data_2kr1_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 2kr1 _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.28 99.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.422 0.689 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.03 86.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.647 0.779 . . . . 0.0 111.466 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -65.43 -40.87 93.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.545 0.738 . . . . 0.0 110.942 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.54 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 m80 -70.97 -33.56 70.56 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.731 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -46.42 88.77 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.154 0.582 . . . . 0.0 109.555 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.48 -37.46 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.337 1.055 . . . . 0.0 110.429 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.44 -24.95 62.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.91 0.884 . . . . 0.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 86.0 mtt180 -77.69 -34.36 52.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.743 0.417 . . . . 0.0 110.309 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -68.16 -41.65 81.21 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 123.767 0.667 . . . . 0.0 110.215 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.0 -41.96 94.93 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.886 0.874 . . . . 0.0 110.085 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.66 -36.81 84.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.904 0.882 . . . . 0.0 109.59 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.01 -38.7 86.99 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.126 0.892 . . . . 0.0 111.228 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.3 -41.36 25.06 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.3 p -78.27 -59.74 2.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.22 0.464 . . . . 0.0 111.799 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -101.77 -22.02 14.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.185 0.594 . . . . 0.0 111.849 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.26 -144.62 17.32 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 122.913 0.292 . . . . 0.0 112.85 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' OD1' ' A' ' 23' ' ' ASN . 20.1 p -131.93 9.38 4.53 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.42 0.688 . . . . 0.0 111.701 177.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.5 -42.14 2.92 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 114.589 0.595 . . . . 0.0 114.589 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.546 ' OD1' ' SG ' ' A' ' 21' ' ' CYS . 32.3 p-10 -72.13 138.89 48.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.804 0.441 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.29 -43.69 73.32 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 75.79 10.21 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.668 0.747 . . . . 0.0 110.484 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.4 t -134.68 122.4 22.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.417 172.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -116.53 69.85 0.75 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 123.144 1.449 . . . . 0.0 108.897 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -127.92 113.6 16.09 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.42 -26.55 68.5 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.348 0.659 . . . . 0.0 111.915 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -87.39 23.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.027 0.931 . . . . 0.0 111.259 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 52.6 t -146.84 138.28 24.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 122.926 0.491 . . . . 0.0 111.83 -170.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 165.32 23.93 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.841 1.256 . . . . 0.0 109.145 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 72.14 3.71 4.77 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.74 1.216 . . . . 0.0 111.018 -168.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 24.8 m -109.38 143.78 28.46 Favored Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 124.754 1.221 . . . . 0.0 108.878 175.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.15 -32.37 93.18 Favored 'Trans proline' 0 C--N 1.379 2.162 0 C-N-CA 123.325 2.683 . . . . 0.0 113.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -81.84 1.06 36.62 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.61 1.164 . . . . 0.0 113.437 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 72.1 t80 -84.08 133.77 34.63 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.632 . . . . 0.0 111.617 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -103.49 127.51 50.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -58.7 108.44 0.65 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.253 1.021 . . . . 0.0 111.876 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 23.2 ptp -101.95 168.89 9.12 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.044 0.938 . . . . 0.0 110.399 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.96 165.18 25.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.987 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.57 -26.03 62.44 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.8 0.44 . . . . 0.0 111.588 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.12 -44.22 72.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.32 71.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.04 0.936 . . . . 0.0 111.389 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.61 -35.21 75.06 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.141 0.976 . . . . 0.0 110.524 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.86 60.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.97 -49.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.432 0.693 . . . . 0.0 109.784 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.4 -23.19 58.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.45 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.68 94.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.054 0.541 . . . . 0.0 110.277 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.51 -36.87 79.47 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.01 0.819 . . . . 0.0 112.168 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -62.59 -55.35 27.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.658 0.383 . . . . 0.0 110.767 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.61 -27.1 68.15 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.291 0.995 . . . . 0.0 111.505 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.74 -53.52 21.42 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.004 0.522 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -69.88 -35.2 74.47 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.611 0.569 . . . . 0.0 110.944 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.24 -17.38 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.816 0.446 . . . . 0.0 110.587 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 57.44 65.73 1.29 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.817 1.247 . . . . 0.0 110.339 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.67 -165.97 1.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.416 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -69.95 96.53 1.04 Allowed 'General case' 0 C--O 1.243 0.75 0 C-N-CA 123.323 0.649 . . . . 0.0 110.309 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.6 tp -91.27 140.44 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 173.182 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.81 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.745 0.818 . . . . 0.0 111.272 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.62 82.74 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.983 0.802 . . . . 0.0 110.807 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.26 -29.21 67.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.595 0.758 . . . . 0.0 112.138 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -69.39 -32.97 72.33 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.578 0.549 . . . . 0.0 110.434 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.64 -44.05 44.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.499 0.72 . . . . 0.0 110.9 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.79 -39.35 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.09 0.556 . . . . 0.0 109.768 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.71 -48.75 77.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.508 1.523 . . . . 0.0 111.136 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.514 ' HE ' HD22 ' A' ' 59' ' ' LEU . 84.7 mtm-85 -74.77 -31.67 61.84 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -76.21 -40.35 52.41 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.992 0.517 . . . . 0.0 110.427 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -58.15 -51.84 68.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.02 0.928 . . . . 0.0 111.027 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -76.53 -20.94 56.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.89 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.74 -35.76 80.84 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.086 0.47 . . . . 0.0 110.527 169.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 48' ' ' LYS . 54.7 mt -89.74 -40.28 12.61 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 112.467 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -77.41 -53.75 7.27 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.918 0.487 . . . . 0.0 111.106 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -91.81 -50.89 5.49 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.654 0.74 . . . . 0.0 110.161 -175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.68 -116.84 5.5 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.719 -172.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -156.05 -1.8 0.13 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.02 0.528 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.43 -33.87 1.8 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.188 0.449 . . . . 0.0 113.828 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -72.01 125.07 26.31 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.47 1.108 . . . . 0.0 111.18 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.65 -40.31 92.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.411 1.084 . . . . 0.0 111.443 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.11 6.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.777 0.831 . . . . 0.0 109.962 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.8 t -135.74 107.9 7.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -84.81 -5.02 59.32 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.573 1.149 . . . . 0.0 113.432 -172.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -82.84 112.35 19.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.903 0.481 . . . . 0.0 110.589 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -22.18 66.86 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.238 1.015 . . . . 0.0 112.037 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -88.53 28.74 1.07 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.71 0.804 . . . . 0.0 111.551 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -139.75 139.23 36.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.338 0.655 . . . . 0.0 109.721 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 163.17 28.32 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m 73.98 3.54 4.45 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.891 1.276 . . . . 0.0 111.178 -169.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.9 m -101.48 139.33 20.32 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.943 0.897 . . . . 0.0 110.03 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.52 -39.12 93.46 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.551 2.834 . . . . 0.0 113.364 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -89.1 8.16 31.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.133 0.973 . . . . 0.0 113.084 -172.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -82.32 139.39 34.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.0 0.52 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.05 118.16 36.45 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.8 125.67 24.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.006 0.816 . . . . 0.0 112.916 -172.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.0 ptp -133.34 119.94 20.35 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 124.088 0.955 . . . . 0.0 108.438 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.33 -174.29 3.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 110.958 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -43.35 -48.52 6.94 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 125.755 1.622 . . . . 0.0 115.198 -161.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.01 -49.25 47.14 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.444 0.565 . . . . 0.0 110.449 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.21 72.0 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 111.949 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.68 -25.77 26.34 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.47 67.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.317 0.647 . . . . 0.0 109.99 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.56 -50.05 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.131 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HB3' HD12 ' A' ' 17' ' ' LEU . 40.7 tptt -70.13 -22.61 62.98 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.115 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.69 89.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.17 0.588 . . . . 0.0 110.322 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 -39.19 91.0 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.308 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.06 -53.6 55.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.615 0.766 . . . . 0.0 111.032 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.28 -22.57 62.85 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.648 0.779 . . . . 0.0 111.439 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -74.04 -50.76 18.28 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 122.545 0.338 . . . . 0.0 110.816 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.79 -33.17 72.01 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -172.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.96 -14.66 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.736 0.415 . . . . 0.0 111.207 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.72 60.99 1.5 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.408 1.083 . . . . 0.0 110.16 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.18 178.71 7.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.047 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.64 105.84 1.64 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.742 0.817 . . . . 0.0 111.17 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HE ' ' A' ' 12' ' ' ARG . 55.0 tp -87.09 136.05 33.07 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.241 0.625 0 C-N-CA 123.244 0.618 . . . . 0.0 112.472 -173.569 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.713 0.292 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.42 74.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.722 0.809 . . . . 0.0 110.704 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.796 0.839 . . . . 0.0 111.305 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -63.25 -44.3 95.57 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.031 0.832 . . . . 0.0 109.537 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.9 m170 -61.5 -35.06 76.63 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.003 0.815 . . . . 0.0 111.257 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -37.04 73.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.951 0.901 . . . . 0.0 110.002 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.23 -38.08 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.671 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 36.1 mm-40 -65.59 -30.85 71.64 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.583 0.753 . . . . 0.0 111.783 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.7 mmp_? -66.8 -47.34 72.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.1 -36.29 81.64 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.315 1.009 . . . . 0.0 111.838 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.29 -49.83 57.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.754 0.422 . . . . 0.0 110.171 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -64.51 -29.16 70.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.66 0.784 . . . . 0.0 110.16 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 25.5 tt0 -64.25 -40.22 95.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.735 0.814 . . . . 0.0 110.643 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.02 -48.49 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.537 0.735 . . . . 0.0 112.172 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 p -82.81 -29.9 29.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.062 0.545 . . . . 0.0 112.253 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -117.95 -54.96 2.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.42 . . . . 0.0 111.339 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.1 -141.39 16.95 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.751 -172.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 p -141.36 2.28 1.65 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.273 1.029 . . . . 0.0 112.005 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.03 -33.07 6.02 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.881 -0.399 . . . . 0.0 112.383 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -51.14 118.62 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.477 1.111 . . . . 0.0 112.042 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.12 -47.21 83.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.95 104.05 13.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.25 1.02 . . . . 0.0 109.635 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -141.28 134.63 29.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.542 1.137 . . . . 0.0 108.179 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -114.55 83.55 1.91 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.17 0.988 . . . . 0.0 109.404 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -155.11 125.5 6.81 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.468 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.01 -16.83 63.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.889 1.276 . . . . 0.0 112.569 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.83 -0.09 31.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.701 0.8 . . . . 0.0 112.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.0 t -107.59 138.21 44.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.724 0.41 . . . . 0.0 110.114 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -72.73 149.07 44.06 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.926 0.49 . . . . 0.0 110.988 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m 74.91 4.33 4.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.326 1.45 . . . . 0.0 112.355 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 83.7 m -85.53 150.93 55.08 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.65 0.78 . . . . 0.0 110.343 175.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.99 -46.94 30.35 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 123.509 2.806 . . . . 0.0 114.021 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.0 p -89.31 16.06 8.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.91 0.884 . . . . 0.0 112.575 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 69.6 t80 -110.44 146.99 34.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.31 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.2 138.43 51.71 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.598 1.159 . . . . 0.0 108.761 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 21.8 mmt180 -68.02 117.11 9.45 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.668 0.605 . . . . 0.0 110.845 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.406 ' SD ' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.22 164.55 13.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.703 0.801 . . . . 0.0 110.672 175.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.05 162.75 18.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.796 0.839 . . . . 0.0 109.789 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -63.54 -37.01 85.68 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.996 0.519 . . . . 0.0 111.3 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -74.47 -35.74 63.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.616 0.766 . . . . 0.0 110.328 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.7 81.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.25 0.62 . . . . 0.0 110.532 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.36 -29.77 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 110.701 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -49.93 65.47 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.738 0.649 . . . . 0.0 110.258 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.0 -48.7 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.622 0.769 . . . . 0.0 110.058 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 50.1 tptt -63.44 -36.31 83.31 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.918 0.761 . . . . 0.0 110.582 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.94 98.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.413 0.685 . . . . 0.0 110.965 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -37.04 80.64 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.357 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.84 -40.39 72.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.623 0.369 . . . . 0.0 111.263 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 83.5 mt -70.49 -28.23 64.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.183 0.593 . . . . 0.0 110.726 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -69.67 -53.96 16.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.159 0.584 . . . . 0.0 110.474 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.57 -40.96 98.54 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.338 0.655 . . . . 0.0 111.846 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 pt -81.81 -20.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.874 0.47 . . . . 0.0 110.962 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 m120 56.28 73.64 0.43 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.767 1.227 . . . . 0.0 110.32 -170.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.74 -167.19 1.03 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.959 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.03 95.61 0.73 Allowed 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -78.72 131.78 36.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.387 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 C--O 1.245 0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.578 -177.499 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.73 87.35 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.392 0.677 . . . . 0.0 111.051 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.463 ' HB1' ' OH ' ' A' ' 53' ' ' TYR . . . -75.09 -26.03 58.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.797 1.239 . . . . 0.0 111.653 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -74.12 -52.62 11.99 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.514 1.126 . . . . 0.0 108.501 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 23.1 m-70 -70.42 -22.73 62.7 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.207 178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -43.1 92.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.176 0.99 . . . . 0.0 109.091 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.12 -35.2 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.446 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.35 -26.17 65.46 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.633 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.2 mmp_? -71.28 -42.78 68.3 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' A' ' 53' ' ' TYR . 41.5 m-85 -63.94 -49.19 73.58 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.499 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.6 -39.13 76.15 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.712 0.805 . . . . 0.0 110.229 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.82 -42.84 97.56 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 124.204 0.94 . . . . 0.0 109.933 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -69.31 -25.87 64.44 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.75 0.656 . . . . 0.0 111.603 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.502 HD22 HD12 ' A' ' 52' ' ' LEU . 2.5 mm? -87.26 -31.21 20.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.563 0.345 . . . . 0.0 111.883 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.0 p -87.96 -52.39 5.3 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 117.891 0.314 . . . . 0.0 111.554 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.58 -31.99 7.29 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.699 0.8 . . . . 0.0 112.433 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 -108.11 3.64 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -171.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.1 p -150.29 10.17 0.67 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.065 0.946 . . . . 0.0 110.473 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.03 -49.33 1.96 Allowed Glycine 0 C--N 1.355 1.585 0 C-N-CA 122.869 0.271 . . . . 0.0 112.693 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -66.15 116.5 7.3 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.414 0.686 . . . . 0.0 111.043 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -33.99 68.25 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.506 0.723 . . . . 0.0 111.224 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 48.76 1.69 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.479 1.111 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 42.4 t -102.64 124.28 47.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.819 1.247 . . . . 0.0 110.09 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.4 p -82.95 31.12 0.43 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.171 0.989 . . . . 0.0 112.868 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -112.36 113.29 25.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.537 1.135 . . . . 0.0 108.179 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HA ' ' HG1' ' A' ' 36' ' ' THR . 0.4 OUTLIER -69.14 -23.48 63.97 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.209 1.004 . . . . 0.0 112.461 -179.335 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -90.05 23.03 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.497 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -126.76 126.03 42.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.426 0.69 . . . . 0.0 110.678 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -70.7 162.0 29.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.504 0.722 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t 71.35 1.13 3.72 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 124.957 1.303 . . . . 0.0 111.325 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 36.1 m -99.65 144.78 28.95 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 122.97 0.508 . . . . 0.0 109.753 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.37 -5.7 17.29 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.85 2.367 . . . . 0.0 112.26 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 ' HG1' ' HA ' ' A' ' 29' ' ' GLU . 40.5 p -101.08 12.62 37.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.644 1.178 . . . . 0.0 111.511 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 78.1 t80 -120.62 156.1 32.37 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.659 0.784 . . . . 0.0 110.069 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.2 tp -115.24 111.94 21.7 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.567 1.147 . . . . 0.0 108.311 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -56.02 139.35 47.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 0.0 111.216 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -130.86 165.59 22.71 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.955 0.902 . . . . 0.0 110.146 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.6 162.4 25.97 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.033 0.933 . . . . 0.0 110.359 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -60.79 -40.79 93.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.855 0.862 . . . . 0.0 111.748 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -70.57 -39.24 74.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.884 0.474 . . . . 0.0 110.125 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.31 71.95 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.392 0.677 . . . . 0.0 110.863 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -28.82 60.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.223 1.009 . . . . 0.0 110.442 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -36.91 63.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.829 0.852 . . . . 0.0 111.047 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.5 -49.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.566 0.746 . . . . 0.0 109.827 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -67.65 -34.38 76.83 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.632 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.36 93.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.457 0.703 . . . . 0.0 110.622 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -36.72 66.6 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 124.293 0.996 . . . . 0.0 110.719 -178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 68.8 mm-40 -59.82 -55.38 34.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.53 0.732 . . . . 0.0 110.141 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD12 HD22 ' A' ' 17' ' ' LEU . 73.6 mt -67.22 -26.35 66.55 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.107 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.463 ' OH ' ' HB1' ' A' ' 6' ' ' ALA . 48.4 t80 -65.79 -54.53 25.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.288 0.635 . . . . 0.0 111.061 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 21.2 pttp -71.07 -28.03 64.06 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.748 0.655 . . . . 0.0 111.769 -171.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.6 pt -89.29 -14.56 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.655 0.382 . . . . 0.0 111.57 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 68.26 0.84 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.757 1.223 . . . . 0.0 110.957 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.28 -179.94 6.0 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.838 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.85 117.14 11.98 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.256 1.023 . . . . 0.0 111.762 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.92 145.57 26.89 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 110.555 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.237 0.405 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.692 166.84 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.314 0.102 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.41 75.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.337 0.655 . . . . 0.0 111.501 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.49 44.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.669 0.788 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -59.55 -46.2 89.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.688 0.795 . . . . 0.0 110.728 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.587 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 55.9 m-70 -72.36 -23.72 61.17 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.495 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -46.71 64.59 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.135 0.574 . . . . 0.0 109.613 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.86 -36.23 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.986 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.1 -35.54 77.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.84 1.256 . . . . 0.0 111.223 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 91.0 mtt180 -71.59 -39.45 70.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 123.575 0.547 . . . . 0.0 111.507 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -67.93 -38.24 82.64 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.857 0.723 . . . . 0.0 111.195 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -68.42 -47.68 66.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.374 0.67 . . . . 0.0 109.931 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -61.07 -35.46 77.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.25 1.02 . . . . 0.0 110.263 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.76 -44.85 96.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.013 0.925 . . . . 0.0 111.367 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -79.66 -43.84 22.03 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 123.641 0.588 . . . . 0.0 112.442 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.2 p -84.54 -59.96 2.21 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.016 0.526 . . . . 0.0 111.541 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -79.56 -42.08 25.84 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.36 0.664 . . . . 0.0 110.867 -172.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.07 -153.88 22.12 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.417 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -132.59 2.9 3.82 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.833 0.853 . . . . 0.0 111.96 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.16 -34.73 2.17 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.54 137.97 57.85 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.481 1.113 . . . . 0.0 112.293 -173.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.91 -74.85 0.05 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.762 1.225 . . . . 0.0 111.681 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.32 78.48 3.07 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.21 0.529 . . . . 0.0 110.001 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 12.3 t -82.12 127.31 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.201 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -92.55 56.33 2.68 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.744 0.818 . . . . 0.0 112.23 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -155.88 120.13 4.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.177 0.591 . . . . 0.0 109.794 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -38.45 78.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.02 0.928 . . . . 0.0 112.033 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -88.9 62.17 6.24 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.798 0.839 . . . . 0.0 110.225 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.1 t -165.6 132.37 2.78 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.677 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 159.45 34.57 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m 75.32 10.7 3.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.703 1.252 . . . . 0.0 110.88 -162.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.9 m -114.44 133.59 22.45 Favored Pre-proline 0 C--O 1.243 0.712 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 167.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.4 -20.33 61.36 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.72 2.28 . . . . 0.0 112.227 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -72.58 -24.24 61.07 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.323 1.049 . . . . 0.0 111.651 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -78.05 122.44 25.58 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.409 0.443 . . . . 0.0 110.494 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.27 127.28 32.54 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -62.13 106.72 0.76 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.649 0.593 . . . . 0.0 110.631 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptm -95.62 169.46 10.02 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.644 1.178 . . . . 0.0 109.767 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.29 162.95 28.76 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.404 0.682 . . . . 0.0 109.964 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -65.18 -37.82 88.57 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.117 0.967 . . . . 0.0 111.11 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -67.39 -42.92 82.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.203 0.601 . . . . 0.0 109.827 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.71 89.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.623 1.202 . . . . 0.0 111.081 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.34 -27.09 60.53 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.002 0.921 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.43 64.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.211 0.604 . . . . 0.0 110.639 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.4 mm -63.95 -50.36 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptm -70.48 -22.12 62.7 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.561 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.12 94.95 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.699 0.4 . . . . 0.0 110.06 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.84 -35.09 74.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.16 0.913 . . . . 0.0 111.867 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HA ' ' HZ1' ' A' ' 54' ' ' LYS . 18.9 mm-40 -66.01 -58.07 6.33 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.8 mt -60.21 -26.23 66.22 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.286 0.991 . . . . 0.0 111.535 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.13 -57.03 9.63 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.38 0.672 . . . . 0.0 110.754 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HZ1' ' HA ' ' A' ' 51' ' ' GLU . 20.5 pttm -75.43 -33.37 60.92 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.469 0.481 . . . . 0.0 111.641 -172.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 pt -81.42 -7.39 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.516 0.326 . . . . 0.0 110.74 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.8 m120 58.78 53.62 5.75 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 124.784 1.234 . . . . 0.0 110.88 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.7 -174.08 2.86 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.534 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -70.51 105.71 3.18 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.943 -172.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.37 136.28 37.64 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.443 0.697 . . . . 0.0 109.833 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 124.921 1.289 . . . . 0.0 109.226 178.143 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.43 0.157 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.41 80.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.057 0.543 . . . . 0.0 110.743 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.51 74.72 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.954 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.35 -39.53 78.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.345 1.058 . . . . 0.0 110.28 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.555 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 m-70 -64.18 -40.8 96.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 173.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.03 98.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.447 0.699 . . . . 0.0 110.161 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.02 -36.41 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.626 0.771 . . . . 0.0 110.384 173.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -64.6 -32.21 73.76 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.912 0.885 . . . . 0.0 110.217 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 40.6 mtp85 -75.01 -38.2 61.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.33 0.652 . . . . 0.0 110.454 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.13 -41.35 94.91 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.455 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -66.76 -39.03 87.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.237 0.615 . . . . 0.0 109.776 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.16 -41.01 91.89 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 124.473 1.108 . . . . 0.0 109.153 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.11 -44.07 97.92 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.125 0.891 . . . . 0.0 111.632 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.64 -37.71 79.9 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.065 0.393 . . . . 0.0 111.885 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 p -89.83 -65.91 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.73 -46.49 12.2 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.546 0.738 . . . . 0.0 110.908 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.64 -109.26 3.78 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -173.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -153.36 2.37 0.28 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.644 0.778 . . . . 0.0 112.101 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -31.54 4.94 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.255 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -52.41 136.58 31.25 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.402 1.081 . . . . 0.0 112.765 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -73.47 -57.79 3.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.821 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.03 101.28 13.61 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.817 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.4 t -136.77 115.64 12.24 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.076 0.95 . . . . 0.0 109.043 173.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -91.12 59.02 3.88 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 122.746 1.26 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.23 120.23 21.91 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.545 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.78 -26.55 66.15 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.391 1.476 . . . . 0.0 113.139 -173.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.62 5.97 45.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.771 0.829 . . . . 0.0 112.022 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -104.57 134.54 47.56 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.92 0.488 . . . . 0.0 110.855 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.7 158.98 31.62 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.532 0.733 . . . . 0.0 109.735 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 m 65.31 17.08 10.86 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 124.186 0.929 . . . . 0.0 111.286 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 35.7 m -112.03 146.13 34.19 Favored Pre-proline 0 C--N 1.364 1.222 0 C-N-CA 123.356 0.662 . . . . 0.0 109.826 173.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -10.02 26.44 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.714 2.276 . . . . 0.0 112.986 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.2 p -95.68 4.84 52.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.245 1.018 . . . . 0.0 111.801 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -131.59 137.53 48.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.039 0.536 . . . . 0.0 109.831 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.61 160.63 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.829 0.852 . . . . 0.0 110.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -69.91 126.64 30.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.724 0.81 . . . . 0.0 110.225 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -168.9 1.5 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.424 1.089 . . . . 0.0 111.056 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.11 160.37 15.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 0.0 109.018 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.21 -40.48 81.71 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.114 0.966 . . . . 0.0 112.06 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -70.03 -38.77 75.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.539 0.736 . . . . 0.0 110.278 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.2 77.5 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.441 0.697 . . . . 0.0 111.147 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.64 77.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.726 0.81 . . . . 0.0 110.549 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -47.08 68.84 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.341 0.657 . . . . 0.0 111.727 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.89 -49.8 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.213 0.605 . . . . 0.0 109.771 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.7 tptm -67.44 -28.77 68.16 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.672 0.607 . . . . 0.0 110.715 -175.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.3 89.83 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.957 0.503 . . . . 0.0 110.561 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.37 -38.0 80.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -60.13 -55.14 37.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.061 0.544 . . . . 0.0 109.92 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 76.6 mt -61.7 -32.22 72.41 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.084 0.954 . . . . 0.0 111.727 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -64.25 -56.44 14.61 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 123.742 0.651 . . . . 0.0 110.528 175.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.56 -16.46 57.41 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 pt -93.74 -15.06 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.233 0.47 . . . . 0.0 110.43 174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.75 68.19 0.66 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.299 1.04 . . . . 0.0 110.061 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.14 176.58 7.52 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.434 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -69.61 100.41 1.45 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.182 0.993 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -84.16 130.58 34.83 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.521 0.728 . . . . 0.0 109.617 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 123.76 0.824 . . . . 0.0 111.167 -175.417 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.732 0.301 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.0 89.48 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.804 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.4 84.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.415 1.086 . . . . 0.0 111.424 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.67 -50.33 73.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.364 1.066 . . . . 0.0 110.831 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 5.7 m-70 -67.23 -31.46 71.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.483 -177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -46.17 80.69 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.336 0.654 . . . . 0.0 110.427 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.68 -38.95 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 O-C-N 123.788 0.68 . . . . 0.0 110.084 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.7 -28.81 65.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.594 0.757 . . . . 0.0 112.379 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 3.7 mmp_? -69.55 -45.49 68.64 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.896 0.479 . . . . 0.0 110.163 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -65.86 -40.88 92.11 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.582 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -61.27 -45.04 96.15 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.655 0.782 . . . . 0.0 110.61 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -58.95 -36.49 74.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.496 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.39 -30.12 68.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.346 0.658 . . . . 0.0 112.065 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.59 -38.16 17.4 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 118.567 0.621 . . . . 0.0 112.035 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -76.46 -41.29 47.8 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 120.928 0.394 . . . . 0.0 111.773 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.96 -57.05 2.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.586 0.754 . . . . 0.0 109.969 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.54 -120.76 4.62 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.85 2.9 0.53 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.169 0.588 . . . . 0.0 111.852 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.79 3.11 Favored Glycine 0 N--CA 1.475 1.235 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 105.21 0.36 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.29 1.036 . . . . 0.0 110.168 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.99 -34.47 64.21 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 61.9 7.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.898 0.879 . . . . 0.0 109.289 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 36.1 t -113.86 119.01 35.82 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.993 0.917 . . . . 0.0 109.968 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -87.27 58.75 5.17 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.708 0.803 . . . . 0.0 111.603 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -142.71 113.1 7.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.171 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HA ' ' HG1' ' A' ' 36' ' ' THR . 12.4 pt-20 -63.91 -27.02 68.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.333 1.053 . . . . 0.0 111.563 176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.3 37.48 0.82 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.669 1.187 . . . . 0.0 110.575 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -153.48 139.84 18.61 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.828 0.451 . . . . 0.0 110.48 -172.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.04 163.63 19.77 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.17 0.988 . . . . 0.0 109.923 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.9 m 70.87 1.51 3.79 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.342 1.457 . . . . 0.0 111.198 -172.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 56.2 m -93.13 146.75 32.53 Favored Pre-proline 0 C--N 1.358 0.952 0 C-N-CA 123.704 0.802 . . . . 0.0 109.947 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.07 -31.14 92.39 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.34 2.693 . . . . 0.0 112.18 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.478 ' HG1' ' HA ' ' A' ' 29' ' ' GLU . 46.1 p -87.26 14.17 8.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.88 1.272 . . . . 0.0 112.549 -176.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.66 135.53 46.92 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.849 0.459 . . . . 0.0 110.333 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.42 145.69 34.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -65.17 115.84 5.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.982 0.513 . . . . 0.0 110.761 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 ptm -111.72 161.45 16.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.652 1.181 . . . . 0.0 108.612 173.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.37 167.51 20.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.238 0.615 . . . . 0.0 110.92 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.31 -32.21 66.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.41 -34.92 68.21 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.134 0.573 . . . . 0.0 110.139 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.53 75.05 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.238 0.615 . . . . 0.0 110.608 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.94 60.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.382 1.073 . . . . 0.0 110.585 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.84 69.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.555 0.742 . . . . 0.0 110.586 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.54 -46.72 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.656 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.6 tptt -66.88 -31.26 71.75 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 124.019 0.824 . . . . 0.0 110.97 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.17 92.81 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.624 0.77 . . . . 0.0 110.65 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.05 -34.14 72.86 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.99 0.806 . . . . 0.0 111.715 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 19.8 mm-40 -58.98 -53.6 56.53 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.346 0.658 . . . . 0.0 110.089 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 28.1 mt -73.29 -25.07 60.51 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.211 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -64.93 -51.46 61.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.678 0.611 . . . . 0.0 110.875 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 22.6 pttp -75.89 -35.71 59.74 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.718 -173.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.7 pt -85.03 -12.85 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.316 0.247 . . . . 0.0 110.864 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 57.55 57.93 4.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.638 1.175 . . . . 0.0 110.252 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.48 178.74 4.43 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.947 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -62.08 99.09 0.12 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.408 1.083 . . . . 0.0 111.382 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 12' ' ' ARG . 30.8 tp -91.58 125.31 36.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.75 75.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.415 0.686 . . . . 0.0 110.511 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.73 75.54 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.634 0.773 . . . . 0.0 110.466 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.26 -41.58 96.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.603 0.761 . . . . 0.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.531 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.1 m80 -68.18 -33.32 74.23 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.994 0.808 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.39 72.96 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.26 -34.59 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.97 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -62.65 -42.56 99.67 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.151 0.98 . . . . 0.0 109.294 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 97.4 mtt180 -68.62 -33.69 74.46 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.793 0.683 . . . . 0.0 111.489 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -71.39 -42.53 68.27 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.609 0.364 . . . . 0.0 111.067 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.54 -39.68 81.02 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.405 0.682 . . . . 0.0 110.331 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.91 -41.42 97.68 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.581 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 8.1 tt0 -60.48 -36.5 78.43 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 124.271 0.982 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.48 -43.75 47.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.961 0.504 . . . . 0.0 111.956 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -80.02 -58.58 3.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.204 0.602 . . . . 0.0 111.696 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.48 -44.94 6.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.361 1.064 . . . . 0.0 110.805 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.74 -111.29 4.21 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.031 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -158.49 8.42 0.14 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.541 0.736 . . . . 0.0 111.824 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.51 -32.6 3.6 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.756 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.519 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 2.4 m-20 -55.36 111.1 0.8 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.387 1.075 . . . . 0.0 112.674 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.42 -54.71 19.89 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.141 1.376 . . . . 0.0 112.145 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.27 48.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.532 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.6 t -69.18 140.28 54.63 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -114.95 78.47 1.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 122.194 0.997 . . . . 0.0 110.321 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -162.77 121.07 2.08 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.289 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.02 -15.49 63.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.318 1.047 . . . . 0.0 112.378 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.37 14.63 29.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.936 0.894 . . . . 0.0 111.511 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 41.8 t -128.79 136.27 50.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.251 0.62 . . . . 0.0 110.235 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.04 160.59 31.07 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 123.604 0.761 . . . . 0.0 109.259 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t 67.88 12.54 8.87 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 124.392 1.058 . . . . 0.0 110.857 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 60.4 m -101.35 140.32 21.16 Favored Pre-proline 0 C--N 1.357 0.906 0 C-N-CA 123.594 0.757 . . . . 0.0 109.114 168.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -64.44 -28.99 62.42 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.944 2.43 . . . . 0.0 112.254 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -85.24 -2.42 58.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.076 0.95 . . . . 0.0 112.964 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -78.82 125.63 29.63 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.545 0.338 . . . . 0.0 110.896 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.48 118.76 26.11 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.89 155.93 37.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.281 0.562 . . . . 0.0 110.746 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.04 169.41 17.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.406 -165.207 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -87.14 166.95 14.59 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.119 168.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -64.38 -35.55 81.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.229 0.612 . . . . 0.0 111.519 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -70.91 -41.51 71.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.996 0.518 . . . . 0.0 109.923 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.97 85.04 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.068 0.855 . . . . 0.0 111.006 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.588 ' HB3' ' SD ' ' A' ' 40' ' ' MET . . . -72.63 -35.45 67.8 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.084 0.954 . . . . 0.0 110.873 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.35 69.33 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.164 0.586 . . . . 0.0 110.691 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.38 -51.18 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.824 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptp -60.32 -41.07 92.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.272 0.983 . . . . 0.0 110.531 -173.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.23 99.2 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.449 0.7 . . . . 0.0 111.129 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.9 -36.1 81.5 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.887 0.742 . . . . 0.0 111.466 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 55' ' ' ILE . 38.9 mm-40 -68.22 -45.06 74.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.71 0.404 . . . . 0.0 110.43 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 86.9 mt -66.42 -28.44 68.62 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.634 0.774 . . . . 0.0 110.887 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -71.87 -49.52 37.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.431 0.693 . . . . 0.0 111.354 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -71.88 -34.05 68.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.036 0.535 . . . . 0.0 111.712 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 51' ' ' GLU . 18.6 pt -84.39 -18.73 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.571 0.349 . . . . 0.0 110.78 176.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 59.97 69.78 0.68 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.538 1.135 . . . . 0.0 109.561 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.95 -170.34 2.97 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.471 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -66.53 96.52 0.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 110.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.2 tp -86.87 105.52 17.11 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 123.881 0.872 . . . . 0.0 109.298 -178.301 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.09 71.82 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.903 0.881 . . . . 0.0 112.215 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.84 73.07 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.544 0.528 . . . . 0.0 110.483 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.426 ' HD3' HD11 ' A' ' 10' ' ' ILE . 72.2 mmtt -71.65 -26.88 62.73 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.326 1.05 . . . . 0.0 111.31 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.8 m170 -70.66 -37.7 73.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.992 0.517 . . . . 0.0 110.279 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -35.34 69.43 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.076 0.86 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.426 HD11 ' HD3' ' A' ' 7' ' ' LYS . 96.6 mt -64.38 -40.58 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.865 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -66.39 -30.49 70.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.908 0.883 . . . . 0.0 110.367 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.55 ' HB3' HD13 ' A' ' 59' ' ' LEU . 5.6 mmp_? -63.4 -48.89 75.96 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -74.6 -32.57 62.4 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.796 0.685 . . . . 0.0 112.46 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -73.65 -48.79 29.72 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.674 0.39 . . . . 0.0 110.136 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -68.25 -23.9 64.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.201 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.08 -36.31 82.85 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.534 0.734 . . . . 0.0 110.57 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.82 -25.31 32.8 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -85.92 -54.65 4.37 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -120.66 -26.9 5.2 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.177 0.591 . . . . 0.0 111.855 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.97 -110.98 3.95 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 173.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -137.62 12.13 2.95 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.498 1.119 . . . . 0.0 109.092 170.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.38 -56.67 5.03 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 122.829 0.252 . . . . 0.0 113.265 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.35 128.44 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.964 0.906 . . . . 0.0 111.726 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' SER . 14.0 pt-20 -78.89 -20.13 50.22 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.62 72.25 7.54 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 170.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 38.6 t -144.95 116.13 7.93 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.663 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -75.44 -19.88 59.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.122 0.969 . . . . 0.0 112.592 -176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -67.38 110.23 3.49 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.264 0.626 . . . . 0.0 110.316 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -13.4 60.08 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.344 1.058 . . . . 0.0 112.536 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -91.35 19.67 5.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.924 0.89 . . . . 0.0 110.48 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.9 122.42 28.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.257 1.023 . . . . 0.0 108.432 -174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 158.98 26.44 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.006 0.922 . . . . 0.0 111.064 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 43.8 m 70.58 2.74 4.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.033 1.333 . . . . 0.0 111.971 -170.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 66.5 m -88.23 141.79 31.19 Favored Pre-proline 0 C--N 1.356 0.883 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 169.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.81 -5.64 17.56 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.049 2.499 . . . . 0.0 113.355 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -99.34 -15.95 18.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.071 0.948 . . . . 0.0 112.227 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -75.37 140.15 42.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.393 0.677 . . . . 0.0 110.835 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt -111.87 142.9 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.42 0.688 . . . . 0.0 109.67 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -63.64 151.29 42.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.924 0.889 . . . . 0.0 111.989 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.7 ptp -141.28 156.37 45.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.299 0.64 . . . . 0.0 109.778 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.5 162.66 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.229 1.012 . . . . 0.0 110.03 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -51.26 -49.77 60.51 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.633 1.173 . . . . 0.0 111.566 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -72.28 -37.91 68.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.179 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.18 75.2 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.037 0.535 . . . . 0.0 111.14 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.25 63.11 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.994 0.918 . . . . 0.0 110.493 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.42 92.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.231 0.612 . . . . 0.0 110.854 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -64.61 -54.34 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.023 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 55.9 tptt -63.68 -29.26 70.51 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.916 0.76 . . . . 0.0 111.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.54 77.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.513 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.69 -28.76 67.14 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.542 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.92 -49.88 64.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.901 0.481 . . . . 0.0 110.259 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 93.9 mt -66.54 -26.42 67.14 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.617 0.767 . . . . 0.0 111.032 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.85 -49.88 27.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 0.0 111.231 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.76 -37.7 76.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.92 0.488 . . . . 0.0 111.399 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.47 -18.29 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 122.943 0.497 . . . . 0.0 110.948 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 58.65 69.73 0.71 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 124.553 1.141 . . . . 0.0 109.661 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.43 -175.23 3.67 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.258 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -64.67 95.77 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.128 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 12' ' ' ARG . 34.7 tp -83.62 121.0 26.66 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.813 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.24 0.599 0 C-N-CA 123.415 0.686 . . . . 0.0 110.967 -173.188 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.563 0.221 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.99 70.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.378 0.671 . . . . 0.0 111.534 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.21 67.28 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.635 0.774 . . . . 0.0 109.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -56.73 -52.36 65.28 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.54 1.15 . . . . 0.0 110.74 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -57.83 -46.15 85.14 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.207 0.942 . . . . 0.0 111.323 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.54 -38.96 81.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.787 0.68 . . . . 0.0 112.096 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.12 -39.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -65.36 -35.49 81.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.932 0.893 . . . . 0.0 111.692 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.6 mmp_? -66.55 -47.32 73.22 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.726 0.81 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -74.02 -33.55 63.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 0.0 111.677 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.72 -47.29 66.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.012 0.525 . . . . 0.0 110.012 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.48 -33.59 76.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.836 0.854 . . . . 0.0 110.192 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -57.77 -46.63 84.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.347 1.029 . . . . 0.0 110.491 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.1 mt -74.05 -51.19 16.57 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.155 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.0 p -73.19 -66.69 0.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.486 0.715 . . . . 0.0 111.556 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -83.1 -38.09 22.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.36 0.664 . . . . 0.0 110.687 -171.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.6 -135.69 12.59 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.074 0.859 . . . . 0.0 111.933 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -149.15 -2.38 0.45 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.54 -35.28 3.04 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.806 -0.441 . . . . 0.0 113.702 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.76 122.61 12.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.946 1.298 . . . . 0.0 111.949 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.58 -45.24 65.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.359 1.064 . . . . 0.0 111.783 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.71 1.23 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.757 0.789 . . . . 0.0 109.986 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.3 t -75.75 113.45 13.22 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.957 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.1 p -86.17 42.19 0.97 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.118 0.967 . . . . 0.0 111.922 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -141.31 106.66 5.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -23.39 64.32 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.999 0.92 . . . . 0.0 112.548 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -88.23 39.14 0.89 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.803 0.841 . . . . 0.0 110.623 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -147.26 133.44 19.4 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.249 0.62 . . . . 0.0 109.438 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.12 156.11 38.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.27 0.628 . . . . 0.0 110.712 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 m 73.44 4.13 4.74 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.281 1.432 . . . . 0.0 112.222 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 75.5 m -92.91 134.35 27.56 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 166.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.77 -14.62 42.23 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.955 2.437 . . . . 0.0 112.508 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -80.05 -23.34 41.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.629 1.172 . . . . 0.0 111.495 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -89.36 118.77 29.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.345 0.658 . . . . 0.0 110.072 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -89.35 138.04 31.79 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -71.13 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.171 0.51 . . . . 0.0 111.561 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -173.32 4.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.0 -168.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.11 164.3 13.12 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.718 0.807 . . . . 0.0 110.665 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.44 -33.72 71.63 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.175 0.99 . . . . 0.0 112.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.453 ' O ' HG12 ' A' ' 47' ' ' ILE . 90.4 m-20 -69.98 -47.21 63.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.289 0.635 . . . . 0.0 110.299 177.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.93 73.29 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.79 0.836 . . . . 0.0 111.403 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.27 87.02 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.878 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.09 87.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.428 0.691 . . . . 0.0 111.572 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 43' ' ' ASN . 50.9 mm -63.79 -55.96 19.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.219 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.72 -24.78 65.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.919 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.46 79.27 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.955 0.502 . . . . 0.0 110.104 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.92 -33.54 73.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.315 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 28.4 mm-40 -64.07 -48.81 74.75 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.424 0.452 . . . . 0.0 110.893 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.83 -29.55 69.5 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.553 0.741 . . . . 0.0 111.287 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -68.91 -51.94 34.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.162 0.585 . . . . 0.0 110.869 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.85 -29.92 66.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.361 0.664 . . . . 0.0 111.953 -171.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.9 pt -88.98 -9.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.989 0.516 . . . . 0.0 111.227 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.453 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.7 OUTLIER 63.06 47.6 4.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.568 1.147 . . . . 0.0 109.979 178.215 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.63 168.84 10.42 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.345 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -58.44 105.43 0.29 Allowed 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.563 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 12' ' ' ARG . 54.9 tp -83.93 140.44 31.94 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.834 175.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.239 0.501 0 C-N-CA 123.239 0.615 . . . . 0.0 109.84 -178.69 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.923 0.392 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.29 83.91 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.989 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.95 79.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.438 0.695 . . . . 0.0 111.155 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.89 -46.34 85.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.629 0.772 . . . . 0.0 110.775 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.58 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.4 m-70 -68.4 -34.1 75.43 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.536 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -45.41 73.58 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.496 0.718 . . . . 0.0 110.293 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.08 -34.54 57.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.103 0.961 . . . . 0.0 110.095 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.42 -38.73 81.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.077 0.951 . . . . 0.0 111.218 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 94.9 mtt180 -69.79 -45.18 68.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.242 0.617 . . . . 0.0 110.125 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -61.27 -39.73 91.49 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.536 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.89 -48.96 78.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.273 0.629 . . . . 0.0 110.314 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -65.1 -22.62 66.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.216 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -73.3 -42.66 62.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.902 0.481 . . . . 0.0 111.602 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD22 HD13 ' A' ' 52' ' ' LEU . 3.4 mm? -78.86 -29.79 44.76 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.263 0.483 . . . . 0.0 112.094 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -84.19 -60.94 1.94 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.49 -40.38 9.91 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.637 0.775 . . . . 0.0 111.209 -172.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -120.75 6.89 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.029 -174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -158.43 14.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.242 0.617 . . . . 0.0 110.865 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.11 -57.84 4.97 Favored Glycine 0 C--N 1.346 1.112 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -174.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.33 108.69 0.4 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.672 1.189 . . . . 0.0 111.569 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -35.92 46.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.565 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.97 56.03 2.98 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.134 0.968 . . . . 0.0 109.365 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.536 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.2 t -100.64 137.37 39.14 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.619 -173.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -84.4 52.31 2.32 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.658 0.742 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -159.89 113.76 2.23 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.295 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.63 -24.84 61.11 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.545 0.738 . . . . 0.0 110.945 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' HB3' HD11 ' A' ' 52' ' ' LEU . 64.5 m-85 -88.49 49.9 1.87 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 0.0 109.247 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.84 129.74 15.28 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.221 1.009 . . . . 0.0 108.754 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.54 160.78 31.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.863 0.465 . . . . 0.0 110.888 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 t 69.45 2.62 3.81 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.668 1.187 . . . . 0.0 111.594 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 45.9 m -95.46 144.24 27.48 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.12 0.568 . . . . 0.0 109.553 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.95 -22.76 35.4 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.879 2.386 . . . . 0.0 112.354 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -84.07 -6.84 59.48 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.339 1.056 . . . . 0.0 112.091 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -86.34 156.74 20.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.211 1.004 . . . . 0.0 110.434 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.24 123.34 40.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 169.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -59.36 154.51 16.63 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.036 0.934 . . . . 0.0 112.215 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.2 ptp -155.29 172.41 18.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.88 0.872 . . . . 0.0 109.602 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.18 159.32 33.21 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.071 0.549 . . . . 0.0 109.767 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -68.77 -24.56 64.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.74 0.416 . . . . 0.0 110.489 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -73.9 -40.09 63.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.521 0.728 . . . . 0.0 110.373 175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.29 69.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.274 0.63 . . . . 0.0 110.593 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.52 -28.79 63.08 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.28 1.032 . . . . 0.0 110.647 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.31 -43.77 66.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.328 0.651 . . . . 0.0 110.85 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.41 -45.69 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.224 0.61 . . . . 0.0 110.169 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HB3' ' HG ' ' A' ' 17' ' ' LEU . 18.8 tptm -70.86 -27.92 64.19 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.676 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.39 94.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.462 0.705 . . . . 0.0 110.575 171.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.79 -30.71 69.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.822 0.701 . . . . 0.0 111.904 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.56 -48.79 71.2 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.936 0.398 . . . . 0.0 110.347 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 30' ' ' PHE . 63.1 mt -69.22 -27.78 65.77 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.92 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.26 -48.23 62.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.184 0.594 . . . . 0.0 110.942 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -69.62 -35.23 75.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.802 0.441 . . . . 0.0 111.502 -174.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -84.24 -16.37 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 122.823 0.449 . . . . 0.0 111.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.77 68.25 0.87 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.723 1.209 . . . . 0.0 109.732 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.98 -170.78 3.26 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.874 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -59.8 102.35 0.15 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.17 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.57 127.85 45.66 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 170.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 121.988 0.899 . . . . 0.0 109.427 177.695 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 119.861 -0.114 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.79 71.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.019 0.928 . . . . 0.0 112.179 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.68 92.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.28 0.632 . . . . 0.0 110.395 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HA ' HD11 ' A' ' 10' ' ' ILE . 37.1 ttpt -75.87 -27.51 57.79 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.909 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.3 m170 -66.0 -35.37 80.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.961 0.504 . . . . 0.0 110.339 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -38.95 64.41 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.967 0.907 . . . . 0.0 110.358 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 7' ' ' LYS . 98.0 mt -57.34 -43.01 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.875 0.734 . . . . 0.0 109.507 168.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.77 -29.03 65.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.155 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 11.2 mmt180 -66.47 -43.57 85.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.356 0.662 . . . . 0.0 110.165 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -70.13 -41.72 73.53 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.871 0.732 . . . . 0.0 111.135 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -59.44 -45.26 92.07 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.315 0.646 . . . . 0.0 110.422 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -67.88 -27.04 66.32 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.282 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 29.0 tt0 -75.01 -38.4 61.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.932 0.493 . . . . 0.0 110.918 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD23 HD13 ' A' ' 52' ' ' LEU . 2.3 mm? -75.15 -24.97 58.02 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 118.258 0.481 . . . . 0.0 111.749 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.6 p -93.28 -57.43 2.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.516 0.327 . . . . 0.0 111.116 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -91.05 -62.17 1.51 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.598 0.759 . . . . 0.0 110.205 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.25 -115.44 2.76 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.594 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -156.81 -0.93 0.12 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.83 -34.13 3.0 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.693 -0.504 . . . . 0.0 114.148 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.71 128.56 37.79 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.801 0.84 . . . . 0.0 110.743 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.54 -71.68 0.13 Allowed 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.345 1.028 . . . . 0.0 111.166 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.92 82.96 7.37 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.381 0.61 . . . . 0.0 109.667 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.5 t -110.16 108.16 18.22 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.382 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -90.1 61.67 5.26 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.218 1.008 . . . . 0.0 110.343 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -139.03 108.47 6.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.648 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -21.2 65.64 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.841 1.256 . . . . 0.0 112.153 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -88.0 24.89 1.69 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.117 0.967 . . . . 0.0 111.303 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -147.92 138.48 23.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.229 0.611 . . . . 0.0 110.05 -171.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.09 156.94 24.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.463 0.705 . . . . 0.0 110.644 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 t 69.31 4.75 4.76 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.887 1.275 . . . . 0.0 111.629 -174.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.0 m -88.59 150.26 45.9 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 123.6 0.76 . . . . 0.0 110.125 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.77 -32.69 56.01 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.845 2.364 . . . . 0.0 112.541 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -88.57 4.42 46.95 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.281 1.032 . . . . 0.0 112.607 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -95.01 126.88 40.66 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 110.98 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.47 140.12 31.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 165.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.02 152.89 43.09 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.764 0.792 . . . . 0.0 111.407 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 ptm -154.71 147.3 24.18 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.647 -169.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.75 178.2 7.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.038 0.535 . . . . 0.0 111.229 -174.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.82 -32.94 74.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.571 0.749 . . . . 0.0 112.765 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -71.69 -45.69 61.08 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.837 0.455 . . . . 0.0 110.265 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.92 89.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.468 0.48 . . . . 0.0 110.71 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.64 73.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.977 0.911 . . . . 0.0 111.146 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.05 42.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.524 0.73 . . . . 0.0 111.195 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.2 mm -61.27 -46.24 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.711 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.18 -31.86 73.26 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.84 0.712 . . . . 0.0 110.748 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.238 0.615 . . . . 0.0 111.008 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.89 -42.07 81.78 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 124.115 0.884 . . . . 0.0 111.488 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 30.2 mm-40 -62.61 -48.17 80.58 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.046 0.538 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 17' ' ' LEU . 86.2 mt -71.74 -26.63 62.54 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.431 -177.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -67.96 -51.45 47.29 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 123.436 0.46 . . . . 0.0 110.045 175.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -72.25 -30.3 64.74 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 122.671 0.388 . . . . 0.0 111.631 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.5 pt -87.45 -13.77 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 122.676 0.39 . . . . 0.0 110.847 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.81 64.52 1.28 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.592 1.157 . . . . 0.0 110.439 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -174.89 4.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.188 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -65.74 106.48 1.51 Allowed 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.709 0.804 . . . . 0.0 110.6 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.7 133.07 53.54 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.854 0.862 . . . . 0.0 108.847 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.471 0.598 0 C-N-CA 123.529 0.731 . . . . 0.0 110.363 179.427 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 119.644 -0.217 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.58 90.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.502 0.721 . . . . 0.0 111.696 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.5 64.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.904 0.882 . . . . 0.0 111.707 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -73.69 -29.95 62.59 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.478 0.711 . . . . 0.0 110.264 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 22.1 m170 -72.37 -32.62 66.6 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.389 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -46.32 86.87 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.01 -38.93 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.157 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.17 -32.08 73.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.243 1.017 . . . . 0.0 111.105 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 9.1 mmm180 -68.87 -46.25 68.93 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -64.35 -37.73 88.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.812 0.695 . . . . 0.0 111.308 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -66.73 -49.13 67.02 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.587 0.755 . . . . 0.0 109.795 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -59.44 -37.55 78.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.288 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.44 -41.99 92.89 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.659 0.784 . . . . 0.0 110.221 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.67 -50.24 16.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.506 0.722 . . . . 0.0 111.501 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.0 p -74.71 -60.81 2.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.732 0.413 . . . . 0.0 111.266 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -83.72 -49.32 9.24 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.514 0.725 . . . . 0.0 110.927 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 -121.75 7.18 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.589 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 12.0 p -156.45 0.12 0.13 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.46 -34.49 3.29 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.435 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.489 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.3 t-20 -56.02 115.28 2.33 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.266 1.026 . . . . 0.0 111.918 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.66 -45.15 79.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.441 1.096 . . . . 0.0 111.495 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.09 45.17 1.07 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.77 0.828 . . . . 0.0 109.83 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 54.0 t -77.36 131.33 38.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.127 -175.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.9 p -87.51 -35.62 18.08 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.257 1.023 . . . . 0.0 112.691 -173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.421 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.3 t-20 -65.32 114.78 5.0 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.327 1.051 . . . . 0.0 111.526 -170.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -22.15 66.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.51 0.724 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.8 26.9 1.42 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.859 0.863 . . . . 0.0 111.251 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.578 ' HB3' ' HG ' ' A' ' 34' ' ' CYS . 23.5 t -142.07 139.77 32.37 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.784 0.434 . . . . 0.0 109.996 -172.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.88 159.44 32.83 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.314 0.645 . . . . 0.0 110.064 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 t 71.18 11.1 6.85 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.076 1.351 . . . . 0.0 111.043 -170.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 50.0 m -101.98 137.44 19.5 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 123.723 0.809 . . . . 0.0 108.865 167.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 -26.62 27.78 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.825 2.35 . . . . 0.0 112.229 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 p -83.89 -13.2 54.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.125 0.97 . . . . 0.0 111.924 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.51 136.16 44.08 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.823 0.344 . . . . 0.0 110.289 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -101.01 124.13 46.26 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.4 0.68 . . . . 0.0 109.187 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -70.16 90.53 0.67 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.074 0.95 . . . . 0.0 111.709 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptp -78.82 158.71 28.11 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.089 170.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.56 171.26 14.94 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.774 0.43 . . . . 0.0 110.304 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -61.6 -35.43 77.84 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.311 0.644 . . . . 0.0 112.162 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -73.57 -38.43 65.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.767 0.427 . . . . 0.0 110.248 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.33 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.202 0.601 . . . . 0.0 110.393 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.59 -26.27 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.84 0.856 . . . . 0.0 111.146 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.58 61.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.26 0.624 . . . . 0.0 110.64 174.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.26 -44.58 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.916 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -73.46 -23.85 60.14 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.847 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.27 92.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.0 110.509 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.53 -40.06 85.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.351 0.661 . . . . 0.0 111.243 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.69 -46.19 83.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.189 0.596 . . . . 0.0 111.299 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.38 -30.61 69.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.645 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.05 -53.83 43.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.148 0.579 . . . . 0.0 110.629 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -68.56 -29.33 67.86 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 pt -87.54 -6.4 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 55.59 60.46 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.237 1.015 . . . . 0.0 110.235 -173.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.3 165.3 24.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.153 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.77 112.52 2.57 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.598 174.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.0 mt -84.1 150.92 25.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.651 168.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 CA--C 1.539 0.543 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.269 -177.321 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.1 84.64 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.496 0.718 . . . . 0.0 111.279 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.97 86.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.245 1.018 . . . . 0.0 111.74 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.61 -50.62 71.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.124 0.89 . . . . 0.0 110.182 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 15.8 m-70 -57.21 -39.21 74.97 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.201 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.32 -33.62 76.26 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.403 1.065 . . . . 0.0 111.785 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.79 -45.4 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.47 -27.52 68.56 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 123.67 0.606 . . . . 0.0 111.75 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HB3' HD13 ' A' ' 59' ' ' LEU . 5.9 mmp_? -67.9 -55.34 13.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.989 0.515 . . . . 0.0 110.616 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -66.76 -34.64 78.29 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.8 0.688 . . . . 0.0 111.514 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.21 -52.73 62.62 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.343 0.657 . . . . 0.0 110.657 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -66.62 -24.34 66.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.71 0.804 . . . . 0.0 110.324 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -70.15 -40.58 74.66 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.075 0.95 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.82 -39.0 31.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -81.8 -59.44 2.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.093 0.557 . . . . 0.0 110.996 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -92.32 -42.63 9.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.333 0.653 . . . . 0.0 110.273 -171.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.81 -154.11 21.13 Favored Glycine 0 C--N 1.341 0.827 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.142 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -123.75 3.45 8.85 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.303 0.641 . . . . 0.0 111.76 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -50.0 4.33 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 122.913 0.292 . . . . 0.0 113.086 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -52.54 111.58 0.67 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.401 1.481 . . . . 0.0 111.843 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.6 -30.64 63.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.557 0.743 . . . . 0.0 111.401 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.73 1.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.9 0.88 . . . . 0.0 110.47 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.545 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 30.4 t -85.47 128.68 34.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.475 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -88.22 24.52 1.85 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.213 0.605 . . . . 0.0 112.079 -174.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 58.3 t-20 -127.03 112.34 15.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.582 0.753 . . . . 0.0 109.395 -174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.14 -25.26 63.38 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.432 0.693 . . . . 0.0 112.103 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -89.63 45.93 1.32 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.447 1.099 . . . . 0.0 110.072 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.31 131.6 10.29 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.005 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 163.47 20.88 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 166.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m 75.86 2.81 3.74 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.092 1.357 . . . . 0.0 110.901 -165.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 61.9 m -107.48 130.42 22.85 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 123.364 0.666 . . . . 0.0 109.362 174.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.55 -30.84 93.43 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.196 2.597 . . . . 0.0 112.386 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -78.28 -3.36 42.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.464 0.706 . . . . 0.0 112.786 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -88.11 123.54 32.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.812 0.445 . . . . 0.0 110.638 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -84.15 121.11 27.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.82 122.63 16.92 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.743 0.417 . . . . 0.0 110.894 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 ptp -110.4 161.64 15.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.336 1.054 . . . . 0.0 109.869 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.96 165.64 19.62 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.424 0.69 . . . . 0.0 110.231 172.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.66 -31.97 72.33 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.158 0.583 . . . . 0.0 110.538 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.88 -48.03 82.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.303 0.641 . . . . 0.0 110.457 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.8 71.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.632 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -23.96 47.19 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.068 0.947 . . . . 0.0 111.118 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.61 52.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.21 0.604 . . . . 0.0 109.927 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.84 -50.04 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -67.93 -24.21 65.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.948 0.499 . . . . 0.0 110.235 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.34 -32.42 71.5 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.106 0.879 . . . . 0.0 111.597 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.98 -49.94 66.06 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.832 0.453 . . . . 0.0 110.361 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.52 -30.08 69.65 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.549 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.2 -50.6 45.97 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.006 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.07 -30.82 69.22 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.904 0.482 . . . . 0.0 111.309 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -85.41 -15.84 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.757 0.423 . . . . 0.0 111.115 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.55 66.06 1.06 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.646 1.179 . . . . 0.0 110.024 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.35 -175.58 4.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 114.908 -1.042 . . . . 0.0 112.055 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.01 129.14 38.92 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.525 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 12' ' ' ARG . 52.2 tp -121.04 145.31 47.91 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.222 0.609 . . . . 0.0 109.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.243 0.756 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.712 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.88 82.56 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.695 0.798 . . . . 0.0 111.807 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.41 70.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.078 0.951 . . . . 0.0 109.746 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.52 -37.38 80.97 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.575 1.172 . . . . 0.0 110.831 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.477 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 26.8 m170 -70.19 -39.16 75.37 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.904 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.4 -40.81 77.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.351 0.66 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.87 -40.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.626 0.77 . . . . 0.0 109.339 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.46 -40.56 95.93 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.055 0.942 . . . . 0.0 109.879 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.478 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.2 mmp_? -64.88 -46.19 82.84 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.393 0.677 . . . . 0.0 111.543 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -71.6 -37.37 70.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.681 0.613 . . . . 0.0 110.887 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -66.54 -39.95 88.83 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.611 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.78 -36.39 84.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.906 1.283 . . . . 0.0 109.188 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.19 -44.33 84.24 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.745 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.3 mm? -68.7 -39.09 80.67 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.997 0.519 . . . . 0.0 112.014 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -85.26 -58.06 2.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.143 0.497 . . . . 0.0 111.652 -172.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.53 -61.64 1.6 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.632 0.773 . . . . 0.0 110.522 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.34 -114.92 4.11 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -158.92 1.06 0.09 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.32 -52.08 4.28 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 122.816 0.246 . . . . 0.0 113.601 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.18 110.15 1.15 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.172 0.989 . . . . 0.0 111.856 -173.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -38.99 59.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.018 1.327 . . . . 0.0 112.795 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.01 68.66 9.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.785 0.803 . . . . 0.0 109.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.6 t -133.38 107.44 8.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.7 p -92.87 70.46 4.69 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.258 1.027 . . . . 0.0 109.372 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -141.03 106.7 5.1 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.255 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.572 1.149 . . . . 0.0 112.48 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -86.35 -2.97 58.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.81 0.844 . . . . 0.0 111.862 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 16.6 t -110.86 130.51 55.56 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.382 1.073 . . . . 0.0 109.262 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -74.03 153.33 39.72 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.394 0.678 . . . . 0.0 111.398 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m 71.74 3.44 4.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.349 1.459 . . . . 0.0 112.353 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 64.0 m -85.08 148.17 49.77 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -60.92 -35.77 86.51 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.755 2.303 . . . . 0.0 111.961 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -75.96 -11.36 59.95 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.067 0.947 . . . . 0.0 112.72 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -85.69 137.48 32.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.403 0.681 . . . . 0.0 110.24 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -114.88 148.89 38.0 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.59 126.45 29.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.914 0.886 . . . . 0.0 110.88 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.49 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -106.53 172.18 6.95 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.784 1.233 . . . . 0.0 110.854 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -89.54 165.74 14.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 168.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -64.46 -37.28 86.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.147 0.579 . . . . 0.0 111.346 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.71 -48.86 78.83 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.83 71.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.643 0.777 . . . . 0.0 111.865 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 40' ' ' MET . . . -69.45 -42.16 75.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 0.0 110.895 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 -46.2 70.42 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.85 0.719 . . . . 0.0 111.462 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.9 mm -60.77 -49.24 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.705 0.628 . . . . 0.0 109.559 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 tptm -62.53 -38.02 88.36 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.807 0.692 . . . . 0.0 110.947 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.31 86.87 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.542 0.737 . . . . 0.0 111.057 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.34 -30.51 60.28 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 35.9 mm-40 -61.86 -48.47 80.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.18 0.592 . . . . 0.0 109.803 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 61.5 mt -73.63 -31.3 63.46 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.235 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.28 -47.51 82.06 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.931 0.769 . . . . 0.0 111.038 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 51' ' ' GLU . 64.5 pttt -75.02 -33.73 61.83 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.144 0.278 . . . . 0.0 111.349 -173.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 pt -87.84 -14.58 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 122.709 0.404 . . . . 0.0 111.513 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 58.79 64.5 1.42 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.54 1.136 . . . . 0.0 110.187 -175.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.69 178.07 7.62 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.38 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -57.83 95.66 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.201 1.001 . . . . 0.0 110.413 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 12' ' ' ARG . 55.9 tp -87.45 124.85 33.87 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.496 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.241 0.618 0 O-C-N 123.955 0.785 . . . . 0.0 109.721 -173.69 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.74 83.09 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.718 0.807 . . . . 0.0 112.28 -176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 10' ' ' ILE . . . -70.53 -36.94 74.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.876 0.871 . . . . 0.0 111.256 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -70.91 -40.19 72.28 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.045 0.938 . . . . 0.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -61.93 -35.04 77.22 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.8 0.688 . . . . 0.0 110.595 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.42 -37.54 71.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.087 0.867 . . . . 0.0 111.066 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 6' ' ' ALA . 84.7 mt -64.16 -40.01 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.11 85.72 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.078 0.951 . . . . 0.0 110.925 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 4.1 mmp_? -60.36 -50.59 73.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.324 0.649 . . . . 0.0 110.116 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -69.96 -41.39 74.57 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.146 0.904 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.49 -52.64 64.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.242 0.544 . . . . 0.0 110.74 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 51.9 m80 -72.7 -19.29 61.43 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -66.62 -42.82 86.22 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 122.456 0.302 . . . . 0.0 110.772 167.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 52' ' ' LEU . 2.6 mm? -79.13 -25.93 42.88 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 119.047 -0.501 . . . . 0.0 112.23 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 15' ' ' HIS . 80.6 p -93.17 -57.52 2.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.256 0.48 . . . . 0.0 111.424 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.57 -44.56 10.01 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.338 0.655 . . . . 0.0 110.124 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . 93.16 -108.93 3.73 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.208 -172.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -154.35 1.3 0.21 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.873 0.869 . . . . 0.0 111.593 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.25 -40.5 2.37 Favored Glycine 0 C--N 1.356 1.663 0 CA-C-O 120.003 -0.332 . . . . 0.0 113.688 -174.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -52.6 113.93 1.23 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.126 1.37 . . . . 0.0 111.626 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.18 -36.76 74.86 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 124.027 0.829 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.31 46.78 1.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.812 0.845 . . . . 0.0 110.174 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 39.7 t -75.41 162.65 28.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.484 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -137.88 72.34 1.41 Allowed 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 122.102 0.953 . . . . 0.0 110.787 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -164.05 124.49 2.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.004 0.922 . . . . 0.0 108.67 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HA ' ' HG1' ' A' ' 36' ' ' THR . 3.3 pm0 -67.85 -35.2 78.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.368 0.667 . . . . 0.0 111.102 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -90.29 77.55 6.63 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.7 t -168.31 125.26 1.06 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.578 0.351 . . . . 0.0 110.112 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -70.67 161.16 31.27 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.318 0.647 . . . . 0.0 110.102 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 m 64.56 14.1 8.71 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 123.596 0.758 . . . . 0.0 111.379 -174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 23.1 m -115.81 141.13 27.04 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 123.732 0.813 . . . . 0.0 109.248 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -19.01 46.43 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.013 2.475 . . . . 0.0 112.711 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.421 ' HG1' ' HA ' ' A' ' 29' ' ' GLU . 37.7 p -75.95 -7.54 54.82 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.97 0.908 . . . . 0.0 112.026 176.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.427 ' HZ ' ' HG2' ' A' ' 40' ' ' MET . 82.6 t80 -123.62 129.27 50.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.484 0.714 . . . . 0.0 110.666 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.11 132.81 35.81 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 170.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 30.2 mmt180 -56.96 146.1 28.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.09 0.956 . . . . 0.0 113.251 -172.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.427 ' HG2' ' HZ ' ' A' ' 37' ' ' PHE . 19.9 ptp -132.56 154.65 49.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.94 171.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.15 167.37 20.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.887 0.475 . . . . 0.0 110.476 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -68.49 -26.16 65.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.377 0.671 . . . . 0.0 112.502 -171.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -72.12 -46.07 58.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.196 0.599 . . . . 0.0 109.66 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.59 74.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.46 61.49 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.413 1.085 . . . . 0.0 111.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.49 68.73 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.344 0.658 . . . . 0.0 110.68 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.3 mm -60.43 -52.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.244 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HE3' HD21 ' A' ' 52' ' ' LEU . 49.2 tptt -63.34 -26.71 68.88 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.112 0.882 . . . . 0.0 111.201 -176.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.59 64.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.465 0.706 . . . . 0.0 110.488 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 -28.45 63.6 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.882 0.739 . . . . 0.0 112.034 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 26.6 mm-40 -64.79 -52.27 57.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -70.21 -26.19 63.75 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.802 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -69.09 -49.9 53.08 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.348 0.405 . . . . 0.0 110.92 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -74.54 -32.39 62.43 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.7 pt -81.18 -14.28 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.282 0.233 . . . . 0.0 110.647 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 56.69 63.09 2.05 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.754 1.221 . . . . 0.0 110.145 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.91 169.07 18.91 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.365 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -61.22 122.82 16.03 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.64 0.733 . . . . 0.0 110.86 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.0 tp -102.2 149.1 24.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.968 0.907 . . . . 0.0 109.009 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 121.616 0.722 . . . . 0.0 110.114 -176.56 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.74 74.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.257 1.023 . . . . 0.0 111.322 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.07 62.24 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.284 1.034 . . . . 0.0 110.123 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.26 -41.69 97.36 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.208 0.942 . . . . 0.0 111.398 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 39.8 m170 -65.97 -42.4 89.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.785 0.678 . . . . 0.0 110.238 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.35 -45.62 90.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.848 0.859 . . . . 0.0 110.765 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.04 -41.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.714 0.805 . . . . 0.0 109.996 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.08 -32.36 71.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.947 0.899 . . . . 0.0 110.825 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 6.3 mmt180 -72.03 -44.17 63.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.247 0.619 . . . . 0.0 109.769 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -65.98 -34.25 77.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -69.97 -55.4 9.71 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.589 0.755 . . . . 0.0 110.187 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -63.22 -24.86 68.07 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.095 0.872 . . . . 0.0 111.133 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.84 -48.64 73.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.104 0.962 . . . . 0.0 110.831 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.09 -44.2 48.69 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.967 0.507 . . . . 0.0 111.575 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 p -77.53 -59.26 2.86 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.608 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -94.45 -37.73 11.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.072 0.549 . . . . 0.0 110.953 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.51 -130.57 10.33 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.614 -171.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 9.2 p -148.24 1.84 0.64 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.765 0.826 . . . . 0.0 112.254 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.52 -33.43 3.91 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 120.001 -0.333 . . . . 0.0 113.129 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 2.9 t-20 -57.71 114.04 2.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.185 0.994 . . . . 0.0 112.019 -177.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.02 -50.98 69.88 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.652 1.181 . . . . 0.0 113.019 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.92 54.43 0.71 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.421 0.688 . . . . 0.0 109.525 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 51.2 t -76.0 138.89 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.751 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -117.97 75.53 1.01 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.328 1.061 . . . . 0.0 110.311 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -147.5 116.29 6.77 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.396 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.49 -32.31 49.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.683 1.193 . . . . 0.0 112.01 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -104.86 74.68 1.14 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.095 0.958 . . . . 0.0 108.602 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.2 t -172.35 138.84 0.96 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 118.458 0.572 . . . . 0.0 111.012 171.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 152.41 42.24 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m 69.85 18.55 7.33 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.939 1.295 . . . . 0.0 111.59 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -112.45 130.68 23.14 Favored Pre-proline 0 C--N 1.351 0.665 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 169.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.85 -22.58 63.23 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.459 2.106 . . . . 0.0 111.779 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -71.14 -23.74 62.13 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.0 1.32 . . . . 0.0 112.417 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -98.58 140.62 32.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.273 0.629 . . . . 0.0 110.486 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.59 147.12 37.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.938 0.895 . . . . 0.0 109.368 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -66.03 138.29 57.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.012 0.925 . . . . 0.0 112.617 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -136.26 159.48 41.61 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.051 0.94 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.83 161.13 31.41 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.435 0.694 . . . . 0.0 110.521 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.36 -25.99 68.21 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.215 0.606 . . . . 0.0 111.498 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.89 -54.49 30.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.781 . . . . 0.0 109.434 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.03 77.36 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.402 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.52 50.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.109 0.964 . . . . 0.0 111.542 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -45.16 68.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.822 0.449 . . . . 0.0 110.537 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.6 mm -61.26 -50.05 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.411 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.2 tptm -67.54 -26.3 66.25 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.864 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.077 0.551 . . . . 0.0 110.688 174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.53 -38.99 91.27 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.785 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 23.9 mm-40 -67.55 -43.49 80.57 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.363 0.415 . . . . 0.0 110.581 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 81.8 mt -70.18 -26.06 63.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.276 0.63 . . . . 0.0 111.101 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.18 -45.65 32.29 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.195 0.31 . . . . 0.0 110.768 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -71.42 -27.76 63.52 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 pt -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 122.637 0.375 . . . . 0.0 110.127 174.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 57.08 74.89 0.39 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.137 -172.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.3 179.46 7.66 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.37 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -67.85 102.42 1.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 121.912 0.863 . . . . 0.0 109.817 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.46 146.25 27.72 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.939 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.004 0.922 . . . . 0.0 109.908 -178.738 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.401 0.143 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.71 -28.54 66.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.028 0.531 . . . . 0.0 111.264 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.63 78.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.004 0.922 . . . . 0.0 110.607 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' A' ' 10' ' ' ILE . 87.5 tttt -70.0 -34.02 72.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.529 0.732 . . . . 0.0 110.142 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t-160 -73.79 -24.79 59.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.537 175.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -33.74 54.82 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 7' ' ' LYS . 96.6 mt -63.01 -37.57 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.27 -29.36 68.96 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.435 1.094 . . . . 0.0 110.953 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 7.3 mmm180 -64.44 -44.47 91.05 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.02 -31.32 62.87 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.681 0.792 . . . . 0.0 112.089 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -72.26 -43.91 63.63 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -63.88 -36.01 82.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.442 1.089 . . . . 0.0 109.782 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.16 -30.67 71.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.166 0.987 . . . . 0.0 111.441 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.73 -51.71 6.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.805 0.442 . . . . 0.0 111.847 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.8 p -77.2 -39.68 47.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.962 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -103.46 -41.88 5.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.419 0.688 . . . . 0.0 110.37 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -128.11 9.41 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.09 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 p -153.83 16.02 0.5 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.822 0.449 . . . . 0.0 111.896 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.99 -32.89 2.68 Favored Glycine 0 C--N 1.354 1.532 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -56.63 113.6 1.7 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.215 1.006 . . . . 0.0 111.256 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.96 -25.25 57.65 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.946 0.898 . . . . 0.0 112.672 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.09 71.55 1.44 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 123.65 0.78 . . . . 0.0 109.952 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 42.2 t -80.85 142.31 33.76 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.74 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.3 p -110.45 62.43 0.6 Allowed 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.471 0.653 . . . . 0.0 110.833 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 41.7 t30 -152.18 114.47 4.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 -21.71 64.07 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.555 0.742 . . . . 0.0 111.961 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -90.12 29.83 1.17 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.205 1.002 . . . . 0.0 111.296 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.682 ' HB3' ' HG ' ' A' ' 34' ' ' CYS . 49.1 t -154.91 142.16 19.45 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 122.115 -0.366 . . . . 0.0 111.837 -171.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -77.52 167.08 22.23 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 165.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m 75.67 4.2 3.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.71 1.204 . . . . 0.0 110.07 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.682 ' HG ' ' HB3' ' A' ' 31' ' ' CYS . 56.0 m -102.01 141.12 21.9 Favored Pre-proline 0 C--N 1.353 0.725 0 C-N-CA 124.306 1.042 . . . . 0.0 109.537 174.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -68.77 -22.59 36.79 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.804 2.336 . . . . 0.0 111.961 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.1 p -86.08 -10.53 54.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.187 0.995 . . . . 0.0 112.405 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -85.77 144.18 27.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.763 0.425 . . . . 0.0 110.328 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.1 tp -120.77 139.11 53.58 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -69.15 151.06 46.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.103 0.954 . . . . 0.0 111.818 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -139.86 178.98 6.86 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 113.65 -1.613 . . . . 0.0 109.511 -169.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -81.4 156.34 25.46 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.387 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -35.83 77.36 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.508 0.723 . . . . 0.0 112.095 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -74.11 -31.48 62.8 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.032 0.533 . . . . 0.0 110.561 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.04 80.27 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.787 0.435 . . . . 0.0 110.003 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.71 68.85 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.571 0.749 . . . . 0.0 110.867 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.0 66.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.353 0.661 . . . . 0.0 110.978 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.5 mm -63.76 -48.49 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.277 0.631 . . . . 0.0 109.598 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.0 tptm -66.49 -32.07 73.2 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.628 0.58 . . . . 0.0 110.76 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.15 87.85 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.029 0.532 . . . . 0.0 110.932 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.66 -37.3 76.65 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.944 0.777 . . . . 0.0 111.126 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 14.4 mm-40 -62.96 -40.01 96.41 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.47 0.481 . . . . 0.0 110.006 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 44.8 mt -73.47 -35.3 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.412 0.685 . . . . 0.0 110.84 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.72 -40.71 76.09 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.941 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -73.66 -36.19 65.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 122.309 0.244 . . . . 0.0 110.847 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.9 pt -86.03 -12.35 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.636 0.374 . . . . 0.0 111.526 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m120 59.15 65.65 1.16 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.294 1.038 . . . . 0.0 109.252 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 178.3 4.12 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.707 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.38 94.44 0.08 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.32 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -88.31 115.5 25.85 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.243 0.716 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.017 171.707 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.3 96.81 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.577 0.751 . . . . 0.0 110.588 172.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.48 85.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 124.058 0.849 . . . . 0.0 110.571 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.93 -38.1 81.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.379 1.072 . . . . 0.0 110.988 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.82 -33.96 64.38 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.602 0.564 . . . . 0.0 110.811 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.13 -41.96 73.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.407 0.683 . . . . 0.0 110.288 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 98.3 mt -65.01 -36.1 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 123.344 0.658 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.83 -44.39 96.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.16 0.984 . . . . 0.0 110.366 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.573 ' HB3' HD13 ' A' ' 59' ' ' LEU . 2.6 mmp_? -64.64 -46.81 80.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -71.57 -37.41 71.04 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.369 0.667 . . . . 0.0 111.88 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.72 -51.08 37.46 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.072 0.549 . . . . 0.0 110.095 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -59.95 -31.24 69.68 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.318 1.011 . . . . 0.0 110.459 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -63.46 -41.55 98.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.54 0.736 . . . . 0.0 111.275 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 48' ' ' LYS . 52.1 mt -81.84 -36.71 27.99 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.3 p -84.18 -56.07 3.85 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.323 0.649 . . . . 0.0 110.921 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -100.73 -30.78 11.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.035 0.934 . . . . 0.0 111.725 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.36 -130.66 10.4 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -172.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -155.61 18.06 0.39 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.571 0.748 . . . . 0.0 110.842 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -55.88 1.64 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 122.817 0.246 . . . . 0.0 112.915 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -70.61 116.53 11.04 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.136 0.574 . . . . 0.0 111.438 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.45 -47.71 75.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.941 0.896 . . . . 0.0 111.025 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.22 65.18 6.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.796 0.839 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.706 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.6 t -111.91 123.4 50.17 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.446 1.098 . . . . 0.0 109.051 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -85.88 69.0 10.53 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.972 1.367 . . . . 0.0 109.608 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -148.4 115.28 6.06 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.813 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.98 -16.15 60.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.108 0.963 . . . . 0.0 112.25 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -115.8 82.52 1.78 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.729 1.212 . . . . 0.0 108.677 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -167.9 123.16 1.01 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.37 46.88 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.165 0.438 . . . . 0.0 110.526 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.7 t 69.79 11.36 7.8 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.802 1.314 . . . . 0.0 111.428 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.706 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m -109.41 136.36 20.22 Favored Pre-proline 0 C--N 1.357 0.922 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.45 -19.87 42.52 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.028 2.485 . . . . 0.0 112.036 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.5 p -72.31 -18.14 61.8 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.875 1.27 . . . . 0.0 111.604 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.85 127.56 54.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.885 0.474 . . . . 0.0 111.515 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.09 111.16 22.51 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.24 162.93 16.3 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 122.072 0.939 . . . . 0.0 112.324 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.0 ptp -145.46 171.22 14.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.62 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.84 173.12 12.83 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.695 0.398 . . . . 0.0 110.355 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -35.89 82.36 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.414 0.686 . . . . 0.0 112.629 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -73.64 -39.28 64.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.9 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.59 64.1 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.028 0.931 . . . . 0.0 111.049 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.04 45.93 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.407 0.683 . . . . 0.0 110.634 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -60.69 -46.63 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.967 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 20.2 tptp -63.46 -37.51 87.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.346 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.99 99.59 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.685 0.794 . . . . 0.0 111.069 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.17 -30.73 67.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.033 0.833 . . . . 0.0 111.482 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.14 -41.87 80.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.527 0.331 . . . . 0.0 110.64 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 48.8 mt -70.86 -27.44 63.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.235 0.614 . . . . 0.0 110.925 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.74 -49.96 54.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.888 0.875 . . . . 0.0 110.355 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.62 -36.19 65.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 0.0 112.267 -173.096 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.429 HD13 ' HB1' ' A' ' 57' ' ' ALA . 20.3 pt -82.98 -20.76 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 122.808 0.443 . . . . 0.0 110.931 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.7 t30 60.47 74.05 0.46 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.753 1.221 . . . . 0.0 109.66 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' HB1' HD13 ' A' ' 55' ' ' ILE . . . -82.68 -170.92 3.22 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.381 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.81 127.91 34.28 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.119 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 12' ' ' ARG . 46.5 tp -120.45 140.27 51.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.121 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.24 0.595 0 C-N-CA 124.355 1.062 . . . . 0.0 108.216 172.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.82 97.8 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.328 0.651 . . . . 0.0 110.724 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.86 53.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.228 1.011 . . . . 0.0 111.1 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -58.08 -51.03 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.924 0.89 . . . . 0.0 111.485 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.5 m170 -70.26 -28.03 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -50.37 70.53 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.089 0.555 . . . . 0.0 109.882 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -58.58 -41.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.472 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.91 -36.45 83.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.345 1.058 . . . . 0.0 111.293 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.596 ' HB3' HD21 ' A' ' 59' ' ' LEU . 64.0 mtm180 -72.74 -35.85 67.62 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.489 0.493 . . . . 0.0 110.61 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -69.75 -39.39 76.78 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.828 0.705 . . . . 0.0 110.962 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -66.91 -44.7 80.09 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.633 0.773 . . . . 0.0 109.806 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -64.92 -34.33 78.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.185 0.994 . . . . 0.0 110.506 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 43.5 tt0 -66.94 -33.58 75.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.432 1.093 . . . . 0.0 110.907 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.4 -35.83 27.3 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.631 0.372 . . . . 0.0 111.898 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -85.6 -60.88 1.89 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.245 0.618 . . . . 0.0 111.728 -174.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -92.27 -35.42 13.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.38 0.672 . . . . 0.0 110.903 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 16' ' ' GLN . . . 92.11 -110.88 3.95 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.59 12.18 0.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.923 0.889 . . . . 0.0 109.794 170.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -44.55 3.15 Favored Glycine 0 C--N 1.359 1.81 0 N-CA-C 114.109 0.404 . . . . 0.0 114.109 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -69.71 134.66 48.9 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.071 0.949 . . . . 0.0 111.974 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.9 -34.74 51.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.082 0.953 . . . . 0.0 111.356 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.47 4.91 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.247 1.019 . . . . 0.0 110.156 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 14.0 t -120.39 126.01 49.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.327 1.051 . . . . 0.0 110.26 -173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -91.55 37.45 0.96 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.792 0.837 . . . . 0.0 110.987 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.509 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 49.6 t-20 -127.37 113.25 16.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.13 -19.54 53.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.159 0.983 . . . . 0.0 112.195 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -92.96 37.92 1.03 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.051 0.94 . . . . 0.0 109.591 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 16' ' ' GLN . 51.0 t -143.88 122.71 12.69 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.456 0.302 . . . . 0.0 111.449 -168.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.39 162.25 15.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.579 0.752 . . . . 0.0 111.121 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 m 65.6 8.37 5.09 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.074 0.949 . . . . 0.0 111.967 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 14.6 m -110.73 140.91 23.09 Favored Pre-proline 0 C--N 1.359 0.982 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.45 -14.22 36.7 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.812 2.341 . . . . 0.0 112.575 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.5 p -88.84 10.73 20.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.573 1.149 . . . . 0.0 111.804 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -112.2 132.14 55.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.566 0.746 . . . . 0.0 110.803 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.81 126.3 35.98 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -67.08 152.55 45.56 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.775 0.83 . . . . 0.0 111.285 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.596 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.35 176.06 9.03 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.431 -166.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -91.71 159.51 15.81 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -36.58 79.96 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.975 0.51 . . . . 0.0 111.619 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.41 -40.6 93.59 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.302 0.641 . . . . 0.0 110.438 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.59 81.21 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.315 0.646 . . . . 0.0 110.845 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -70.56 -34.16 71.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.076 0.95 . . . . 0.0 110.784 177.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -48.65 64.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.183 0.593 . . . . 0.0 110.348 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.66 -50.48 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.767 0.827 . . . . 0.0 109.97 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 tptm -70.47 -25.65 63.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.986 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.66 98.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.025 0.53 . . . . 0.0 110.529 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.34 -31.79 69.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.569 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.98 -43.67 74.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.683 0.393 . . . . 0.0 110.903 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.6 mt -69.95 -27.4 64.71 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.137 0.575 . . . . 0.0 110.671 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -67.98 -51.67 44.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.506 0.722 . . . . 0.0 111.203 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.46 -30.14 66.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.175 0.59 . . . . 0.0 111.882 -173.446 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -90.75 -12.96 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.632 0.373 . . . . 0.0 111.236 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 58.42 60.67 2.51 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.746 1.219 . . . . 0.0 110.665 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 173.26 9.74 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.076 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 28' ' ' ASN . 15.6 ptmt -59.66 126.52 27.92 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.447 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 12' ' ' ARG . 4.7 tt -121.01 134.38 55.3 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.958 0.503 . . . . 0.0 110.114 -171.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 123.166 0.587 . . . . 0.0 109.754 172.036 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.97 110.02 1.65 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.424 0.69 . . . . 0.0 109.814 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -85.89 97.77 10.4 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.55 98.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.364 0.666 . . . . 0.0 111.466 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.28 99.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.422 0.689 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.03 86.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.647 0.779 . . . . 0.0 111.466 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -65.43 -40.87 93.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.545 0.738 . . . . 0.0 110.942 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.54 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 m80 -70.97 -33.56 70.56 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.731 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -46.42 88.77 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.154 0.582 . . . . 0.0 109.555 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.48 -37.46 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.337 1.055 . . . . 0.0 110.429 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.44 -24.95 62.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.91 0.884 . . . . 0.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 86.0 mtt180 -77.69 -34.36 52.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.743 0.417 . . . . 0.0 110.309 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -68.16 -41.65 81.21 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 123.767 0.667 . . . . 0.0 110.215 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.0 -41.96 94.93 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.886 0.874 . . . . 0.0 110.085 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.66 -36.81 84.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.904 0.882 . . . . 0.0 109.59 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.01 -38.7 86.99 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.126 0.892 . . . . 0.0 111.228 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.3 -41.36 25.06 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.3 p -78.27 -59.74 2.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.22 0.464 . . . . 0.0 111.799 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -101.77 -22.02 14.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.185 0.594 . . . . 0.0 111.849 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.26 -144.62 17.32 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 122.913 0.292 . . . . 0.0 112.85 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' OD1' ' A' ' 23' ' ' ASN . 20.1 p -131.93 9.38 4.53 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.42 0.688 . . . . 0.0 111.701 177.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.5 -42.14 2.92 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 114.589 0.595 . . . . 0.0 114.589 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.546 ' OD1' ' SG ' ' A' ' 21' ' ' CYS . 32.3 p-10 -72.13 138.89 48.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.804 0.441 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.29 -43.69 73.32 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 75.79 10.21 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.668 0.747 . . . . 0.0 110.484 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.4 t -134.68 122.4 22.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.417 172.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -116.53 69.85 0.75 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 123.144 1.449 . . . . 0.0 108.897 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -127.92 113.6 16.09 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.42 -26.55 68.5 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.348 0.659 . . . . 0.0 111.915 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -87.39 23.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.027 0.931 . . . . 0.0 111.259 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 52.6 t -146.84 138.28 24.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 122.926 0.491 . . . . 0.0 111.83 -170.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 165.32 23.93 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.841 1.256 . . . . 0.0 109.145 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 72.14 3.71 4.77 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.74 1.216 . . . . 0.0 111.018 -168.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 24.8 m -109.38 143.78 28.46 Favored Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 124.754 1.221 . . . . 0.0 108.878 175.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.15 -32.37 93.18 Favored 'Trans proline' 0 C--N 1.379 2.162 0 C-N-CA 123.325 2.683 . . . . 0.0 113.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -81.84 1.06 36.62 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.61 1.164 . . . . 0.0 113.437 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.441 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 72.1 t80 -84.08 133.77 34.63 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.632 . . . . 0.0 111.617 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -103.49 127.51 50.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -58.7 108.44 0.65 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.253 1.021 . . . . 0.0 111.876 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 23.2 ptp -101.95 168.89 9.12 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.044 0.938 . . . . 0.0 110.399 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.96 165.18 25.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.987 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.57 -26.03 62.44 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.8 0.44 . . . . 0.0 111.588 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.12 -44.22 72.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.32 71.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.04 0.936 . . . . 0.0 111.389 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.61 -35.21 75.06 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.141 0.976 . . . . 0.0 110.524 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.86 60.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.97 -49.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.432 0.693 . . . . 0.0 109.784 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.4 -23.19 58.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.45 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.68 94.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.054 0.541 . . . . 0.0 110.277 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.51 -36.87 79.47 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.01 0.819 . . . . 0.0 112.168 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -62.59 -55.35 27.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.658 0.383 . . . . 0.0 110.767 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.61 -27.1 68.15 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.291 0.995 . . . . 0.0 111.505 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.74 -53.52 21.42 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.004 0.522 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -69.88 -35.2 74.47 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.611 0.569 . . . . 0.0 110.944 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.24 -17.38 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.816 0.446 . . . . 0.0 110.587 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 57.44 65.73 1.29 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.817 1.247 . . . . 0.0 110.339 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.67 -165.97 1.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.416 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -69.95 96.53 1.04 Allowed 'General case' 0 C--O 1.243 0.75 0 C-N-CA 123.323 0.649 . . . . 0.0 110.309 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.6 tp -91.27 140.44 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m -94.4 101.86 13.8 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 173.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -73.58 140.24 78.46 Favored Pre-proline 0 C--O 1.245 0.832 0 O-C-N 123.504 0.503 . . . . 0.0 109.747 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.56 106.98 2.3 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.382 1.388 . . . . 0.0 110.176 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -123.98 94.79 45.12 Favored Pre-proline 0 N--CA 1.476 0.858 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 C--N 1.373 1.86 0 C-N-CA 122.751 2.301 . . . . 0.0 111.925 176.773 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.33 0.11 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.62 102.44 4.57 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -70.08 -27.48 64.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.336 0.655 . . . . 0.0 110.827 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.556 0.742 . . . . 0.0 110.423 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.81 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.745 0.818 . . . . 0.0 111.272 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.62 82.74 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.983 0.802 . . . . 0.0 110.807 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.26 -29.21 67.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.595 0.758 . . . . 0.0 112.138 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -69.39 -32.97 72.33 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.578 0.549 . . . . 0.0 110.434 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.64 -44.05 44.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.499 0.72 . . . . 0.0 110.9 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.79 -39.35 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.09 0.556 . . . . 0.0 109.768 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.71 -48.75 77.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.508 1.523 . . . . 0.0 111.136 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.514 ' HE ' HD22 ' A' ' 59' ' ' LEU . 84.7 mtm-85 -74.77 -31.67 61.84 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -76.21 -40.35 52.41 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.992 0.517 . . . . 0.0 110.427 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -58.15 -51.84 68.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.02 0.928 . . . . 0.0 111.027 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -76.53 -20.94 56.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.89 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.74 -35.76 80.84 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.086 0.47 . . . . 0.0 110.527 169.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 HD12 ' HB3' ' A' ' 48' ' ' LYS . 54.7 mt -89.74 -40.28 12.61 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 112.467 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -77.41 -53.75 7.27 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.918 0.487 . . . . 0.0 111.106 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -91.81 -50.89 5.49 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.654 0.74 . . . . 0.0 110.161 -175.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.68 -116.84 5.5 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.719 -172.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -156.05 -1.8 0.13 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.02 0.528 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.43 -33.87 1.8 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.188 0.449 . . . . 0.0 113.828 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -72.01 125.07 26.31 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.47 1.108 . . . . 0.0 111.18 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.65 -40.31 92.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.411 1.084 . . . . 0.0 111.443 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.11 6.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.777 0.831 . . . . 0.0 109.962 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.8 t -135.74 107.9 7.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -84.81 -5.02 59.32 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.573 1.149 . . . . 0.0 113.432 -172.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -82.84 112.35 19.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.903 0.481 . . . . 0.0 110.589 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -22.18 66.86 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.238 1.015 . . . . 0.0 112.037 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -88.53 28.74 1.07 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.71 0.804 . . . . 0.0 111.551 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -139.75 139.23 36.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.338 0.655 . . . . 0.0 109.721 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 163.17 28.32 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m 73.98 3.54 4.45 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.891 1.276 . . . . 0.0 111.178 -169.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.9 m -101.48 139.33 20.32 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.943 0.897 . . . . 0.0 110.03 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.52 -39.12 93.46 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.551 2.834 . . . . 0.0 113.364 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -89.1 8.16 31.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.133 0.973 . . . . 0.0 113.084 -172.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -82.32 139.39 34.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.0 0.52 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.05 118.16 36.45 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.8 125.67 24.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.006 0.816 . . . . 0.0 112.916 -172.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.0 ptp -133.34 119.94 20.35 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 124.088 0.955 . . . . 0.0 108.438 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.33 -174.29 3.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 110.958 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -43.35 -48.52 6.94 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 125.755 1.622 . . . . 0.0 115.198 -161.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.01 -49.25 47.14 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.444 0.565 . . . . 0.0 110.449 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.21 72.0 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 111.949 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.68 -25.77 26.34 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.47 67.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.317 0.647 . . . . 0.0 109.99 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.56 -50.05 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.131 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.47 ' HB3' HD12 ' A' ' 17' ' ' LEU . 40.7 tptt -70.13 -22.61 62.98 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.115 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.69 89.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.17 0.588 . . . . 0.0 110.322 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 -39.19 91.0 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.308 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.06 -53.6 55.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.615 0.766 . . . . 0.0 111.032 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.28 -22.57 62.85 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.648 0.779 . . . . 0.0 111.439 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -74.04 -50.76 18.28 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 122.545 0.338 . . . . 0.0 110.816 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.79 -33.17 72.01 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -172.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.96 -14.66 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.736 0.415 . . . . 0.0 111.207 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.72 60.99 1.5 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.408 1.083 . . . . 0.0 110.16 -175.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.18 178.71 7.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.047 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.64 105.84 1.64 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.742 0.817 . . . . 0.0 111.17 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HE ' ' A' ' 12' ' ' ARG . 55.0 tp -87.09 136.05 33.07 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 23.7 t -85.96 5.72 31.86 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.244 0.618 . . . . 0.0 112.472 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -56.16 120.87 37.83 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 123.145 0.578 . . . . 0.0 109.471 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.15 108.11 2.08 Favored 'Trans proline' 0 C--N 1.367 1.519 0 C-N-CA 122.363 2.042 . . . . 0.0 111.499 -172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -94.65 160.05 32.25 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.902 0.881 . . . . 0.0 109.204 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 C--N 1.374 1.909 0 C-N-CA 122.341 2.027 . . . . 0.0 111.131 170.57 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.39 0.138 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -77.3 90.81 3.76 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 121.701 0.762 . . . . 0.0 109.652 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -86.62 -179.39 6.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.367 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.24 81.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.376 0.671 . . . . 0.0 110.409 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.42 74.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.722 0.809 . . . . 0.0 110.704 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.796 0.839 . . . . 0.0 111.305 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -63.25 -44.3 95.57 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.031 0.832 . . . . 0.0 109.537 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.493 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.9 m170 -61.5 -35.06 76.63 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.003 0.815 . . . . 0.0 111.257 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -37.04 73.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.951 0.901 . . . . 0.0 110.002 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.23 -38.08 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.671 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 36.1 mm-40 -65.59 -30.85 71.64 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.583 0.753 . . . . 0.0 111.783 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.7 mmp_? -66.8 -47.34 72.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.1 -36.29 81.64 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.315 1.009 . . . . 0.0 111.838 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.29 -49.83 57.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.754 0.422 . . . . 0.0 110.171 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -64.51 -29.16 70.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.66 0.784 . . . . 0.0 110.16 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 25.5 tt0 -64.25 -40.22 95.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.735 0.814 . . . . 0.0 110.643 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.02 -48.49 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.537 0.735 . . . . 0.0 112.172 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 p -82.81 -29.9 29.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.062 0.545 . . . . 0.0 112.253 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -117.95 -54.96 2.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.42 . . . . 0.0 111.339 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.1 -141.39 16.95 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.751 -172.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 p -141.36 2.28 1.65 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.273 1.029 . . . . 0.0 112.005 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.03 -33.07 6.02 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.881 -0.399 . . . . 0.0 112.383 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -51.14 118.62 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.477 1.111 . . . . 0.0 112.042 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.12 -47.21 83.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.95 104.05 13.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.25 1.02 . . . . 0.0 109.635 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -141.28 134.63 29.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.542 1.137 . . . . 0.0 108.179 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -114.55 83.55 1.91 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.17 0.988 . . . . 0.0 109.404 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -155.11 125.5 6.81 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.468 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.01 -16.83 63.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.889 1.276 . . . . 0.0 112.569 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.83 -0.09 31.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.701 0.8 . . . . 0.0 112.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.0 t -107.59 138.21 44.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.724 0.41 . . . . 0.0 110.114 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -72.73 149.07 44.06 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.926 0.49 . . . . 0.0 110.988 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m 74.91 4.33 4.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.326 1.45 . . . . 0.0 112.355 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 83.7 m -85.53 150.93 55.08 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.65 0.78 . . . . 0.0 110.343 175.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.99 -46.94 30.35 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 123.509 2.806 . . . . 0.0 114.021 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.0 p -89.31 16.06 8.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.91 0.884 . . . . 0.0 112.575 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 69.6 t80 -110.44 146.99 34.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.31 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.2 138.43 51.71 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.598 1.159 . . . . 0.0 108.761 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 21.8 mmt180 -68.02 117.11 9.45 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.668 0.605 . . . . 0.0 110.845 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.406 ' SD ' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.22 164.55 13.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.703 0.801 . . . . 0.0 110.672 175.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.05 162.75 18.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.796 0.839 . . . . 0.0 109.789 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -63.54 -37.01 85.68 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.996 0.519 . . . . 0.0 111.3 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -74.47 -35.74 63.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.616 0.766 . . . . 0.0 110.328 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.7 81.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.25 0.62 . . . . 0.0 110.532 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.36 -29.77 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 110.701 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -49.93 65.47 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.738 0.649 . . . . 0.0 110.258 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.0 -48.7 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.622 0.769 . . . . 0.0 110.058 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.494 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 50.1 tptt -63.44 -36.31 83.31 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.918 0.761 . . . . 0.0 110.582 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.94 98.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.413 0.685 . . . . 0.0 110.965 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -37.04 80.64 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.357 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.84 -40.39 72.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.623 0.369 . . . . 0.0 111.263 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 83.5 mt -70.49 -28.23 64.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.183 0.593 . . . . 0.0 110.726 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -69.67 -53.96 16.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.159 0.584 . . . . 0.0 110.474 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.57 -40.96 98.54 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.338 0.655 . . . . 0.0 111.846 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 pt -81.81 -20.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.874 0.47 . . . . 0.0 110.962 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 m120 56.28 73.64 0.43 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.767 1.227 . . . . 0.0 110.32 -170.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.74 -167.19 1.03 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.959 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.03 95.61 0.73 Allowed 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -78.72 131.78 36.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.387 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.29 88.85 4.55 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.578 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.46 147.29 84.84 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.706 167.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.31 108.45 1.79 Allowed 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 121.668 1.578 . . . . 0.0 110.429 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -98.14 105.17 26.63 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 123.834 0.853 . . . . 0.0 109.675 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--N 1.372 1.811 0 C-N-CA 122.892 2.394 . . . . 0.0 111.161 174.187 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -82.69 77.42 9.45 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -60.53 139.96 57.53 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.241 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.5 74.99 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.835 0.854 . . . . 0.0 112.507 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.73 87.35 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.392 0.677 . . . . 0.0 111.051 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' HB1' ' OH ' ' A' ' 53' ' ' TYR . . . -75.09 -26.03 58.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.797 1.239 . . . . 0.0 111.653 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -74.12 -52.62 11.99 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.514 1.126 . . . . 0.0 108.501 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 23.1 m-70 -70.42 -22.73 62.7 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.207 178.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD21 ' HD2' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -59.37 -43.1 92.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.176 0.99 . . . . 0.0 109.091 169.565 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.12 -35.2 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.446 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.35 -26.17 65.46 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.633 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.2 mmp_? -71.28 -42.78 68.3 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' A' ' 53' ' ' TYR . 41.5 m-85 -63.94 -49.19 73.58 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.499 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.6 -39.13 76.15 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.712 0.805 . . . . 0.0 110.229 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.82 -42.84 97.56 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 124.204 0.94 . . . . 0.0 109.933 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -69.31 -25.87 64.44 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.75 0.656 . . . . 0.0 111.603 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.502 HD22 HD12 ' A' ' 52' ' ' LEU . 2.5 mm? -87.26 -31.21 20.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.563 0.345 . . . . 0.0 111.883 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.0 p -87.96 -52.39 5.3 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 117.891 0.314 . . . . 0.0 111.554 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.58 -31.99 7.29 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.699 0.8 . . . . 0.0 112.433 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 -108.11 3.64 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -171.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.1 p -150.29 10.17 0.67 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.065 0.946 . . . . 0.0 110.473 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.03 -49.33 1.96 Allowed Glycine 0 C--N 1.355 1.585 0 C-N-CA 122.869 0.271 . . . . 0.0 112.693 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -66.15 116.5 7.3 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.414 0.686 . . . . 0.0 111.043 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -33.99 68.25 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.506 0.723 . . . . 0.0 111.224 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 48.76 1.69 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.479 1.111 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.588 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 42.4 t -102.64 124.28 47.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.819 1.247 . . . . 0.0 110.09 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.4 p -82.95 31.12 0.43 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.171 0.989 . . . . 0.0 112.868 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -112.36 113.29 25.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.537 1.135 . . . . 0.0 108.179 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' HA ' ' HG1' ' A' ' 36' ' ' THR . 0.4 OUTLIER -69.14 -23.48 63.97 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.209 1.004 . . . . 0.0 112.461 -179.335 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -90.05 23.03 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.497 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -126.76 126.03 42.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.426 0.69 . . . . 0.0 110.678 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -70.7 162.0 29.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.504 0.722 . . . . 0.0 110.262 177.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t 71.35 1.13 3.72 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 124.957 1.303 . . . . 0.0 111.325 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 36.1 m -99.65 144.78 28.95 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 122.97 0.508 . . . . 0.0 109.753 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.37 -5.7 17.29 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.85 2.367 . . . . 0.0 112.26 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 ' HG1' ' HA ' ' A' ' 29' ' ' GLU . 40.5 p -101.08 12.62 37.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.644 1.178 . . . . 0.0 111.511 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 78.1 t80 -120.62 156.1 32.37 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.659 0.784 . . . . 0.0 110.069 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.2 tp -115.24 111.94 21.7 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.567 1.147 . . . . 0.0 108.311 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -56.02 139.35 47.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 0.0 111.216 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -130.86 165.59 22.71 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.955 0.902 . . . . 0.0 110.146 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.6 162.4 25.97 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.033 0.933 . . . . 0.0 110.359 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -60.79 -40.79 93.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.855 0.862 . . . . 0.0 111.748 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -70.57 -39.24 74.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.884 0.474 . . . . 0.0 110.125 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.31 71.95 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.392 0.677 . . . . 0.0 110.863 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -28.82 60.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.223 1.009 . . . . 0.0 110.442 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -36.91 63.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.829 0.852 . . . . 0.0 111.047 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.5 -49.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.566 0.746 . . . . 0.0 109.827 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -67.65 -34.38 76.83 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.632 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.36 93.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.457 0.703 . . . . 0.0 110.622 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -36.72 66.6 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 124.293 0.996 . . . . 0.0 110.719 -178.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 68.8 mm-40 -59.82 -55.38 34.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.53 0.732 . . . . 0.0 110.141 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD12 HD22 ' A' ' 17' ' ' LEU . 73.6 mt -67.22 -26.35 66.55 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.107 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.463 ' OH ' ' HB1' ' A' ' 6' ' ' ALA . 48.4 t80 -65.79 -54.53 25.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.288 0.635 . . . . 0.0 111.061 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 21.2 pttp -71.07 -28.03 64.06 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.748 0.655 . . . . 0.0 111.769 -171.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.6 pt -89.29 -14.56 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.655 0.382 . . . . 0.0 111.57 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 68.26 0.84 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.757 1.223 . . . . 0.0 110.957 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.28 -179.94 6.0 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.838 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.85 117.14 11.98 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.256 1.023 . . . . 0.0 111.762 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.92 145.57 26.89 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 110.555 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.8 m -86.46 -31.22 21.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.692 166.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.83 141.68 68.65 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.482 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.5 141.15 79.34 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.97 2.446 . . . . 0.0 111.388 169.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.423 ' HD2' HD21 ' A' ' 9' ' ' LEU . 62.2 m80 -66.27 123.19 84.73 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.167 0.587 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo . . . . . 0 C--N 1.375 1.966 0 C-N-CA 123.11 2.54 . . . . 0.0 111.591 177.194 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.53 91.74 0.8 Allowed 'General case' 0 C--N 1.358 0.956 0 C-N-CA 123.286 0.634 . . . . 0.0 109.959 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -148.21 129.66 14.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.52 98.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.41 75.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.337 0.655 . . . . 0.0 111.501 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.49 44.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.669 0.788 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -59.55 -46.2 89.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.688 0.795 . . . . 0.0 110.728 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.587 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 55.9 m-70 -72.36 -23.72 61.17 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.495 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -46.71 64.59 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.135 0.574 . . . . 0.0 109.613 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.86 -36.23 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.986 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.1 -35.54 77.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.84 1.256 . . . . 0.0 111.223 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 91.0 mtt180 -71.59 -39.45 70.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 123.575 0.547 . . . . 0.0 111.507 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -67.93 -38.24 82.64 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.857 0.723 . . . . 0.0 111.195 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -68.42 -47.68 66.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.374 0.67 . . . . 0.0 109.931 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -61.07 -35.46 77.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.25 1.02 . . . . 0.0 110.263 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.76 -44.85 96.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.013 0.925 . . . . 0.0 111.367 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -79.66 -43.84 22.03 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 123.641 0.588 . . . . 0.0 112.442 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.2 p -84.54 -59.96 2.21 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.016 0.526 . . . . 0.0 111.541 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -79.56 -42.08 25.84 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.36 0.664 . . . . 0.0 110.867 -172.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.07 -153.88 22.12 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.417 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -132.59 2.9 3.82 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.833 0.853 . . . . 0.0 111.96 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.16 -34.73 2.17 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.54 137.97 57.85 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.481 1.113 . . . . 0.0 112.293 -173.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.91 -74.85 0.05 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.762 1.225 . . . . 0.0 111.681 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.32 78.48 3.07 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.21 0.529 . . . . 0.0 110.001 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 12.3 t -82.12 127.31 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.201 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -92.55 56.33 2.68 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.744 0.818 . . . . 0.0 112.23 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -155.88 120.13 4.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.177 0.591 . . . . 0.0 109.794 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -38.45 78.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.02 0.928 . . . . 0.0 112.033 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -88.9 62.17 6.24 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.798 0.839 . . . . 0.0 110.225 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.1 t -165.6 132.37 2.78 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.677 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 159.45 34.57 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m 75.32 10.7 3.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.703 1.252 . . . . 0.0 110.88 -162.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.9 m -114.44 133.59 22.45 Favored Pre-proline 0 C--O 1.243 0.712 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 167.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.4 -20.33 61.36 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.72 2.28 . . . . 0.0 112.227 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -72.58 -24.24 61.07 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.323 1.049 . . . . 0.0 111.651 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -78.05 122.44 25.58 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.409 0.443 . . . . 0.0 110.494 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.27 127.28 32.54 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -62.13 106.72 0.76 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.649 0.593 . . . . 0.0 110.631 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptm -95.62 169.46 10.02 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.644 1.178 . . . . 0.0 109.767 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.29 162.95 28.76 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.404 0.682 . . . . 0.0 109.964 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -65.18 -37.82 88.57 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.117 0.967 . . . . 0.0 111.11 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -67.39 -42.92 82.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.203 0.601 . . . . 0.0 109.827 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.71 89.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.623 1.202 . . . . 0.0 111.081 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.34 -27.09 60.53 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.002 0.921 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.43 64.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.211 0.604 . . . . 0.0 110.639 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.4 mm -63.95 -50.36 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptm -70.48 -22.12 62.7 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.561 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.12 94.95 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.699 0.4 . . . . 0.0 110.06 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.84 -35.09 74.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.16 0.913 . . . . 0.0 111.867 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HA ' ' HZ1' ' A' ' 54' ' ' LYS . 18.9 mm-40 -66.01 -58.07 6.33 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.8 mt -60.21 -26.23 66.22 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.286 0.991 . . . . 0.0 111.535 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.13 -57.03 9.63 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.38 0.672 . . . . 0.0 110.754 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' HZ1' ' HA ' ' A' ' 51' ' ' GLU . 20.5 pttm -75.43 -33.37 60.92 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.469 0.481 . . . . 0.0 111.641 -172.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 pt -81.42 -7.39 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.516 0.326 . . . . 0.0 110.74 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.8 m120 58.78 53.62 5.75 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 124.784 1.234 . . . . 0.0 110.88 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.7 -174.08 2.86 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.534 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -70.51 105.71 3.18 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.943 -172.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.37 136.28 37.64 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.443 0.697 . . . . 0.0 109.833 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.0 t -114.67 -32.29 5.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.921 1.289 . . . . 0.0 109.226 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.93 146.9 95.71 Favored Pre-proline 0 C--O 1.248 1.004 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.628 171.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.15 135.1 56.37 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 122.591 2.194 . . . . 0.0 112.435 -173.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -117.17 93.26 41.98 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.972 0.909 . . . . 0.0 108.913 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 C--N 1.371 1.724 0 C-N-CA 122.759 2.306 . . . . 0.0 110.636 172.112 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -72.61 149.17 44.17 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -90.44 31.45 1.02 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.377 0.671 . . . . 0.0 110.916 -172.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.0 65.71 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.23 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.41 80.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.057 0.543 . . . . 0.0 110.743 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.51 74.72 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.954 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.35 -39.53 78.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.345 1.058 . . . . 0.0 110.28 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.555 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 m-70 -64.18 -40.8 96.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 173.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.03 98.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.447 0.699 . . . . 0.0 110.161 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.02 -36.41 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.626 0.771 . . . . 0.0 110.384 173.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -64.6 -32.21 73.76 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.912 0.885 . . . . 0.0 110.217 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 40.6 mtp85 -75.01 -38.2 61.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.33 0.652 . . . . 0.0 110.454 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.13 -41.35 94.91 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.455 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -66.76 -39.03 87.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.237 0.615 . . . . 0.0 109.776 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.16 -41.01 91.89 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 124.473 1.108 . . . . 0.0 109.153 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.11 -44.07 97.92 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.125 0.891 . . . . 0.0 111.632 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.64 -37.71 79.9 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.065 0.393 . . . . 0.0 111.885 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 p -89.83 -65.91 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.73 -46.49 12.2 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.546 0.738 . . . . 0.0 110.908 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.64 -109.26 3.78 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -173.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -153.36 2.37 0.28 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.644 0.778 . . . . 0.0 112.101 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -31.54 4.94 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.255 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -52.41 136.58 31.25 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.402 1.081 . . . . 0.0 112.765 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -73.47 -57.79 3.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.821 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.03 101.28 13.61 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.817 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.543 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.4 t -136.77 115.64 12.24 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.076 0.95 . . . . 0.0 109.043 173.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -91.12 59.02 3.88 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 122.746 1.26 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.23 120.23 21.91 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.545 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.78 -26.55 66.15 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.391 1.476 . . . . 0.0 113.139 -173.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.62 5.97 45.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.771 0.829 . . . . 0.0 112.022 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -104.57 134.54 47.56 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.92 0.488 . . . . 0.0 110.855 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.7 158.98 31.62 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.532 0.733 . . . . 0.0 109.735 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 m 65.31 17.08 10.86 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 124.186 0.929 . . . . 0.0 111.286 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 35.7 m -112.03 146.13 34.19 Favored Pre-proline 0 C--N 1.364 1.222 0 C-N-CA 123.356 0.662 . . . . 0.0 109.826 173.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -10.02 26.44 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.714 2.276 . . . . 0.0 112.986 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.2 p -95.68 4.84 52.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.245 1.018 . . . . 0.0 111.801 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -131.59 137.53 48.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.039 0.536 . . . . 0.0 109.831 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.61 160.63 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.829 0.852 . . . . 0.0 110.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -69.91 126.64 30.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.724 0.81 . . . . 0.0 110.225 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -168.9 1.5 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.424 1.089 . . . . 0.0 111.056 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.11 160.37 15.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 0.0 109.018 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.21 -40.48 81.71 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.114 0.966 . . . . 0.0 112.06 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -70.03 -38.77 75.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.539 0.736 . . . . 0.0 110.278 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.2 77.5 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.441 0.697 . . . . 0.0 111.147 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.64 77.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.726 0.81 . . . . 0.0 110.549 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -47.08 68.84 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.341 0.657 . . . . 0.0 111.727 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.89 -49.8 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.213 0.605 . . . . 0.0 109.771 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.7 tptm -67.44 -28.77 68.16 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.672 0.607 . . . . 0.0 110.715 -175.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.3 89.83 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.957 0.503 . . . . 0.0 110.561 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.37 -38.0 80.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -60.13 -55.14 37.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.061 0.544 . . . . 0.0 109.92 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 76.6 mt -61.7 -32.22 72.41 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.084 0.954 . . . . 0.0 111.727 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -64.25 -56.44 14.61 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 123.742 0.651 . . . . 0.0 110.528 175.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.56 -16.46 57.41 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 pt -93.74 -15.06 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.233 0.47 . . . . 0.0 110.43 174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.75 68.19 0.66 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.299 1.04 . . . . 0.0 110.061 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.14 176.58 7.52 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.434 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -69.61 100.41 1.45 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.182 0.993 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -84.16 130.58 34.83 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.521 0.728 . . . . 0.0 109.617 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.8 t -96.81 -31.23 12.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.76 0.824 . . . . 0.0 111.167 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.54 122.38 87.36 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.585 173.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.24 106.41 0.3 Allowed 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.084 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -70.46 139.77 86.93 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.854 0.462 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--N 1.38 2.233 0 C-N-CA 123.303 2.668 . . . . 0.0 112.753 -178.005 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tmm? . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -89.5 110.39 21.23 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.509 0.724 . . . . 0.0 110.19 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -67.11 -20.16 65.74 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.398 1.079 . . . . 0.0 112.911 -171.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.5 -48.66 59.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.196 0.598 . . . . 0.0 110.686 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.0 89.48 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.804 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.4 84.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.415 1.086 . . . . 0.0 111.424 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.67 -50.33 73.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.364 1.066 . . . . 0.0 110.831 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.512 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 5.7 m-70 -67.23 -31.46 71.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.483 -177.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -46.17 80.69 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.336 0.654 . . . . 0.0 110.427 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.68 -38.95 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 O-C-N 123.788 0.68 . . . . 0.0 110.084 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.7 -28.81 65.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.594 0.757 . . . . 0.0 112.379 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 3.7 mmp_? -69.55 -45.49 68.64 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.896 0.479 . . . . 0.0 110.163 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -65.86 -40.88 92.11 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.582 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -61.27 -45.04 96.15 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.655 0.782 . . . . 0.0 110.61 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -58.95 -36.49 74.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.496 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.39 -30.12 68.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.346 0.658 . . . . 0.0 112.065 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.59 -38.16 17.4 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 118.567 0.621 . . . . 0.0 112.035 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -76.46 -41.29 47.8 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 120.928 0.394 . . . . 0.0 111.773 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.96 -57.05 2.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.586 0.754 . . . . 0.0 109.969 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.54 -120.76 4.62 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.85 2.9 0.53 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.169 0.588 . . . . 0.0 111.852 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.79 3.11 Favored Glycine 0 N--CA 1.475 1.235 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 105.21 0.36 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.29 1.036 . . . . 0.0 110.168 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.99 -34.47 64.21 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 61.9 7.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.898 0.879 . . . . 0.0 109.289 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 36.1 t -113.86 119.01 35.82 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.993 0.917 . . . . 0.0 109.968 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -87.27 58.75 5.17 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.708 0.803 . . . . 0.0 111.603 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -142.71 113.1 7.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.171 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.478 ' HA ' ' HG1' ' A' ' 36' ' ' THR . 12.4 pt-20 -63.91 -27.02 68.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.333 1.053 . . . . 0.0 111.563 176.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.3 37.48 0.82 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.669 1.187 . . . . 0.0 110.575 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.504 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -153.48 139.84 18.61 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.828 0.451 . . . . 0.0 110.48 -172.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.04 163.63 19.77 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.17 0.988 . . . . 0.0 109.923 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.9 m 70.87 1.51 3.79 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.342 1.457 . . . . 0.0 111.198 -172.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.521 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 56.2 m -93.13 146.75 32.53 Favored Pre-proline 0 C--N 1.358 0.952 0 C-N-CA 123.704 0.802 . . . . 0.0 109.947 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.07 -31.14 92.39 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.34 2.693 . . . . 0.0 112.18 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.478 ' HG1' ' HA ' ' A' ' 29' ' ' GLU . 46.1 p -87.26 14.17 8.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.88 1.272 . . . . 0.0 112.549 -176.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.66 135.53 46.92 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.849 0.459 . . . . 0.0 110.333 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.42 145.69 34.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -65.17 115.84 5.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.982 0.513 . . . . 0.0 110.761 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 ptm -111.72 161.45 16.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.652 1.181 . . . . 0.0 108.612 173.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.37 167.51 20.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.238 0.615 . . . . 0.0 110.92 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.31 -32.21 66.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.41 -34.92 68.21 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.134 0.573 . . . . 0.0 110.139 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.53 75.05 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.238 0.615 . . . . 0.0 110.608 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.94 60.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.382 1.073 . . . . 0.0 110.585 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.84 69.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.555 0.742 . . . . 0.0 110.586 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.54 -46.72 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.656 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.6 tptt -66.88 -31.26 71.75 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 124.019 0.824 . . . . 0.0 110.97 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.17 92.81 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.624 0.77 . . . . 0.0 110.65 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.05 -34.14 72.86 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.99 0.806 . . . . 0.0 111.715 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 19.8 mm-40 -58.98 -53.6 56.53 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.346 0.658 . . . . 0.0 110.089 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 28.1 mt -73.29 -25.07 60.51 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.211 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -64.93 -51.46 61.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.678 0.611 . . . . 0.0 110.875 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 22.6 pttp -75.89 -35.71 59.74 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.718 -173.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.7 pt -85.03 -12.85 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.316 0.247 . . . . 0.0 110.864 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 57.55 57.93 4.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.638 1.175 . . . . 0.0 110.252 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.48 178.74 4.43 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.947 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -62.08 99.09 0.12 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.408 1.083 . . . . 0.0 111.382 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 12' ' ' ARG . 30.8 tp -91.58 125.31 36.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.43 7.52 25.47 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.01 139.76 76.64 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 122.84 0.456 . . . . 0.0 111.329 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.42 136.92 64.59 Favored 'Trans proline' 0 C--N 1.387 2.571 0 C-N-CA 123.925 3.083 . . . . 0.0 113.771 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -102.05 136.58 19.45 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 123.731 0.812 . . . . 0.0 110.202 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 C--N 1.382 2.315 0 C-N-CA 123.452 2.768 . . . . 0.0 112.512 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.627 0.251 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.425 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 37.2 ttmt -94.02 103.99 16.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.847 0.859 . . . . 0.0 109.29 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -68.22 -15.74 63.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.835 0.854 . . . . 0.0 112.11 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -43.11 56.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.132 0.573 . . . . 0.0 109.973 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' H ' ' HG2' ' A' ' 2' ' ' LYS . . . -69.32 -34.75 75.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.415 0.686 . . . . 0.0 110.511 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.73 75.54 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.634 0.773 . . . . 0.0 110.466 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.26 -41.58 96.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.603 0.761 . . . . 0.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.531 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.1 m80 -68.18 -33.32 74.23 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.994 0.808 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.39 72.96 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.26 -34.59 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.97 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -62.65 -42.56 99.67 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.151 0.98 . . . . 0.0 109.294 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 97.4 mtt180 -68.62 -33.69 74.46 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.793 0.683 . . . . 0.0 111.489 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -71.39 -42.53 68.27 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.609 0.364 . . . . 0.0 111.067 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.54 -39.68 81.02 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.405 0.682 . . . . 0.0 110.331 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.91 -41.42 97.68 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.581 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 8.1 tt0 -60.48 -36.5 78.43 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 124.271 0.982 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.48 -43.75 47.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.961 0.504 . . . . 0.0 111.956 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -80.02 -58.58 3.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.204 0.602 . . . . 0.0 111.696 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.48 -44.94 6.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.361 1.064 . . . . 0.0 110.805 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.74 -111.29 4.21 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.031 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -158.49 8.42 0.14 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.541 0.736 . . . . 0.0 111.824 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.51 -32.6 3.6 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.756 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.519 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 2.4 m-20 -55.36 111.1 0.8 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.387 1.075 . . . . 0.0 112.674 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.42 -54.71 19.89 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.141 1.376 . . . . 0.0 112.145 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.27 48.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.532 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.6 t -69.18 140.28 54.63 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -114.95 78.47 1.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 122.194 0.997 . . . . 0.0 110.321 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -162.77 121.07 2.08 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.289 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.02 -15.49 63.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.318 1.047 . . . . 0.0 112.378 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.37 14.63 29.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.936 0.894 . . . . 0.0 111.511 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 41.8 t -128.79 136.27 50.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.251 0.62 . . . . 0.0 110.235 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.04 160.59 31.07 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 123.604 0.761 . . . . 0.0 109.259 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t 67.88 12.54 8.87 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 124.392 1.058 . . . . 0.0 110.857 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 60.4 m -101.35 140.32 21.16 Favored Pre-proline 0 C--N 1.357 0.906 0 C-N-CA 123.594 0.757 . . . . 0.0 109.114 168.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -64.44 -28.99 62.42 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.944 2.43 . . . . 0.0 112.254 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -85.24 -2.42 58.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.076 0.95 . . . . 0.0 112.964 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -78.82 125.63 29.63 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.545 0.338 . . . . 0.0 110.896 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.48 118.76 26.11 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.89 155.93 37.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.281 0.562 . . . . 0.0 110.746 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.04 169.41 17.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.406 -165.207 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -87.14 166.95 14.59 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.119 168.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -64.38 -35.55 81.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.229 0.612 . . . . 0.0 111.519 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -70.91 -41.51 71.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.996 0.518 . . . . 0.0 109.923 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.97 85.04 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.068 0.855 . . . . 0.0 111.006 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.588 ' HB3' ' SD ' ' A' ' 40' ' ' MET . . . -72.63 -35.45 67.8 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.084 0.954 . . . . 0.0 110.873 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.35 69.33 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.164 0.586 . . . . 0.0 110.691 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.38 -51.18 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.824 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptp -60.32 -41.07 92.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.272 0.983 . . . . 0.0 110.531 -173.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.23 99.2 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.449 0.7 . . . . 0.0 111.129 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.9 -36.1 81.5 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.887 0.742 . . . . 0.0 111.466 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' O ' HG12 ' A' ' 55' ' ' ILE . 38.9 mm-40 -68.22 -45.06 74.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.71 0.404 . . . . 0.0 110.43 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 86.9 mt -66.42 -28.44 68.62 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.634 0.774 . . . . 0.0 110.887 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -71.87 -49.52 37.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.431 0.693 . . . . 0.0 111.354 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -71.88 -34.05 68.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.036 0.535 . . . . 0.0 111.712 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 51' ' ' GLU . 18.6 pt -84.39 -18.73 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.571 0.349 . . . . 0.0 110.78 176.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 59.97 69.78 0.68 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.538 1.135 . . . . 0.0 109.561 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.95 -170.34 2.97 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.471 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -66.53 96.52 0.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 110.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.2 tp -86.87 105.52 17.11 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.9 t -82.53 87.26 6.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.881 0.872 . . . . 0.0 109.298 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.19 160.42 73.37 Favored Pre-proline 0 C--O 1.25 1.106 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.737 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.37 109.88 2.94 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.163 1.908 . . . . 0.0 110.024 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -116.3 151.56 46.95 Favored Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 124.054 0.941 . . . . 0.0 109.453 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo . . . . . 0 C--N 1.378 2.102 0 C-N-CA 122.981 2.454 . . . . 0.0 112.76 -178.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.488 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 39.1 ttpt -85.36 79.12 9.59 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.679 0.752 . . . . 0.0 110.156 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -111.11 155.28 23.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.15 60.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.239 0.616 . . . . 0.0 111.289 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.09 71.82 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.903 0.881 . . . . 0.0 112.215 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.84 73.07 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.544 0.528 . . . . 0.0 110.483 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HE3' ' HG3' ' A' ' 2' ' ' LYS . 72.2 mmtt -71.65 -26.88 62.73 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.326 1.05 . . . . 0.0 111.31 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.8 m170 -70.66 -37.7 73.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.992 0.517 . . . . 0.0 110.279 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -35.34 69.43 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.076 0.86 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.426 HD11 ' HD3' ' A' ' 7' ' ' LYS . 96.6 mt -64.38 -40.58 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.865 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -66.39 -30.49 70.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.908 0.883 . . . . 0.0 110.367 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.55 ' HB3' HD13 ' A' ' 59' ' ' LEU . 5.6 mmp_? -63.4 -48.89 75.96 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -74.6 -32.57 62.4 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.796 0.685 . . . . 0.0 112.46 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -73.65 -48.79 29.72 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.674 0.39 . . . . 0.0 110.136 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -68.25 -23.9 64.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.201 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.08 -36.31 82.85 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.534 0.734 . . . . 0.0 110.57 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.82 -25.31 32.8 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -85.92 -54.65 4.37 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -120.66 -26.9 5.2 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.177 0.591 . . . . 0.0 111.855 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.97 -110.98 3.95 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 173.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -137.62 12.13 2.95 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.498 1.119 . . . . 0.0 109.092 170.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.38 -56.67 5.03 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 122.829 0.252 . . . . 0.0 113.265 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.35 128.44 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.964 0.906 . . . . 0.0 111.726 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' SER . 14.0 pt-20 -78.89 -20.13 50.22 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.62 72.25 7.54 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 170.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 38.6 t -144.95 116.13 7.93 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.663 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -75.44 -19.88 59.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.122 0.969 . . . . 0.0 112.592 -176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -67.38 110.23 3.49 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.264 0.626 . . . . 0.0 110.316 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -13.4 60.08 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.344 1.058 . . . . 0.0 112.536 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -91.35 19.67 5.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.924 0.89 . . . . 0.0 110.48 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.9 122.42 28.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.257 1.023 . . . . 0.0 108.432 -174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 158.98 26.44 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.006 0.922 . . . . 0.0 111.064 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 43.8 m 70.58 2.74 4.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.033 1.333 . . . . 0.0 111.971 -170.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 66.5 m -88.23 141.79 31.19 Favored Pre-proline 0 C--N 1.356 0.883 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 169.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.81 -5.64 17.56 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.049 2.499 . . . . 0.0 113.355 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -99.34 -15.95 18.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.071 0.948 . . . . 0.0 112.227 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -75.37 140.15 42.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.393 0.677 . . . . 0.0 110.835 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt -111.87 142.9 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.42 0.688 . . . . 0.0 109.67 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -63.64 151.29 42.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.924 0.889 . . . . 0.0 111.989 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.7 ptp -141.28 156.37 45.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.299 0.64 . . . . 0.0 109.778 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.5 162.66 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.229 1.012 . . . . 0.0 110.03 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -51.26 -49.77 60.51 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.633 1.173 . . . . 0.0 111.566 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -72.28 -37.91 68.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.179 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.18 75.2 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.037 0.535 . . . . 0.0 111.14 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.25 63.11 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.994 0.918 . . . . 0.0 110.493 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.42 92.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.231 0.612 . . . . 0.0 110.854 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -64.61 -54.34 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.023 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 55.9 tptt -63.68 -29.26 70.51 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.916 0.76 . . . . 0.0 111.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.54 77.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.513 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.69 -28.76 67.14 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.542 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.92 -49.88 64.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.901 0.481 . . . . 0.0 110.259 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 93.9 mt -66.54 -26.42 67.14 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.617 0.767 . . . . 0.0 111.032 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.85 -49.88 27.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 0.0 111.231 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.76 -37.7 76.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.92 0.488 . . . . 0.0 111.399 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.47 -18.29 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 122.943 0.497 . . . . 0.0 110.948 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 58.65 69.73 0.71 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 124.553 1.141 . . . . 0.0 109.661 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.43 -175.23 3.67 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.258 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -64.67 95.77 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.128 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.55 HD13 ' HB3' ' A' ' 12' ' ' ARG . 34.7 tp -83.62 121.0 26.66 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.813 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.21 125.98 32.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.415 0.686 . . . . 0.0 110.967 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.17 149.3 87.04 Favored Pre-proline 0 C--O 1.246 0.896 0 C-N-CA 123.538 0.735 . . . . 0.0 111.074 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.42 140.06 85.76 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.806 2.337 . . . . 0.0 111.161 165.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -73.84 120.02 79.09 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 122.45 0.3 . . . . 0.0 110.308 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--N 1.376 2.007 0 C-N-CA 122.967 2.445 . . . . 0.0 111.078 173.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -151.52 141.29 21.87 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.37 -31.64 72.01 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.488 0.715 . . . . 0.0 111.357 -169.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.75 72.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.329 0.651 . . . . 0.0 110.437 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.99 70.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.378 0.671 . . . . 0.0 111.534 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.21 67.28 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.635 0.774 . . . . 0.0 109.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -56.73 -52.36 65.28 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.54 1.15 . . . . 0.0 110.74 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -57.83 -46.15 85.14 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.207 0.942 . . . . 0.0 111.323 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.54 -38.96 81.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.787 0.68 . . . . 0.0 112.096 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.12 -39.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -65.36 -35.49 81.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.932 0.893 . . . . 0.0 111.692 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HB3' HD13 ' A' ' 59' ' ' LEU . 1.6 mmp_? -66.55 -47.32 73.22 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.726 0.81 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -74.02 -33.55 63.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 0.0 111.677 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.72 -47.29 66.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.012 0.525 . . . . 0.0 110.012 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.48 -33.59 76.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.836 0.854 . . . . 0.0 110.192 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -57.77 -46.63 84.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.347 1.029 . . . . 0.0 110.491 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.1 mt -74.05 -51.19 16.57 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.155 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.0 p -73.19 -66.69 0.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.486 0.715 . . . . 0.0 111.556 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -83.1 -38.09 22.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.36 0.664 . . . . 0.0 110.687 -171.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.6 -135.69 12.59 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.074 0.859 . . . . 0.0 111.933 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -149.15 -2.38 0.45 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.54 -35.28 3.04 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.806 -0.441 . . . . 0.0 113.702 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.76 122.61 12.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.946 1.298 . . . . 0.0 111.949 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.58 -45.24 65.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.359 1.064 . . . . 0.0 111.783 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.71 1.23 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.757 0.789 . . . . 0.0 109.986 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.3 t -75.75 113.45 13.22 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.957 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.1 p -86.17 42.19 0.97 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.118 0.967 . . . . 0.0 111.922 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -141.31 106.66 5.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -23.39 64.32 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.999 0.92 . . . . 0.0 112.548 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -88.23 39.14 0.89 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.803 0.841 . . . . 0.0 110.623 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -147.26 133.44 19.4 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.249 0.62 . . . . 0.0 109.438 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.12 156.11 38.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.27 0.628 . . . . 0.0 110.712 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 m 73.44 4.13 4.74 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.281 1.432 . . . . 0.0 112.222 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 75.5 m -92.91 134.35 27.56 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 166.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.77 -14.62 42.23 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.955 2.437 . . . . 0.0 112.508 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -80.05 -23.34 41.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.629 1.172 . . . . 0.0 111.495 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -89.36 118.77 29.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.345 0.658 . . . . 0.0 110.072 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -89.35 138.04 31.79 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -71.13 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.171 0.51 . . . . 0.0 111.561 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -173.32 4.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.0 -168.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.11 164.3 13.12 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.718 0.807 . . . . 0.0 110.665 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.44 -33.72 71.63 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.175 0.99 . . . . 0.0 112.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.453 ' O ' HG12 ' A' ' 47' ' ' ILE . 90.4 m-20 -69.98 -47.21 63.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.289 0.635 . . . . 0.0 110.299 177.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.93 73.29 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.79 0.836 . . . . 0.0 111.403 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.27 87.02 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.878 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.09 87.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.428 0.691 . . . . 0.0 111.572 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 43' ' ' ASN . 50.9 mm -63.79 -55.96 19.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.219 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.72 -24.78 65.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.919 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.46 79.27 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.955 0.502 . . . . 0.0 110.104 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.92 -33.54 73.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.315 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 28.4 mm-40 -64.07 -48.81 74.75 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.424 0.452 . . . . 0.0 110.893 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.83 -29.55 69.5 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.553 0.741 . . . . 0.0 111.287 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -68.91 -51.94 34.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.162 0.585 . . . . 0.0 110.869 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.85 -29.92 66.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.361 0.664 . . . . 0.0 111.953 -171.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.9 pt -88.98 -9.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.989 0.516 . . . . 0.0 111.227 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.453 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.7 OUTLIER 63.06 47.6 4.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.568 1.147 . . . . 0.0 109.979 178.215 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.63 168.84 10.42 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.345 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -58.44 105.43 0.29 Allowed 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.563 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 12' ' ' ARG . 54.9 tp -83.93 140.44 31.94 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.834 175.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.4 t -93.46 102.75 14.98 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.239 0.615 . . . . 0.0 109.84 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -113.22 132.07 22.59 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 109.46 0.57 Allowed 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 123.2 2.6 . . . . 0.0 112.17 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -73.02 138.97 79.34 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 123.987 0.915 . . . . 0.0 111.115 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.38 2.21 0 C-N-CA 122.766 2.31 . . . . 0.0 112.345 -178.132 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -70.33 96.66 1.15 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.25 0.62 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -78.63 155.07 29.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.728 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.9 83.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.802 0.441 . . . . 0.0 110.195 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.29 83.91 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.989 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.95 79.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.438 0.695 . . . . 0.0 111.155 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.89 -46.34 85.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.629 0.772 . . . . 0.0 110.775 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.58 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.4 m-70 -68.4 -34.1 75.43 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.536 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -45.41 73.58 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.496 0.718 . . . . 0.0 110.293 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.08 -34.54 57.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.103 0.961 . . . . 0.0 110.095 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.42 -38.73 81.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.077 0.951 . . . . 0.0 111.218 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 94.9 mtt180 -69.79 -45.18 68.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.242 0.617 . . . . 0.0 110.125 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -61.27 -39.73 91.49 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.536 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.89 -48.96 78.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.273 0.629 . . . . 0.0 110.314 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -65.1 -22.62 66.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.216 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -73.3 -42.66 62.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.902 0.481 . . . . 0.0 111.602 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD22 HD13 ' A' ' 52' ' ' LEU . 3.4 mm? -78.86 -29.79 44.76 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.263 0.483 . . . . 0.0 112.094 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -84.19 -60.94 1.94 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.49 -40.38 9.91 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.637 0.775 . . . . 0.0 111.209 -172.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -120.75 6.89 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.029 -174.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -158.43 14.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.242 0.617 . . . . 0.0 110.865 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.11 -57.84 4.97 Favored Glycine 0 C--N 1.346 1.112 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -174.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.33 108.69 0.4 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.672 1.189 . . . . 0.0 111.569 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -35.92 46.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.565 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.97 56.03 2.98 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.134 0.968 . . . . 0.0 109.365 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.536 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.2 t -100.64 137.37 39.14 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.619 -173.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -84.4 52.31 2.32 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.658 0.742 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -159.89 113.76 2.23 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.295 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.63 -24.84 61.11 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.545 0.738 . . . . 0.0 110.945 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' HB3' HD11 ' A' ' 52' ' ' LEU . 64.5 m-85 -88.49 49.9 1.87 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 0.0 109.247 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.84 129.74 15.28 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.221 1.009 . . . . 0.0 108.754 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.54 160.78 31.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.863 0.465 . . . . 0.0 110.888 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 t 69.45 2.62 3.81 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.668 1.187 . . . . 0.0 111.594 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 45.9 m -95.46 144.24 27.48 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.12 0.568 . . . . 0.0 109.553 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.95 -22.76 35.4 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.879 2.386 . . . . 0.0 112.354 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -84.07 -6.84 59.48 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.339 1.056 . . . . 0.0 112.091 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -86.34 156.74 20.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.211 1.004 . . . . 0.0 110.434 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.24 123.34 40.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 169.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -59.36 154.51 16.63 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.036 0.934 . . . . 0.0 112.215 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.2 ptp -155.29 172.41 18.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.88 0.872 . . . . 0.0 109.602 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.18 159.32 33.21 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.071 0.549 . . . . 0.0 109.767 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -68.77 -24.56 64.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.74 0.416 . . . . 0.0 110.489 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -73.9 -40.09 63.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.521 0.728 . . . . 0.0 110.373 175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.29 69.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.274 0.63 . . . . 0.0 110.593 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.52 -28.79 63.08 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.28 1.032 . . . . 0.0 110.647 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.31 -43.77 66.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.328 0.651 . . . . 0.0 110.85 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.41 -45.69 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.224 0.61 . . . . 0.0 110.169 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HB3' ' HG ' ' A' ' 17' ' ' LEU . 18.8 tptm -70.86 -27.92 64.19 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.676 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.39 94.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.462 0.705 . . . . 0.0 110.575 171.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.79 -30.71 69.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.822 0.701 . . . . 0.0 111.904 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.56 -48.79 71.2 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.936 0.398 . . . . 0.0 110.347 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 30' ' ' PHE . 63.1 mt -69.22 -27.78 65.77 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.92 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.26 -48.23 62.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.184 0.594 . . . . 0.0 110.942 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.57 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 0.4 OUTLIER -69.62 -35.23 75.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.802 0.441 . . . . 0.0 111.502 -174.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -84.24 -16.37 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 122.823 0.449 . . . . 0.0 111.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.77 68.25 0.87 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.723 1.209 . . . . 0.0 109.732 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.98 -170.78 3.26 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.874 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -59.8 102.35 0.15 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.17 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.57 127.85 45.66 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 170.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.39 76.49 7.21 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.988 0.899 . . . . 0.0 109.427 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -119.57 137.83 25.95 Favored Pre-proline 0 C--O 1.241 0.636 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.675 -173.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -71.2 108.52 2.36 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.083 1.855 . . . . 0.0 110.449 -179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -110.51 100.76 46.41 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.601 0.761 . . . . 0.0 109.791 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 C--N 1.373 1.847 0 C-N-CA 122.766 2.31 . . . . 0.0 111.64 172.787 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.567 -0.161 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -77.96 88.71 4.12 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 174.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -74.6 168.38 19.9 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.156 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -50.42 69.86 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.423 0.689 . . . . 0.0 110.847 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.79 71.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.019 0.928 . . . . 0.0 112.179 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.68 92.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.28 0.632 . . . . 0.0 110.395 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HA ' HD11 ' A' ' 10' ' ' ILE . 37.1 ttpt -75.87 -27.51 57.79 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.909 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.3 m170 -66.0 -35.37 80.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.961 0.504 . . . . 0.0 110.339 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -38.95 64.41 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.967 0.907 . . . . 0.0 110.358 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD11 ' HA ' ' A' ' 7' ' ' LYS . 98.0 mt -57.34 -43.01 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.875 0.734 . . . . 0.0 109.507 168.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.77 -29.03 65.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.155 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 11.2 mmt180 -66.47 -43.57 85.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.356 0.662 . . . . 0.0 110.165 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -70.13 -41.72 73.53 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.871 0.732 . . . . 0.0 111.135 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -59.44 -45.26 92.07 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.315 0.646 . . . . 0.0 110.422 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -67.88 -27.04 66.32 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.282 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 29.0 tt0 -75.01 -38.4 61.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.932 0.493 . . . . 0.0 110.918 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD23 HD13 ' A' ' 52' ' ' LEU . 2.3 mm? -75.15 -24.97 58.02 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 118.258 0.481 . . . . 0.0 111.749 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.6 p -93.28 -57.43 2.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.516 0.327 . . . . 0.0 111.116 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -91.05 -62.17 1.51 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.598 0.759 . . . . 0.0 110.205 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.25 -115.44 2.76 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.594 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -156.81 -0.93 0.12 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . 83.83 -34.13 3.0 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.693 -0.504 . . . . 0.0 114.148 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.71 128.56 37.79 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.801 0.84 . . . . 0.0 110.743 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.54 -71.68 0.13 Allowed 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.345 1.028 . . . . 0.0 111.166 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.92 82.96 7.37 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.381 0.61 . . . . 0.0 109.667 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.5 t -110.16 108.16 18.22 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.382 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -90.1 61.67 5.26 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.218 1.008 . . . . 0.0 110.343 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -139.03 108.47 6.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.648 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -21.2 65.64 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.841 1.256 . . . . 0.0 112.153 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -88.0 24.89 1.69 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.117 0.967 . . . . 0.0 111.303 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -147.92 138.48 23.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.229 0.611 . . . . 0.0 110.05 -171.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.09 156.94 24.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.463 0.705 . . . . 0.0 110.644 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 t 69.31 4.75 4.76 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.887 1.275 . . . . 0.0 111.629 -174.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.0 m -88.59 150.26 45.9 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 123.6 0.76 . . . . 0.0 110.125 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.77 -32.69 56.01 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.845 2.364 . . . . 0.0 112.541 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -88.57 4.42 46.95 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.281 1.032 . . . . 0.0 112.607 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -95.01 126.88 40.66 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 110.98 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.47 140.12 31.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 165.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.02 152.89 43.09 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.764 0.792 . . . . 0.0 111.407 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 ptm -154.71 147.3 24.18 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.647 -169.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.75 178.2 7.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.038 0.535 . . . . 0.0 111.229 -174.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.82 -32.94 74.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.571 0.749 . . . . 0.0 112.765 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -71.69 -45.69 61.08 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.837 0.455 . . . . 0.0 110.265 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.92 89.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.468 0.48 . . . . 0.0 110.71 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.64 73.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.977 0.911 . . . . 0.0 111.146 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.05 42.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.524 0.73 . . . . 0.0 111.195 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.2 mm -61.27 -46.24 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.711 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.18 -31.86 73.26 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.84 0.712 . . . . 0.0 110.748 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.238 0.615 . . . . 0.0 111.008 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.89 -42.07 81.78 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 124.115 0.884 . . . . 0.0 111.488 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 30.2 mm-40 -62.61 -48.17 80.58 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.046 0.538 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD13 HD23 ' A' ' 17' ' ' LEU . 86.2 mt -71.74 -26.63 62.54 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.431 -177.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -67.96 -51.45 47.29 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 123.436 0.46 . . . . 0.0 110.045 175.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -72.25 -30.3 64.74 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 122.671 0.388 . . . . 0.0 111.631 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.5 pt -87.45 -13.77 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 122.676 0.39 . . . . 0.0 110.847 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.81 64.52 1.28 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.592 1.157 . . . . 0.0 110.439 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -174.89 4.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.188 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -65.74 106.48 1.51 Allowed 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.709 0.804 . . . . 0.0 110.6 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.7 133.07 53.54 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.854 0.862 . . . . 0.0 108.847 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.9 m -99.24 -36.04 9.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.529 0.731 . . . . 0.0 110.363 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 71.49 147.53 0.12 Allowed Pre-proline 0 N--CA 1.486 1.358 0 O-C-N 125.012 1.445 . . . . 0.0 111.217 -166.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -63.64 138.58 65.13 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.698 2.266 . . . . 0.0 112.003 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.405 ' CD2' ' HA3' ' A' ' 22' ' ' GLY . 12.8 p80 -71.83 142.33 85.56 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--N 1.371 1.713 0 C-N-CA 123.238 2.625 . . . . 0.0 112.7 171.033 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.02 94.52 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -81.52 -166.02 1.09 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.694 0.798 . . . . 0.0 110.648 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 123.481 0.712 . . . . 0.0 111.433 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.58 90.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.502 0.721 . . . . 0.0 111.696 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.5 64.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.904 0.882 . . . . 0.0 111.707 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -73.69 -29.95 62.59 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.478 0.711 . . . . 0.0 110.264 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.551 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 22.1 m170 -72.37 -32.62 66.6 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.389 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -46.32 86.87 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.01 -38.93 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.157 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.17 -32.08 73.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.243 1.017 . . . . 0.0 111.105 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.551 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 9.1 mmm180 -68.87 -46.25 68.93 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -64.35 -37.73 88.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.812 0.695 . . . . 0.0 111.308 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -66.73 -49.13 67.02 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.587 0.755 . . . . 0.0 109.795 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -59.44 -37.55 78.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.288 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.44 -41.99 92.89 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.659 0.784 . . . . 0.0 110.221 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.67 -50.24 16.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.506 0.722 . . . . 0.0 111.501 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.0 p -74.71 -60.81 2.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.732 0.413 . . . . 0.0 111.266 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -83.72 -49.32 9.24 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.514 0.725 . . . . 0.0 110.927 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 -121.75 7.18 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.589 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 12.0 p -156.45 0.12 0.13 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.46 -34.49 3.29 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.435 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.489 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.3 t-20 -56.02 115.28 2.33 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.266 1.026 . . . . 0.0 111.918 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.66 -45.15 79.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.441 1.096 . . . . 0.0 111.495 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.09 45.17 1.07 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.77 0.828 . . . . 0.0 109.83 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 54.0 t -77.36 131.33 38.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.127 -175.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.9 p -87.51 -35.62 18.08 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.257 1.023 . . . . 0.0 112.691 -173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.421 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 51.3 t-20 -65.32 114.78 5.0 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.327 1.051 . . . . 0.0 111.526 -170.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -22.15 66.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.51 0.724 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.8 26.9 1.42 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.859 0.863 . . . . 0.0 111.251 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.578 ' HB3' ' HG ' ' A' ' 34' ' ' CYS . 23.5 t -142.07 139.77 32.37 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.784 0.434 . . . . 0.0 109.996 -172.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.88 159.44 32.83 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.314 0.645 . . . . 0.0 110.064 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 t 71.18 11.1 6.85 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.076 1.351 . . . . 0.0 111.043 -170.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 50.0 m -101.98 137.44 19.5 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 123.723 0.809 . . . . 0.0 108.865 167.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 -26.62 27.78 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.825 2.35 . . . . 0.0 112.229 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 p -83.89 -13.2 54.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.125 0.97 . . . . 0.0 111.924 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.51 136.16 44.08 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.823 0.344 . . . . 0.0 110.289 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -101.01 124.13 46.26 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.4 0.68 . . . . 0.0 109.187 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -70.16 90.53 0.67 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.074 0.95 . . . . 0.0 111.709 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptp -78.82 158.71 28.11 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.089 170.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.56 171.26 14.94 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.774 0.43 . . . . 0.0 110.304 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -61.6 -35.43 77.84 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.311 0.644 . . . . 0.0 112.162 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -73.57 -38.43 65.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.767 0.427 . . . . 0.0 110.248 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.33 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.202 0.601 . . . . 0.0 110.393 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.59 -26.27 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.84 0.856 . . . . 0.0 111.146 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.58 61.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.26 0.624 . . . . 0.0 110.64 174.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.26 -44.58 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.916 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -73.46 -23.85 60.14 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.847 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.27 92.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.0 110.509 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.53 -40.06 85.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.351 0.661 . . . . 0.0 111.243 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.69 -46.19 83.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.189 0.596 . . . . 0.0 111.299 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.38 -30.61 69.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.645 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.05 -53.83 43.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.148 0.579 . . . . 0.0 110.629 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -68.56 -29.33 67.86 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 pt -87.54 -6.4 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 55.59 60.46 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.237 1.015 . . . . 0.0 110.235 -173.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.3 165.3 24.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.153 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.77 112.52 2.57 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.598 174.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.0 mt -84.1 150.92 25.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.651 168.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.5 t -106.33 28.23 7.95 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.269 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -164.5 153.04 11.09 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.71 -168.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -62.28 141.63 88.38 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.721 2.281 . . . . 0.0 112.216 169.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -67.65 141.59 95.3 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 123.807 0.843 . . . . 0.0 111.19 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 CA--C 1.565 2.027 0 C-N-CA 123.215 2.61 . . . . 0.0 111.961 -178.036 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HB2' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -85.54 75.08 10.2 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-O 121.879 0.847 . . . . 0.0 111.06 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.63 163.04 35.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.038 1.335 . . . . 0.0 107.615 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.61 -60.46 3.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.99 0.516 . . . . 0.0 110.222 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.1 84.64 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.496 0.718 . . . . 0.0 111.279 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.97 86.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.245 1.018 . . . . 0.0 111.74 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.61 -50.62 71.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.124 0.89 . . . . 0.0 110.182 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 15.8 m-70 -57.21 -39.21 74.97 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.201 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.32 -33.62 76.26 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.403 1.065 . . . . 0.0 111.785 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.526 HD13 ' HB2' ' A' ' 1' ' ' MET . 73.8 mt -64.79 -45.4 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 174.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.47 -27.52 68.56 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 123.67 0.606 . . . . 0.0 111.75 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HB3' HD13 ' A' ' 59' ' ' LEU . 5.9 mmp_? -67.9 -55.34 13.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.989 0.515 . . . . 0.0 110.616 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -66.76 -34.64 78.29 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.8 0.688 . . . . 0.0 111.514 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.21 -52.73 62.62 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.343 0.657 . . . . 0.0 110.657 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -66.62 -24.34 66.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.71 0.804 . . . . 0.0 110.324 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -70.15 -40.58 74.66 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.075 0.95 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.82 -39.0 31.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -81.8 -59.44 2.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.093 0.557 . . . . 0.0 110.996 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -92.32 -42.63 9.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.333 0.653 . . . . 0.0 110.273 -171.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.81 -154.11 21.13 Favored Glycine 0 C--N 1.341 0.827 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.142 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -123.75 3.45 8.85 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.303 0.641 . . . . 0.0 111.76 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -50.0 4.33 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 122.913 0.292 . . . . 0.0 113.086 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -52.54 111.58 0.67 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.401 1.481 . . . . 0.0 111.843 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.6 -30.64 63.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.557 0.743 . . . . 0.0 111.401 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.73 1.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.9 0.88 . . . . 0.0 110.47 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.545 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 30.4 t -85.47 128.68 34.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.475 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -88.22 24.52 1.85 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.213 0.605 . . . . 0.0 112.079 -174.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 58.3 t-20 -127.03 112.34 15.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.582 0.753 . . . . 0.0 109.395 -174.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.14 -25.26 63.38 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.432 0.693 . . . . 0.0 112.103 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -89.63 45.93 1.32 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.447 1.099 . . . . 0.0 110.072 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.31 131.6 10.29 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.005 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 163.47 20.88 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 166.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m 75.86 2.81 3.74 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.092 1.357 . . . . 0.0 110.901 -165.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.545 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 61.9 m -107.48 130.42 22.85 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 123.364 0.666 . . . . 0.0 109.362 174.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.55 -30.84 93.43 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.196 2.597 . . . . 0.0 112.386 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -78.28 -3.36 42.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.464 0.706 . . . . 0.0 112.786 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -88.11 123.54 32.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.812 0.445 . . . . 0.0 110.638 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -84.15 121.11 27.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.82 122.63 16.92 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.743 0.417 . . . . 0.0 110.894 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 ptp -110.4 161.64 15.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.336 1.054 . . . . 0.0 109.869 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.96 165.64 19.62 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.424 0.69 . . . . 0.0 110.231 172.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.66 -31.97 72.33 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.158 0.583 . . . . 0.0 110.538 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.88 -48.03 82.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.303 0.641 . . . . 0.0 110.457 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.8 71.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.632 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -23.96 47.19 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.068 0.947 . . . . 0.0 111.118 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.61 52.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.21 0.604 . . . . 0.0 109.927 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.84 -50.04 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -67.93 -24.21 65.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.948 0.499 . . . . 0.0 110.235 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.34 -32.42 71.5 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.106 0.879 . . . . 0.0 111.597 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.98 -49.94 66.06 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.832 0.453 . . . . 0.0 110.361 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.52 -30.08 69.65 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.549 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.2 -50.6 45.97 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.006 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.07 -30.82 69.22 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.904 0.482 . . . . 0.0 111.309 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -85.41 -15.84 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.757 0.423 . . . . 0.0 111.115 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.55 66.06 1.06 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.646 1.179 . . . . 0.0 110.024 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.35 -175.58 4.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 114.908 -1.042 . . . . 0.0 112.055 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.01 129.14 38.92 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.525 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD13 ' HB3' ' A' ' 12' ' ' ARG . 52.2 tp -121.04 145.31 47.91 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.222 0.609 . . . . 0.0 109.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.89 111.91 24.26 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -131.72 155.52 81.31 Favored Pre-proline 0 N--CA 1.475 0.823 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -65.68 121.23 8.56 Favored 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.23 1.953 . . . . 0.0 110.344 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.74 89.16 7.34 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.75 0.82 . . . . 0.0 109.006 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo . . . . . 0 C--N 1.377 2.077 0 C-N-CA 122.531 2.154 . . . . 0.0 111.66 177.348 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.664 0.268 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.52 -6.48 53.75 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.765 0.826 . . . . 0.0 111.332 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.98 -46.57 87.05 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.54 86.62 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.116 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.88 82.56 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.695 0.798 . . . . 0.0 111.807 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.41 70.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.078 0.951 . . . . 0.0 109.746 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.52 -37.38 80.97 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.575 1.172 . . . . 0.0 110.831 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.477 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 26.8 m170 -70.19 -39.16 75.37 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.904 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.4 -40.81 77.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.351 0.66 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.87 -40.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.626 0.77 . . . . 0.0 109.339 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.46 -40.56 95.93 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.055 0.942 . . . . 0.0 109.879 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.478 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.2 mmp_? -64.88 -46.19 82.84 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.393 0.677 . . . . 0.0 111.543 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -71.6 -37.37 70.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.681 0.613 . . . . 0.0 110.887 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -66.54 -39.95 88.83 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.611 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.78 -36.39 84.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.906 1.283 . . . . 0.0 109.188 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.19 -44.33 84.24 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.745 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 3.3 mm? -68.7 -39.09 80.67 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.997 0.519 . . . . 0.0 112.014 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -85.26 -58.06 2.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.143 0.497 . . . . 0.0 111.652 -172.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.53 -61.64 1.6 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.632 0.773 . . . . 0.0 110.522 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.34 -114.92 4.11 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -158.92 1.06 0.09 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.32 -52.08 4.28 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 122.816 0.246 . . . . 0.0 113.601 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.18 110.15 1.15 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.172 0.989 . . . . 0.0 111.856 -173.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -38.99 59.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.018 1.327 . . . . 0.0 112.795 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.01 68.66 9.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.785 0.803 . . . . 0.0 109.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.6 t -133.38 107.44 8.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.7 p -92.87 70.46 4.69 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.258 1.027 . . . . 0.0 109.372 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -141.03 106.7 5.1 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.255 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.572 1.149 . . . . 0.0 112.48 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -86.35 -2.97 58.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.81 0.844 . . . . 0.0 111.862 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 16.6 t -110.86 130.51 55.56 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.382 1.073 . . . . 0.0 109.262 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . -74.03 153.33 39.72 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.394 0.678 . . . . 0.0 111.398 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m 71.74 3.44 4.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.349 1.459 . . . . 0.0 112.353 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 64.0 m -85.08 148.17 49.77 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -60.92 -35.77 86.51 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.755 2.303 . . . . 0.0 111.961 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -75.96 -11.36 59.95 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.067 0.947 . . . . 0.0 112.72 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -85.69 137.48 32.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.403 0.681 . . . . 0.0 110.24 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -114.88 148.89 38.0 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.59 126.45 29.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.914 0.886 . . . . 0.0 110.88 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.49 ' SD ' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -106.53 172.18 6.95 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.784 1.233 . . . . 0.0 110.854 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -89.54 165.74 14.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 168.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -64.46 -37.28 86.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.147 0.579 . . . . 0.0 111.346 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.71 -48.86 78.83 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.83 71.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.643 0.777 . . . . 0.0 111.865 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.49 ' HB1' ' SD ' ' A' ' 40' ' ' MET . . . -69.45 -42.16 75.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 0.0 110.895 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 -46.2 70.42 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.85 0.719 . . . . 0.0 111.462 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.433 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.9 mm -60.77 -49.24 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.705 0.628 . . . . 0.0 109.559 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 tptm -62.53 -38.02 88.36 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.807 0.692 . . . . 0.0 110.947 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.31 86.87 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.542 0.737 . . . . 0.0 111.057 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.34 -30.51 60.28 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 35.9 mm-40 -61.86 -48.47 80.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.18 0.592 . . . . 0.0 109.803 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 61.5 mt -73.63 -31.3 63.46 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.235 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.28 -47.51 82.06 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.931 0.769 . . . . 0.0 111.038 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 51' ' ' GLU . 64.5 pttt -75.02 -33.73 61.83 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.144 0.278 . . . . 0.0 111.349 -173.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 pt -87.84 -14.58 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 122.709 0.404 . . . . 0.0 111.513 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 58.79 64.5 1.42 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.54 1.136 . . . . 0.0 110.187 -175.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.69 178.07 7.62 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.38 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -57.83 95.66 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.201 1.001 . . . . 0.0 110.413 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 12' ' ' ARG . 55.9 tp -87.45 124.85 33.87 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.496 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.9 t -78.63 102.27 7.9 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 123.955 0.785 . . . . 0.0 109.721 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -67.67 146.08 98.37 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 123.424 0.689 . . . . 0.0 110.977 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 118.15 4.77 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.569 2.179 . . . . 0.0 111.872 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -93.59 108.01 30.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo . . . . . 0 C--N 1.376 2.015 0 C-N-CA 122.809 2.339 . . . . 0.0 111.906 176.153 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 88.93 7.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.201 0.524 . . . . 0.0 110.483 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -94.67 -171.92 2.6 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.229 1.011 . . . . 0.0 109.919 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.21 -59.4 2.37 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.619 1.168 . . . . 0.0 113.816 -169.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.74 83.09 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.718 0.807 . . . . 0.0 112.28 -176.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' HG13 ' A' ' 10' ' ' ILE . . . -70.53 -36.94 74.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.876 0.871 . . . . 0.0 111.256 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -70.91 -40.19 72.28 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.045 0.938 . . . . 0.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -61.93 -35.04 77.22 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.8 0.688 . . . . 0.0 110.595 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.42 -37.54 71.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.087 0.867 . . . . 0.0 111.066 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 6' ' ' ALA . 84.7 mt -64.16 -40.01 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.11 85.72 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.078 0.951 . . . . 0.0 110.925 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 4.1 mmp_? -60.36 -50.59 73.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.324 0.649 . . . . 0.0 110.116 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -69.96 -41.39 74.57 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.146 0.904 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.49 -52.64 64.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.242 0.544 . . . . 0.0 110.74 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 51.9 m80 -72.7 -19.29 61.43 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -66.62 -42.82 86.22 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 122.456 0.302 . . . . 0.0 110.772 167.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD23 HD11 ' A' ' 52' ' ' LEU . 2.6 mm? -79.13 -25.93 42.88 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 119.047 -0.501 . . . . 0.0 112.23 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 15' ' ' HIS . 80.6 p -93.17 -57.52 2.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.256 0.48 . . . . 0.0 111.424 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.57 -44.56 10.01 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.338 0.655 . . . . 0.0 110.124 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . 93.16 -108.93 3.73 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.208 -172.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -154.35 1.3 0.21 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.873 0.869 . . . . 0.0 111.593 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.25 -40.5 2.37 Favored Glycine 0 C--N 1.356 1.663 0 CA-C-O 120.003 -0.332 . . . . 0.0 113.688 -174.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -52.6 113.93 1.23 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.126 1.37 . . . . 0.0 111.626 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.18 -36.76 74.86 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 124.027 0.829 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.31 46.78 1.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.812 0.845 . . . . 0.0 110.174 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 39.7 t -75.41 162.65 28.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.484 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -137.88 72.34 1.41 Allowed 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 122.102 0.953 . . . . 0.0 110.787 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -164.05 124.49 2.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.004 0.922 . . . . 0.0 108.67 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.421 ' HA ' ' HG1' ' A' ' 36' ' ' THR . 3.3 pm0 -67.85 -35.2 78.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.368 0.667 . . . . 0.0 111.102 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -90.29 77.55 6.63 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.7 t -168.31 125.26 1.06 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.578 0.351 . . . . 0.0 110.112 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.442 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -70.67 161.16 31.27 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.318 0.647 . . . . 0.0 110.102 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 m 64.56 14.1 8.71 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 123.596 0.758 . . . . 0.0 111.379 -174.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.492 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 23.1 m -115.81 141.13 27.04 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 123.732 0.813 . . . . 0.0 109.248 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -19.01 46.43 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.013 2.475 . . . . 0.0 112.711 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.421 ' HG1' ' HA ' ' A' ' 29' ' ' GLU . 37.7 p -75.95 -7.54 54.82 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.97 0.908 . . . . 0.0 112.026 176.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.427 ' HZ ' ' HG2' ' A' ' 40' ' ' MET . 82.6 t80 -123.62 129.27 50.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.484 0.714 . . . . 0.0 110.666 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.11 132.81 35.81 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 170.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 30.2 mmt180 -56.96 146.1 28.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.09 0.956 . . . . 0.0 113.251 -172.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.427 ' HG2' ' HZ ' ' A' ' 37' ' ' PHE . 19.9 ptp -132.56 154.65 49.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.94 171.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.15 167.37 20.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.887 0.475 . . . . 0.0 110.476 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -68.49 -26.16 65.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.377 0.671 . . . . 0.0 112.502 -171.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -72.12 -46.07 58.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.196 0.599 . . . . 0.0 109.66 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.59 74.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.46 61.49 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.413 1.085 . . . . 0.0 111.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.49 68.73 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.344 0.658 . . . . 0.0 110.68 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.3 mm -60.43 -52.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.244 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' HE3' HD21 ' A' ' 52' ' ' LEU . 49.2 tptt -63.34 -26.71 68.88 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.112 0.882 . . . . 0.0 111.201 -176.632 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.59 64.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.465 0.706 . . . . 0.0 110.488 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 -28.45 63.6 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.882 0.739 . . . . 0.0 112.034 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 26.6 mm-40 -64.79 -52.27 57.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.549 HD11 HD23 ' A' ' 17' ' ' LEU . 89.0 mt -70.21 -26.19 63.75 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.802 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -69.09 -49.9 53.08 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.348 0.405 . . . . 0.0 110.92 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -74.54 -32.39 62.43 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.7 pt -81.18 -14.28 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.282 0.233 . . . . 0.0 110.647 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 56.69 63.09 2.05 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.754 1.221 . . . . 0.0 110.145 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.91 169.07 18.91 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.365 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -61.22 122.82 16.03 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.64 0.733 . . . . 0.0 110.86 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.0 tp -102.2 149.1 24.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.968 0.907 . . . . 0.0 109.009 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.1 t -106.19 41.62 1.39 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.616 0.722 . . . . 0.0 110.114 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -78.52 161.85 68.11 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 124.609 1.164 . . . . 0.0 110.787 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.62 123.8 14.72 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 123.127 2.552 . . . . 0.0 112.744 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.04 119.06 75.94 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.539 0.736 . . . . 0.0 110.388 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--N 1.375 1.953 0 C-N-CA 123.025 2.483 . . . . 0.0 111.741 178.084 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.404 ' HG2' ' H ' ' A' ' 3' ' ' ARG . 52.5 ttm . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.73 -2.21 48.33 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.705 0.802 . . . . 0.0 112.82 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 1' ' ' MET . 27.6 tpt180 -65.53 -38.58 90.07 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.06 67.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.74 74.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.257 1.023 . . . . 0.0 111.322 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.07 62.24 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.284 1.034 . . . . 0.0 110.123 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.26 -41.69 97.36 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.208 0.942 . . . . 0.0 111.398 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 39.8 m170 -65.97 -42.4 89.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.785 0.678 . . . . 0.0 110.238 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.35 -45.62 90.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.848 0.859 . . . . 0.0 110.765 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.04 -41.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.714 0.805 . . . . 0.0 109.996 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.08 -32.36 71.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.947 0.899 . . . . 0.0 110.825 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 6.3 mmt180 -72.03 -44.17 63.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.247 0.619 . . . . 0.0 109.769 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -65.98 -34.25 77.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -69.97 -55.4 9.71 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.589 0.755 . . . . 0.0 110.187 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -63.22 -24.86 68.07 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.095 0.872 . . . . 0.0 111.133 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.84 -48.64 73.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.104 0.962 . . . . 0.0 110.831 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.09 -44.2 48.69 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.967 0.507 . . . . 0.0 111.575 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 p -77.53 -59.26 2.86 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.608 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -94.45 -37.73 11.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.072 0.549 . . . . 0.0 110.953 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.51 -130.57 10.33 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.614 -171.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 9.2 p -148.24 1.84 0.64 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.765 0.826 . . . . 0.0 112.254 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.52 -33.43 3.91 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 120.001 -0.333 . . . . 0.0 113.129 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 2.9 t-20 -57.71 114.04 2.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.185 0.994 . . . . 0.0 112.019 -177.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.02 -50.98 69.88 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.652 1.181 . . . . 0.0 113.019 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.92 54.43 0.71 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.421 0.688 . . . . 0.0 109.525 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 51.2 t -76.0 138.89 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.751 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -117.97 75.53 1.01 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.328 1.061 . . . . 0.0 110.311 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -147.5 116.29 6.77 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.396 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.49 -32.31 49.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.683 1.193 . . . . 0.0 112.01 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -104.86 74.68 1.14 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.095 0.958 . . . . 0.0 108.602 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.601 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.2 t -172.35 138.84 0.96 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 118.458 0.572 . . . . 0.0 111.012 171.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 152.41 42.24 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m 69.85 18.55 7.33 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.939 1.295 . . . . 0.0 111.59 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.601 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -112.45 130.68 23.14 Favored Pre-proline 0 C--N 1.351 0.665 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 169.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.85 -22.58 63.23 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.459 2.106 . . . . 0.0 111.779 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -71.14 -23.74 62.13 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.0 1.32 . . . . 0.0 112.417 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -98.58 140.62 32.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.273 0.629 . . . . 0.0 110.486 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.59 147.12 37.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.938 0.895 . . . . 0.0 109.368 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -66.03 138.29 57.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.012 0.925 . . . . 0.0 112.617 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -136.26 159.48 41.61 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.051 0.94 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.83 161.13 31.41 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.435 0.694 . . . . 0.0 110.521 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.36 -25.99 68.21 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.215 0.606 . . . . 0.0 111.498 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.89 -54.49 30.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.781 . . . . 0.0 109.434 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.03 77.36 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.402 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.52 50.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.109 0.964 . . . . 0.0 111.542 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -45.16 68.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.822 0.449 . . . . 0.0 110.537 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.6 mm -61.26 -50.05 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.411 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.2 tptm -67.54 -26.3 66.25 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.864 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.077 0.551 . . . . 0.0 110.688 174.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.53 -38.99 91.27 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.785 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 23.9 mm-40 -67.55 -43.49 80.57 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.363 0.415 . . . . 0.0 110.581 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 81.8 mt -70.18 -26.06 63.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.276 0.63 . . . . 0.0 111.101 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.18 -45.65 32.29 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.195 0.31 . . . . 0.0 110.768 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.586 ' HZ1' ' HB3' ' A' ' 54' ' ' LYS . 0.3 OUTLIER -71.42 -27.76 63.52 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.844 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 pt -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 122.637 0.375 . . . . 0.0 110.127 174.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 57.08 74.89 0.39 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.137 -172.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.3 179.46 7.66 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.37 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -67.85 102.42 1.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 121.912 0.863 . . . . 0.0 109.817 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.46 146.25 27.72 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.939 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.3 t -101.73 34.63 2.57 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.004 0.922 . . . . 0.0 109.908 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 31.7 t70 -137.87 131.33 16.85 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 4.9 Cg_exo -77.85 112.44 3.28 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.533 2.155 . . . . 0.0 113.057 -161.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -125.01 96.69 39.51 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo . . . . . 0 C--N 1.379 2.141 0 C-N-CA 123.046 2.497 . . . . 0.0 111.875 178.357 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? 57.47 70.14 0.68 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.458 1.103 . . . . 0.0 110.107 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -61.06 -32.18 71.82 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.58 10.94 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.066 0.546 . . . . 0.0 111.274 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.71 -28.54 66.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.028 0.531 . . . . 0.0 111.264 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.63 78.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.004 0.922 . . . . 0.0 110.607 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HA ' HD12 ' A' ' 10' ' ' ILE . 87.5 tttt -70.0 -34.02 72.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.529 0.732 . . . . 0.0 110.142 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t-160 -73.79 -24.79 59.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.537 175.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -33.74 54.82 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 7' ' ' LYS . 96.6 mt -63.01 -37.57 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.27 -29.36 68.96 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.435 1.094 . . . . 0.0 110.953 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 7.3 mmm180 -64.44 -44.47 91.05 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.02 -31.32 62.87 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.681 0.792 . . . . 0.0 112.089 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -72.26 -43.91 63.63 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -63.88 -36.01 82.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.442 1.089 . . . . 0.0 109.782 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.16 -30.67 71.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.166 0.987 . . . . 0.0 111.441 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.73 -51.71 6.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.805 0.442 . . . . 0.0 111.847 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.8 p -77.2 -39.68 47.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.962 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -103.46 -41.88 5.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.419 0.688 . . . . 0.0 110.37 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -128.11 9.41 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.09 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 p -153.83 16.02 0.5 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.822 0.449 . . . . 0.0 111.896 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.99 -32.89 2.68 Favored Glycine 0 C--N 1.354 1.532 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -56.63 113.6 1.7 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.215 1.006 . . . . 0.0 111.256 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.96 -25.25 57.65 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.946 0.898 . . . . 0.0 112.672 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.09 71.55 1.44 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 123.65 0.78 . . . . 0.0 109.952 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 42.2 t -80.85 142.31 33.76 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.74 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.3 p -110.45 62.43 0.6 Allowed 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.471 0.653 . . . . 0.0 110.833 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.407 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 41.7 t30 -152.18 114.47 4.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 178.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 -21.71 64.07 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.555 0.742 . . . . 0.0 111.961 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -90.12 29.83 1.17 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.205 1.002 . . . . 0.0 111.296 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.682 ' HB3' ' HG ' ' A' ' 34' ' ' CYS . 49.1 t -154.91 142.16 19.45 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 122.115 -0.366 . . . . 0.0 111.837 -171.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -77.52 167.08 22.23 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 165.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m 75.67 4.2 3.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.71 1.204 . . . . 0.0 110.07 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.682 ' HG ' ' HB3' ' A' ' 31' ' ' CYS . 56.0 m -102.01 141.12 21.9 Favored Pre-proline 0 C--N 1.353 0.725 0 C-N-CA 124.306 1.042 . . . . 0.0 109.537 174.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -68.77 -22.59 36.79 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.804 2.336 . . . . 0.0 111.961 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.1 p -86.08 -10.53 54.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.187 0.995 . . . . 0.0 112.405 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -85.77 144.18 27.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.763 0.425 . . . . 0.0 110.328 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.1 tp -120.77 139.11 53.58 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -69.15 151.06 46.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.103 0.954 . . . . 0.0 111.818 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -139.86 178.98 6.86 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 113.65 -1.613 . . . . 0.0 109.511 -169.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -81.4 156.34 25.46 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.387 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -35.83 77.36 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.508 0.723 . . . . 0.0 112.095 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -74.11 -31.48 62.8 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.032 0.533 . . . . 0.0 110.561 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.04 80.27 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.787 0.435 . . . . 0.0 110.003 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.71 68.85 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.571 0.749 . . . . 0.0 110.867 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.0 66.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.353 0.661 . . . . 0.0 110.978 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.5 mm -63.76 -48.49 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.277 0.631 . . . . 0.0 109.598 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.551 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.0 tptm -66.49 -32.07 73.2 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.628 0.58 . . . . 0.0 110.76 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.15 87.85 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.029 0.532 . . . . 0.0 110.932 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.66 -37.3 76.65 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.944 0.777 . . . . 0.0 111.126 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 14.4 mm-40 -62.96 -40.01 96.41 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.47 0.481 . . . . 0.0 110.006 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 44.8 mt -73.47 -35.3 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.412 0.685 . . . . 0.0 110.84 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.72 -40.71 76.09 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.941 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -73.66 -36.19 65.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 122.309 0.244 . . . . 0.0 110.847 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.9 pt -86.03 -12.35 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.636 0.374 . . . . 0.0 111.526 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m120 59.15 65.65 1.16 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.294 1.038 . . . . 0.0 109.252 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 178.3 4.12 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.707 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.38 94.44 0.08 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.32 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 36.1 tp -88.31 115.5 25.85 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 -172.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.86 75.3 10.12 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.017 171.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . 12.1 p-10 -94.69 144.68 28.29 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.73 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.36 113.56 1.83 Allowed 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.766 2.311 . . . . 0.0 111.205 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -91.08 106.21 15.12 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.559 0.744 . . . . 0.0 110.34 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 C--N 1.378 2.111 0 C-N-CA 123.232 2.622 . . . . 0.0 112.619 -178.717 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -66.32 105.11 1.35 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.511 0.724 . . . . 0.0 110.31 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 58.5 ttm-85 -151.99 158.28 42.88 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.892 0.877 . . . . 0.0 108.794 -176.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.92 -32.22 69.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 0.0 110.711 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.456 ' H ' ' HG2' ' A' ' 3' ' ' ARG . . . -64.15 -42.3 96.81 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.577 0.751 . . . . 0.0 110.588 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.48 85.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 124.058 0.849 . . . . 0.0 110.571 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.93 -38.1 81.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.379 1.072 . . . . 0.0 110.988 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.82 -33.96 64.38 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.602 0.564 . . . . 0.0 110.811 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.13 -41.96 73.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.407 0.683 . . . . 0.0 110.288 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 98.3 mt -65.01 -36.1 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 123.344 0.658 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.83 -44.39 96.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.16 0.984 . . . . 0.0 110.366 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.573 ' HB3' HD13 ' A' ' 59' ' ' LEU . 2.6 mmp_? -64.64 -46.81 80.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -71.57 -37.41 71.04 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.369 0.667 . . . . 0.0 111.88 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.72 -51.08 37.46 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.072 0.549 . . . . 0.0 110.095 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -59.95 -31.24 69.68 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.318 1.011 . . . . 0.0 110.459 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -63.46 -41.55 98.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.54 0.736 . . . . 0.0 111.275 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.498 HD13 ' HB3' ' A' ' 48' ' ' LYS . 52.1 mt -81.84 -36.71 27.99 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.3 p -84.18 -56.07 3.85 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.323 0.649 . . . . 0.0 110.921 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -100.73 -30.78 11.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.035 0.934 . . . . 0.0 111.725 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.36 -130.66 10.4 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -172.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -155.61 18.06 0.39 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.571 0.748 . . . . 0.0 110.842 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -55.88 1.64 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 122.817 0.246 . . . . 0.0 112.915 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -70.61 116.53 11.04 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.136 0.574 . . . . 0.0 111.438 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.45 -47.71 75.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.941 0.896 . . . . 0.0 111.025 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.22 65.18 6.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.796 0.839 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.706 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.6 t -111.91 123.4 50.17 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.446 1.098 . . . . 0.0 109.051 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -85.88 69.0 10.53 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.972 1.367 . . . . 0.0 109.608 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -148.4 115.28 6.06 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.813 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.98 -16.15 60.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.108 0.963 . . . . 0.0 112.25 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -115.8 82.52 1.78 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.729 1.212 . . . . 0.0 108.677 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -167.9 123.16 1.01 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.37 46.88 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.165 0.438 . . . . 0.0 110.526 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.7 t 69.79 11.36 7.8 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.802 1.314 . . . . 0.0 111.428 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.706 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m -109.41 136.36 20.22 Favored Pre-proline 0 C--N 1.357 0.922 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.45 -19.87 42.52 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.028 2.485 . . . . 0.0 112.036 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.5 p -72.31 -18.14 61.8 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.875 1.27 . . . . 0.0 111.604 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.85 127.56 54.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.885 0.474 . . . . 0.0 111.515 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.09 111.16 22.51 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.24 162.93 16.3 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 122.072 0.939 . . . . 0.0 112.324 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.0 ptp -145.46 171.22 14.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.62 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.84 173.12 12.83 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.695 0.398 . . . . 0.0 110.355 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -35.89 82.36 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.414 0.686 . . . . 0.0 112.629 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -73.64 -39.28 64.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.9 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.59 64.1 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.028 0.931 . . . . 0.0 111.049 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.04 45.93 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.407 0.683 . . . . 0.0 110.634 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -60.69 -46.63 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.967 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.503 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 20.2 tptp -63.46 -37.51 87.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.346 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.99 99.59 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.685 0.794 . . . . 0.0 111.069 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.17 -30.73 67.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.033 0.833 . . . . 0.0 111.482 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.14 -41.87 80.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.527 0.331 . . . . 0.0 110.64 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 48.8 mt -70.86 -27.44 63.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.235 0.614 . . . . 0.0 110.925 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.74 -49.96 54.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.888 0.875 . . . . 0.0 110.355 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HZ2' ' HB2' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -73.62 -36.19 65.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 0.0 112.267 -173.096 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.429 HD13 ' HB1' ' A' ' 57' ' ' ALA . 20.3 pt -82.98 -20.76 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 122.808 0.443 . . . . 0.0 110.931 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.7 t30 60.47 74.05 0.46 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.753 1.221 . . . . 0.0 109.66 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' HB1' HD13 ' A' ' 55' ' ' ILE . . . -82.68 -170.92 3.22 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.381 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.81 127.91 34.28 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.119 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' ' 12' ' ' ARG . 46.5 tp -120.45 140.27 51.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.121 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.5 m -96.91 69.46 2.4 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 124.355 1.062 . . . . 0.0 108.216 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.78 163.15 47.66 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.324 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.57 106.17 0.85 Allowed 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 121.637 1.558 . . . . 0.0 109.928 170.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -99.51 113.96 65.27 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 123.436 0.694 . . . . 0.0 110.05 -168.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--N 1.377 2.064 0 C-N-CA 123.165 2.577 . . . . 0.0 111.592 175.015 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -64.2 126.4 27.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.338 0.655 . . . . 0.0 109.458 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -74.74 -23.68 58.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.922 0.489 . . . . 0.0 111.727 -175.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.59 68.69 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.82 97.8 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.328 0.651 . . . . 0.0 110.724 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.86 53.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.228 1.011 . . . . 0.0 111.1 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -58.08 -51.03 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.924 0.89 . . . . 0.0 111.485 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.558 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.5 m170 -70.26 -28.03 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -50.37 70.53 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.089 0.555 . . . . 0.0 109.882 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -58.58 -41.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.472 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.91 -36.45 83.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.345 1.058 . . . . 0.0 111.293 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.596 ' HB3' HD21 ' A' ' 59' ' ' LEU . 64.0 mtm180 -72.74 -35.85 67.62 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.489 0.493 . . . . 0.0 110.61 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -69.75 -39.39 76.78 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.828 0.705 . . . . 0.0 110.962 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -66.91 -44.7 80.09 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.633 0.773 . . . . 0.0 109.806 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -64.92 -34.33 78.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.185 0.994 . . . . 0.0 110.506 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 43.5 tt0 -66.94 -33.58 75.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.432 1.093 . . . . 0.0 110.907 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.4 -35.83 27.3 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.631 0.372 . . . . 0.0 111.898 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -85.6 -60.88 1.89 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.245 0.618 . . . . 0.0 111.728 -174.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -92.27 -35.42 13.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.38 0.672 . . . . 0.0 110.903 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.471 ' HA2' ' O ' ' A' ' 16' ' ' GLN . . . 92.11 -110.88 3.95 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.59 12.18 0.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.923 0.889 . . . . 0.0 109.794 170.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -44.55 3.15 Favored Glycine 0 C--N 1.359 1.81 0 N-CA-C 114.109 0.404 . . . . 0.0 114.109 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -69.71 134.66 48.9 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.071 0.949 . . . . 0.0 111.974 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.9 -34.74 51.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.082 0.953 . . . . 0.0 111.356 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.47 4.91 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.247 1.019 . . . . 0.0 110.156 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.456 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 14.0 t -120.39 126.01 49.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.327 1.051 . . . . 0.0 110.26 -173.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -91.55 37.45 0.96 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.792 0.837 . . . . 0.0 110.987 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.509 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 49.6 t-20 -127.37 113.25 16.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.13 -19.54 53.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.159 0.983 . . . . 0.0 112.195 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -92.96 37.92 1.03 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.051 0.94 . . . . 0.0 109.591 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 16' ' ' GLN . 51.0 t -143.88 122.71 12.69 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.456 0.302 . . . . 0.0 111.449 -168.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.39 162.25 15.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.579 0.752 . . . . 0.0 111.121 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 m 65.6 8.37 5.09 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.074 0.949 . . . . 0.0 111.967 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 14.6 m -110.73 140.91 23.09 Favored Pre-proline 0 C--N 1.359 0.982 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.45 -14.22 36.7 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.812 2.341 . . . . 0.0 112.575 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.5 p -88.84 10.73 20.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.573 1.149 . . . . 0.0 111.804 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -112.2 132.14 55.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.566 0.746 . . . . 0.0 110.803 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.81 126.3 35.98 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -67.08 152.55 45.56 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.775 0.83 . . . . 0.0 111.285 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.596 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.35 176.06 9.03 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.431 -166.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -91.71 159.51 15.81 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -36.58 79.96 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.975 0.51 . . . . 0.0 111.619 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.41 -40.6 93.59 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.302 0.641 . . . . 0.0 110.438 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.59 81.21 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.315 0.646 . . . . 0.0 110.845 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -70.56 -34.16 71.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.076 0.95 . . . . 0.0 110.784 177.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -48.65 64.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.183 0.593 . . . . 0.0 110.348 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.66 -50.48 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.767 0.827 . . . . 0.0 109.97 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.446 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 tptm -70.47 -25.65 63.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.986 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.66 98.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.025 0.53 . . . . 0.0 110.529 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.34 -31.79 69.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.569 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.98 -43.67 74.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.683 0.393 . . . . 0.0 110.903 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.6 mt -69.95 -27.4 64.71 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.137 0.575 . . . . 0.0 110.671 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -67.98 -51.67 44.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.506 0.722 . . . . 0.0 111.203 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' HZ1' ' HB2' ' A' ' 54' ' ' LYS . 0.1 OUTLIER -70.46 -30.14 66.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.175 0.59 . . . . 0.0 111.882 -173.446 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -90.75 -12.96 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.632 0.373 . . . . 0.0 111.236 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 58.42 60.67 2.51 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.746 1.219 . . . . 0.0 110.665 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 173.26 9.74 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.076 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 28' ' ' ASN . 15.6 ptmt -59.66 126.52 27.92 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.447 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.596 HD21 ' HB3' ' A' ' 12' ' ' ARG . 4.7 tt -121.01 134.38 55.3 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.958 0.503 . . . . 0.0 110.114 -171.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.9 m -91.09 88.21 6.88 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.166 0.587 . . . . 0.0 109.754 172.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -91.74 168.82 12.37 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.79 107.6 1.51 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 121.395 1.397 . . . . 0.0 110.43 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -108.53 155.66 40.08 Favored Pre-proline 0 N--CA 1.484 1.249 0 C-N-CA 123.396 0.679 . . . . 0.0 110.628 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--N 1.381 2.238 0 C-N-CA 122.704 2.269 . . . . 0.0 111.865 175.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.28 99.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.422 0.689 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.03 86.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.647 0.779 . . . . 0.0 111.466 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -65.43 -40.87 93.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.545 0.738 . . . . 0.0 110.942 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 m80 -70.97 -33.56 70.56 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.731 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -46.42 88.77 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.154 0.582 . . . . 0.0 109.555 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.48 -37.46 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.337 1.055 . . . . 0.0 110.429 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.44 -24.95 62.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.91 0.884 . . . . 0.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 86.0 mtt180 -77.69 -34.36 52.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.743 0.417 . . . . 0.0 110.309 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -68.16 -41.65 81.21 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 123.767 0.667 . . . . 0.0 110.215 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.0 -41.96 94.93 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.886 0.874 . . . . 0.0 110.085 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.66 -36.81 84.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.904 0.882 . . . . 0.0 109.59 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.01 -38.7 86.99 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.126 0.892 . . . . 0.0 111.228 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.3 -41.36 25.06 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.3 p -78.27 -59.74 2.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.22 0.464 . . . . 0.0 111.799 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -101.77 -22.02 14.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.185 0.594 . . . . 0.0 111.849 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.26 -144.62 17.32 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 122.913 0.292 . . . . 0.0 112.85 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' OD1' ' A' ' 23' ' ' ASN . 20.1 p -131.93 9.38 4.53 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.42 0.688 . . . . 0.0 111.701 177.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.5 -42.14 2.92 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 114.589 0.595 . . . . 0.0 114.589 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.546 ' OD1' ' SG ' ' A' ' 21' ' ' CYS . 32.3 p-10 -72.13 138.89 48.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.804 0.441 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.29 -43.69 73.32 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 75.79 10.21 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.668 0.747 . . . . 0.0 110.484 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.4 t -134.68 122.4 22.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.417 172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -116.53 69.85 0.75 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 123.144 1.449 . . . . 0.0 108.897 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -127.92 113.6 16.09 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.42 -26.55 68.5 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.348 0.659 . . . . 0.0 111.915 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -87.39 23.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.027 0.931 . . . . 0.0 111.259 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 52.6 t -146.84 138.28 24.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 122.926 0.491 . . . . 0.0 111.83 -170.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 165.32 23.93 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.841 1.256 . . . . 0.0 109.145 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 72.14 3.71 4.77 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.74 1.216 . . . . 0.0 111.018 -168.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 24.8 m -109.38 143.78 28.46 Favored Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 124.754 1.221 . . . . 0.0 108.878 175.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.15 -32.37 93.18 Favored 'Trans proline' 0 C--N 1.379 2.162 0 C-N-CA 123.325 2.683 . . . . 0.0 113.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -81.84 1.06 36.62 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.61 1.164 . . . . 0.0 113.437 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 72.1 t80 -84.08 133.77 34.63 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.632 . . . . 0.0 111.617 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -103.49 127.51 50.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -58.7 108.44 0.65 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.253 1.021 . . . . 0.0 111.876 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 23.2 ptp -101.95 168.89 9.12 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.044 0.938 . . . . 0.0 110.399 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.96 165.18 25.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.987 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.57 -26.03 62.44 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.8 0.44 . . . . 0.0 111.588 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.12 -44.22 72.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.32 71.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.04 0.936 . . . . 0.0 111.389 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.61 -35.21 75.06 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.141 0.976 . . . . 0.0 110.524 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.86 60.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.97 -49.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.432 0.693 . . . . 0.0 109.784 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.4 -23.19 58.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.45 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.68 94.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.054 0.541 . . . . 0.0 110.277 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.51 -36.87 79.47 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.01 0.819 . . . . 0.0 112.168 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -62.59 -55.35 27.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.658 0.383 . . . . 0.0 110.767 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.61 -27.1 68.15 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.291 0.995 . . . . 0.0 111.505 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.74 -53.52 21.42 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.004 0.522 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -69.88 -35.2 74.47 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.611 0.569 . . . . 0.0 110.944 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.24 -17.38 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.816 0.446 . . . . 0.0 110.587 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 57.44 65.73 1.29 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.817 1.247 . . . . 0.0 110.339 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.67 -165.97 1.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.416 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -69.95 96.53 1.04 Allowed 'General case' 0 C--O 1.243 0.75 0 C-N-CA 123.323 0.649 . . . . 0.0 110.309 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.6 tp -91.27 140.44 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 173.182 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.81 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.745 0.818 . . . . 0.0 111.272 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.62 82.74 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.983 0.802 . . . . 0.0 110.807 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.26 -29.21 67.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.595 0.758 . . . . 0.0 112.138 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -69.39 -32.97 72.33 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.578 0.549 . . . . 0.0 110.434 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.64 -44.05 44.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.499 0.72 . . . . 0.0 110.9 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.79 -39.35 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.09 0.556 . . . . 0.0 109.768 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.71 -48.75 77.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.508 1.523 . . . . 0.0 111.136 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HE ' HD21 ' A' ' 59' ' ' LEU . 84.7 mtm-85 -74.77 -31.67 61.84 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -76.21 -40.35 52.41 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.992 0.517 . . . . 0.0 110.427 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -58.15 -51.84 68.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.02 0.928 . . . . 0.0 111.027 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -76.53 -20.94 56.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.89 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.74 -35.76 80.84 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.086 0.47 . . . . 0.0 110.527 169.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 48' ' ' LYS . 54.7 mt -89.74 -40.28 12.61 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 112.467 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -77.41 -53.75 7.27 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.918 0.487 . . . . 0.0 111.106 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -91.81 -50.89 5.49 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.654 0.74 . . . . 0.0 110.161 -175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.68 -116.84 5.5 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.719 -172.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -156.05 -1.8 0.13 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.02 0.528 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.43 -33.87 1.8 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.188 0.449 . . . . 0.0 113.828 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.01 125.07 26.31 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.47 1.108 . . . . 0.0 111.18 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.65 -40.31 92.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.411 1.084 . . . . 0.0 111.443 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.11 6.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.777 0.831 . . . . 0.0 109.962 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.8 t -135.74 107.9 7.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -84.81 -5.02 59.32 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.573 1.149 . . . . 0.0 113.432 -172.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -82.84 112.35 19.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.903 0.481 . . . . 0.0 110.589 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -22.18 66.86 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.238 1.015 . . . . 0.0 112.037 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -88.53 28.74 1.07 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.71 0.804 . . . . 0.0 111.551 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -139.75 139.23 36.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.338 0.655 . . . . 0.0 109.721 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 163.17 28.32 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m 73.98 3.54 4.45 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.891 1.276 . . . . 0.0 111.178 -169.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.9 m -101.48 139.33 20.32 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.943 0.897 . . . . 0.0 110.03 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.52 -39.12 93.46 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.551 2.834 . . . . 0.0 113.364 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -89.1 8.16 31.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.133 0.973 . . . . 0.0 113.084 -172.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -82.32 139.39 34.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.0 0.52 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.05 118.16 36.45 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.8 125.67 24.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.006 0.816 . . . . 0.0 112.916 -172.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.0 ptp -133.34 119.94 20.35 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 124.088 0.955 . . . . 0.0 108.438 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.33 -174.29 3.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 110.958 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -43.35 -48.52 6.94 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 125.755 1.622 . . . . 0.0 115.198 -161.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.01 -49.25 47.14 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.444 0.565 . . . . 0.0 110.449 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.21 72.0 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 111.949 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.68 -25.77 26.34 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.47 67.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.317 0.647 . . . . 0.0 109.99 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.56 -50.05 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.131 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HB3' HD13 ' A' ' 17' ' ' LEU . 40.7 tptt -70.13 -22.61 62.98 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.115 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.69 89.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.17 0.588 . . . . 0.0 110.322 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 -39.19 91.0 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.308 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.06 -53.6 55.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.615 0.766 . . . . 0.0 111.032 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.28 -22.57 62.85 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.648 0.779 . . . . 0.0 111.439 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -74.04 -50.76 18.28 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 122.545 0.338 . . . . 0.0 110.816 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.79 -33.17 72.01 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -172.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.96 -14.66 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.736 0.415 . . . . 0.0 111.207 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.72 60.99 1.5 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.408 1.083 . . . . 0.0 110.16 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.18 178.71 7.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.047 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.64 105.84 1.64 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.742 0.817 . . . . 0.0 111.17 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD21 ' HE ' ' A' ' 12' ' ' ARG . 55.0 tp -87.09 136.05 33.07 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.241 0.625 0 C-N-CA 123.244 0.618 . . . . 0.0 112.472 -173.569 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.713 0.292 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.42 74.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.722 0.809 . . . . 0.0 110.704 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.796 0.839 . . . . 0.0 111.305 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -63.25 -44.3 95.57 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.031 0.832 . . . . 0.0 109.537 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.9 m170 -61.5 -35.06 76.63 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.003 0.815 . . . . 0.0 111.257 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -37.04 73.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.951 0.901 . . . . 0.0 110.002 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.23 -38.08 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.671 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 36.1 mm-40 -65.59 -30.85 71.64 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.583 0.753 . . . . 0.0 111.783 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.7 mmp_? -66.8 -47.34 72.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.1 -36.29 81.64 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.315 1.009 . . . . 0.0 111.838 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.29 -49.83 57.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.754 0.422 . . . . 0.0 110.171 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -64.51 -29.16 70.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.66 0.784 . . . . 0.0 110.16 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 25.5 tt0 -64.25 -40.22 95.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.735 0.814 . . . . 0.0 110.643 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.02 -48.49 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.537 0.735 . . . . 0.0 112.172 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 p -82.81 -29.9 29.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.062 0.545 . . . . 0.0 112.253 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -117.95 -54.96 2.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.42 . . . . 0.0 111.339 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.1 -141.39 16.95 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.751 -172.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 p -141.36 2.28 1.65 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.273 1.029 . . . . 0.0 112.005 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.03 -33.07 6.02 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.881 -0.399 . . . . 0.0 112.383 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -51.14 118.62 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.477 1.111 . . . . 0.0 112.042 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.12 -47.21 83.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.95 104.05 13.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.25 1.02 . . . . 0.0 109.635 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -141.28 134.63 29.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.542 1.137 . . . . 0.0 108.179 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -114.55 83.55 1.91 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.17 0.988 . . . . 0.0 109.404 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -155.11 125.5 6.81 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.468 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.01 -16.83 63.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.889 1.276 . . . . 0.0 112.569 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.83 -0.09 31.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.701 0.8 . . . . 0.0 112.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.0 t -107.59 138.21 44.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.724 0.41 . . . . 0.0 110.114 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -72.73 149.07 44.06 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.926 0.49 . . . . 0.0 110.988 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m 74.91 4.33 4.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.326 1.45 . . . . 0.0 112.355 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 83.7 m -85.53 150.93 55.08 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.65 0.78 . . . . 0.0 110.343 175.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.99 -46.94 30.35 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 123.509 2.806 . . . . 0.0 114.021 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.0 p -89.31 16.06 8.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.91 0.884 . . . . 0.0 112.575 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 69.6 t80 -110.44 146.99 34.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.31 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.2 138.43 51.71 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.598 1.159 . . . . 0.0 108.761 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 21.8 mmt180 -68.02 117.11 9.45 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.668 0.605 . . . . 0.0 110.845 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.406 ' SD ' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.22 164.55 13.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.703 0.801 . . . . 0.0 110.672 175.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.05 162.75 18.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.796 0.839 . . . . 0.0 109.789 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -63.54 -37.01 85.68 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.996 0.519 . . . . 0.0 111.3 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -74.47 -35.74 63.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.616 0.766 . . . . 0.0 110.328 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.7 81.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.25 0.62 . . . . 0.0 110.532 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.36 -29.77 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 110.701 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -49.93 65.47 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.738 0.649 . . . . 0.0 110.258 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.0 -48.7 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.622 0.769 . . . . 0.0 110.058 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 50.1 tptt -63.44 -36.31 83.31 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.918 0.761 . . . . 0.0 110.582 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.94 98.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.413 0.685 . . . . 0.0 110.965 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -37.04 80.64 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.357 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.84 -40.39 72.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.623 0.369 . . . . 0.0 111.263 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 83.5 mt -70.49 -28.23 64.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.183 0.593 . . . . 0.0 110.726 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -69.67 -53.96 16.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.159 0.584 . . . . 0.0 110.474 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.57 -40.96 98.54 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.338 0.655 . . . . 0.0 111.846 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 pt -81.81 -20.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.874 0.47 . . . . 0.0 110.962 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 m120 56.28 73.64 0.43 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.767 1.227 . . . . 0.0 110.32 -170.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.74 -167.19 1.03 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.959 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.03 95.61 0.73 Allowed 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -78.72 131.78 36.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.387 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 C--O 1.245 0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.578 -177.499 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.73 87.35 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.392 0.677 . . . . 0.0 111.051 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB1' ' OH ' ' A' ' 53' ' ' TYR . . . -75.09 -26.03 58.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.797 1.239 . . . . 0.0 111.653 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -74.12 -52.62 11.99 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.514 1.126 . . . . 0.0 108.501 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 23.1 m-70 -70.42 -22.73 62.7 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.207 178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -43.1 92.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.176 0.99 . . . . 0.0 109.091 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.12 -35.2 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.446 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.35 -26.17 65.46 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.633 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.2 mmp_? -71.28 -42.78 68.3 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.322 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HA ' ' A' ' 53' ' ' TYR . 41.5 m-85 -63.94 -49.19 73.58 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.499 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.6 -39.13 76.15 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.712 0.805 . . . . 0.0 110.229 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.82 -42.84 97.56 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 124.204 0.94 . . . . 0.0 109.933 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -69.31 -25.87 64.44 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.75 0.656 . . . . 0.0 111.603 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 52' ' ' LEU . 2.5 mm? -87.26 -31.21 20.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.563 0.345 . . . . 0.0 111.883 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.0 p -87.96 -52.39 5.3 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 117.891 0.314 . . . . 0.0 111.554 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.58 -31.99 7.29 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.699 0.8 . . . . 0.0 112.433 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 -108.11 3.64 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -171.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.1 p -150.29 10.17 0.67 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.065 0.946 . . . . 0.0 110.473 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.03 -49.33 1.96 Allowed Glycine 0 C--N 1.355 1.585 0 C-N-CA 122.869 0.271 . . . . 0.0 112.693 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -66.15 116.5 7.3 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.414 0.686 . . . . 0.0 111.043 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -33.99 68.25 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.506 0.723 . . . . 0.0 111.224 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 48.76 1.69 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.479 1.111 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.591 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 42.4 t -102.64 124.28 47.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.819 1.247 . . . . 0.0 110.09 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.4 p -82.95 31.12 0.43 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.171 0.989 . . . . 0.0 112.868 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -112.36 113.29 25.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.537 1.135 . . . . 0.0 108.179 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -23.48 63.97 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.209 1.004 . . . . 0.0 112.461 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -90.05 23.03 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.497 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -126.76 126.03 42.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.426 0.69 . . . . 0.0 110.678 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.7 162.0 29.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.504 0.722 . . . . 0.0 110.262 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t 71.35 1.13 3.72 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 124.957 1.303 . . . . 0.0 111.325 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 36.1 m -99.65 144.78 28.95 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 122.97 0.508 . . . . 0.0 109.753 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.37 -5.7 17.29 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.85 2.367 . . . . 0.0 112.26 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -101.08 12.62 37.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.644 1.178 . . . . 0.0 111.511 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -120.62 156.1 32.37 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.659 0.784 . . . . 0.0 110.069 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.2 tp -115.24 111.94 21.7 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.567 1.147 . . . . 0.0 108.311 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -56.02 139.35 47.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 0.0 111.216 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -130.86 165.59 22.71 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.955 0.902 . . . . 0.0 110.146 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.6 162.4 25.97 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.033 0.933 . . . . 0.0 110.359 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -60.79 -40.79 93.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.855 0.862 . . . . 0.0 111.748 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -70.57 -39.24 74.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.884 0.474 . . . . 0.0 110.125 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.31 71.95 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.392 0.677 . . . . 0.0 110.863 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -28.82 60.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.223 1.009 . . . . 0.0 110.442 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -36.91 63.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.829 0.852 . . . . 0.0 111.047 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.5 -49.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.566 0.746 . . . . 0.0 109.827 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -67.65 -34.38 76.83 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.632 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.36 93.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.457 0.703 . . . . 0.0 110.622 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -36.72 66.6 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 124.293 0.996 . . . . 0.0 110.719 -178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 68.8 mm-40 -59.82 -55.38 34.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.53 0.732 . . . . 0.0 110.141 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 17' ' ' LEU . 73.6 mt -67.22 -26.35 66.55 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.107 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' OH ' ' HB1' ' A' ' 6' ' ' ALA . 48.4 t80 -65.79 -54.53 25.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.288 0.635 . . . . 0.0 111.061 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 21.2 pttp -71.07 -28.03 64.06 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.748 0.655 . . . . 0.0 111.769 -171.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.6 pt -89.29 -14.56 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.655 0.382 . . . . 0.0 111.57 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 58.76 68.26 0.84 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.757 1.223 . . . . 0.0 110.957 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.28 -179.94 6.0 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.838 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.85 117.14 11.98 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.256 1.023 . . . . 0.0 111.762 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.92 145.57 26.89 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 110.555 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.237 0.405 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.692 166.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.314 0.102 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.41 75.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.337 0.655 . . . . 0.0 111.501 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.49 44.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.669 0.788 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -59.55 -46.2 89.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.688 0.795 . . . . 0.0 110.728 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.594 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 55.9 m-70 -72.36 -23.72 61.17 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.495 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -46.71 64.59 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.135 0.574 . . . . 0.0 109.613 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.86 -36.23 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.986 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.1 -35.54 77.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.84 1.256 . . . . 0.0 111.223 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 91.0 mtt180 -71.59 -39.45 70.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 123.575 0.547 . . . . 0.0 111.507 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -67.93 -38.24 82.64 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.857 0.723 . . . . 0.0 111.195 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -68.42 -47.68 66.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.374 0.67 . . . . 0.0 109.931 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -61.07 -35.46 77.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.25 1.02 . . . . 0.0 110.263 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.76 -44.85 96.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.013 0.925 . . . . 0.0 111.367 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -79.66 -43.84 22.03 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 123.641 0.588 . . . . 0.0 112.442 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.2 p -84.54 -59.96 2.21 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.016 0.526 . . . . 0.0 111.541 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -79.56 -42.08 25.84 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.36 0.664 . . . . 0.0 110.867 -172.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.07 -153.88 22.12 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.417 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -132.59 2.9 3.82 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.833 0.853 . . . . 0.0 111.96 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.16 -34.73 2.17 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.54 137.97 57.85 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.481 1.113 . . . . 0.0 112.293 -173.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.91 -74.85 0.05 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.762 1.225 . . . . 0.0 111.681 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.32 78.48 3.07 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.21 0.529 . . . . 0.0 110.001 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 12.3 t -82.12 127.31 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.201 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -92.55 56.33 2.68 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.744 0.818 . . . . 0.0 112.23 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -155.88 120.13 4.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.177 0.591 . . . . 0.0 109.794 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -38.45 78.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.02 0.928 . . . . 0.0 112.033 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -88.9 62.17 6.24 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.798 0.839 . . . . 0.0 110.225 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.1 t -165.6 132.37 2.78 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.677 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 159.45 34.57 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m 75.32 10.7 3.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.703 1.252 . . . . 0.0 110.88 -162.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.9 m -114.44 133.59 22.45 Favored Pre-proline 0 C--O 1.243 0.712 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 167.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.4 -20.33 61.36 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.72 2.28 . . . . 0.0 112.227 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -72.58 -24.24 61.07 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.323 1.049 . . . . 0.0 111.651 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -78.05 122.44 25.58 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.409 0.443 . . . . 0.0 110.494 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.27 127.28 32.54 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -62.13 106.72 0.76 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.649 0.593 . . . . 0.0 110.631 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptm -95.62 169.46 10.02 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.644 1.178 . . . . 0.0 109.767 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.29 162.95 28.76 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.404 0.682 . . . . 0.0 109.964 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -65.18 -37.82 88.57 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.117 0.967 . . . . 0.0 111.11 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -67.39 -42.92 82.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.203 0.601 . . . . 0.0 109.827 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.71 89.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.623 1.202 . . . . 0.0 111.081 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.34 -27.09 60.53 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.002 0.921 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.43 64.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.211 0.604 . . . . 0.0 110.639 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.4 mm -63.95 -50.36 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptm -70.48 -22.12 62.7 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.561 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.12 94.95 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.699 0.4 . . . . 0.0 110.06 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.84 -35.09 74.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.16 0.913 . . . . 0.0 111.867 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 18.9 mm-40 -66.01 -58.07 6.33 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -60.21 -26.23 66.22 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.286 0.991 . . . . 0.0 111.535 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.13 -57.03 9.63 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.38 0.672 . . . . 0.0 110.754 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -75.43 -33.37 60.92 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.469 0.481 . . . . 0.0 111.641 -172.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.434 HD11 HD23 ' A' ' 52' ' ' LEU . 10.6 pt -81.42 -7.39 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.516 0.326 . . . . 0.0 110.74 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 58.78 53.62 5.75 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 124.784 1.234 . . . . 0.0 110.88 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.7 -174.08 2.86 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.534 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -70.51 105.71 3.18 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.943 -172.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.37 136.28 37.64 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.443 0.697 . . . . 0.0 109.833 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 124.921 1.289 . . . . 0.0 109.226 178.143 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.43 0.157 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.41 80.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.057 0.543 . . . . 0.0 110.743 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.51 74.72 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.954 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.35 -39.53 78.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.345 1.058 . . . . 0.0 110.28 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.568 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.4 m80 -64.18 -40.8 96.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 173.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.03 98.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.447 0.699 . . . . 0.0 110.161 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.02 -36.41 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.626 0.771 . . . . 0.0 110.384 173.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -64.6 -32.21 73.76 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.912 0.885 . . . . 0.0 110.217 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 40.6 mtp85 -75.01 -38.2 61.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.33 0.652 . . . . 0.0 110.454 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.13 -41.35 94.91 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.455 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -66.76 -39.03 87.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.237 0.615 . . . . 0.0 109.776 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.16 -41.01 91.89 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 124.473 1.108 . . . . 0.0 109.153 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.11 -44.07 97.92 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.125 0.891 . . . . 0.0 111.632 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.64 -37.71 79.9 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.065 0.393 . . . . 0.0 111.885 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 p -89.83 -65.91 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.73 -46.49 12.2 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.546 0.738 . . . . 0.0 110.908 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.64 -109.26 3.78 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -173.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -153.36 2.37 0.28 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.644 0.778 . . . . 0.0 112.101 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -31.54 4.94 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.255 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -52.41 136.58 31.25 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.402 1.081 . . . . 0.0 112.765 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -73.47 -57.79 3.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.821 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.03 101.28 13.61 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.817 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.4 t -136.77 115.64 12.24 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.076 0.95 . . . . 0.0 109.043 173.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -91.12 59.02 3.88 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 122.746 1.26 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.23 120.23 21.91 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.545 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.78 -26.55 66.15 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.391 1.476 . . . . 0.0 113.139 -173.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.62 5.97 45.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.771 0.829 . . . . 0.0 112.022 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -104.57 134.54 47.56 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.92 0.488 . . . . 0.0 110.855 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.7 158.98 31.62 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.532 0.733 . . . . 0.0 109.735 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 m 65.31 17.08 10.86 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 124.186 0.929 . . . . 0.0 111.286 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 35.7 m -112.03 146.13 34.19 Favored Pre-proline 0 C--N 1.364 1.222 0 C-N-CA 123.356 0.662 . . . . 0.0 109.826 173.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -10.02 26.44 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.714 2.276 . . . . 0.0 112.986 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.2 p -95.68 4.84 52.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.245 1.018 . . . . 0.0 111.801 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -131.59 137.53 48.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.039 0.536 . . . . 0.0 109.831 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.61 160.63 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.829 0.852 . . . . 0.0 110.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -69.91 126.64 30.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.724 0.81 . . . . 0.0 110.225 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -168.9 1.5 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.424 1.089 . . . . 0.0 111.056 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.11 160.37 15.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 0.0 109.018 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.21 -40.48 81.71 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.114 0.966 . . . . 0.0 112.06 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -70.03 -38.77 75.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.539 0.736 . . . . 0.0 110.278 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.2 77.5 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.441 0.697 . . . . 0.0 111.147 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.64 77.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.726 0.81 . . . . 0.0 110.549 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -47.08 68.84 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.341 0.657 . . . . 0.0 111.727 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.89 -49.8 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.213 0.605 . . . . 0.0 109.771 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.7 tptm -67.44 -28.77 68.16 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.672 0.607 . . . . 0.0 110.715 -175.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.3 89.83 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.957 0.503 . . . . 0.0 110.561 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.37 -38.0 80.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -60.13 -55.14 37.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.061 0.544 . . . . 0.0 109.92 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 76.6 mt -61.7 -32.22 72.41 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.084 0.954 . . . . 0.0 111.727 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -64.25 -56.44 14.61 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 123.742 0.651 . . . . 0.0 110.528 175.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.56 -16.46 57.41 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 pt -93.74 -15.06 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.233 0.47 . . . . 0.0 110.43 174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 62.75 68.19 0.66 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.299 1.04 . . . . 0.0 110.061 -175.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.14 176.58 7.52 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.434 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -69.61 100.41 1.45 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.182 0.993 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -84.16 130.58 34.83 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.521 0.728 . . . . 0.0 109.617 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 123.76 0.824 . . . . 0.0 111.167 -175.417 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.732 0.301 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.0 89.48 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.804 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.4 84.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.415 1.086 . . . . 0.0 111.424 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.67 -50.33 73.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.364 1.066 . . . . 0.0 110.831 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 5.7 m-70 -67.23 -31.46 71.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.483 -177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -46.17 80.69 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.336 0.654 . . . . 0.0 110.427 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.68 -38.95 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 O-C-N 123.788 0.68 . . . . 0.0 110.084 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.7 -28.81 65.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.594 0.757 . . . . 0.0 112.379 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 3.7 mmp_? -69.55 -45.49 68.64 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.896 0.479 . . . . 0.0 110.163 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -65.86 -40.88 92.11 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.582 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -61.27 -45.04 96.15 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.655 0.782 . . . . 0.0 110.61 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -58.95 -36.49 74.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.496 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.39 -30.12 68.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.346 0.658 . . . . 0.0 112.065 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.59 -38.16 17.4 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 118.567 0.621 . . . . 0.0 112.035 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -76.46 -41.29 47.8 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 120.928 0.394 . . . . 0.0 111.773 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.96 -57.05 2.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.586 0.754 . . . . 0.0 109.969 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.54 -120.76 4.62 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.85 2.9 0.53 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.169 0.588 . . . . 0.0 111.852 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.79 3.11 Favored Glycine 0 N--CA 1.475 1.235 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 105.21 0.36 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.29 1.036 . . . . 0.0 110.168 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.99 -34.47 64.21 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 61.9 7.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.898 0.879 . . . . 0.0 109.289 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 36.1 t -113.86 119.01 35.82 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.993 0.917 . . . . 0.0 109.968 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -87.27 58.75 5.17 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.708 0.803 . . . . 0.0 111.603 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -142.71 113.1 7.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.171 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.91 -27.02 68.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.333 1.053 . . . . 0.0 111.563 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.3 37.48 0.82 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.669 1.187 . . . . 0.0 110.575 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -153.48 139.84 18.61 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.828 0.451 . . . . 0.0 110.48 -172.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.04 163.63 19.77 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.17 0.988 . . . . 0.0 109.923 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.9 m 70.87 1.51 3.79 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.342 1.457 . . . . 0.0 111.198 -172.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 56.2 m -93.13 146.75 32.53 Favored Pre-proline 0 C--N 1.358 0.952 0 C-N-CA 123.704 0.802 . . . . 0.0 109.947 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.07 -31.14 92.39 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.34 2.693 . . . . 0.0 112.18 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -87.26 14.17 8.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.88 1.272 . . . . 0.0 112.549 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.66 135.53 46.92 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.849 0.459 . . . . 0.0 110.333 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.42 145.69 34.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -65.17 115.84 5.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.982 0.513 . . . . 0.0 110.761 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 ptm -111.72 161.45 16.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.652 1.181 . . . . 0.0 108.612 173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.37 167.51 20.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.238 0.615 . . . . 0.0 110.92 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.31 -32.21 66.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.41 -34.92 68.21 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.134 0.573 . . . . 0.0 110.139 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.53 75.05 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.238 0.615 . . . . 0.0 110.608 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.94 60.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.382 1.073 . . . . 0.0 110.585 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.84 69.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.555 0.742 . . . . 0.0 110.586 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.54 -46.72 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.656 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.6 tptt -66.88 -31.26 71.75 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 124.019 0.824 . . . . 0.0 110.97 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.17 92.81 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.624 0.77 . . . . 0.0 110.65 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.05 -34.14 72.86 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.99 0.806 . . . . 0.0 111.715 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 19.8 mm-40 -58.98 -53.6 56.53 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.346 0.658 . . . . 0.0 110.089 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 28.1 mt -73.29 -25.07 60.51 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.211 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -64.93 -51.46 61.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.678 0.611 . . . . 0.0 110.875 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 22.6 pttp -75.89 -35.71 59.74 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.718 -173.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.7 pt -85.03 -12.85 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.316 0.247 . . . . 0.0 110.864 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 57.55 57.93 4.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.638 1.175 . . . . 0.0 110.252 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.48 178.74 4.43 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.947 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -62.08 99.09 0.12 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.408 1.083 . . . . 0.0 111.382 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 12' ' ' ARG . 30.8 tp -91.58 125.31 36.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.75 75.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.415 0.686 . . . . 0.0 110.511 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.73 75.54 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.634 0.773 . . . . 0.0 110.466 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.26 -41.58 96.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.603 0.761 . . . . 0.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.1 m80 -68.18 -33.32 74.23 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.994 0.808 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.39 72.96 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.26 -34.59 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.97 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -62.65 -42.56 99.67 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.151 0.98 . . . . 0.0 109.294 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 97.4 mtt180 -68.62 -33.69 74.46 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.793 0.683 . . . . 0.0 111.489 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -71.39 -42.53 68.27 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.609 0.364 . . . . 0.0 111.067 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.54 -39.68 81.02 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.405 0.682 . . . . 0.0 110.331 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.91 -41.42 97.68 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.581 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 8.1 tt0 -60.48 -36.5 78.43 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 124.271 0.982 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.48 -43.75 47.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.961 0.504 . . . . 0.0 111.956 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -80.02 -58.58 3.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.204 0.602 . . . . 0.0 111.696 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.48 -44.94 6.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.361 1.064 . . . . 0.0 110.805 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.74 -111.29 4.21 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.031 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -158.49 8.42 0.14 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.541 0.736 . . . . 0.0 111.824 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.51 -32.6 3.6 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.756 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 2.4 m-20 -55.36 111.1 0.8 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.387 1.075 . . . . 0.0 112.674 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.42 -54.71 19.89 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.141 1.376 . . . . 0.0 112.145 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.27 48.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.532 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.6 t -69.18 140.28 54.63 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -114.95 78.47 1.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 122.194 0.997 . . . . 0.0 110.321 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -162.77 121.07 2.08 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.289 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.02 -15.49 63.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.318 1.047 . . . . 0.0 112.378 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.37 14.63 29.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.936 0.894 . . . . 0.0 111.511 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 41.8 t -128.79 136.27 50.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.251 0.62 . . . . 0.0 110.235 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.04 160.59 31.07 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 123.604 0.761 . . . . 0.0 109.259 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t 67.88 12.54 8.87 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 124.392 1.058 . . . . 0.0 110.857 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 60.4 m -101.35 140.32 21.16 Favored Pre-proline 0 C--N 1.357 0.906 0 C-N-CA 123.594 0.757 . . . . 0.0 109.114 168.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -64.44 -28.99 62.42 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.944 2.43 . . . . 0.0 112.254 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -85.24 -2.42 58.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.076 0.95 . . . . 0.0 112.964 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -78.82 125.63 29.63 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.545 0.338 . . . . 0.0 110.896 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.48 118.76 26.11 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.89 155.93 37.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.281 0.562 . . . . 0.0 110.746 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.04 169.41 17.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.406 -165.207 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -87.14 166.95 14.59 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.119 168.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -64.38 -35.55 81.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.229 0.612 . . . . 0.0 111.519 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -70.91 -41.51 71.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.996 0.518 . . . . 0.0 109.923 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.97 85.04 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.068 0.855 . . . . 0.0 111.006 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -72.63 -35.45 67.8 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.084 0.954 . . . . 0.0 110.873 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.35 69.33 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.164 0.586 . . . . 0.0 110.691 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.38 -51.18 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.824 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptp -60.32 -41.07 92.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.272 0.983 . . . . 0.0 110.531 -173.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.23 99.2 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.449 0.7 . . . . 0.0 111.129 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.9 -36.1 81.5 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.887 0.742 . . . . 0.0 111.466 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 38.9 mm-40 -68.22 -45.06 74.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.71 0.404 . . . . 0.0 110.43 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 86.9 mt -66.42 -28.44 68.62 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.634 0.774 . . . . 0.0 110.887 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -71.87 -49.52 37.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.431 0.693 . . . . 0.0 111.354 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -71.88 -34.05 68.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.036 0.535 . . . . 0.0 111.712 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 51' ' ' GLU . 18.6 pt -84.39 -18.73 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.571 0.349 . . . . 0.0 110.78 176.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 59.97 69.78 0.68 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.538 1.135 . . . . 0.0 109.561 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.95 -170.34 2.97 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.471 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -66.53 96.52 0.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 110.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.2 tp -86.87 105.52 17.11 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 123.881 0.872 . . . . 0.0 109.298 -178.301 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.09 71.82 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.903 0.881 . . . . 0.0 112.215 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.84 73.07 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.544 0.528 . . . . 0.0 110.483 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HD3' HD12 ' A' ' 10' ' ' ILE . 72.2 mmtt -71.65 -26.88 62.73 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.326 1.05 . . . . 0.0 111.31 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.8 m170 -70.66 -37.7 73.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.992 0.517 . . . . 0.0 110.279 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -35.34 69.43 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.076 0.86 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' HD3' ' A' ' 7' ' ' LYS . 96.6 mt -64.38 -40.58 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.865 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -66.39 -30.49 70.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.908 0.883 . . . . 0.0 110.367 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.625 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.6 mmp_? -63.4 -48.89 75.96 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -74.6 -32.57 62.4 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.796 0.685 . . . . 0.0 112.46 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -73.65 -48.79 29.72 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.674 0.39 . . . . 0.0 110.136 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -68.25 -23.9 64.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.201 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.08 -36.31 82.85 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.534 0.734 . . . . 0.0 110.57 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.82 -25.31 32.8 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -85.92 -54.65 4.37 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -120.66 -26.9 5.2 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.177 0.591 . . . . 0.0 111.855 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.97 -110.98 3.95 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 173.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -137.62 12.13 2.95 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.498 1.119 . . . . 0.0 109.092 170.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.38 -56.67 5.03 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 122.829 0.252 . . . . 0.0 113.265 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.35 128.44 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.964 0.906 . . . . 0.0 111.726 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' SER . 14.0 pt-20 -78.89 -20.13 50.22 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.62 72.25 7.54 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 170.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 38.6 t -144.95 116.13 7.93 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.663 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -75.44 -19.88 59.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.122 0.969 . . . . 0.0 112.592 -176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -67.38 110.23 3.49 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.264 0.626 . . . . 0.0 110.316 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -13.4 60.08 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.344 1.058 . . . . 0.0 112.536 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -91.35 19.67 5.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.924 0.89 . . . . 0.0 110.48 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.9 122.42 28.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.257 1.023 . . . . 0.0 108.432 -174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 158.98 26.44 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.006 0.922 . . . . 0.0 111.064 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 43.8 m 70.58 2.74 4.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.033 1.333 . . . . 0.0 111.971 -170.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 66.5 m -88.23 141.79 31.19 Favored Pre-proline 0 C--N 1.356 0.883 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 169.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.81 -5.64 17.56 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.049 2.499 . . . . 0.0 113.355 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -99.34 -15.95 18.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.071 0.948 . . . . 0.0 112.227 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -75.37 140.15 42.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.393 0.677 . . . . 0.0 110.835 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt -111.87 142.9 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.42 0.688 . . . . 0.0 109.67 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -63.64 151.29 42.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.924 0.889 . . . . 0.0 111.989 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.7 ptp -141.28 156.37 45.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.299 0.64 . . . . 0.0 109.778 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.5 162.66 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.229 1.012 . . . . 0.0 110.03 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -51.26 -49.77 60.51 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.633 1.173 . . . . 0.0 111.566 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -72.28 -37.91 68.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.179 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.18 75.2 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.037 0.535 . . . . 0.0 111.14 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.25 63.11 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.994 0.918 . . . . 0.0 110.493 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.42 92.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.231 0.612 . . . . 0.0 110.854 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -64.61 -54.34 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.023 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 55.9 tptt -63.68 -29.26 70.51 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.916 0.76 . . . . 0.0 111.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.54 77.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.513 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.69 -28.76 67.14 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.542 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.92 -49.88 64.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.901 0.481 . . . . 0.0 110.259 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 93.9 mt -66.54 -26.42 67.14 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.617 0.767 . . . . 0.0 111.032 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.85 -49.88 27.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 0.0 111.231 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.76 -37.7 76.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.92 0.488 . . . . 0.0 111.399 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.47 -18.29 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 122.943 0.497 . . . . 0.0 110.948 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 58.65 69.73 0.71 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 124.553 1.141 . . . . 0.0 109.661 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.43 -175.23 3.67 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.258 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -64.67 95.77 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.128 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 12' ' ' ARG . 34.7 tp -83.62 121.0 26.66 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.813 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.24 0.599 0 C-N-CA 123.415 0.686 . . . . 0.0 110.967 -173.188 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.563 0.221 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.99 70.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.378 0.671 . . . . 0.0 111.534 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.21 67.28 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.635 0.774 . . . . 0.0 109.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -56.73 -52.36 65.28 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.54 1.15 . . . . 0.0 110.74 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 m-70 -57.83 -46.15 85.14 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.207 0.942 . . . . 0.0 111.323 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.54 -38.96 81.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.787 0.68 . . . . 0.0 112.096 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.12 -39.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -65.36 -35.49 81.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.932 0.893 . . . . 0.0 111.692 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.6 mmp_? -66.55 -47.32 73.22 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.726 0.81 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -74.02 -33.55 63.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 0.0 111.677 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.72 -47.29 66.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.012 0.525 . . . . 0.0 110.012 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.48 -33.59 76.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.836 0.854 . . . . 0.0 110.192 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -57.77 -46.63 84.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.347 1.029 . . . . 0.0 110.491 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.1 mt -74.05 -51.19 16.57 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.155 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.0 p -73.19 -66.69 0.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.486 0.715 . . . . 0.0 111.556 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -83.1 -38.09 22.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.36 0.664 . . . . 0.0 110.687 -171.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.6 -135.69 12.59 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.074 0.859 . . . . 0.0 111.933 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -149.15 -2.38 0.45 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.54 -35.28 3.04 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.806 -0.441 . . . . 0.0 113.702 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.76 122.61 12.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.946 1.298 . . . . 0.0 111.949 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.58 -45.24 65.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.359 1.064 . . . . 0.0 111.783 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.71 1.23 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.757 0.789 . . . . 0.0 109.986 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.3 t -75.75 113.45 13.22 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.957 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.1 p -86.17 42.19 0.97 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.118 0.967 . . . . 0.0 111.922 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -141.31 106.66 5.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -23.39 64.32 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.999 0.92 . . . . 0.0 112.548 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -88.23 39.14 0.89 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.803 0.841 . . . . 0.0 110.623 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -147.26 133.44 19.4 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.249 0.62 . . . . 0.0 109.438 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.12 156.11 38.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.27 0.628 . . . . 0.0 110.712 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 m 73.44 4.13 4.74 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.281 1.432 . . . . 0.0 112.222 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 75.5 m -92.91 134.35 27.56 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 166.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.77 -14.62 42.23 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.955 2.437 . . . . 0.0 112.508 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -80.05 -23.34 41.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.629 1.172 . . . . 0.0 111.495 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -89.36 118.77 29.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.345 0.658 . . . . 0.0 110.072 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -89.35 138.04 31.79 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -71.13 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.171 0.51 . . . . 0.0 111.561 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -173.32 4.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.0 -168.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.11 164.3 13.12 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.718 0.807 . . . . 0.0 110.665 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.44 -33.72 71.63 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.175 0.99 . . . . 0.0 112.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 47' ' ' ILE . 90.4 m-20 -69.98 -47.21 63.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.289 0.635 . . . . 0.0 110.299 177.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.93 73.29 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.79 0.836 . . . . 0.0 111.403 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.27 87.02 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.878 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.09 87.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.428 0.691 . . . . 0.0 111.572 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' ASN . 50.9 mm -63.79 -55.96 19.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.219 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.72 -24.78 65.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.919 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.46 79.27 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.955 0.502 . . . . 0.0 110.104 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.92 -33.54 73.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.315 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 28.4 mm-40 -64.07 -48.81 74.75 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.424 0.452 . . . . 0.0 110.893 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.83 -29.55 69.5 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.553 0.741 . . . . 0.0 111.287 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -68.91 -51.94 34.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.162 0.585 . . . . 0.0 110.869 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.85 -29.92 66.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.361 0.664 . . . . 0.0 111.953 -171.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.9 pt -88.98 -9.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.989 0.516 . . . . 0.0 111.227 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 63.06 47.6 4.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.568 1.147 . . . . 0.0 109.979 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.63 168.84 10.42 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.345 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -58.44 105.43 0.29 Allowed 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.563 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.9 tp -83.93 140.44 31.94 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.834 175.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.239 0.501 0 C-N-CA 123.239 0.615 . . . . 0.0 109.84 -178.69 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.923 0.392 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.29 83.91 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.989 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.95 79.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.438 0.695 . . . . 0.0 111.155 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.89 -46.34 85.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.629 0.772 . . . . 0.0 110.775 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.586 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.4 m-70 -68.4 -34.1 75.43 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.536 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -45.41 73.58 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.496 0.718 . . . . 0.0 110.293 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.08 -34.54 57.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.103 0.961 . . . . 0.0 110.095 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.42 -38.73 81.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.077 0.951 . . . . 0.0 111.218 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 94.9 mtt180 -69.79 -45.18 68.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.242 0.617 . . . . 0.0 110.125 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -61.27 -39.73 91.49 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.536 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.89 -48.96 78.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.273 0.629 . . . . 0.0 110.314 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -65.1 -22.62 66.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.216 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -73.3 -42.66 62.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.902 0.481 . . . . 0.0 111.602 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD21 HD12 ' A' ' 52' ' ' LEU . 3.4 mm? -78.86 -29.79 44.76 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.263 0.483 . . . . 0.0 112.094 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -84.19 -60.94 1.94 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.49 -40.38 9.91 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.637 0.775 . . . . 0.0 111.209 -172.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -120.75 6.89 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.029 -174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -158.43 14.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.242 0.617 . . . . 0.0 110.865 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.11 -57.84 4.97 Favored Glycine 0 C--N 1.346 1.112 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -174.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.33 108.69 0.4 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.672 1.189 . . . . 0.0 111.569 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -35.92 46.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.565 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.97 56.03 2.98 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.134 0.968 . . . . 0.0 109.365 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.537 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.2 t -100.64 137.37 39.14 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.619 -173.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -84.4 52.31 2.32 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.658 0.742 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -159.89 113.76 2.23 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.295 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.63 -24.84 61.11 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.545 0.738 . . . . 0.0 110.945 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 52' ' ' LEU . 64.5 m-85 -88.49 49.9 1.87 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 0.0 109.247 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.84 129.74 15.28 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.221 1.009 . . . . 0.0 108.754 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.54 160.78 31.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.863 0.465 . . . . 0.0 110.888 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 t 69.45 2.62 3.81 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.668 1.187 . . . . 0.0 111.594 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 45.9 m -95.46 144.24 27.48 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.12 0.568 . . . . 0.0 109.553 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.95 -22.76 35.4 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.879 2.386 . . . . 0.0 112.354 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -84.07 -6.84 59.48 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.339 1.056 . . . . 0.0 112.091 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -86.34 156.74 20.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.211 1.004 . . . . 0.0 110.434 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.24 123.34 40.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 169.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -59.36 154.51 16.63 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.036 0.934 . . . . 0.0 112.215 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.2 ptp -155.29 172.41 18.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.88 0.872 . . . . 0.0 109.602 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.18 159.32 33.21 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.071 0.549 . . . . 0.0 109.767 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -68.77 -24.56 64.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.74 0.416 . . . . 0.0 110.489 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -73.9 -40.09 63.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.521 0.728 . . . . 0.0 110.373 175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.29 69.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.274 0.63 . . . . 0.0 110.593 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.52 -28.79 63.08 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.28 1.032 . . . . 0.0 110.647 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.31 -43.77 66.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.328 0.651 . . . . 0.0 110.85 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.41 -45.69 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.224 0.61 . . . . 0.0 110.169 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB3' ' HG ' ' A' ' 17' ' ' LEU . 18.8 tptm -70.86 -27.92 64.19 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.676 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.39 94.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.462 0.705 . . . . 0.0 110.575 171.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.79 -30.71 69.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.822 0.701 . . . . 0.0 111.904 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.56 -48.79 71.2 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.936 0.398 . . . . 0.0 110.347 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 30' ' ' PHE . 63.1 mt -69.22 -27.78 65.77 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.92 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.26 -48.23 62.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.184 0.594 . . . . 0.0 110.942 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -35.23 75.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.802 0.441 . . . . 0.0 111.502 -174.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -84.24 -16.37 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 122.823 0.449 . . . . 0.0 111.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.77 68.25 0.87 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.723 1.209 . . . . 0.0 109.732 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.98 -170.78 3.26 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.874 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -59.8 102.35 0.15 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.17 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.57 127.85 45.66 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 170.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 121.988 0.899 . . . . 0.0 109.427 177.695 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 119.861 -0.114 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.79 71.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.019 0.928 . . . . 0.0 112.179 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.68 92.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.28 0.632 . . . . 0.0 110.395 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 10' ' ' ILE . 37.1 ttpt -75.87 -27.51 57.79 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.909 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.3 m170 -66.0 -35.37 80.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.961 0.504 . . . . 0.0 110.339 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -38.95 64.41 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.967 0.907 . . . . 0.0 110.358 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 7' ' ' LYS . 98.0 mt -57.34 -43.01 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.875 0.734 . . . . 0.0 109.507 168.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.77 -29.03 65.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.155 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 11.2 mmt180 -66.47 -43.57 85.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.356 0.662 . . . . 0.0 110.165 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -70.13 -41.72 73.53 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.871 0.732 . . . . 0.0 111.135 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -59.44 -45.26 92.07 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.315 0.646 . . . . 0.0 110.422 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -67.88 -27.04 66.32 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.282 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 29.0 tt0 -75.01 -38.4 61.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.932 0.493 . . . . 0.0 110.918 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 52' ' ' LEU . 2.3 mm? -75.15 -24.97 58.02 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 118.258 0.481 . . . . 0.0 111.749 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.6 p -93.28 -57.43 2.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.516 0.327 . . . . 0.0 111.116 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -91.05 -62.17 1.51 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.598 0.759 . . . . 0.0 110.205 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.25 -115.44 2.76 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.594 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -156.81 -0.93 0.12 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.83 -34.13 3.0 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.693 -0.504 . . . . 0.0 114.148 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.71 128.56 37.79 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.801 0.84 . . . . 0.0 110.743 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.54 -71.68 0.13 Allowed 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.345 1.028 . . . . 0.0 111.166 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.92 82.96 7.37 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.381 0.61 . . . . 0.0 109.667 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.5 t -110.16 108.16 18.22 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.382 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -90.1 61.67 5.26 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.218 1.008 . . . . 0.0 110.343 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -139.03 108.47 6.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.648 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -21.2 65.64 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.841 1.256 . . . . 0.0 112.153 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -88.0 24.89 1.69 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.117 0.967 . . . . 0.0 111.303 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -147.92 138.48 23.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.229 0.611 . . . . 0.0 110.05 -171.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.09 156.94 24.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.463 0.705 . . . . 0.0 110.644 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 t 69.31 4.75 4.76 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.887 1.275 . . . . 0.0 111.629 -174.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.0 m -88.59 150.26 45.9 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 123.6 0.76 . . . . 0.0 110.125 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.77 -32.69 56.01 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.845 2.364 . . . . 0.0 112.541 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -88.57 4.42 46.95 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.281 1.032 . . . . 0.0 112.607 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -95.01 126.88 40.66 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 110.98 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.47 140.12 31.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 165.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.02 152.89 43.09 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.764 0.792 . . . . 0.0 111.407 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 ptm -154.71 147.3 24.18 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.647 -169.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.75 178.2 7.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.038 0.535 . . . . 0.0 111.229 -174.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -65.82 -32.94 74.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.571 0.749 . . . . 0.0 112.765 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.69 -45.69 61.08 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.837 0.455 . . . . 0.0 110.265 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.92 89.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.468 0.48 . . . . 0.0 110.71 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.64 73.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.977 0.911 . . . . 0.0 111.146 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.05 42.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.524 0.73 . . . . 0.0 111.195 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.2 mm -61.27 -46.24 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.711 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HE2' HD21 ' A' ' 52' ' ' LEU . 20.3 tptm -65.18 -31.86 73.26 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.84 0.712 . . . . 0.0 110.748 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.238 0.615 . . . . 0.0 111.008 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.89 -42.07 81.78 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 124.115 0.884 . . . . 0.0 111.488 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 30.2 mm-40 -62.61 -48.17 80.58 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.046 0.538 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 17' ' ' LEU . 86.2 mt -71.74 -26.63 62.54 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.431 -177.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -67.96 -51.45 47.29 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 123.436 0.46 . . . . 0.0 110.045 175.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -72.25 -30.3 64.74 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 122.671 0.388 . . . . 0.0 111.631 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.5 pt -87.45 -13.77 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 122.676 0.39 . . . . 0.0 110.847 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.81 64.52 1.28 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.592 1.157 . . . . 0.0 110.439 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -174.89 4.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.188 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -65.74 106.48 1.51 Allowed 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.709 0.804 . . . . 0.0 110.6 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.7 133.07 53.54 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.854 0.862 . . . . 0.0 108.847 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.471 0.598 0 C-N-CA 123.529 0.731 . . . . 0.0 110.363 179.427 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 119.644 -0.217 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.58 90.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.502 0.721 . . . . 0.0 111.696 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.5 64.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.904 0.882 . . . . 0.0 111.707 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -73.69 -29.95 62.59 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.478 0.711 . . . . 0.0 110.264 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.552 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 22.1 m170 -72.37 -32.62 66.6 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.389 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -46.32 86.87 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.01 -38.93 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.157 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.17 -32.08 73.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.243 1.017 . . . . 0.0 111.105 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 9.1 mmm180 -68.87 -46.25 68.93 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -64.35 -37.73 88.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.812 0.695 . . . . 0.0 111.308 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -66.73 -49.13 67.02 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.587 0.755 . . . . 0.0 109.795 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -59.44 -37.55 78.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.288 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.44 -41.99 92.89 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.659 0.784 . . . . 0.0 110.221 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.67 -50.24 16.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.506 0.722 . . . . 0.0 111.501 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.0 p -74.71 -60.81 2.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.732 0.413 . . . . 0.0 111.266 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -83.72 -49.32 9.24 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.514 0.725 . . . . 0.0 110.927 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 -121.75 7.18 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.589 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 12.0 p -156.45 0.12 0.13 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.46 -34.49 3.29 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.435 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.3 t-20 -56.02 115.28 2.33 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.266 1.026 . . . . 0.0 111.918 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.66 -45.15 79.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.441 1.096 . . . . 0.0 111.495 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.09 45.17 1.07 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.77 0.828 . . . . 0.0 109.83 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 54.0 t -77.36 131.33 38.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.127 -175.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.9 p -87.51 -35.62 18.08 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.257 1.023 . . . . 0.0 112.691 -173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -65.32 114.78 5.0 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.327 1.051 . . . . 0.0 111.526 -170.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -22.15 66.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.51 0.724 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.8 26.9 1.42 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.859 0.863 . . . . 0.0 111.251 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 t -142.07 139.77 32.37 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.784 0.434 . . . . 0.0 109.996 -172.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.88 159.44 32.83 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.314 0.645 . . . . 0.0 110.064 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 t 71.18 11.1 6.85 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.076 1.351 . . . . 0.0 111.043 -170.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 50.0 m -101.98 137.44 19.5 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 123.723 0.809 . . . . 0.0 108.865 167.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 -26.62 27.78 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.825 2.35 . . . . 0.0 112.229 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 p -83.89 -13.2 54.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.125 0.97 . . . . 0.0 111.924 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.51 136.16 44.08 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.823 0.344 . . . . 0.0 110.289 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -101.01 124.13 46.26 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.4 0.68 . . . . 0.0 109.187 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -70.16 90.53 0.67 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.074 0.95 . . . . 0.0 111.709 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptp -78.82 158.71 28.11 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.089 170.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.56 171.26 14.94 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.774 0.43 . . . . 0.0 110.304 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -61.6 -35.43 77.84 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.311 0.644 . . . . 0.0 112.162 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -73.57 -38.43 65.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.767 0.427 . . . . 0.0 110.248 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.33 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.202 0.601 . . . . 0.0 110.393 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.59 -26.27 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.84 0.856 . . . . 0.0 111.146 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.58 61.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.26 0.624 . . . . 0.0 110.64 174.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.26 -44.58 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.916 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -73.46 -23.85 60.14 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.847 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.27 92.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.0 110.509 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.53 -40.06 85.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.351 0.661 . . . . 0.0 111.243 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.69 -46.19 83.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.189 0.596 . . . . 0.0 111.299 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.38 -30.61 69.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.645 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.05 -53.83 43.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.148 0.579 . . . . 0.0 110.629 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -68.56 -29.33 67.86 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 pt -87.54 -6.4 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 55.59 60.46 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.237 1.015 . . . . 0.0 110.235 -173.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.3 165.3 24.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.153 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.77 112.52 2.57 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.598 174.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 59' ' ' LEU . 14.0 mt -84.1 150.92 25.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.651 168.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 CA--C 1.539 0.543 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.269 -177.321 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.1 84.64 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.496 0.718 . . . . 0.0 111.279 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.97 86.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.245 1.018 . . . . 0.0 111.74 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.61 -50.62 71.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.124 0.89 . . . . 0.0 110.182 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 13.7 m80 -57.21 -39.21 74.97 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.201 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.32 -33.62 76.26 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.403 1.065 . . . . 0.0 111.785 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.79 -45.4 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.47 -27.52 68.56 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 123.67 0.606 . . . . 0.0 111.75 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.9 mmp_? -67.9 -55.34 13.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.989 0.515 . . . . 0.0 110.616 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -66.76 -34.64 78.29 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.8 0.688 . . . . 0.0 111.514 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.21 -52.73 62.62 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.343 0.657 . . . . 0.0 110.657 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -66.62 -24.34 66.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.71 0.804 . . . . 0.0 110.324 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -70.15 -40.58 74.66 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.075 0.95 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.82 -39.0 31.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -81.8 -59.44 2.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.093 0.557 . . . . 0.0 110.996 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -92.32 -42.63 9.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.333 0.653 . . . . 0.0 110.273 -171.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.81 -154.11 21.13 Favored Glycine 0 C--N 1.341 0.827 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.142 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -123.75 3.45 8.85 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.303 0.641 . . . . 0.0 111.76 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -50.0 4.33 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 122.913 0.292 . . . . 0.0 113.086 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -52.54 111.58 0.67 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.401 1.481 . . . . 0.0 111.843 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.6 -30.64 63.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.557 0.743 . . . . 0.0 111.401 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.73 1.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.9 0.88 . . . . 0.0 110.47 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 30.4 t -85.47 128.68 34.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.475 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -88.22 24.52 1.85 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.213 0.605 . . . . 0.0 112.079 -174.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.03 112.34 15.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.582 0.753 . . . . 0.0 109.395 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.14 -25.26 63.38 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.432 0.693 . . . . 0.0 112.103 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -89.63 45.93 1.32 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.447 1.099 . . . . 0.0 110.072 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.31 131.6 10.29 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.005 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 163.47 20.88 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 166.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m 75.86 2.81 3.74 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.092 1.357 . . . . 0.0 110.901 -165.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 61.9 m -107.48 130.42 22.85 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 123.364 0.666 . . . . 0.0 109.362 174.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.55 -30.84 93.43 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.196 2.597 . . . . 0.0 112.386 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -78.28 -3.36 42.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.464 0.706 . . . . 0.0 112.786 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -88.11 123.54 32.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.812 0.445 . . . . 0.0 110.638 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -84.15 121.11 27.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.82 122.63 16.92 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.743 0.417 . . . . 0.0 110.894 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 ptp -110.4 161.64 15.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.336 1.054 . . . . 0.0 109.869 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.96 165.64 19.62 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.424 0.69 . . . . 0.0 110.231 172.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.66 -31.97 72.33 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.158 0.583 . . . . 0.0 110.538 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.88 -48.03 82.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.303 0.641 . . . . 0.0 110.457 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.8 71.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.632 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -23.96 47.19 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.068 0.947 . . . . 0.0 111.118 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.61 52.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.21 0.604 . . . . 0.0 109.927 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.84 -50.04 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -67.93 -24.21 65.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.948 0.499 . . . . 0.0 110.235 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.34 -32.42 71.5 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.106 0.879 . . . . 0.0 111.597 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.98 -49.94 66.06 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.832 0.453 . . . . 0.0 110.361 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.52 -30.08 69.65 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.549 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.2 -50.6 45.97 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.006 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.07 -30.82 69.22 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.904 0.482 . . . . 0.0 111.309 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -85.41 -15.84 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.757 0.423 . . . . 0.0 111.115 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 59.55 66.06 1.06 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.646 1.179 . . . . 0.0 110.024 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.35 -175.58 4.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 114.908 -1.042 . . . . 0.0 112.055 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.01 129.14 38.92 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.525 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 12' ' ' ARG . 52.2 tp -121.04 145.31 47.91 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.222 0.609 . . . . 0.0 109.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.243 0.756 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.712 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.88 82.56 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.695 0.798 . . . . 0.0 111.807 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.41 70.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.078 0.951 . . . . 0.0 109.746 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.52 -37.38 80.97 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.575 1.172 . . . . 0.0 110.831 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 26.8 m170 -70.19 -39.16 75.37 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.904 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.4 -40.81 77.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.351 0.66 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.87 -40.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.626 0.77 . . . . 0.0 109.339 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.46 -40.56 95.93 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.055 0.942 . . . . 0.0 109.879 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.2 mmp_? -64.88 -46.19 82.84 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.393 0.677 . . . . 0.0 111.543 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -71.6 -37.37 70.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.681 0.613 . . . . 0.0 110.887 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -66.54 -39.95 88.83 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.611 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.78 -36.39 84.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.906 1.283 . . . . 0.0 109.188 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.19 -44.33 84.24 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.745 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.3 mm? -68.7 -39.09 80.67 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.997 0.519 . . . . 0.0 112.014 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -85.26 -58.06 2.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.143 0.497 . . . . 0.0 111.652 -172.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.53 -61.64 1.6 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.632 0.773 . . . . 0.0 110.522 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.34 -114.92 4.11 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -158.92 1.06 0.09 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.32 -52.08 4.28 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 122.816 0.246 . . . . 0.0 113.601 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -60.18 110.15 1.15 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.172 0.989 . . . . 0.0 111.856 -173.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -38.99 59.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.018 1.327 . . . . 0.0 112.795 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.01 68.66 9.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.785 0.803 . . . . 0.0 109.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.6 t -133.38 107.44 8.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.7 p -92.87 70.46 4.69 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.258 1.027 . . . . 0.0 109.372 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -141.03 106.7 5.1 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.255 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.572 1.149 . . . . 0.0 112.48 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -86.35 -2.97 58.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.81 0.844 . . . . 0.0 111.862 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 16.6 t -110.86 130.51 55.56 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.382 1.073 . . . . 0.0 109.262 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -74.03 153.33 39.72 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.394 0.678 . . . . 0.0 111.398 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m 71.74 3.44 4.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.349 1.459 . . . . 0.0 112.353 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 64.0 m -85.08 148.17 49.77 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -60.92 -35.77 86.51 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.755 2.303 . . . . 0.0 111.961 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -75.96 -11.36 59.95 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.067 0.947 . . . . 0.0 112.72 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -85.69 137.48 32.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.403 0.681 . . . . 0.0 110.24 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -114.88 148.89 38.0 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.59 126.45 29.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.914 0.886 . . . . 0.0 110.88 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.504 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -106.53 172.18 6.95 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.784 1.233 . . . . 0.0 110.854 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -89.54 165.74 14.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 168.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -64.46 -37.28 86.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.147 0.579 . . . . 0.0 111.346 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.71 -48.86 78.83 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.83 71.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.643 0.777 . . . . 0.0 111.865 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -69.45 -42.16 75.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 0.0 110.895 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 -46.2 70.42 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.85 0.719 . . . . 0.0 111.462 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.9 mm -60.77 -49.24 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.705 0.628 . . . . 0.0 109.559 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 tptm -62.53 -38.02 88.36 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.807 0.692 . . . . 0.0 110.947 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.31 86.87 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.542 0.737 . . . . 0.0 111.057 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.34 -30.51 60.28 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 35.9 mm-40 -61.86 -48.47 80.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.18 0.592 . . . . 0.0 109.803 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 61.5 mt -73.63 -31.3 63.46 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.235 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.28 -47.51 82.06 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.931 0.769 . . . . 0.0 111.038 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 51' ' ' GLU . 64.5 pttt -75.02 -33.73 61.83 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.144 0.278 . . . . 0.0 111.349 -173.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 pt -87.84 -14.58 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 122.709 0.404 . . . . 0.0 111.513 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 58.79 64.5 1.42 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.54 1.136 . . . . 0.0 110.187 -175.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.69 178.07 7.62 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.38 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -57.83 95.66 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.201 1.001 . . . . 0.0 110.413 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 12' ' ' ARG . 55.9 tp -87.45 124.85 33.87 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.496 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.241 0.618 0 O-C-N 123.955 0.785 . . . . 0.0 109.721 -173.69 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.74 83.09 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.718 0.807 . . . . 0.0 112.28 -176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . . . -70.53 -36.94 74.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.876 0.871 . . . . 0.0 111.256 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -70.91 -40.19 72.28 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.045 0.938 . . . . 0.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -61.93 -35.04 77.22 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.8 0.688 . . . . 0.0 110.595 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.42 -37.54 71.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.087 0.867 . . . . 0.0 111.066 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' ALA . 84.7 mt -64.16 -40.01 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.11 85.72 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.078 0.951 . . . . 0.0 110.925 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 12' ' ' ARG . 4.1 mmp_? -60.36 -50.59 73.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.324 0.649 . . . . 0.0 110.116 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -69.96 -41.39 74.57 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.146 0.904 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.49 -52.64 64.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.242 0.544 . . . . 0.0 110.74 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 51.9 m80 -72.7 -19.29 61.43 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -66.62 -42.82 86.22 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 122.456 0.302 . . . . 0.0 110.772 167.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 52' ' ' LEU . 2.6 mm? -79.13 -25.93 42.88 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 119.047 -0.501 . . . . 0.0 112.23 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 15' ' ' HIS . 80.6 p -93.17 -57.52 2.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.256 0.48 . . . . 0.0 111.424 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.57 -44.56 10.01 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.338 0.655 . . . . 0.0 110.124 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . 93.16 -108.93 3.73 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.208 -172.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -154.35 1.3 0.21 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.873 0.869 . . . . 0.0 111.593 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.25 -40.5 2.37 Favored Glycine 0 C--N 1.356 1.663 0 CA-C-O 120.003 -0.332 . . . . 0.0 113.688 -174.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -52.6 113.93 1.23 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.126 1.37 . . . . 0.0 111.626 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.18 -36.76 74.86 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 124.027 0.829 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.31 46.78 1.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.812 0.845 . . . . 0.0 110.174 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 39.7 t -75.41 162.65 28.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.484 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -137.88 72.34 1.41 Allowed 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 122.102 0.953 . . . . 0.0 110.787 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -164.05 124.49 2.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.004 0.922 . . . . 0.0 108.67 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -67.85 -35.2 78.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.368 0.667 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -90.29 77.55 6.63 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.7 t -168.31 125.26 1.06 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.578 0.351 . . . . 0.0 110.112 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -70.67 161.16 31.27 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.318 0.647 . . . . 0.0 110.102 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 m 64.56 14.1 8.71 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 123.596 0.758 . . . . 0.0 111.379 -174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.571 ' HG ' ' HG ' ' A' ' 26' ' ' CYS . 23.1 m -115.81 141.13 27.04 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 123.732 0.813 . . . . 0.0 109.248 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -19.01 46.43 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.013 2.475 . . . . 0.0 112.711 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.7 p -75.95 -7.54 54.82 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.97 0.908 . . . . 0.0 112.026 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HZ ' ' HG2' ' A' ' 40' ' ' MET . 82.6 t80 -123.62 129.27 50.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.484 0.714 . . . . 0.0 110.666 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.11 132.81 35.81 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 170.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 30.2 mmt180 -56.96 146.1 28.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.09 0.956 . . . . 0.0 113.251 -172.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.422 ' HG2' ' HZ ' ' A' ' 37' ' ' PHE . 19.9 ptp -132.56 154.65 49.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.94 171.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.15 167.37 20.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.887 0.475 . . . . 0.0 110.476 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -68.49 -26.16 65.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.377 0.671 . . . . 0.0 112.502 -171.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -72.12 -46.07 58.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.196 0.599 . . . . 0.0 109.66 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.59 74.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.46 61.49 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.413 1.085 . . . . 0.0 111.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.49 68.73 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.344 0.658 . . . . 0.0 110.68 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.3 mm -60.43 -52.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.244 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 52' ' ' LEU . 49.2 tptt -63.34 -26.71 68.88 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.112 0.882 . . . . 0.0 111.201 -176.632 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.59 64.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.465 0.706 . . . . 0.0 110.488 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 -28.45 63.6 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.882 0.739 . . . . 0.0 112.034 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 26.6 mm-40 -64.79 -52.27 57.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 HD21 ' A' ' 17' ' ' LEU . 89.0 mt -70.21 -26.19 63.75 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.802 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -69.09 -49.9 53.08 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.348 0.405 . . . . 0.0 110.92 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -74.54 -32.39 62.43 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.7 pt -81.18 -14.28 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.282 0.233 . . . . 0.0 110.647 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 56.69 63.09 2.05 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.754 1.221 . . . . 0.0 110.145 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.91 169.07 18.91 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.365 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -61.22 122.82 16.03 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.64 0.733 . . . . 0.0 110.86 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.0 tp -102.2 149.1 24.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.968 0.907 . . . . 0.0 109.009 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 121.616 0.722 . . . . 0.0 110.114 -176.56 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.74 74.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.257 1.023 . . . . 0.0 111.322 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.07 62.24 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.284 1.034 . . . . 0.0 110.123 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.26 -41.69 97.36 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.208 0.942 . . . . 0.0 111.398 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 39.8 m170 -65.97 -42.4 89.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.785 0.678 . . . . 0.0 110.238 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.35 -45.62 90.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.848 0.859 . . . . 0.0 110.765 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.04 -41.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.714 0.805 . . . . 0.0 109.996 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.08 -32.36 71.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.947 0.899 . . . . 0.0 110.825 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 6.3 mmt180 -72.03 -44.17 63.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.247 0.619 . . . . 0.0 109.769 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -65.98 -34.25 77.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -69.97 -55.4 9.71 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.589 0.755 . . . . 0.0 110.187 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -63.22 -24.86 68.07 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.095 0.872 . . . . 0.0 111.133 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.84 -48.64 73.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.104 0.962 . . . . 0.0 110.831 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.09 -44.2 48.69 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.967 0.507 . . . . 0.0 111.575 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 p -77.53 -59.26 2.86 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.608 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -94.45 -37.73 11.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.072 0.549 . . . . 0.0 110.953 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.51 -130.57 10.33 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.614 -171.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 9.2 p -148.24 1.84 0.64 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.765 0.826 . . . . 0.0 112.254 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.52 -33.43 3.91 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 120.001 -0.333 . . . . 0.0 113.129 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 2.9 t-20 -57.71 114.04 2.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.185 0.994 . . . . 0.0 112.019 -177.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.02 -50.98 69.88 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.652 1.181 . . . . 0.0 113.019 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.92 54.43 0.71 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.421 0.688 . . . . 0.0 109.525 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 51.2 t -76.0 138.89 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.751 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -117.97 75.53 1.01 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.328 1.061 . . . . 0.0 110.311 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -147.5 116.29 6.77 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.396 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.49 -32.31 49.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.683 1.193 . . . . 0.0 112.01 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -104.86 74.68 1.14 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.095 0.958 . . . . 0.0 108.602 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.2 t -172.35 138.84 0.96 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 118.458 0.572 . . . . 0.0 111.012 171.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 152.41 42.24 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m 69.85 18.55 7.33 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.939 1.295 . . . . 0.0 111.59 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -112.45 130.68 23.14 Favored Pre-proline 0 C--N 1.351 0.665 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 169.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.85 -22.58 63.23 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.459 2.106 . . . . 0.0 111.779 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -71.14 -23.74 62.13 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.0 1.32 . . . . 0.0 112.417 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -98.58 140.62 32.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.273 0.629 . . . . 0.0 110.486 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.59 147.12 37.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.938 0.895 . . . . 0.0 109.368 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -66.03 138.29 57.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.012 0.925 . . . . 0.0 112.617 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -136.26 159.48 41.61 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.051 0.94 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.83 161.13 31.41 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.435 0.694 . . . . 0.0 110.521 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.36 -25.99 68.21 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.215 0.606 . . . . 0.0 111.498 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.89 -54.49 30.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.781 . . . . 0.0 109.434 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.03 77.36 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.402 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.52 50.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.109 0.964 . . . . 0.0 111.542 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -45.16 68.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.822 0.449 . . . . 0.0 110.537 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.6 mm -61.26 -50.05 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.411 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.2 tptm -67.54 -26.3 66.25 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.864 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.077 0.551 . . . . 0.0 110.688 174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.53 -38.99 91.27 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.785 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 23.9 mm-40 -67.55 -43.49 80.57 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.363 0.415 . . . . 0.0 110.581 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 81.8 mt -70.18 -26.06 63.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.276 0.63 . . . . 0.0 111.101 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.18 -45.65 32.29 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.195 0.31 . . . . 0.0 110.768 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -27.76 63.52 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 pt -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 122.637 0.375 . . . . 0.0 110.127 174.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 57.08 74.89 0.39 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.137 -172.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.3 179.46 7.66 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.37 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -67.85 102.42 1.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 121.912 0.863 . . . . 0.0 109.817 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.46 146.25 27.72 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.939 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.004 0.922 . . . . 0.0 109.908 -178.738 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.401 0.143 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.71 -28.54 66.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.028 0.531 . . . . 0.0 111.264 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.63 78.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.004 0.922 . . . . 0.0 110.607 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 87.5 tttt -70.0 -34.02 72.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.529 0.732 . . . . 0.0 110.142 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t-160 -73.79 -24.79 59.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.537 175.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -33.74 54.82 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 7' ' ' LYS . 96.6 mt -63.01 -37.57 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.27 -29.36 68.96 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.435 1.094 . . . . 0.0 110.953 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 7.3 mmm180 -64.44 -44.47 91.05 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.02 -31.32 62.87 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.681 0.792 . . . . 0.0 112.089 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -72.26 -43.91 63.63 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -63.88 -36.01 82.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.442 1.089 . . . . 0.0 109.782 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.16 -30.67 71.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.166 0.987 . . . . 0.0 111.441 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.73 -51.71 6.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.805 0.442 . . . . 0.0 111.847 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.8 p -77.2 -39.68 47.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.962 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -103.46 -41.88 5.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.419 0.688 . . . . 0.0 110.37 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -128.11 9.41 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.09 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 p -153.83 16.02 0.5 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.822 0.449 . . . . 0.0 111.896 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.99 -32.89 2.68 Favored Glycine 0 C--N 1.354 1.532 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -56.63 113.6 1.7 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.215 1.006 . . . . 0.0 111.256 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.96 -25.25 57.65 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.946 0.898 . . . . 0.0 112.672 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.09 71.55 1.44 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 123.65 0.78 . . . . 0.0 109.952 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 42.2 t -80.85 142.31 33.76 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.74 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.3 p -110.45 62.43 0.6 Allowed 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.471 0.653 . . . . 0.0 110.833 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -152.18 114.47 4.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 -21.71 64.07 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.555 0.742 . . . . 0.0 111.961 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -90.12 29.83 1.17 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.205 1.002 . . . . 0.0 111.296 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -154.91 142.16 19.45 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 122.115 -0.366 . . . . 0.0 111.837 -171.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.08 22.23 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m 75.67 4.2 3.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.71 1.204 . . . . 0.0 110.07 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.0 m -102.01 141.12 21.9 Favored Pre-proline 0 C--N 1.353 0.725 0 C-N-CA 124.306 1.042 . . . . 0.0 109.537 174.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 12.1 Cg_exo -68.77 -22.59 36.79 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.804 2.336 . . . . 0.0 111.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.1 p -86.08 -10.53 54.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.187 0.995 . . . . 0.0 112.405 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -85.77 144.18 27.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.763 0.425 . . . . 0.0 110.328 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.1 tp -120.77 139.11 53.58 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -69.15 151.06 46.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.103 0.954 . . . . 0.0 111.818 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -139.86 178.98 6.86 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 113.65 -1.613 . . . . 0.0 109.511 -169.579 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -81.4 156.34 25.46 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.387 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.74 -35.83 77.36 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.508 0.723 . . . . 0.0 112.095 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -74.11 -31.48 62.8 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.032 0.533 . . . . 0.0 110.561 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.04 80.27 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.787 0.435 . . . . 0.0 110.003 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.71 68.85 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.571 0.749 . . . . 0.0 110.867 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.0 66.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.353 0.661 . . . . 0.0 110.978 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.5 mm -63.76 -48.49 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.277 0.631 . . . . 0.0 109.598 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.0 tptm -66.49 -32.07 73.2 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.628 0.58 . . . . 0.0 110.76 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.15 87.85 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.029 0.532 . . . . 0.0 110.932 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.66 -37.3 76.65 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.944 0.777 . . . . 0.0 111.126 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 14.4 mm-40 -62.96 -40.01 96.41 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.47 0.481 . . . . 0.0 110.006 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 44.8 mt -73.47 -35.3 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.412 0.685 . . . . 0.0 110.84 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.72 -40.71 76.09 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.941 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -73.66 -36.19 65.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 122.309 0.244 . . . . 0.0 110.847 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.9 pt -86.03 -12.35 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.636 0.374 . . . . 0.0 111.526 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m120 59.15 65.65 1.16 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.294 1.038 . . . . 0.0 109.252 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 178.3 4.12 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.707 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.38 94.44 0.08 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.32 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -88.31 115.5 25.85 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.243 0.716 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.017 171.707 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.3 96.81 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.577 0.751 . . . . 0.0 110.588 172.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.48 85.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 124.058 0.849 . . . . 0.0 110.571 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.93 -38.1 81.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.379 1.072 . . . . 0.0 110.988 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.82 -33.96 64.38 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.602 0.564 . . . . 0.0 110.811 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.13 -41.96 73.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.407 0.683 . . . . 0.0 110.288 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 98.3 mt -65.01 -36.1 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 123.344 0.658 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.83 -44.39 96.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.16 0.984 . . . . 0.0 110.366 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.6 mmp_? -64.64 -46.81 80.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -71.57 -37.41 71.04 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.369 0.667 . . . . 0.0 111.88 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.72 -51.08 37.46 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.072 0.549 . . . . 0.0 110.095 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -59.95 -31.24 69.68 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.318 1.011 . . . . 0.0 110.459 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -63.46 -41.55 98.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.54 0.736 . . . . 0.0 111.275 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 48' ' ' LYS . 52.1 mt -81.84 -36.71 27.99 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.3 p -84.18 -56.07 3.85 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.323 0.649 . . . . 0.0 110.921 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -100.73 -30.78 11.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.035 0.934 . . . . 0.0 111.725 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.36 -130.66 10.4 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -172.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -155.61 18.06 0.39 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.571 0.748 . . . . 0.0 110.842 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -55.88 1.64 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 122.817 0.246 . . . . 0.0 112.915 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -70.61 116.53 11.04 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.136 0.574 . . . . 0.0 111.438 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.45 -47.71 75.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.941 0.896 . . . . 0.0 111.025 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.22 65.18 6.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.796 0.839 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.712 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.6 t -111.91 123.4 50.17 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.446 1.098 . . . . 0.0 109.051 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -85.88 69.0 10.53 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.972 1.367 . . . . 0.0 109.608 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -148.4 115.28 6.06 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.813 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.98 -16.15 60.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.108 0.963 . . . . 0.0 112.25 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -115.8 82.52 1.78 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.729 1.212 . . . . 0.0 108.677 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -167.9 123.16 1.01 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.37 46.88 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.165 0.438 . . . . 0.0 110.526 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.7 t 69.79 11.36 7.8 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.802 1.314 . . . . 0.0 111.428 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.712 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m -109.41 136.36 20.22 Favored Pre-proline 0 C--N 1.357 0.922 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.45 -19.87 42.52 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.028 2.485 . . . . 0.0 112.036 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.5 p -72.31 -18.14 61.8 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.875 1.27 . . . . 0.0 111.604 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.85 127.56 54.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.885 0.474 . . . . 0.0 111.515 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.09 111.16 22.51 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.24 162.93 16.3 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 122.072 0.939 . . . . 0.0 112.324 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.0 ptp -145.46 171.22 14.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.62 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.84 173.12 12.83 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.695 0.398 . . . . 0.0 110.355 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -35.89 82.36 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.414 0.686 . . . . 0.0 112.629 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -73.64 -39.28 64.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.9 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.59 64.1 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.028 0.931 . . . . 0.0 111.049 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.04 45.93 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.407 0.683 . . . . 0.0 110.634 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -60.69 -46.63 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.967 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 20.2 tptp -63.46 -37.51 87.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.346 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.99 99.59 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.685 0.794 . . . . 0.0 111.069 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.17 -30.73 67.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.033 0.833 . . . . 0.0 111.482 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.14 -41.87 80.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.527 0.331 . . . . 0.0 110.64 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 48.8 mt -70.86 -27.44 63.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.235 0.614 . . . . 0.0 110.925 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.74 -49.96 54.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.888 0.875 . . . . 0.0 110.355 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -36.19 65.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 0.0 112.267 -173.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 57' ' ' ALA . 20.3 pt -82.98 -20.76 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 122.808 0.443 . . . . 0.0 110.931 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.7 t30 60.47 74.05 0.46 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.753 1.221 . . . . 0.0 109.66 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 55' ' ' ILE . . . -82.68 -170.92 3.22 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.381 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.81 127.91 34.28 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.119 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 12' ' ' ARG . 46.5 tp -120.45 140.27 51.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.121 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.24 0.595 0 C-N-CA 124.355 1.062 . . . . 0.0 108.216 172.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.82 97.8 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.328 0.651 . . . . 0.0 110.724 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.86 53.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.228 1.011 . . . . 0.0 111.1 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -58.08 -51.03 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.924 0.89 . . . . 0.0 111.485 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.561 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.5 m170 -70.26 -28.03 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -50.37 70.53 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.089 0.555 . . . . 0.0 109.882 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -58.58 -41.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.472 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.91 -36.45 83.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.345 1.058 . . . . 0.0 111.293 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HB3' HD21 ' A' ' 59' ' ' LEU . 64.0 mtm180 -72.74 -35.85 67.62 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.489 0.493 . . . . 0.0 110.61 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -69.75 -39.39 76.78 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.828 0.705 . . . . 0.0 110.962 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -66.91 -44.7 80.09 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.633 0.773 . . . . 0.0 109.806 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -64.92 -34.33 78.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.185 0.994 . . . . 0.0 110.506 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 43.5 tt0 -66.94 -33.58 75.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.432 1.093 . . . . 0.0 110.907 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.4 -35.83 27.3 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.631 0.372 . . . . 0.0 111.898 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -85.6 -60.88 1.89 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.245 0.618 . . . . 0.0 111.728 -174.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -92.27 -35.42 13.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.38 0.672 . . . . 0.0 110.903 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 16' ' ' GLN . . . 92.11 -110.88 3.95 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.59 12.18 0.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.923 0.889 . . . . 0.0 109.794 170.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -44.55 3.15 Favored Glycine 0 C--N 1.359 1.81 0 N-CA-C 114.109 0.404 . . . . 0.0 114.109 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -69.71 134.66 48.9 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.071 0.949 . . . . 0.0 111.974 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.9 -34.74 51.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.082 0.953 . . . . 0.0 111.356 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.47 4.91 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.247 1.019 . . . . 0.0 110.156 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 14.0 t -120.39 126.01 49.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.327 1.051 . . . . 0.0 110.26 -173.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -91.55 37.45 0.96 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.792 0.837 . . . . 0.0 110.987 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 49.6 t-20 -127.37 113.25 16.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.13 -19.54 53.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.159 0.983 . . . . 0.0 112.195 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -92.96 37.92 1.03 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.051 0.94 . . . . 0.0 109.591 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLN . 51.0 t -143.88 122.71 12.69 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.456 0.302 . . . . 0.0 111.449 -168.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.39 162.25 15.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.579 0.752 . . . . 0.0 111.121 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 m 65.6 8.37 5.09 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.074 0.949 . . . . 0.0 111.967 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 14.6 m -110.73 140.91 23.09 Favored Pre-proline 0 C--N 1.359 0.982 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.45 -14.22 36.7 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.812 2.341 . . . . 0.0 112.575 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.5 p -88.84 10.73 20.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.573 1.149 . . . . 0.0 111.804 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -112.2 132.14 55.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.566 0.746 . . . . 0.0 110.803 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.81 126.3 35.98 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -67.08 152.55 45.56 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.775 0.83 . . . . 0.0 111.285 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.35 176.06 9.03 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.431 -166.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -91.71 159.51 15.81 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -61.05 -36.58 79.96 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.975 0.51 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.41 -40.6 93.59 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.302 0.641 . . . . 0.0 110.438 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.59 81.21 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.315 0.646 . . . . 0.0 110.845 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.603 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -70.56 -34.16 71.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.076 0.95 . . . . 0.0 110.784 177.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -48.65 64.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.183 0.593 . . . . 0.0 110.348 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.66 -50.48 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.767 0.827 . . . . 0.0 109.97 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 tptm -70.47 -25.65 63.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.986 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.66 98.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.025 0.53 . . . . 0.0 110.529 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.34 -31.79 69.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.569 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.98 -43.67 74.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.683 0.393 . . . . 0.0 110.903 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.6 mt -69.95 -27.4 64.71 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.137 0.575 . . . . 0.0 110.671 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -67.98 -51.67 44.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.506 0.722 . . . . 0.0 111.203 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -30.14 66.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.175 0.59 . . . . 0.0 111.882 -173.446 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -90.75 -12.96 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.632 0.373 . . . . 0.0 111.236 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 58.42 60.67 2.51 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.746 1.219 . . . . 0.0 110.665 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 173.26 9.74 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.076 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 28' ' ' ASN . 15.6 ptmt -59.66 126.52 27.92 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.447 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 12' ' ' ARG . 4.7 tt -121.01 134.38 55.3 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.958 0.503 . . . . 0.0 110.114 -171.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 123.166 0.587 . . . . 0.0 109.754 172.036 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.97 110.02 1.65 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.424 0.69 . . . . 0.0 109.814 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -85.89 97.77 10.4 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.55 98.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.364 0.666 . . . . 0.0 111.466 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.28 99.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.422 0.689 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.03 86.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.647 0.779 . . . . 0.0 111.466 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -65.43 -40.87 93.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.545 0.738 . . . . 0.0 110.942 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 m80 -70.97 -33.56 70.56 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.731 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -46.42 88.77 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.154 0.582 . . . . 0.0 109.555 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.48 -37.46 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.337 1.055 . . . . 0.0 110.429 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.44 -24.95 62.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.91 0.884 . . . . 0.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 86.0 mtt180 -77.69 -34.36 52.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.743 0.417 . . . . 0.0 110.309 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -68.16 -41.65 81.21 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 123.767 0.667 . . . . 0.0 110.215 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.0 -41.96 94.93 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.886 0.874 . . . . 0.0 110.085 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.66 -36.81 84.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.904 0.882 . . . . 0.0 109.59 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.01 -38.7 86.99 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.126 0.892 . . . . 0.0 111.228 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.3 -41.36 25.06 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.3 p -78.27 -59.74 2.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.22 0.464 . . . . 0.0 111.799 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -101.77 -22.02 14.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.185 0.594 . . . . 0.0 111.849 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.26 -144.62 17.32 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 122.913 0.292 . . . . 0.0 112.85 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' OD1' ' A' ' 23' ' ' ASN . 20.1 p -131.93 9.38 4.53 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.42 0.688 . . . . 0.0 111.701 177.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.5 -42.14 2.92 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 114.589 0.595 . . . . 0.0 114.589 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.546 ' OD1' ' SG ' ' A' ' 21' ' ' CYS . 32.3 p-10 -72.13 138.89 48.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.804 0.441 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.29 -43.69 73.32 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 75.79 10.21 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.668 0.747 . . . . 0.0 110.484 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.4 t -134.68 122.4 22.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.417 172.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -116.53 69.85 0.75 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 123.144 1.449 . . . . 0.0 108.897 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -127.92 113.6 16.09 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.42 -26.55 68.5 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.348 0.659 . . . . 0.0 111.915 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -87.39 23.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.027 0.931 . . . . 0.0 111.259 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 52.6 t -146.84 138.28 24.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 122.926 0.491 . . . . 0.0 111.83 -170.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 165.32 23.93 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.841 1.256 . . . . 0.0 109.145 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 72.14 3.71 4.77 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.74 1.216 . . . . 0.0 111.018 -168.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 24.8 m -109.38 143.78 28.46 Favored Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 124.754 1.221 . . . . 0.0 108.878 175.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.15 -32.37 93.18 Favored 'Trans proline' 0 C--N 1.379 2.162 0 C-N-CA 123.325 2.683 . . . . 0.0 113.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -81.84 1.06 36.62 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.61 1.164 . . . . 0.0 113.437 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 72.1 t80 -84.08 133.77 34.63 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.632 . . . . 0.0 111.617 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -103.49 127.51 50.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -58.7 108.44 0.65 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.253 1.021 . . . . 0.0 111.876 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 23.2 ptp -101.95 168.89 9.12 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.044 0.938 . . . . 0.0 110.399 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.96 165.18 25.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.987 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.57 -26.03 62.44 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.8 0.44 . . . . 0.0 111.588 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.12 -44.22 72.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.32 71.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.04 0.936 . . . . 0.0 111.389 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.61 -35.21 75.06 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.141 0.976 . . . . 0.0 110.524 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.86 60.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.97 -49.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.432 0.693 . . . . 0.0 109.784 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.4 -23.19 58.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.45 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.68 94.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.054 0.541 . . . . 0.0 110.277 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.51 -36.87 79.47 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.01 0.819 . . . . 0.0 112.168 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -62.59 -55.35 27.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.658 0.383 . . . . 0.0 110.767 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.61 -27.1 68.15 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.291 0.995 . . . . 0.0 111.505 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.74 -53.52 21.42 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.004 0.522 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -69.88 -35.2 74.47 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.611 0.569 . . . . 0.0 110.944 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.24 -17.38 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.816 0.446 . . . . 0.0 110.587 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 57.44 65.73 1.29 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.817 1.247 . . . . 0.0 110.339 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.67 -165.97 1.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.416 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -69.95 96.53 1.04 Allowed 'General case' 0 C--O 1.243 0.75 0 C-N-CA 123.323 0.649 . . . . 0.0 110.309 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.6 tp -91.27 140.44 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m -94.4 101.86 13.8 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 173.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -73.58 140.24 78.46 Favored Pre-proline 0 C--O 1.245 0.832 0 O-C-N 123.504 0.503 . . . . 0.0 109.747 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.56 106.98 2.3 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.382 1.388 . . . . 0.0 110.176 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -123.98 94.79 45.12 Favored Pre-proline 0 N--CA 1.476 0.858 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 C--N 1.373 1.86 0 C-N-CA 122.751 2.301 . . . . 0.0 111.925 176.773 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.33 0.11 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.62 102.44 4.57 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -70.08 -27.48 64.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.336 0.655 . . . . 0.0 110.827 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.556 0.742 . . . . 0.0 110.423 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.81 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.745 0.818 . . . . 0.0 111.272 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.62 82.74 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.983 0.802 . . . . 0.0 110.807 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.26 -29.21 67.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.595 0.758 . . . . 0.0 112.138 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -69.39 -32.97 72.33 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.578 0.549 . . . . 0.0 110.434 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.64 -44.05 44.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.499 0.72 . . . . 0.0 110.9 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.79 -39.35 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.09 0.556 . . . . 0.0 109.768 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.71 -48.75 77.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.508 1.523 . . . . 0.0 111.136 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HE ' HD21 ' A' ' 59' ' ' LEU . 84.7 mtm-85 -74.77 -31.67 61.84 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -76.21 -40.35 52.41 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.992 0.517 . . . . 0.0 110.427 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -58.15 -51.84 68.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.02 0.928 . . . . 0.0 111.027 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -76.53 -20.94 56.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.89 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.74 -35.76 80.84 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.086 0.47 . . . . 0.0 110.527 169.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 48' ' ' LYS . 54.7 mt -89.74 -40.28 12.61 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 112.467 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -77.41 -53.75 7.27 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.918 0.487 . . . . 0.0 111.106 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -91.81 -50.89 5.49 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.654 0.74 . . . . 0.0 110.161 -175.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.68 -116.84 5.5 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.719 -172.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -156.05 -1.8 0.13 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.02 0.528 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.43 -33.87 1.8 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.188 0.449 . . . . 0.0 113.828 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -72.01 125.07 26.31 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.47 1.108 . . . . 0.0 111.18 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.65 -40.31 92.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.411 1.084 . . . . 0.0 111.443 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.11 6.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.777 0.831 . . . . 0.0 109.962 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.8 t -135.74 107.9 7.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -84.81 -5.02 59.32 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.573 1.149 . . . . 0.0 113.432 -172.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -82.84 112.35 19.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.903 0.481 . . . . 0.0 110.589 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -22.18 66.86 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.238 1.015 . . . . 0.0 112.037 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -88.53 28.74 1.07 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.71 0.804 . . . . 0.0 111.551 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -139.75 139.23 36.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.338 0.655 . . . . 0.0 109.721 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 163.17 28.32 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m 73.98 3.54 4.45 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.891 1.276 . . . . 0.0 111.178 -169.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.9 m -101.48 139.33 20.32 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.943 0.897 . . . . 0.0 110.03 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.52 -39.12 93.46 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.551 2.834 . . . . 0.0 113.364 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -89.1 8.16 31.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.133 0.973 . . . . 0.0 113.084 -172.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -82.32 139.39 34.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.0 0.52 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.05 118.16 36.45 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.8 125.67 24.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.006 0.816 . . . . 0.0 112.916 -172.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.0 ptp -133.34 119.94 20.35 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 124.088 0.955 . . . . 0.0 108.438 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.33 -174.29 3.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 110.958 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -43.35 -48.52 6.94 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 125.755 1.622 . . . . 0.0 115.198 -161.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.01 -49.25 47.14 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.444 0.565 . . . . 0.0 110.449 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.21 72.0 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 111.949 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.68 -25.77 26.34 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.47 67.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.317 0.647 . . . . 0.0 109.99 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.56 -50.05 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.131 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HB3' HD13 ' A' ' 17' ' ' LEU . 40.7 tptt -70.13 -22.61 62.98 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.115 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.69 89.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.17 0.588 . . . . 0.0 110.322 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 -39.19 91.0 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.308 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.06 -53.6 55.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.615 0.766 . . . . 0.0 111.032 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.28 -22.57 62.85 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.648 0.779 . . . . 0.0 111.439 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -74.04 -50.76 18.28 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 122.545 0.338 . . . . 0.0 110.816 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.79 -33.17 72.01 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -172.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.96 -14.66 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.736 0.415 . . . . 0.0 111.207 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.72 60.99 1.5 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.408 1.083 . . . . 0.0 110.16 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.18 178.71 7.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.047 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.64 105.84 1.64 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.742 0.817 . . . . 0.0 111.17 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD21 ' HE ' ' A' ' 12' ' ' ARG . 55.0 tp -87.09 136.05 33.07 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 23.7 t -85.96 5.72 31.86 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.244 0.618 . . . . 0.0 112.472 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 31.3 t70 -56.16 120.87 37.83 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 123.145 0.578 . . . . 0.0 109.471 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.15 108.11 2.08 Favored 'Trans proline' 0 C--N 1.367 1.519 0 C-N-CA 122.363 2.042 . . . . 0.0 111.499 -172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -94.65 160.05 32.25 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.902 0.881 . . . . 0.0 109.204 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 C--N 1.374 1.909 0 C-N-CA 122.341 2.027 . . . . 0.0 111.131 170.57 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.39 0.138 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -77.3 90.81 3.76 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 121.701 0.762 . . . . 0.0 109.652 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -86.62 -179.39 6.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.367 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.24 81.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.376 0.671 . . . . 0.0 110.409 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.42 74.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.722 0.809 . . . . 0.0 110.704 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.796 0.839 . . . . 0.0 111.305 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -63.25 -44.3 95.57 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.031 0.832 . . . . 0.0 109.537 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.9 m170 -61.5 -35.06 76.63 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.003 0.815 . . . . 0.0 111.257 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -37.04 73.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.951 0.901 . . . . 0.0 110.002 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.23 -38.08 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.671 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 36.1 mm-40 -65.59 -30.85 71.64 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.583 0.753 . . . . 0.0 111.783 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.7 mmp_? -66.8 -47.34 72.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.1 -36.29 81.64 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.315 1.009 . . . . 0.0 111.838 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.29 -49.83 57.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.754 0.422 . . . . 0.0 110.171 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -64.51 -29.16 70.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.66 0.784 . . . . 0.0 110.16 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 25.5 tt0 -64.25 -40.22 95.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.735 0.814 . . . . 0.0 110.643 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.02 -48.49 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.537 0.735 . . . . 0.0 112.172 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 p -82.81 -29.9 29.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.062 0.545 . . . . 0.0 112.253 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -117.95 -54.96 2.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.42 . . . . 0.0 111.339 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.1 -141.39 16.95 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.751 -172.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 p -141.36 2.28 1.65 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.273 1.029 . . . . 0.0 112.005 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.03 -33.07 6.02 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.881 -0.399 . . . . 0.0 112.383 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -51.14 118.62 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.477 1.111 . . . . 0.0 112.042 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.12 -47.21 83.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.95 104.05 13.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.25 1.02 . . . . 0.0 109.635 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -141.28 134.63 29.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.542 1.137 . . . . 0.0 108.179 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -114.55 83.55 1.91 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.17 0.988 . . . . 0.0 109.404 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -155.11 125.5 6.81 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.468 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.01 -16.83 63.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.889 1.276 . . . . 0.0 112.569 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.83 -0.09 31.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.701 0.8 . . . . 0.0 112.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.0 t -107.59 138.21 44.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.724 0.41 . . . . 0.0 110.114 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -72.73 149.07 44.06 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.926 0.49 . . . . 0.0 110.988 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m 74.91 4.33 4.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.326 1.45 . . . . 0.0 112.355 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 83.7 m -85.53 150.93 55.08 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.65 0.78 . . . . 0.0 110.343 175.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.99 -46.94 30.35 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 123.509 2.806 . . . . 0.0 114.021 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.0 p -89.31 16.06 8.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.91 0.884 . . . . 0.0 112.575 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 69.6 t80 -110.44 146.99 34.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.31 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.2 138.43 51.71 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.598 1.159 . . . . 0.0 108.761 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 21.8 mmt180 -68.02 117.11 9.45 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.668 0.605 . . . . 0.0 110.845 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.406 ' SD ' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.22 164.55 13.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.703 0.801 . . . . 0.0 110.672 175.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.05 162.75 18.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.796 0.839 . . . . 0.0 109.789 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -63.54 -37.01 85.68 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.996 0.519 . . . . 0.0 111.3 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -74.47 -35.74 63.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.616 0.766 . . . . 0.0 110.328 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.7 81.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.25 0.62 . . . . 0.0 110.532 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.36 -29.77 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 110.701 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -49.93 65.47 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.738 0.649 . . . . 0.0 110.258 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.0 -48.7 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.622 0.769 . . . . 0.0 110.058 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 50.1 tptt -63.44 -36.31 83.31 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.918 0.761 . . . . 0.0 110.582 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.94 98.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.413 0.685 . . . . 0.0 110.965 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -37.04 80.64 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.357 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.84 -40.39 72.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.623 0.369 . . . . 0.0 111.263 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 83.5 mt -70.49 -28.23 64.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.183 0.593 . . . . 0.0 110.726 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -69.67 -53.96 16.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.159 0.584 . . . . 0.0 110.474 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.57 -40.96 98.54 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.338 0.655 . . . . 0.0 111.846 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 pt -81.81 -20.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.874 0.47 . . . . 0.0 110.962 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 m120 56.28 73.64 0.43 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.767 1.227 . . . . 0.0 110.32 -170.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.74 -167.19 1.03 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.959 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.03 95.61 0.73 Allowed 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -78.72 131.78 36.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.387 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.29 88.85 4.55 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.578 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.46 147.29 84.84 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.706 167.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.31 108.45 1.79 Allowed 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 121.668 1.578 . . . . 0.0 110.429 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -98.14 105.17 26.63 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 123.834 0.853 . . . . 0.0 109.675 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--N 1.372 1.811 0 C-N-CA 122.892 2.394 . . . . 0.0 111.161 174.187 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -82.69 77.42 9.45 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -60.53 139.96 57.53 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.241 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.5 74.99 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.835 0.854 . . . . 0.0 112.507 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.73 87.35 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.392 0.677 . . . . 0.0 111.051 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB1' ' OH ' ' A' ' 53' ' ' TYR . . . -75.09 -26.03 58.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.797 1.239 . . . . 0.0 111.653 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -74.12 -52.62 11.99 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.514 1.126 . . . . 0.0 108.501 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 23.1 m-70 -70.42 -22.73 62.7 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.207 178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -43.1 92.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.176 0.99 . . . . 0.0 109.091 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.12 -35.2 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.446 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.35 -26.17 65.46 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.633 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.2 mmp_? -71.28 -42.78 68.3 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HA ' ' A' ' 53' ' ' TYR . 41.5 m-85 -63.94 -49.19 73.58 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.499 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.6 -39.13 76.15 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.712 0.805 . . . . 0.0 110.229 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.82 -42.84 97.56 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 124.204 0.94 . . . . 0.0 109.933 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -69.31 -25.87 64.44 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.75 0.656 . . . . 0.0 111.603 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 52' ' ' LEU . 2.5 mm? -87.26 -31.21 20.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.563 0.345 . . . . 0.0 111.883 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.0 p -87.96 -52.39 5.3 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 117.891 0.314 . . . . 0.0 111.554 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.58 -31.99 7.29 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.699 0.8 . . . . 0.0 112.433 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 -108.11 3.64 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -171.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.1 p -150.29 10.17 0.67 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.065 0.946 . . . . 0.0 110.473 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.03 -49.33 1.96 Allowed Glycine 0 C--N 1.355 1.585 0 C-N-CA 122.869 0.271 . . . . 0.0 112.693 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -66.15 116.5 7.3 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.414 0.686 . . . . 0.0 111.043 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -33.99 68.25 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.506 0.723 . . . . 0.0 111.224 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 48.76 1.69 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.479 1.111 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.591 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 42.4 t -102.64 124.28 47.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.819 1.247 . . . . 0.0 110.09 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.4 p -82.95 31.12 0.43 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.171 0.989 . . . . 0.0 112.868 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -112.36 113.29 25.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.537 1.135 . . . . 0.0 108.179 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -23.48 63.97 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.209 1.004 . . . . 0.0 112.461 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -90.05 23.03 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.497 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -126.76 126.03 42.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.426 0.69 . . . . 0.0 110.678 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.7 162.0 29.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.504 0.722 . . . . 0.0 110.262 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t 71.35 1.13 3.72 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 124.957 1.303 . . . . 0.0 111.325 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 36.1 m -99.65 144.78 28.95 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 122.97 0.508 . . . . 0.0 109.753 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.37 -5.7 17.29 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.85 2.367 . . . . 0.0 112.26 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -101.08 12.62 37.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.644 1.178 . . . . 0.0 111.511 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -120.62 156.1 32.37 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.659 0.784 . . . . 0.0 110.069 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.2 tp -115.24 111.94 21.7 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.567 1.147 . . . . 0.0 108.311 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -56.02 139.35 47.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 0.0 111.216 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -130.86 165.59 22.71 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.955 0.902 . . . . 0.0 110.146 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.6 162.4 25.97 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.033 0.933 . . . . 0.0 110.359 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -60.79 -40.79 93.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.855 0.862 . . . . 0.0 111.748 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -70.57 -39.24 74.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.884 0.474 . . . . 0.0 110.125 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.31 71.95 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.392 0.677 . . . . 0.0 110.863 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -28.82 60.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.223 1.009 . . . . 0.0 110.442 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -36.91 63.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.829 0.852 . . . . 0.0 111.047 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.5 -49.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.566 0.746 . . . . 0.0 109.827 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -67.65 -34.38 76.83 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.632 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.36 93.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.457 0.703 . . . . 0.0 110.622 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -36.72 66.6 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 124.293 0.996 . . . . 0.0 110.719 -178.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 68.8 mm-40 -59.82 -55.38 34.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.53 0.732 . . . . 0.0 110.141 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 17' ' ' LEU . 73.6 mt -67.22 -26.35 66.55 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.107 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' OH ' ' HB1' ' A' ' 6' ' ' ALA . 48.4 t80 -65.79 -54.53 25.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.288 0.635 . . . . 0.0 111.061 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 21.2 pttp -71.07 -28.03 64.06 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.748 0.655 . . . . 0.0 111.769 -171.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.6 pt -89.29 -14.56 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.655 0.382 . . . . 0.0 111.57 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.7 m120 58.76 68.26 0.84 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.757 1.223 . . . . 0.0 110.957 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.28 -179.94 6.0 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.838 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.85 117.14 11.98 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.256 1.023 . . . . 0.0 111.762 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.92 145.57 26.89 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 110.555 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.8 m -86.46 -31.22 21.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.692 166.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.83 141.68 68.65 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.482 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.5 141.15 79.34 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.97 2.446 . . . . 0.0 111.388 169.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -66.27 123.19 84.73 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.167 0.587 . . . . 0.0 109.654 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo . . . . . 0 C--N 1.375 1.966 0 C-N-CA 123.11 2.54 . . . . 0.0 111.591 177.194 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.53 91.74 0.8 Allowed 'General case' 0 C--N 1.358 0.956 0 C-N-CA 123.286 0.634 . . . . 0.0 109.959 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -148.21 129.66 14.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.52 98.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.41 75.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.337 0.655 . . . . 0.0 111.501 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.49 44.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.669 0.788 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -59.55 -46.2 89.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.688 0.795 . . . . 0.0 110.728 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.594 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 55.9 m-70 -72.36 -23.72 61.17 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.495 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -46.71 64.59 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.135 0.574 . . . . 0.0 109.613 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.86 -36.23 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.986 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.1 -35.54 77.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.84 1.256 . . . . 0.0 111.223 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 91.0 mtt180 -71.59 -39.45 70.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 123.575 0.547 . . . . 0.0 111.507 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -67.93 -38.24 82.64 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.857 0.723 . . . . 0.0 111.195 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -68.42 -47.68 66.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.374 0.67 . . . . 0.0 109.931 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -61.07 -35.46 77.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.25 1.02 . . . . 0.0 110.263 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.76 -44.85 96.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.013 0.925 . . . . 0.0 111.367 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -79.66 -43.84 22.03 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 123.641 0.588 . . . . 0.0 112.442 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.2 p -84.54 -59.96 2.21 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.016 0.526 . . . . 0.0 111.541 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -79.56 -42.08 25.84 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.36 0.664 . . . . 0.0 110.867 -172.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.07 -153.88 22.12 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.417 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -132.59 2.9 3.82 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.833 0.853 . . . . 0.0 111.96 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.16 -34.73 2.17 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.54 137.97 57.85 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.481 1.113 . . . . 0.0 112.293 -173.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.91 -74.85 0.05 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.762 1.225 . . . . 0.0 111.681 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.32 78.48 3.07 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.21 0.529 . . . . 0.0 110.001 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 12.3 t -82.12 127.31 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.201 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -92.55 56.33 2.68 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.744 0.818 . . . . 0.0 112.23 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -155.88 120.13 4.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.177 0.591 . . . . 0.0 109.794 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -38.45 78.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.02 0.928 . . . . 0.0 112.033 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -88.9 62.17 6.24 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.798 0.839 . . . . 0.0 110.225 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.1 t -165.6 132.37 2.78 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.677 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 159.45 34.57 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m 75.32 10.7 3.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.703 1.252 . . . . 0.0 110.88 -162.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.9 m -114.44 133.59 22.45 Favored Pre-proline 0 C--O 1.243 0.712 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 167.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.4 -20.33 61.36 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.72 2.28 . . . . 0.0 112.227 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -72.58 -24.24 61.07 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.323 1.049 . . . . 0.0 111.651 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -78.05 122.44 25.58 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.409 0.443 . . . . 0.0 110.494 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.27 127.28 32.54 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -62.13 106.72 0.76 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.649 0.593 . . . . 0.0 110.631 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptm -95.62 169.46 10.02 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.644 1.178 . . . . 0.0 109.767 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.29 162.95 28.76 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.404 0.682 . . . . 0.0 109.964 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -65.18 -37.82 88.57 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.117 0.967 . . . . 0.0 111.11 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -67.39 -42.92 82.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.203 0.601 . . . . 0.0 109.827 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.71 89.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.623 1.202 . . . . 0.0 111.081 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.34 -27.09 60.53 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.002 0.921 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.43 64.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.211 0.604 . . . . 0.0 110.639 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.4 mm -63.95 -50.36 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptm -70.48 -22.12 62.7 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.561 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.12 94.95 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.699 0.4 . . . . 0.0 110.06 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.84 -35.09 74.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.16 0.913 . . . . 0.0 111.867 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 18.9 mm-40 -66.01 -58.07 6.33 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -60.21 -26.23 66.22 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.286 0.991 . . . . 0.0 111.535 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.13 -57.03 9.63 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.38 0.672 . . . . 0.0 110.754 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -75.43 -33.37 60.92 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.469 0.481 . . . . 0.0 111.641 -172.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.434 HD11 HD23 ' A' ' 52' ' ' LEU . 10.6 pt -81.42 -7.39 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.516 0.326 . . . . 0.0 110.74 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 58.78 53.62 5.75 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 124.784 1.234 . . . . 0.0 110.88 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.7 -174.08 2.86 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.534 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -70.51 105.71 3.18 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.943 -172.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.37 136.28 37.64 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.443 0.697 . . . . 0.0 109.833 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.0 t -114.67 -32.29 5.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.921 1.289 . . . . 0.0 109.226 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.93 146.9 95.71 Favored Pre-proline 0 C--O 1.248 1.004 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.628 171.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.15 135.1 56.37 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 122.591 2.194 . . . . 0.0 112.435 -173.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -117.17 93.26 41.98 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.972 0.909 . . . . 0.0 108.913 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 C--N 1.371 1.724 0 C-N-CA 122.759 2.306 . . . . 0.0 110.636 172.112 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -72.61 149.17 44.17 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -90.44 31.45 1.02 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.377 0.671 . . . . 0.0 110.916 -172.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.0 65.71 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.23 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.41 80.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.057 0.543 . . . . 0.0 110.743 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.51 74.72 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.954 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.35 -39.53 78.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.345 1.058 . . . . 0.0 110.28 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.568 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.4 m80 -64.18 -40.8 96.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 173.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.03 98.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.447 0.699 . . . . 0.0 110.161 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.02 -36.41 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.626 0.771 . . . . 0.0 110.384 173.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -64.6 -32.21 73.76 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.912 0.885 . . . . 0.0 110.217 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 40.6 mtp85 -75.01 -38.2 61.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.33 0.652 . . . . 0.0 110.454 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.13 -41.35 94.91 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.455 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -66.76 -39.03 87.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.237 0.615 . . . . 0.0 109.776 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.16 -41.01 91.89 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 124.473 1.108 . . . . 0.0 109.153 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.11 -44.07 97.92 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.125 0.891 . . . . 0.0 111.632 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.64 -37.71 79.9 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.065 0.393 . . . . 0.0 111.885 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 p -89.83 -65.91 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.73 -46.49 12.2 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.546 0.738 . . . . 0.0 110.908 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.64 -109.26 3.78 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -173.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -153.36 2.37 0.28 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.644 0.778 . . . . 0.0 112.101 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -31.54 4.94 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.255 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -52.41 136.58 31.25 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.402 1.081 . . . . 0.0 112.765 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -73.47 -57.79 3.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.821 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.03 101.28 13.61 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.817 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.4 t -136.77 115.64 12.24 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.076 0.95 . . . . 0.0 109.043 173.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -91.12 59.02 3.88 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 122.746 1.26 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.23 120.23 21.91 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.545 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.78 -26.55 66.15 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.391 1.476 . . . . 0.0 113.139 -173.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.62 5.97 45.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.771 0.829 . . . . 0.0 112.022 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -104.57 134.54 47.56 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.92 0.488 . . . . 0.0 110.855 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.7 158.98 31.62 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.532 0.733 . . . . 0.0 109.735 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 m 65.31 17.08 10.86 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 124.186 0.929 . . . . 0.0 111.286 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 35.7 m -112.03 146.13 34.19 Favored Pre-proline 0 C--N 1.364 1.222 0 C-N-CA 123.356 0.662 . . . . 0.0 109.826 173.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -10.02 26.44 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.714 2.276 . . . . 0.0 112.986 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.2 p -95.68 4.84 52.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.245 1.018 . . . . 0.0 111.801 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -131.59 137.53 48.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.039 0.536 . . . . 0.0 109.831 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.61 160.63 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.829 0.852 . . . . 0.0 110.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -69.91 126.64 30.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.724 0.81 . . . . 0.0 110.225 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -168.9 1.5 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.424 1.089 . . . . 0.0 111.056 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.11 160.37 15.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 0.0 109.018 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.21 -40.48 81.71 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.114 0.966 . . . . 0.0 112.06 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -70.03 -38.77 75.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.539 0.736 . . . . 0.0 110.278 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.2 77.5 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.441 0.697 . . . . 0.0 111.147 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.64 77.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.726 0.81 . . . . 0.0 110.549 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -47.08 68.84 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.341 0.657 . . . . 0.0 111.727 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.89 -49.8 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.213 0.605 . . . . 0.0 109.771 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.7 tptm -67.44 -28.77 68.16 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.672 0.607 . . . . 0.0 110.715 -175.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.3 89.83 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.957 0.503 . . . . 0.0 110.561 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.37 -38.0 80.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -60.13 -55.14 37.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.061 0.544 . . . . 0.0 109.92 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 76.6 mt -61.7 -32.22 72.41 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.084 0.954 . . . . 0.0 111.727 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -64.25 -56.44 14.61 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 123.742 0.651 . . . . 0.0 110.528 175.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.56 -16.46 57.41 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 pt -93.74 -15.06 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.233 0.47 . . . . 0.0 110.43 174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 62.75 68.19 0.66 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.299 1.04 . . . . 0.0 110.061 -175.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.14 176.58 7.52 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.434 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -69.61 100.41 1.45 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.182 0.993 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -84.16 130.58 34.83 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.521 0.728 . . . . 0.0 109.617 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.8 t -96.81 -31.23 12.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.76 0.824 . . . . 0.0 111.167 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.54 122.38 87.36 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.585 173.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.24 106.41 0.3 Allowed 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.084 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -70.46 139.77 86.93 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.854 0.462 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--N 1.38 2.233 0 C-N-CA 123.303 2.668 . . . . 0.0 112.753 -178.005 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tmm? . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -89.5 110.39 21.23 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.509 0.724 . . . . 0.0 110.19 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -67.11 -20.16 65.74 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.398 1.079 . . . . 0.0 112.911 -171.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.5 -48.66 59.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.196 0.598 . . . . 0.0 110.686 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.0 89.48 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.804 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.4 84.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.415 1.086 . . . . 0.0 111.424 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.67 -50.33 73.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.364 1.066 . . . . 0.0 110.831 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 5.7 m-70 -67.23 -31.46 71.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.483 -177.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -46.17 80.69 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.336 0.654 . . . . 0.0 110.427 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.68 -38.95 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 O-C-N 123.788 0.68 . . . . 0.0 110.084 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.7 -28.81 65.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.594 0.757 . . . . 0.0 112.379 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 3.7 mmp_? -69.55 -45.49 68.64 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.896 0.479 . . . . 0.0 110.163 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -65.86 -40.88 92.11 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.582 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -61.27 -45.04 96.15 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.655 0.782 . . . . 0.0 110.61 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -58.95 -36.49 74.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.496 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.39 -30.12 68.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.346 0.658 . . . . 0.0 112.065 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.59 -38.16 17.4 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 118.567 0.621 . . . . 0.0 112.035 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -76.46 -41.29 47.8 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 120.928 0.394 . . . . 0.0 111.773 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.96 -57.05 2.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.586 0.754 . . . . 0.0 109.969 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.54 -120.76 4.62 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.85 2.9 0.53 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.169 0.588 . . . . 0.0 111.852 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.79 3.11 Favored Glycine 0 N--CA 1.475 1.235 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 105.21 0.36 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.29 1.036 . . . . 0.0 110.168 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.99 -34.47 64.21 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 61.9 7.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.898 0.879 . . . . 0.0 109.289 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 36.1 t -113.86 119.01 35.82 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.993 0.917 . . . . 0.0 109.968 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -87.27 58.75 5.17 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.708 0.803 . . . . 0.0 111.603 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -142.71 113.1 7.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.171 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.91 -27.02 68.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.333 1.053 . . . . 0.0 111.563 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.3 37.48 0.82 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.669 1.187 . . . . 0.0 110.575 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -153.48 139.84 18.61 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.828 0.451 . . . . 0.0 110.48 -172.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.04 163.63 19.77 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.17 0.988 . . . . 0.0 109.923 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.9 m 70.87 1.51 3.79 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.342 1.457 . . . . 0.0 111.198 -172.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 56.2 m -93.13 146.75 32.53 Favored Pre-proline 0 C--N 1.358 0.952 0 C-N-CA 123.704 0.802 . . . . 0.0 109.947 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.07 -31.14 92.39 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.34 2.693 . . . . 0.0 112.18 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -87.26 14.17 8.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.88 1.272 . . . . 0.0 112.549 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.66 135.53 46.92 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.849 0.459 . . . . 0.0 110.333 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.42 145.69 34.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -65.17 115.84 5.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.982 0.513 . . . . 0.0 110.761 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 ptm -111.72 161.45 16.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.652 1.181 . . . . 0.0 108.612 173.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.37 167.51 20.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.238 0.615 . . . . 0.0 110.92 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.31 -32.21 66.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.41 -34.92 68.21 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.134 0.573 . . . . 0.0 110.139 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.53 75.05 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.238 0.615 . . . . 0.0 110.608 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.94 60.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.382 1.073 . . . . 0.0 110.585 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.84 69.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.555 0.742 . . . . 0.0 110.586 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.54 -46.72 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.656 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.6 tptt -66.88 -31.26 71.75 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 124.019 0.824 . . . . 0.0 110.97 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.17 92.81 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.624 0.77 . . . . 0.0 110.65 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.05 -34.14 72.86 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.99 0.806 . . . . 0.0 111.715 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 19.8 mm-40 -58.98 -53.6 56.53 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.346 0.658 . . . . 0.0 110.089 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 28.1 mt -73.29 -25.07 60.51 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.211 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -64.93 -51.46 61.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.678 0.611 . . . . 0.0 110.875 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 22.6 pttp -75.89 -35.71 59.74 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.718 -173.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.7 pt -85.03 -12.85 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.316 0.247 . . . . 0.0 110.864 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 57.55 57.93 4.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.638 1.175 . . . . 0.0 110.252 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.48 178.74 4.43 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.947 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -62.08 99.09 0.12 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.408 1.083 . . . . 0.0 111.382 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 12' ' ' ARG . 30.8 tp -91.58 125.31 36.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.43 7.52 25.47 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.01 139.76 76.64 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 122.84 0.456 . . . . 0.0 111.329 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.42 136.92 64.59 Favored 'Trans proline' 0 C--N 1.387 2.571 0 C-N-CA 123.925 3.083 . . . . 0.0 113.771 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -102.05 136.58 19.45 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 123.731 0.812 . . . . 0.0 110.202 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 C--N 1.382 2.315 0 C-N-CA 123.452 2.768 . . . . 0.0 112.512 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.627 0.251 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 37.2 ttmt -94.02 103.99 16.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.847 0.859 . . . . 0.0 109.29 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -68.22 -15.74 63.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.835 0.854 . . . . 0.0 112.11 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -43.11 56.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.132 0.573 . . . . 0.0 109.973 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' H ' ' HG2' ' A' ' 2' ' ' LYS . . . -69.32 -34.75 75.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.415 0.686 . . . . 0.0 110.511 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.73 75.54 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.634 0.773 . . . . 0.0 110.466 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.26 -41.58 96.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.603 0.761 . . . . 0.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.1 m80 -68.18 -33.32 74.23 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.994 0.808 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.39 72.96 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.26 -34.59 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.97 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -62.65 -42.56 99.67 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.151 0.98 . . . . 0.0 109.294 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 97.4 mtt180 -68.62 -33.69 74.46 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.793 0.683 . . . . 0.0 111.489 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -71.39 -42.53 68.27 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.609 0.364 . . . . 0.0 111.067 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.54 -39.68 81.02 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.405 0.682 . . . . 0.0 110.331 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.91 -41.42 97.68 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.581 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 8.1 tt0 -60.48 -36.5 78.43 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 124.271 0.982 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.48 -43.75 47.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.961 0.504 . . . . 0.0 111.956 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -80.02 -58.58 3.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.204 0.602 . . . . 0.0 111.696 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.48 -44.94 6.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.361 1.064 . . . . 0.0 110.805 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.74 -111.29 4.21 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.031 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -158.49 8.42 0.14 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.541 0.736 . . . . 0.0 111.824 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.51 -32.6 3.6 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.756 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 2.4 m-20 -55.36 111.1 0.8 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.387 1.075 . . . . 0.0 112.674 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.42 -54.71 19.89 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.141 1.376 . . . . 0.0 112.145 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.27 48.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.532 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.6 t -69.18 140.28 54.63 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -114.95 78.47 1.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 122.194 0.997 . . . . 0.0 110.321 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -162.77 121.07 2.08 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.289 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.02 -15.49 63.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.318 1.047 . . . . 0.0 112.378 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.37 14.63 29.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.936 0.894 . . . . 0.0 111.511 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 41.8 t -128.79 136.27 50.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.251 0.62 . . . . 0.0 110.235 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.04 160.59 31.07 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 123.604 0.761 . . . . 0.0 109.259 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t 67.88 12.54 8.87 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 124.392 1.058 . . . . 0.0 110.857 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 60.4 m -101.35 140.32 21.16 Favored Pre-proline 0 C--N 1.357 0.906 0 C-N-CA 123.594 0.757 . . . . 0.0 109.114 168.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -64.44 -28.99 62.42 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.944 2.43 . . . . 0.0 112.254 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -85.24 -2.42 58.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.076 0.95 . . . . 0.0 112.964 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -78.82 125.63 29.63 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.545 0.338 . . . . 0.0 110.896 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.48 118.76 26.11 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.89 155.93 37.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.281 0.562 . . . . 0.0 110.746 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.04 169.41 17.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.406 -165.207 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -87.14 166.95 14.59 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.119 168.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -64.38 -35.55 81.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.229 0.612 . . . . 0.0 111.519 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -70.91 -41.51 71.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.996 0.518 . . . . 0.0 109.923 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.97 85.04 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.068 0.855 . . . . 0.0 111.006 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -72.63 -35.45 67.8 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.084 0.954 . . . . 0.0 110.873 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.35 69.33 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.164 0.586 . . . . 0.0 110.691 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.38 -51.18 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.824 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptp -60.32 -41.07 92.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.272 0.983 . . . . 0.0 110.531 -173.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.23 99.2 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.449 0.7 . . . . 0.0 111.129 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.9 -36.1 81.5 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.887 0.742 . . . . 0.0 111.466 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 38.9 mm-40 -68.22 -45.06 74.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.71 0.404 . . . . 0.0 110.43 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 86.9 mt -66.42 -28.44 68.62 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.634 0.774 . . . . 0.0 110.887 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -71.87 -49.52 37.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.431 0.693 . . . . 0.0 111.354 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -71.88 -34.05 68.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.036 0.535 . . . . 0.0 111.712 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 51' ' ' GLU . 18.6 pt -84.39 -18.73 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.571 0.349 . . . . 0.0 110.78 176.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 59.97 69.78 0.68 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.538 1.135 . . . . 0.0 109.561 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.95 -170.34 2.97 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.471 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -66.53 96.52 0.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 110.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.2 tp -86.87 105.52 17.11 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.9 t -82.53 87.26 6.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.881 0.872 . . . . 0.0 109.298 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.19 160.42 73.37 Favored Pre-proline 0 C--O 1.25 1.106 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.737 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.37 109.88 2.94 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.163 1.908 . . . . 0.0 110.024 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -116.3 151.56 46.95 Favored Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 124.054 0.941 . . . . 0.0 109.453 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo . . . . . 0 C--N 1.378 2.102 0 C-N-CA 122.981 2.454 . . . . 0.0 112.76 -178.836 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 39.1 ttpt -85.36 79.12 9.59 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.679 0.752 . . . . 0.0 110.156 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -111.11 155.28 23.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.15 60.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.239 0.616 . . . . 0.0 111.289 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.09 71.82 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.903 0.881 . . . . 0.0 112.215 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.84 73.07 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.544 0.528 . . . . 0.0 110.483 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HE3' ' HG3' ' A' ' 2' ' ' LYS . 72.2 mmtt -71.65 -26.88 62.73 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.326 1.05 . . . . 0.0 111.31 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.8 m170 -70.66 -37.7 73.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.992 0.517 . . . . 0.0 110.279 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -35.34 69.43 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.076 0.86 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' HD3' ' A' ' 7' ' ' LYS . 96.6 mt -64.38 -40.58 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.865 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -66.39 -30.49 70.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.908 0.883 . . . . 0.0 110.367 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.6 mmp_? -63.4 -48.89 75.96 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -74.6 -32.57 62.4 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.796 0.685 . . . . 0.0 112.46 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -73.65 -48.79 29.72 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.674 0.39 . . . . 0.0 110.136 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -68.25 -23.9 64.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.201 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.08 -36.31 82.85 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.534 0.734 . . . . 0.0 110.57 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.82 -25.31 32.8 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -85.92 -54.65 4.37 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -120.66 -26.9 5.2 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.177 0.591 . . . . 0.0 111.855 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.97 -110.98 3.95 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 173.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.431 ' SG ' ' ND2' ' A' ' 23' ' ' ASN . 21.3 p -137.62 12.13 2.95 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.498 1.119 . . . . 0.0 109.092 170.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.38 -56.67 5.03 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 122.829 0.252 . . . . 0.0 113.265 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.431 ' ND2' ' SG ' ' A' ' 21' ' ' CYS . 3.5 p30 -60.35 128.44 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.964 0.906 . . . . 0.0 111.726 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' SER . 14.0 pt-20 -78.89 -20.13 50.22 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.62 72.25 7.54 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 170.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 38.6 t -144.95 116.13 7.93 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.663 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -75.44 -19.88 59.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.122 0.969 . . . . 0.0 112.592 -176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -67.38 110.23 3.49 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.264 0.626 . . . . 0.0 110.316 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -13.4 60.08 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.344 1.058 . . . . 0.0 112.536 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -91.35 19.67 5.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.924 0.89 . . . . 0.0 110.48 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.9 122.42 28.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.257 1.023 . . . . 0.0 108.432 -174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 158.98 26.44 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.006 0.922 . . . . 0.0 111.064 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 43.8 m 70.58 2.74 4.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.033 1.333 . . . . 0.0 111.971 -170.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 66.5 m -88.23 141.79 31.19 Favored Pre-proline 0 C--N 1.356 0.883 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 169.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.81 -5.64 17.56 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.049 2.499 . . . . 0.0 113.355 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -99.34 -15.95 18.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.071 0.948 . . . . 0.0 112.227 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -75.37 140.15 42.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.393 0.677 . . . . 0.0 110.835 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt -111.87 142.9 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.42 0.688 . . . . 0.0 109.67 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -63.64 151.29 42.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.924 0.889 . . . . 0.0 111.989 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.7 ptp -141.28 156.37 45.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.299 0.64 . . . . 0.0 109.778 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.5 162.66 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.229 1.012 . . . . 0.0 110.03 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -51.26 -49.77 60.51 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.633 1.173 . . . . 0.0 111.566 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -72.28 -37.91 68.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.179 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.18 75.2 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.037 0.535 . . . . 0.0 111.14 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.25 63.11 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.994 0.918 . . . . 0.0 110.493 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.42 92.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.231 0.612 . . . . 0.0 110.854 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -64.61 -54.34 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.023 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 55.9 tptt -63.68 -29.26 70.51 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.916 0.76 . . . . 0.0 111.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.54 77.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.513 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.69 -28.76 67.14 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.542 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.92 -49.88 64.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.901 0.481 . . . . 0.0 110.259 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 93.9 mt -66.54 -26.42 67.14 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.617 0.767 . . . . 0.0 111.032 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.85 -49.88 27.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 0.0 111.231 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.76 -37.7 76.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.92 0.488 . . . . 0.0 111.399 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.47 -18.29 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 122.943 0.497 . . . . 0.0 110.948 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 58.65 69.73 0.71 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 124.553 1.141 . . . . 0.0 109.661 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.43 -175.23 3.67 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.258 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -64.67 95.77 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.128 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 12' ' ' ARG . 34.7 tp -83.62 121.0 26.66 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.813 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.21 125.98 32.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.415 0.686 . . . . 0.0 110.967 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.17 149.3 87.04 Favored Pre-proline 0 C--O 1.246 0.896 0 C-N-CA 123.538 0.735 . . . . 0.0 111.074 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.42 140.06 85.76 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.806 2.337 . . . . 0.0 111.161 165.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -73.84 120.02 79.09 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 122.45 0.3 . . . . 0.0 110.308 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--N 1.376 2.007 0 C-N-CA 122.967 2.445 . . . . 0.0 111.078 173.312 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -151.52 141.29 21.87 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.37 -31.64 72.01 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.488 0.715 . . . . 0.0 111.357 -169.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.75 72.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.329 0.651 . . . . 0.0 110.437 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.99 70.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.378 0.671 . . . . 0.0 111.534 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.21 67.28 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.635 0.774 . . . . 0.0 109.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -56.73 -52.36 65.28 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.54 1.15 . . . . 0.0 110.74 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 m-70 -57.83 -46.15 85.14 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.207 0.942 . . . . 0.0 111.323 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.54 -38.96 81.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.787 0.68 . . . . 0.0 112.096 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.12 -39.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -65.36 -35.49 81.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.932 0.893 . . . . 0.0 111.692 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.6 mmp_? -66.55 -47.32 73.22 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.726 0.81 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -74.02 -33.55 63.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 0.0 111.677 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.72 -47.29 66.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.012 0.525 . . . . 0.0 110.012 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.48 -33.59 76.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.836 0.854 . . . . 0.0 110.192 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -57.77 -46.63 84.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.347 1.029 . . . . 0.0 110.491 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.1 mt -74.05 -51.19 16.57 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.155 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.0 p -73.19 -66.69 0.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.486 0.715 . . . . 0.0 111.556 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -83.1 -38.09 22.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.36 0.664 . . . . 0.0 110.687 -171.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.6 -135.69 12.59 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.074 0.859 . . . . 0.0 111.933 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -149.15 -2.38 0.45 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.54 -35.28 3.04 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.806 -0.441 . . . . 0.0 113.702 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.76 122.61 12.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.946 1.298 . . . . 0.0 111.949 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.58 -45.24 65.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.359 1.064 . . . . 0.0 111.783 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.71 1.23 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.757 0.789 . . . . 0.0 109.986 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.3 t -75.75 113.45 13.22 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.957 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.1 p -86.17 42.19 0.97 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.118 0.967 . . . . 0.0 111.922 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -141.31 106.66 5.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -23.39 64.32 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.999 0.92 . . . . 0.0 112.548 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -88.23 39.14 0.89 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.803 0.841 . . . . 0.0 110.623 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -147.26 133.44 19.4 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.249 0.62 . . . . 0.0 109.438 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.12 156.11 38.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.27 0.628 . . . . 0.0 110.712 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 m 73.44 4.13 4.74 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.281 1.432 . . . . 0.0 112.222 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 75.5 m -92.91 134.35 27.56 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 166.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.77 -14.62 42.23 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.955 2.437 . . . . 0.0 112.508 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -80.05 -23.34 41.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.629 1.172 . . . . 0.0 111.495 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -89.36 118.77 29.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.345 0.658 . . . . 0.0 110.072 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -89.35 138.04 31.79 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -71.13 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.171 0.51 . . . . 0.0 111.561 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -173.32 4.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.0 -168.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.11 164.3 13.12 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.718 0.807 . . . . 0.0 110.665 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.44 -33.72 71.63 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.175 0.99 . . . . 0.0 112.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 47' ' ' ILE . 90.4 m-20 -69.98 -47.21 63.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.289 0.635 . . . . 0.0 110.299 177.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.93 73.29 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.79 0.836 . . . . 0.0 111.403 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.27 87.02 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.878 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.09 87.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.428 0.691 . . . . 0.0 111.572 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' ASN . 50.9 mm -63.79 -55.96 19.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.219 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.72 -24.78 65.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.919 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.46 79.27 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.955 0.502 . . . . 0.0 110.104 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.92 -33.54 73.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.315 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 28.4 mm-40 -64.07 -48.81 74.75 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.424 0.452 . . . . 0.0 110.893 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.83 -29.55 69.5 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.553 0.741 . . . . 0.0 111.287 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -68.91 -51.94 34.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.162 0.585 . . . . 0.0 110.869 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.85 -29.92 66.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.361 0.664 . . . . 0.0 111.953 -171.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.9 pt -88.98 -9.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.989 0.516 . . . . 0.0 111.227 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 63.06 47.6 4.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.568 1.147 . . . . 0.0 109.979 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.63 168.84 10.42 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.345 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -58.44 105.43 0.29 Allowed 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.563 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.9 tp -83.93 140.44 31.94 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.834 175.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.4 t -93.46 102.75 14.98 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.239 0.615 . . . . 0.0 109.84 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -113.22 132.07 22.59 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 109.46 0.57 Allowed 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 123.2 2.6 . . . . 0.0 112.17 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -73.02 138.97 79.34 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 123.987 0.915 . . . . 0.0 111.115 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.38 2.21 0 C-N-CA 122.766 2.31 . . . . 0.0 112.345 -178.132 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -70.33 96.66 1.15 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.25 0.62 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -78.63 155.07 29.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.728 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.9 83.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.802 0.441 . . . . 0.0 110.195 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.29 83.91 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.989 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.95 79.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.438 0.695 . . . . 0.0 111.155 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.89 -46.34 85.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.629 0.772 . . . . 0.0 110.775 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.586 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.4 m-70 -68.4 -34.1 75.43 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.536 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -45.41 73.58 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.496 0.718 . . . . 0.0 110.293 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.08 -34.54 57.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.103 0.961 . . . . 0.0 110.095 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.42 -38.73 81.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.077 0.951 . . . . 0.0 111.218 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 94.9 mtt180 -69.79 -45.18 68.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.242 0.617 . . . . 0.0 110.125 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -61.27 -39.73 91.49 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.536 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.89 -48.96 78.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.273 0.629 . . . . 0.0 110.314 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -65.1 -22.62 66.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.216 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -73.3 -42.66 62.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.902 0.481 . . . . 0.0 111.602 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD21 HD12 ' A' ' 52' ' ' LEU . 3.4 mm? -78.86 -29.79 44.76 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.263 0.483 . . . . 0.0 112.094 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -84.19 -60.94 1.94 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.49 -40.38 9.91 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.637 0.775 . . . . 0.0 111.209 -172.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -120.75 6.89 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.029 -174.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -158.43 14.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.242 0.617 . . . . 0.0 110.865 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.11 -57.84 4.97 Favored Glycine 0 C--N 1.346 1.112 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -174.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.33 108.69 0.4 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.672 1.189 . . . . 0.0 111.569 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -35.92 46.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.565 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.97 56.03 2.98 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.134 0.968 . . . . 0.0 109.365 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.537 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.2 t -100.64 137.37 39.14 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.619 -173.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -84.4 52.31 2.32 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.658 0.742 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -159.89 113.76 2.23 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.295 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.63 -24.84 61.11 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.545 0.738 . . . . 0.0 110.945 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 52' ' ' LEU . 64.5 m-85 -88.49 49.9 1.87 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 0.0 109.247 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.84 129.74 15.28 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.221 1.009 . . . . 0.0 108.754 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.54 160.78 31.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.863 0.465 . . . . 0.0 110.888 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 t 69.45 2.62 3.81 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.668 1.187 . . . . 0.0 111.594 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 45.9 m -95.46 144.24 27.48 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.12 0.568 . . . . 0.0 109.553 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.95 -22.76 35.4 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.879 2.386 . . . . 0.0 112.354 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -84.07 -6.84 59.48 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.339 1.056 . . . . 0.0 112.091 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -86.34 156.74 20.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.211 1.004 . . . . 0.0 110.434 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.24 123.34 40.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 169.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -59.36 154.51 16.63 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.036 0.934 . . . . 0.0 112.215 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.2 ptp -155.29 172.41 18.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.88 0.872 . . . . 0.0 109.602 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.18 159.32 33.21 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.071 0.549 . . . . 0.0 109.767 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -68.77 -24.56 64.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.74 0.416 . . . . 0.0 110.489 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -73.9 -40.09 63.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.521 0.728 . . . . 0.0 110.373 175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.29 69.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.274 0.63 . . . . 0.0 110.593 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.52 -28.79 63.08 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.28 1.032 . . . . 0.0 110.647 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.31 -43.77 66.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.328 0.651 . . . . 0.0 110.85 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.41 -45.69 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.224 0.61 . . . . 0.0 110.169 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB3' ' HG ' ' A' ' 17' ' ' LEU . 18.8 tptm -70.86 -27.92 64.19 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.676 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.39 94.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.462 0.705 . . . . 0.0 110.575 171.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.79 -30.71 69.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.822 0.701 . . . . 0.0 111.904 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.56 -48.79 71.2 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.936 0.398 . . . . 0.0 110.347 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 30' ' ' PHE . 63.1 mt -69.22 -27.78 65.77 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.92 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.26 -48.23 62.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.184 0.594 . . . . 0.0 110.942 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -35.23 75.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.802 0.441 . . . . 0.0 111.502 -174.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -84.24 -16.37 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 122.823 0.449 . . . . 0.0 111.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.77 68.25 0.87 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.723 1.209 . . . . 0.0 109.732 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.98 -170.78 3.26 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.874 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -59.8 102.35 0.15 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.17 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.57 127.85 45.66 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 170.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.39 76.49 7.21 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.988 0.899 . . . . 0.0 109.427 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 32.7 t70 -119.57 137.83 25.95 Favored Pre-proline 0 C--O 1.241 0.636 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.675 -173.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 13.4 Cg_exo -71.2 108.52 2.36 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.083 1.855 . . . . 0.0 110.449 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -110.51 100.76 46.41 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.601 0.761 . . . . 0.0 109.791 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 C--N 1.373 1.847 0 C-N-CA 122.766 2.31 . . . . 0.0 111.64 172.787 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.567 -0.161 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -77.96 88.71 4.12 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 174.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -74.6 168.38 19.9 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.156 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -50.42 69.86 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.423 0.689 . . . . 0.0 110.847 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.79 71.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.019 0.928 . . . . 0.0 112.179 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.68 92.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.28 0.632 . . . . 0.0 110.395 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 10' ' ' ILE . 37.1 ttpt -75.87 -27.51 57.79 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.909 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.3 m170 -66.0 -35.37 80.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.961 0.504 . . . . 0.0 110.339 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -38.95 64.41 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.967 0.907 . . . . 0.0 110.358 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 7' ' ' LYS . 98.0 mt -57.34 -43.01 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.875 0.734 . . . . 0.0 109.507 168.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.77 -29.03 65.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.155 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 11.2 mmt180 -66.47 -43.57 85.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.356 0.662 . . . . 0.0 110.165 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -70.13 -41.72 73.53 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.871 0.732 . . . . 0.0 111.135 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -59.44 -45.26 92.07 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.315 0.646 . . . . 0.0 110.422 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -67.88 -27.04 66.32 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.282 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 29.0 tt0 -75.01 -38.4 61.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.932 0.493 . . . . 0.0 110.918 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 52' ' ' LEU . 2.3 mm? -75.15 -24.97 58.02 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 118.258 0.481 . . . . 0.0 111.749 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.6 p -93.28 -57.43 2.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.516 0.327 . . . . 0.0 111.116 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -91.05 -62.17 1.51 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.598 0.759 . . . . 0.0 110.205 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.25 -115.44 2.76 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.594 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -156.81 -0.93 0.12 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.83 -34.13 3.0 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.693 -0.504 . . . . 0.0 114.148 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.71 128.56 37.79 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.801 0.84 . . . . 0.0 110.743 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.54 -71.68 0.13 Allowed 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.345 1.028 . . . . 0.0 111.166 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.92 82.96 7.37 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.381 0.61 . . . . 0.0 109.667 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.5 t -110.16 108.16 18.22 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.382 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -90.1 61.67 5.26 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.218 1.008 . . . . 0.0 110.343 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -139.03 108.47 6.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.648 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -21.2 65.64 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.841 1.256 . . . . 0.0 112.153 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -88.0 24.89 1.69 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.117 0.967 . . . . 0.0 111.303 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -147.92 138.48 23.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.229 0.611 . . . . 0.0 110.05 -171.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.09 156.94 24.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.463 0.705 . . . . 0.0 110.644 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 t 69.31 4.75 4.76 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.887 1.275 . . . . 0.0 111.629 -174.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.0 m -88.59 150.26 45.9 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 123.6 0.76 . . . . 0.0 110.125 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.77 -32.69 56.01 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.845 2.364 . . . . 0.0 112.541 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -88.57 4.42 46.95 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.281 1.032 . . . . 0.0 112.607 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -95.01 126.88 40.66 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 110.98 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.47 140.12 31.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 165.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.02 152.89 43.09 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.764 0.792 . . . . 0.0 111.407 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 ptm -154.71 147.3 24.18 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.647 -169.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.75 178.2 7.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.038 0.535 . . . . 0.0 111.229 -174.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -65.82 -32.94 74.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.571 0.749 . . . . 0.0 112.765 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.69 -45.69 61.08 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.837 0.455 . . . . 0.0 110.265 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.92 89.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.468 0.48 . . . . 0.0 110.71 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.64 73.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.977 0.911 . . . . 0.0 111.146 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.05 42.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.524 0.73 . . . . 0.0 111.195 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.2 mm -61.27 -46.24 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.711 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HE2' HD21 ' A' ' 52' ' ' LEU . 20.3 tptm -65.18 -31.86 73.26 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.84 0.712 . . . . 0.0 110.748 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.238 0.615 . . . . 0.0 111.008 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.89 -42.07 81.78 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 124.115 0.884 . . . . 0.0 111.488 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 30.2 mm-40 -62.61 -48.17 80.58 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.046 0.538 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 17' ' ' LEU . 86.2 mt -71.74 -26.63 62.54 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.431 -177.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -67.96 -51.45 47.29 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 123.436 0.46 . . . . 0.0 110.045 175.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -72.25 -30.3 64.74 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 122.671 0.388 . . . . 0.0 111.631 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.5 pt -87.45 -13.77 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 122.676 0.39 . . . . 0.0 110.847 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.81 64.52 1.28 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.592 1.157 . . . . 0.0 110.439 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -174.89 4.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.188 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -65.74 106.48 1.51 Allowed 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.709 0.804 . . . . 0.0 110.6 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.7 133.07 53.54 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.854 0.862 . . . . 0.0 108.847 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.9 m -99.24 -36.04 9.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.529 0.731 . . . . 0.0 110.363 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 71.49 147.53 0.12 Allowed Pre-proline 0 N--CA 1.486 1.358 0 O-C-N 125.012 1.445 . . . . 0.0 111.217 -166.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -63.64 138.58 65.13 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.698 2.266 . . . . 0.0 112.003 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -71.83 142.33 85.56 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--N 1.371 1.713 0 C-N-CA 123.238 2.625 . . . . 0.0 112.7 171.033 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.02 94.52 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -81.52 -166.02 1.09 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.694 0.798 . . . . 0.0 110.648 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 123.481 0.712 . . . . 0.0 111.433 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.58 90.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.502 0.721 . . . . 0.0 111.696 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.5 64.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.904 0.882 . . . . 0.0 111.707 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -73.69 -29.95 62.59 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.478 0.711 . . . . 0.0 110.264 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.552 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 22.1 m170 -72.37 -32.62 66.6 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.389 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -46.32 86.87 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.01 -38.93 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.157 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.17 -32.08 73.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.243 1.017 . . . . 0.0 111.105 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 9.1 mmm180 -68.87 -46.25 68.93 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -64.35 -37.73 88.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.812 0.695 . . . . 0.0 111.308 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -66.73 -49.13 67.02 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.587 0.755 . . . . 0.0 109.795 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -59.44 -37.55 78.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.288 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.44 -41.99 92.89 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.659 0.784 . . . . 0.0 110.221 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.67 -50.24 16.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.506 0.722 . . . . 0.0 111.501 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.0 p -74.71 -60.81 2.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.732 0.413 . . . . 0.0 111.266 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -83.72 -49.32 9.24 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.514 0.725 . . . . 0.0 110.927 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 -121.75 7.18 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.589 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 12.0 p -156.45 0.12 0.13 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.46 -34.49 3.29 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.435 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.3 t-20 -56.02 115.28 2.33 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.266 1.026 . . . . 0.0 111.918 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.66 -45.15 79.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.441 1.096 . . . . 0.0 111.495 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.09 45.17 1.07 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.77 0.828 . . . . 0.0 109.83 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 54.0 t -77.36 131.33 38.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.127 -175.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.9 p -87.51 -35.62 18.08 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.257 1.023 . . . . 0.0 112.691 -173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -65.32 114.78 5.0 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.327 1.051 . . . . 0.0 111.526 -170.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -22.15 66.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.51 0.724 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.8 26.9 1.42 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.859 0.863 . . . . 0.0 111.251 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 t -142.07 139.77 32.37 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.784 0.434 . . . . 0.0 109.996 -172.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.88 159.44 32.83 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.314 0.645 . . . . 0.0 110.064 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 t 71.18 11.1 6.85 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.076 1.351 . . . . 0.0 111.043 -170.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 50.0 m -101.98 137.44 19.5 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 123.723 0.809 . . . . 0.0 108.865 167.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 -26.62 27.78 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.825 2.35 . . . . 0.0 112.229 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 p -83.89 -13.2 54.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.125 0.97 . . . . 0.0 111.924 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.51 136.16 44.08 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.823 0.344 . . . . 0.0 110.289 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -101.01 124.13 46.26 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.4 0.68 . . . . 0.0 109.187 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -70.16 90.53 0.67 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.074 0.95 . . . . 0.0 111.709 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptp -78.82 158.71 28.11 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.089 170.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.56 171.26 14.94 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.774 0.43 . . . . 0.0 110.304 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -61.6 -35.43 77.84 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.311 0.644 . . . . 0.0 112.162 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -73.57 -38.43 65.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.767 0.427 . . . . 0.0 110.248 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.33 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.202 0.601 . . . . 0.0 110.393 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.59 -26.27 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.84 0.856 . . . . 0.0 111.146 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.58 61.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.26 0.624 . . . . 0.0 110.64 174.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.26 -44.58 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.916 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -73.46 -23.85 60.14 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.847 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.27 92.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.0 110.509 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.53 -40.06 85.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.351 0.661 . . . . 0.0 111.243 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.69 -46.19 83.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.189 0.596 . . . . 0.0 111.299 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.38 -30.61 69.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.645 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.05 -53.83 43.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.148 0.579 . . . . 0.0 110.629 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -68.56 -29.33 67.86 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 pt -87.54 -6.4 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 55.59 60.46 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.237 1.015 . . . . 0.0 110.235 -173.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.3 165.3 24.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.153 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.77 112.52 2.57 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.598 174.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 59' ' ' LEU . 14.0 mt -84.1 150.92 25.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.651 168.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.5 t -106.33 28.23 7.95 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.269 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -164.5 153.04 11.09 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.71 -168.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -62.28 141.63 88.38 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.721 2.281 . . . . 0.0 112.216 169.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -67.65 141.59 95.3 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 123.807 0.843 . . . . 0.0 111.19 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 CA--C 1.565 2.027 0 C-N-CA 123.215 2.61 . . . . 0.0 111.961 -178.036 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -85.54 75.08 10.2 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-O 121.879 0.847 . . . . 0.0 111.06 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.63 163.04 35.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.038 1.335 . . . . 0.0 107.615 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.61 -60.46 3.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.99 0.516 . . . . 0.0 110.222 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.1 84.64 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.496 0.718 . . . . 0.0 111.279 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.97 86.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.245 1.018 . . . . 0.0 111.74 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.61 -50.62 71.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.124 0.89 . . . . 0.0 110.182 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 13.7 m80 -57.21 -39.21 74.97 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.201 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.32 -33.62 76.26 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.403 1.065 . . . . 0.0 111.785 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 1' ' ' MET . 73.8 mt -64.79 -45.4 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 174.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.47 -27.52 68.56 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 123.67 0.606 . . . . 0.0 111.75 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.9 mmp_? -67.9 -55.34 13.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.989 0.515 . . . . 0.0 110.616 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -66.76 -34.64 78.29 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.8 0.688 . . . . 0.0 111.514 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.21 -52.73 62.62 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.343 0.657 . . . . 0.0 110.657 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -66.62 -24.34 66.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.71 0.804 . . . . 0.0 110.324 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -70.15 -40.58 74.66 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.075 0.95 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.82 -39.0 31.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -81.8 -59.44 2.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.093 0.557 . . . . 0.0 110.996 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -92.32 -42.63 9.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.333 0.653 . . . . 0.0 110.273 -171.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.81 -154.11 21.13 Favored Glycine 0 C--N 1.341 0.827 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.142 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -123.75 3.45 8.85 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.303 0.641 . . . . 0.0 111.76 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -50.0 4.33 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 122.913 0.292 . . . . 0.0 113.086 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -52.54 111.58 0.67 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.401 1.481 . . . . 0.0 111.843 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.6 -30.64 63.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.557 0.743 . . . . 0.0 111.401 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.73 1.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.9 0.88 . . . . 0.0 110.47 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 30.4 t -85.47 128.68 34.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.475 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -88.22 24.52 1.85 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.213 0.605 . . . . 0.0 112.079 -174.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.03 112.34 15.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.582 0.753 . . . . 0.0 109.395 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.14 -25.26 63.38 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.432 0.693 . . . . 0.0 112.103 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -89.63 45.93 1.32 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.447 1.099 . . . . 0.0 110.072 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.31 131.6 10.29 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.005 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 163.47 20.88 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 166.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m 75.86 2.81 3.74 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.092 1.357 . . . . 0.0 110.901 -165.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 61.9 m -107.48 130.42 22.85 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 123.364 0.666 . . . . 0.0 109.362 174.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.55 -30.84 93.43 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.196 2.597 . . . . 0.0 112.386 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -78.28 -3.36 42.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.464 0.706 . . . . 0.0 112.786 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -88.11 123.54 32.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.812 0.445 . . . . 0.0 110.638 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -84.15 121.11 27.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.82 122.63 16.92 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.743 0.417 . . . . 0.0 110.894 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 ptp -110.4 161.64 15.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.336 1.054 . . . . 0.0 109.869 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.96 165.64 19.62 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.424 0.69 . . . . 0.0 110.231 172.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.66 -31.97 72.33 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.158 0.583 . . . . 0.0 110.538 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.88 -48.03 82.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.303 0.641 . . . . 0.0 110.457 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.8 71.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.632 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -23.96 47.19 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.068 0.947 . . . . 0.0 111.118 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.61 52.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.21 0.604 . . . . 0.0 109.927 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.84 -50.04 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -67.93 -24.21 65.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.948 0.499 . . . . 0.0 110.235 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.34 -32.42 71.5 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.106 0.879 . . . . 0.0 111.597 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.98 -49.94 66.06 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.832 0.453 . . . . 0.0 110.361 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.52 -30.08 69.65 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.549 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.2 -50.6 45.97 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.006 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.07 -30.82 69.22 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.904 0.482 . . . . 0.0 111.309 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -85.41 -15.84 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.757 0.423 . . . . 0.0 111.115 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 59.55 66.06 1.06 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.646 1.179 . . . . 0.0 110.024 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.35 -175.58 4.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 114.908 -1.042 . . . . 0.0 112.055 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.01 129.14 38.92 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.525 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 12' ' ' ARG . 52.2 tp -121.04 145.31 47.91 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.222 0.609 . . . . 0.0 109.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.89 111.91 24.26 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -131.72 155.52 81.31 Favored Pre-proline 0 N--CA 1.475 0.823 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -65.68 121.23 8.56 Favored 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.23 1.953 . . . . 0.0 110.344 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.74 89.16 7.34 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.75 0.82 . . . . 0.0 109.006 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo . . . . . 0 C--N 1.377 2.077 0 C-N-CA 122.531 2.154 . . . . 0.0 111.66 177.348 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.664 0.268 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.52 -6.48 53.75 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.765 0.826 . . . . 0.0 111.332 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.98 -46.57 87.05 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.54 86.62 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.116 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.88 82.56 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.695 0.798 . . . . 0.0 111.807 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.41 70.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.078 0.951 . . . . 0.0 109.746 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.52 -37.38 80.97 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.575 1.172 . . . . 0.0 110.831 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 26.8 m170 -70.19 -39.16 75.37 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.904 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.4 -40.81 77.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.351 0.66 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.87 -40.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.626 0.77 . . . . 0.0 109.339 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.46 -40.56 95.93 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.055 0.942 . . . . 0.0 109.879 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.2 mmp_? -64.88 -46.19 82.84 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.393 0.677 . . . . 0.0 111.543 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -71.6 -37.37 70.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.681 0.613 . . . . 0.0 110.887 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -66.54 -39.95 88.83 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.611 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.78 -36.39 84.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.906 1.283 . . . . 0.0 109.188 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.19 -44.33 84.24 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.745 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.3 mm? -68.7 -39.09 80.67 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.997 0.519 . . . . 0.0 112.014 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -85.26 -58.06 2.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.143 0.497 . . . . 0.0 111.652 -172.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.53 -61.64 1.6 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.632 0.773 . . . . 0.0 110.522 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.34 -114.92 4.11 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -158.92 1.06 0.09 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.32 -52.08 4.28 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 122.816 0.246 . . . . 0.0 113.601 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -60.18 110.15 1.15 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.172 0.989 . . . . 0.0 111.856 -173.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -38.99 59.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.018 1.327 . . . . 0.0 112.795 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.01 68.66 9.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.785 0.803 . . . . 0.0 109.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.6 t -133.38 107.44 8.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.7 p -92.87 70.46 4.69 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.258 1.027 . . . . 0.0 109.372 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -141.03 106.7 5.1 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.255 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.572 1.149 . . . . 0.0 112.48 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -86.35 -2.97 58.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.81 0.844 . . . . 0.0 111.862 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 16.6 t -110.86 130.51 55.56 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.382 1.073 . . . . 0.0 109.262 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -74.03 153.33 39.72 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.394 0.678 . . . . 0.0 111.398 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m 71.74 3.44 4.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.349 1.459 . . . . 0.0 112.353 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 64.0 m -85.08 148.17 49.77 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -60.92 -35.77 86.51 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.755 2.303 . . . . 0.0 111.961 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -75.96 -11.36 59.95 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.067 0.947 . . . . 0.0 112.72 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -85.69 137.48 32.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.403 0.681 . . . . 0.0 110.24 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -114.88 148.89 38.0 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.59 126.45 29.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.914 0.886 . . . . 0.0 110.88 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.504 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -106.53 172.18 6.95 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.784 1.233 . . . . 0.0 110.854 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -89.54 165.74 14.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 168.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -64.46 -37.28 86.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.147 0.579 . . . . 0.0 111.346 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.71 -48.86 78.83 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.83 71.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.643 0.777 . . . . 0.0 111.865 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -69.45 -42.16 75.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 0.0 110.895 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 -46.2 70.42 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.85 0.719 . . . . 0.0 111.462 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.9 mm -60.77 -49.24 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.705 0.628 . . . . 0.0 109.559 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 tptm -62.53 -38.02 88.36 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.807 0.692 . . . . 0.0 110.947 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.31 86.87 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.542 0.737 . . . . 0.0 111.057 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.34 -30.51 60.28 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 35.9 mm-40 -61.86 -48.47 80.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.18 0.592 . . . . 0.0 109.803 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 61.5 mt -73.63 -31.3 63.46 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.235 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.28 -47.51 82.06 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.931 0.769 . . . . 0.0 111.038 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 51' ' ' GLU . 64.5 pttt -75.02 -33.73 61.83 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.144 0.278 . . . . 0.0 111.349 -173.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 pt -87.84 -14.58 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 122.709 0.404 . . . . 0.0 111.513 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 58.79 64.5 1.42 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.54 1.136 . . . . 0.0 110.187 -175.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.69 178.07 7.62 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.38 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -57.83 95.66 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.201 1.001 . . . . 0.0 110.413 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 12' ' ' ARG . 55.9 tp -87.45 124.85 33.87 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.496 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.9 t -78.63 102.27 7.9 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 123.955 0.785 . . . . 0.0 109.721 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -67.67 146.08 98.37 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 123.424 0.689 . . . . 0.0 110.977 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 118.15 4.77 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.569 2.179 . . . . 0.0 111.872 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -93.59 108.01 30.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo . . . . . 0 C--N 1.376 2.015 0 C-N-CA 122.809 2.339 . . . . 0.0 111.906 176.153 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 88.93 7.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.201 0.524 . . . . 0.0 110.483 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -94.67 -171.92 2.6 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.229 1.011 . . . . 0.0 109.919 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.21 -59.4 2.37 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.619 1.168 . . . . 0.0 113.816 -169.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.74 83.09 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.718 0.807 . . . . 0.0 112.28 -176.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . . . -70.53 -36.94 74.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.876 0.871 . . . . 0.0 111.256 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -70.91 -40.19 72.28 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.045 0.938 . . . . 0.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -61.93 -35.04 77.22 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.8 0.688 . . . . 0.0 110.595 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.42 -37.54 71.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.087 0.867 . . . . 0.0 111.066 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' ALA . 84.7 mt -64.16 -40.01 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.11 85.72 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.078 0.951 . . . . 0.0 110.925 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HE ' ' HA ' ' A' ' 12' ' ' ARG . 4.1 mmp_? -60.36 -50.59 73.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.324 0.649 . . . . 0.0 110.116 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -69.96 -41.39 74.57 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.146 0.904 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.49 -52.64 64.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.242 0.544 . . . . 0.0 110.74 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 51.9 m80 -72.7 -19.29 61.43 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -66.62 -42.82 86.22 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 122.456 0.302 . . . . 0.0 110.772 167.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 52' ' ' LEU . 2.6 mm? -79.13 -25.93 42.88 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 119.047 -0.501 . . . . 0.0 112.23 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 15' ' ' HIS . 80.6 p -93.17 -57.52 2.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.256 0.48 . . . . 0.0 111.424 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.57 -44.56 10.01 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.338 0.655 . . . . 0.0 110.124 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . 93.16 -108.93 3.73 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.208 -172.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -154.35 1.3 0.21 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.873 0.869 . . . . 0.0 111.593 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.25 -40.5 2.37 Favored Glycine 0 C--N 1.356 1.663 0 CA-C-O 120.003 -0.332 . . . . 0.0 113.688 -174.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -52.6 113.93 1.23 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.126 1.37 . . . . 0.0 111.626 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.18 -36.76 74.86 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 124.027 0.829 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.31 46.78 1.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.812 0.845 . . . . 0.0 110.174 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 39.7 t -75.41 162.65 28.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.484 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -137.88 72.34 1.41 Allowed 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 122.102 0.953 . . . . 0.0 110.787 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -164.05 124.49 2.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.004 0.922 . . . . 0.0 108.67 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -67.85 -35.2 78.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.368 0.667 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -90.29 77.55 6.63 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.7 t -168.31 125.26 1.06 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.578 0.351 . . . . 0.0 110.112 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -70.67 161.16 31.27 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.318 0.647 . . . . 0.0 110.102 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 m 64.56 14.1 8.71 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 123.596 0.758 . . . . 0.0 111.379 -174.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 23.1 m -115.81 141.13 27.04 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 123.732 0.813 . . . . 0.0 109.248 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -19.01 46.43 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.013 2.475 . . . . 0.0 112.711 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.7 p -75.95 -7.54 54.82 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.97 0.908 . . . . 0.0 112.026 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HZ ' ' HG2' ' A' ' 40' ' ' MET . 82.6 t80 -123.62 129.27 50.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.484 0.714 . . . . 0.0 110.666 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.11 132.81 35.81 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 170.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 30.2 mmt180 -56.96 146.1 28.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.09 0.956 . . . . 0.0 113.251 -172.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.422 ' HG2' ' HZ ' ' A' ' 37' ' ' PHE . 19.9 ptp -132.56 154.65 49.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.94 171.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.15 167.37 20.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.887 0.475 . . . . 0.0 110.476 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -68.49 -26.16 65.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.377 0.671 . . . . 0.0 112.502 -171.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -72.12 -46.07 58.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.196 0.599 . . . . 0.0 109.66 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.59 74.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.46 61.49 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.413 1.085 . . . . 0.0 111.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.49 68.73 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.344 0.658 . . . . 0.0 110.68 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.3 mm -60.43 -52.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.244 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 52' ' ' LEU . 49.2 tptt -63.34 -26.71 68.88 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.112 0.882 . . . . 0.0 111.201 -176.632 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.59 64.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.465 0.706 . . . . 0.0 110.488 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 -28.45 63.6 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.882 0.739 . . . . 0.0 112.034 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 26.6 mm-40 -64.79 -52.27 57.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 HD21 ' A' ' 17' ' ' LEU . 89.0 mt -70.21 -26.19 63.75 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.802 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -69.09 -49.9 53.08 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.348 0.405 . . . . 0.0 110.92 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -74.54 -32.39 62.43 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.7 pt -81.18 -14.28 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.282 0.233 . . . . 0.0 110.647 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 56.69 63.09 2.05 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.754 1.221 . . . . 0.0 110.145 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.91 169.07 18.91 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.365 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -61.22 122.82 16.03 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.64 0.733 . . . . 0.0 110.86 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.0 tp -102.2 149.1 24.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.968 0.907 . . . . 0.0 109.009 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.1 t -106.19 41.62 1.39 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.616 0.722 . . . . 0.0 110.114 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -78.52 161.85 68.11 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 124.609 1.164 . . . . 0.0 110.787 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.62 123.8 14.72 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 123.127 2.552 . . . . 0.0 112.744 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.04 119.06 75.94 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.539 0.736 . . . . 0.0 110.388 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--N 1.375 1.953 0 C-N-CA 123.025 2.483 . . . . 0.0 111.741 178.084 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HG2' ' H ' ' A' ' 3' ' ' ARG . 52.5 ttm . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.73 -2.21 48.33 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.705 0.802 . . . . 0.0 112.82 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.482 ' H ' ' HG2' ' A' ' 1' ' ' MET . 27.6 tpt180 -65.53 -38.58 90.07 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.06 67.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.74 74.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.257 1.023 . . . . 0.0 111.322 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.07 62.24 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.284 1.034 . . . . 0.0 110.123 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.26 -41.69 97.36 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.208 0.942 . . . . 0.0 111.398 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 39.8 m170 -65.97 -42.4 89.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.785 0.678 . . . . 0.0 110.238 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.35 -45.62 90.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.848 0.859 . . . . 0.0 110.765 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.04 -41.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.714 0.805 . . . . 0.0 109.996 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.08 -32.36 71.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.947 0.899 . . . . 0.0 110.825 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 6.3 mmt180 -72.03 -44.17 63.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.247 0.619 . . . . 0.0 109.769 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -65.98 -34.25 77.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -69.97 -55.4 9.71 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.589 0.755 . . . . 0.0 110.187 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -63.22 -24.86 68.07 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.095 0.872 . . . . 0.0 111.133 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.84 -48.64 73.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.104 0.962 . . . . 0.0 110.831 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.09 -44.2 48.69 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.967 0.507 . . . . 0.0 111.575 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 p -77.53 -59.26 2.86 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.608 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -94.45 -37.73 11.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.072 0.549 . . . . 0.0 110.953 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.51 -130.57 10.33 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.614 -171.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 9.2 p -148.24 1.84 0.64 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.765 0.826 . . . . 0.0 112.254 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.52 -33.43 3.91 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 120.001 -0.333 . . . . 0.0 113.129 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 2.9 t-20 -57.71 114.04 2.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.185 0.994 . . . . 0.0 112.019 -177.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.02 -50.98 69.88 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.652 1.181 . . . . 0.0 113.019 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.92 54.43 0.71 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.421 0.688 . . . . 0.0 109.525 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 51.2 t -76.0 138.89 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.751 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -117.97 75.53 1.01 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.328 1.061 . . . . 0.0 110.311 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -147.5 116.29 6.77 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.396 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.49 -32.31 49.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.683 1.193 . . . . 0.0 112.01 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -104.86 74.68 1.14 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.095 0.958 . . . . 0.0 108.602 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.2 t -172.35 138.84 0.96 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 118.458 0.572 . . . . 0.0 111.012 171.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 152.41 42.24 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m 69.85 18.55 7.33 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.939 1.295 . . . . 0.0 111.59 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -112.45 130.68 23.14 Favored Pre-proline 0 C--N 1.351 0.665 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 169.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.85 -22.58 63.23 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.459 2.106 . . . . 0.0 111.779 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -71.14 -23.74 62.13 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.0 1.32 . . . . 0.0 112.417 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -98.58 140.62 32.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.273 0.629 . . . . 0.0 110.486 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.59 147.12 37.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.938 0.895 . . . . 0.0 109.368 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -66.03 138.29 57.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.012 0.925 . . . . 0.0 112.617 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -136.26 159.48 41.61 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.051 0.94 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.83 161.13 31.41 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.435 0.694 . . . . 0.0 110.521 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.36 -25.99 68.21 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.215 0.606 . . . . 0.0 111.498 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.89 -54.49 30.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.781 . . . . 0.0 109.434 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.03 77.36 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.402 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.52 50.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.109 0.964 . . . . 0.0 111.542 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -45.16 68.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.822 0.449 . . . . 0.0 110.537 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.6 mm -61.26 -50.05 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.411 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.2 tptm -67.54 -26.3 66.25 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.864 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.077 0.551 . . . . 0.0 110.688 174.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.53 -38.99 91.27 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.785 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 23.9 mm-40 -67.55 -43.49 80.57 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.363 0.415 . . . . 0.0 110.581 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 81.8 mt -70.18 -26.06 63.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.276 0.63 . . . . 0.0 111.101 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.18 -45.65 32.29 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.195 0.31 . . . . 0.0 110.768 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -27.76 63.52 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 pt -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 122.637 0.375 . . . . 0.0 110.127 174.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 57.08 74.89 0.39 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.137 -172.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.3 179.46 7.66 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.37 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -67.85 102.42 1.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 121.912 0.863 . . . . 0.0 109.817 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.46 146.25 27.72 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.939 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.3 t -101.73 34.63 2.57 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.004 0.922 . . . . 0.0 109.908 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 31.7 t70 -137.87 131.33 16.85 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 4.9 Cg_exo -77.85 112.44 3.28 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.533 2.155 . . . . 0.0 113.057 -161.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -125.01 96.69 39.51 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo . . . . . 0 C--N 1.379 2.141 0 C-N-CA 123.046 2.497 . . . . 0.0 111.875 178.357 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? 57.47 70.14 0.68 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.458 1.103 . . . . 0.0 110.107 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -61.06 -32.18 71.82 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.58 10.94 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.066 0.546 . . . . 0.0 111.274 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.71 -28.54 66.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.028 0.531 . . . . 0.0 111.264 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.63 78.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.004 0.922 . . . . 0.0 110.607 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 87.5 tttt -70.0 -34.02 72.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.529 0.732 . . . . 0.0 110.142 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t-160 -73.79 -24.79 59.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.537 175.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -33.74 54.82 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 7' ' ' LYS . 96.6 mt -63.01 -37.57 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.27 -29.36 68.96 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.435 1.094 . . . . 0.0 110.953 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 7.3 mmm180 -64.44 -44.47 91.05 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.02 -31.32 62.87 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.681 0.792 . . . . 0.0 112.089 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -72.26 -43.91 63.63 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -63.88 -36.01 82.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.442 1.089 . . . . 0.0 109.782 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.16 -30.67 71.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.166 0.987 . . . . 0.0 111.441 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.73 -51.71 6.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.805 0.442 . . . . 0.0 111.847 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.8 p -77.2 -39.68 47.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.962 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -103.46 -41.88 5.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.419 0.688 . . . . 0.0 110.37 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -128.11 9.41 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.09 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 p -153.83 16.02 0.5 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.822 0.449 . . . . 0.0 111.896 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.99 -32.89 2.68 Favored Glycine 0 C--N 1.354 1.532 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -56.63 113.6 1.7 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.215 1.006 . . . . 0.0 111.256 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.96 -25.25 57.65 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.946 0.898 . . . . 0.0 112.672 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.09 71.55 1.44 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 123.65 0.78 . . . . 0.0 109.952 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 42.2 t -80.85 142.31 33.76 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.74 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.3 p -110.45 62.43 0.6 Allowed 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.471 0.653 . . . . 0.0 110.833 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -152.18 114.47 4.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 -21.71 64.07 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.555 0.742 . . . . 0.0 111.961 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -90.12 29.83 1.17 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.205 1.002 . . . . 0.0 111.296 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -154.91 142.16 19.45 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 122.115 -0.366 . . . . 0.0 111.837 -171.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -77.52 167.08 22.23 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 165.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m 75.67 4.2 3.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.71 1.204 . . . . 0.0 110.07 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.0 m -102.01 141.12 21.9 Favored Pre-proline 0 C--N 1.353 0.725 0 C-N-CA 124.306 1.042 . . . . 0.0 109.537 174.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 12.1 Cg_exo -68.77 -22.59 36.79 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.804 2.336 . . . . 0.0 111.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.1 p -86.08 -10.53 54.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.187 0.995 . . . . 0.0 112.405 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -85.77 144.18 27.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.763 0.425 . . . . 0.0 110.328 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.1 tp -120.77 139.11 53.58 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -69.15 151.06 46.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.103 0.954 . . . . 0.0 111.818 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -139.86 178.98 6.86 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 113.65 -1.613 . . . . 0.0 109.511 -169.579 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -81.4 156.34 25.46 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.387 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -60.74 -35.83 77.36 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.508 0.723 . . . . 0.0 112.095 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -74.11 -31.48 62.8 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.032 0.533 . . . . 0.0 110.561 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.04 80.27 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.787 0.435 . . . . 0.0 110.003 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.71 68.85 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.571 0.749 . . . . 0.0 110.867 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.0 66.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.353 0.661 . . . . 0.0 110.978 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.5 mm -63.76 -48.49 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.277 0.631 . . . . 0.0 109.598 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.0 tptm -66.49 -32.07 73.2 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.628 0.58 . . . . 0.0 110.76 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.15 87.85 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.029 0.532 . . . . 0.0 110.932 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.66 -37.3 76.65 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.944 0.777 . . . . 0.0 111.126 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 14.4 mm-40 -62.96 -40.01 96.41 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.47 0.481 . . . . 0.0 110.006 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 44.8 mt -73.47 -35.3 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.412 0.685 . . . . 0.0 110.84 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.72 -40.71 76.09 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.941 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -73.66 -36.19 65.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 122.309 0.244 . . . . 0.0 110.847 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.9 pt -86.03 -12.35 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.636 0.374 . . . . 0.0 111.526 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m120 59.15 65.65 1.16 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.294 1.038 . . . . 0.0 109.252 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 178.3 4.12 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.707 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.38 94.44 0.08 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.32 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 36.1 tp -88.31 115.5 25.85 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 -172.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.86 75.3 10.12 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.017 171.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . 12.1 p-10 -94.69 144.68 28.29 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.73 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.36 113.56 1.83 Allowed 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.766 2.311 . . . . 0.0 111.205 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -91.08 106.21 15.12 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.559 0.744 . . . . 0.0 110.34 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 C--N 1.378 2.111 0 C-N-CA 123.232 2.622 . . . . 0.0 112.619 -178.717 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -66.32 105.11 1.35 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.511 0.724 . . . . 0.0 110.31 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.519 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 58.5 ttm-85 -151.99 158.28 42.88 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.892 0.877 . . . . 0.0 108.794 -176.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.92 -32.22 69.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 0.0 110.711 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' H ' ' HG2' ' A' ' 3' ' ' ARG . . . -64.15 -42.3 96.81 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.577 0.751 . . . . 0.0 110.588 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.48 85.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 124.058 0.849 . . . . 0.0 110.571 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.93 -38.1 81.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.379 1.072 . . . . 0.0 110.988 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.82 -33.96 64.38 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.602 0.564 . . . . 0.0 110.811 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.13 -41.96 73.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.407 0.683 . . . . 0.0 110.288 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 98.3 mt -65.01 -36.1 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 123.344 0.658 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.83 -44.39 96.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.16 0.984 . . . . 0.0 110.366 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.6 mmp_? -64.64 -46.81 80.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -71.57 -37.41 71.04 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.369 0.667 . . . . 0.0 111.88 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.72 -51.08 37.46 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.072 0.549 . . . . 0.0 110.095 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -59.95 -31.24 69.68 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.318 1.011 . . . . 0.0 110.459 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -63.46 -41.55 98.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.54 0.736 . . . . 0.0 111.275 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 48' ' ' LYS . 52.1 mt -81.84 -36.71 27.99 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.3 p -84.18 -56.07 3.85 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.323 0.649 . . . . 0.0 110.921 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -100.73 -30.78 11.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.035 0.934 . . . . 0.0 111.725 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.36 -130.66 10.4 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -172.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -155.61 18.06 0.39 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.571 0.748 . . . . 0.0 110.842 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -55.88 1.64 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 122.817 0.246 . . . . 0.0 112.915 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -70.61 116.53 11.04 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.136 0.574 . . . . 0.0 111.438 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.45 -47.71 75.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.941 0.896 . . . . 0.0 111.025 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.22 65.18 6.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.796 0.839 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.712 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.6 t -111.91 123.4 50.17 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.446 1.098 . . . . 0.0 109.051 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -85.88 69.0 10.53 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.972 1.367 . . . . 0.0 109.608 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -148.4 115.28 6.06 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.813 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.98 -16.15 60.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.108 0.963 . . . . 0.0 112.25 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -115.8 82.52 1.78 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.729 1.212 . . . . 0.0 108.677 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -167.9 123.16 1.01 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.37 46.88 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.165 0.438 . . . . 0.0 110.526 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.7 t 69.79 11.36 7.8 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.802 1.314 . . . . 0.0 111.428 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.712 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m -109.41 136.36 20.22 Favored Pre-proline 0 C--N 1.357 0.922 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.45 -19.87 42.52 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.028 2.485 . . . . 0.0 112.036 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.5 p -72.31 -18.14 61.8 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.875 1.27 . . . . 0.0 111.604 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.85 127.56 54.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.885 0.474 . . . . 0.0 111.515 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.09 111.16 22.51 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.24 162.93 16.3 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 122.072 0.939 . . . . 0.0 112.324 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.0 ptp -145.46 171.22 14.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.62 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.84 173.12 12.83 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.695 0.398 . . . . 0.0 110.355 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -35.89 82.36 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.414 0.686 . . . . 0.0 112.629 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -73.64 -39.28 64.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.9 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.59 64.1 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.028 0.931 . . . . 0.0 111.049 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.04 45.93 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.407 0.683 . . . . 0.0 110.634 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -60.69 -46.63 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.967 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 20.2 tptp -63.46 -37.51 87.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.346 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.99 99.59 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.685 0.794 . . . . 0.0 111.069 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.17 -30.73 67.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.033 0.833 . . . . 0.0 111.482 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.14 -41.87 80.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.527 0.331 . . . . 0.0 110.64 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 48.8 mt -70.86 -27.44 63.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.235 0.614 . . . . 0.0 110.925 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.74 -49.96 54.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.888 0.875 . . . . 0.0 110.355 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -36.19 65.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 0.0 112.267 -173.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 57' ' ' ALA . 20.3 pt -82.98 -20.76 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 122.808 0.443 . . . . 0.0 110.931 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.7 t30 60.47 74.05 0.46 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.753 1.221 . . . . 0.0 109.66 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 55' ' ' ILE . . . -82.68 -170.92 3.22 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.381 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.81 127.91 34.28 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.119 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 12' ' ' ARG . 46.5 tp -120.45 140.27 51.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.121 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.5 m -96.91 69.46 2.4 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 124.355 1.062 . . . . 0.0 108.216 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.78 163.15 47.66 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.324 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.57 106.17 0.85 Allowed 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 121.637 1.558 . . . . 0.0 109.928 170.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -99.51 113.96 65.27 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 123.436 0.694 . . . . 0.0 110.05 -168.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--N 1.377 2.064 0 C-N-CA 123.165 2.577 . . . . 0.0 111.592 175.015 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -64.2 126.4 27.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.338 0.655 . . . . 0.0 109.458 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -74.74 -23.68 58.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.922 0.489 . . . . 0.0 111.727 -175.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.59 68.69 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.82 97.8 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.328 0.651 . . . . 0.0 110.724 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.86 53.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.228 1.011 . . . . 0.0 111.1 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HA ' ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -58.08 -51.03 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.924 0.89 . . . . 0.0 111.485 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.5 m170 -70.26 -28.03 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -50.37 70.53 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.089 0.555 . . . . 0.0 109.882 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -58.58 -41.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.472 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.91 -36.45 83.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.345 1.058 . . . . 0.0 111.293 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HB3' HD21 ' A' ' 59' ' ' LEU . 64.0 mtm180 -72.74 -35.85 67.62 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.489 0.493 . . . . 0.0 110.61 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -69.75 -39.39 76.78 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.828 0.705 . . . . 0.0 110.962 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -66.91 -44.7 80.09 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.633 0.773 . . . . 0.0 109.806 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -64.92 -34.33 78.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.185 0.994 . . . . 0.0 110.506 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 43.5 tt0 -66.94 -33.58 75.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.432 1.093 . . . . 0.0 110.907 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.4 -35.83 27.3 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.631 0.372 . . . . 0.0 111.898 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -85.6 -60.88 1.89 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.245 0.618 . . . . 0.0 111.728 -174.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -92.27 -35.42 13.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.38 0.672 . . . . 0.0 110.903 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 16' ' ' GLN . . . 92.11 -110.88 3.95 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.59 12.18 0.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.923 0.889 . . . . 0.0 109.794 170.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -44.55 3.15 Favored Glycine 0 C--N 1.359 1.81 0 N-CA-C 114.109 0.404 . . . . 0.0 114.109 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -69.71 134.66 48.9 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.071 0.949 . . . . 0.0 111.974 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.9 -34.74 51.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.082 0.953 . . . . 0.0 111.356 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.47 4.91 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.247 1.019 . . . . 0.0 110.156 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 14.0 t -120.39 126.01 49.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.327 1.051 . . . . 0.0 110.26 -173.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -91.55 37.45 0.96 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.792 0.837 . . . . 0.0 110.987 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 49.6 t-20 -127.37 113.25 16.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.13 -19.54 53.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.159 0.983 . . . . 0.0 112.195 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -92.96 37.92 1.03 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.051 0.94 . . . . 0.0 109.591 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLN . 51.0 t -143.88 122.71 12.69 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.456 0.302 . . . . 0.0 111.449 -168.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.39 162.25 15.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.579 0.752 . . . . 0.0 111.121 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 m 65.6 8.37 5.09 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.074 0.949 . . . . 0.0 111.967 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 14.6 m -110.73 140.91 23.09 Favored Pre-proline 0 C--N 1.359 0.982 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.45 -14.22 36.7 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.812 2.341 . . . . 0.0 112.575 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.5 p -88.84 10.73 20.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.573 1.149 . . . . 0.0 111.804 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -112.2 132.14 55.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.566 0.746 . . . . 0.0 110.803 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.81 126.3 35.98 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -67.08 152.55 45.56 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.775 0.83 . . . . 0.0 111.285 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.35 176.06 9.03 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.431 -166.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -91.71 159.51 15.81 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -61.05 -36.58 79.96 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.975 0.51 . . . . 0.0 111.619 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.41 -40.6 93.59 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.302 0.641 . . . . 0.0 110.438 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.59 81.21 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.315 0.646 . . . . 0.0 110.845 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.603 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -70.56 -34.16 71.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.076 0.95 . . . . 0.0 110.784 177.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -48.65 64.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.183 0.593 . . . . 0.0 110.348 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.66 -50.48 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.767 0.827 . . . . 0.0 109.97 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 tptm -70.47 -25.65 63.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.986 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.66 98.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.025 0.53 . . . . 0.0 110.529 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.34 -31.79 69.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.569 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.98 -43.67 74.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.683 0.393 . . . . 0.0 110.903 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.6 mt -69.95 -27.4 64.71 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.137 0.575 . . . . 0.0 110.671 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -67.98 -51.67 44.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.506 0.722 . . . . 0.0 111.203 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -30.14 66.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.175 0.59 . . . . 0.0 111.882 -173.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -90.75 -12.96 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.632 0.373 . . . . 0.0 111.236 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 58.42 60.67 2.51 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.746 1.219 . . . . 0.0 110.665 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 173.26 9.74 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.076 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 28' ' ' ASN . 15.6 ptmt -59.66 126.52 27.92 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.447 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 12' ' ' ARG . 4.7 tt -121.01 134.38 55.3 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.958 0.503 . . . . 0.0 110.114 -171.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.9 m -91.09 88.21 6.88 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.166 0.587 . . . . 0.0 109.754 172.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -91.74 168.82 12.37 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.79 107.6 1.51 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 121.395 1.397 . . . . 0.0 110.43 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -108.53 155.66 40.08 Favored Pre-proline 0 N--CA 1.484 1.249 0 C-N-CA 123.396 0.679 . . . . 0.0 110.628 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--N 1.381 2.238 0 C-N-CA 122.704 2.269 . . . . 0.0 111.865 175.831 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.28 99.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.422 0.689 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.03 86.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.647 0.779 . . . . 0.0 111.466 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -65.43 -40.87 93.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.545 0.738 . . . . 0.0 110.942 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 m80 -70.97 -33.56 70.56 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.731 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -46.42 88.77 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.154 0.582 . . . . 0.0 109.555 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.48 -37.46 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.337 1.055 . . . . 0.0 110.429 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.44 -24.95 62.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.91 0.884 . . . . 0.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 86.0 mtt180 -77.69 -34.36 52.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.743 0.417 . . . . 0.0 110.309 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -68.16 -41.65 81.21 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 123.767 0.667 . . . . 0.0 110.215 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.0 -41.96 94.93 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.886 0.874 . . . . 0.0 110.085 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.66 -36.81 84.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.904 0.882 . . . . 0.0 109.59 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.01 -38.7 86.99 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.126 0.892 . . . . 0.0 111.228 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.3 -41.36 25.06 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.3 p -78.27 -59.74 2.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.22 0.464 . . . . 0.0 111.799 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -101.77 -22.02 14.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.185 0.594 . . . . 0.0 111.849 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.26 -144.62 17.32 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 122.913 0.292 . . . . 0.0 112.85 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' OD1' ' A' ' 23' ' ' ASN . 20.1 p -131.93 9.38 4.53 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.42 0.688 . . . . 0.0 111.701 177.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.5 -42.14 2.92 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 114.589 0.595 . . . . 0.0 114.589 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.546 ' OD1' ' SG ' ' A' ' 21' ' ' CYS . 32.3 p-10 -72.13 138.89 48.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.804 0.441 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.29 -43.69 73.32 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 75.79 10.21 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.668 0.747 . . . . 0.0 110.484 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.4 t -134.68 122.4 22.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.417 172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -116.53 69.85 0.75 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 123.144 1.449 . . . . 0.0 108.897 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -127.92 113.6 16.09 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.42 -26.55 68.5 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.348 0.659 . . . . 0.0 111.915 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -87.39 23.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.027 0.931 . . . . 0.0 111.259 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 52.6 t -146.84 138.28 24.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 122.926 0.491 . . . . 0.0 111.83 -170.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 165.32 23.93 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.841 1.256 . . . . 0.0 109.145 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 72.14 3.71 4.77 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.74 1.216 . . . . 0.0 111.018 -168.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 24.8 m -109.38 143.78 28.46 Favored Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 124.754 1.221 . . . . 0.0 108.878 175.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.15 -32.37 93.18 Favored 'Trans proline' 0 C--N 1.379 2.162 0 C-N-CA 123.325 2.683 . . . . 0.0 113.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -81.84 1.06 36.62 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.61 1.164 . . . . 0.0 113.437 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 72.1 t80 -84.08 133.77 34.63 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.632 . . . . 0.0 111.617 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -103.49 127.51 50.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -58.7 108.44 0.65 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.253 1.021 . . . . 0.0 111.876 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 23.2 ptp -101.95 168.89 9.12 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.044 0.938 . . . . 0.0 110.399 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.96 165.18 25.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.987 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.57 -26.03 62.44 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.8 0.44 . . . . 0.0 111.588 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.12 -44.22 72.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.32 71.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.04 0.936 . . . . 0.0 111.389 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.61 -35.21 75.06 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.141 0.976 . . . . 0.0 110.524 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.86 60.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.97 -49.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.432 0.693 . . . . 0.0 109.784 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.4 -23.19 58.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.45 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.68 94.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.054 0.541 . . . . 0.0 110.277 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.51 -36.87 79.47 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.01 0.819 . . . . 0.0 112.168 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -62.59 -55.35 27.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.658 0.383 . . . . 0.0 110.767 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.61 -27.1 68.15 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.291 0.995 . . . . 0.0 111.505 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.74 -53.52 21.42 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.004 0.522 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -69.88 -35.2 74.47 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.611 0.569 . . . . 0.0 110.944 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.24 -17.38 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.816 0.446 . . . . 0.0 110.587 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 57.44 65.73 1.29 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.817 1.247 . . . . 0.0 110.339 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.67 -165.97 1.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.416 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -69.95 96.53 1.04 Allowed 'General case' 0 C--O 1.243 0.75 0 C-N-CA 123.323 0.649 . . . . 0.0 110.309 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.6 tp -91.27 140.44 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m . . . . . 0 C--O 1.246 0.872 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 173.182 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.81 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.745 0.818 . . . . 0.0 111.272 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.62 82.74 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.983 0.802 . . . . 0.0 110.807 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.26 -29.21 67.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.595 0.758 . . . . 0.0 112.138 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -69.39 -32.97 72.33 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.578 0.549 . . . . 0.0 110.434 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.64 -44.05 44.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.499 0.72 . . . . 0.0 110.9 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.79 -39.35 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.09 0.556 . . . . 0.0 109.768 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.71 -48.75 77.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.508 1.523 . . . . 0.0 111.136 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HE ' HD21 ' A' ' 59' ' ' LEU . 84.7 mtm-85 -74.77 -31.67 61.84 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -76.21 -40.35 52.41 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.992 0.517 . . . . 0.0 110.427 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -58.15 -51.84 68.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.02 0.928 . . . . 0.0 111.027 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -76.53 -20.94 56.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.89 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.74 -35.76 80.84 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.086 0.47 . . . . 0.0 110.527 169.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 48' ' ' LYS . 54.7 mt -89.74 -40.28 12.61 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 112.467 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -77.41 -53.75 7.27 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.918 0.487 . . . . 0.0 111.106 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -91.81 -50.89 5.49 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.654 0.74 . . . . 0.0 110.161 -175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.68 -116.84 5.5 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.719 -172.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -156.05 -1.8 0.13 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.02 0.528 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.43 -33.87 1.8 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.188 0.449 . . . . 0.0 113.828 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -72.01 125.07 26.31 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.47 1.108 . . . . 0.0 111.18 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.65 -40.31 92.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.411 1.084 . . . . 0.0 111.443 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.11 6.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.777 0.831 . . . . 0.0 109.962 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.8 t -135.74 107.9 7.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -84.81 -5.02 59.32 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.573 1.149 . . . . 0.0 113.432 -172.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -82.84 112.35 19.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.903 0.481 . . . . 0.0 110.589 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -22.18 66.86 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.238 1.015 . . . . 0.0 112.037 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -88.53 28.74 1.07 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.71 0.804 . . . . 0.0 111.551 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -139.75 139.23 36.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.338 0.655 . . . . 0.0 109.721 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 163.17 28.32 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m 73.98 3.54 4.45 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.891 1.276 . . . . 0.0 111.178 -169.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.9 m -101.48 139.33 20.32 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.943 0.897 . . . . 0.0 110.03 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.52 -39.12 93.46 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.551 2.834 . . . . 0.0 113.364 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -89.1 8.16 31.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.133 0.973 . . . . 0.0 113.084 -172.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -82.32 139.39 34.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.0 0.52 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.05 118.16 36.45 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.8 125.67 24.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.006 0.816 . . . . 0.0 112.916 -172.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.0 ptp -133.34 119.94 20.35 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 124.088 0.955 . . . . 0.0 108.438 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.33 -174.29 3.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 110.958 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -43.35 -48.52 6.94 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 125.755 1.622 . . . . 0.0 115.198 -161.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.01 -49.25 47.14 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.444 0.565 . . . . 0.0 110.449 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.21 72.0 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 111.949 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.68 -25.77 26.34 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.47 67.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.317 0.647 . . . . 0.0 109.99 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.56 -50.05 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.131 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HB3' HD13 ' A' ' 17' ' ' LEU . 40.7 tptt -70.13 -22.61 62.98 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.115 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.69 89.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.17 0.588 . . . . 0.0 110.322 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 -39.19 91.0 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.308 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.06 -53.6 55.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.615 0.766 . . . . 0.0 111.032 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.28 -22.57 62.85 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.648 0.779 . . . . 0.0 111.439 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -74.04 -50.76 18.28 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 122.545 0.338 . . . . 0.0 110.816 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.79 -33.17 72.01 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -172.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.96 -14.66 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.736 0.415 . . . . 0.0 111.207 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 61.72 60.99 1.5 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.408 1.083 . . . . 0.0 110.16 -175.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.18 178.71 7.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.047 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.64 105.84 1.64 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.742 0.817 . . . . 0.0 111.17 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD21 ' HE ' ' A' ' 12' ' ' ARG . 55.0 tp -87.09 136.05 33.07 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.241 0.625 0 C-N-CA 123.244 0.618 . . . . 0.0 112.472 -173.569 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.713 0.292 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.42 74.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.722 0.809 . . . . 0.0 110.704 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.796 0.839 . . . . 0.0 111.305 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -63.25 -44.3 95.57 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.031 0.832 . . . . 0.0 109.537 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.9 m170 -61.5 -35.06 76.63 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.003 0.815 . . . . 0.0 111.257 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -37.04 73.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.951 0.901 . . . . 0.0 110.002 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.23 -38.08 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.671 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 36.1 mm-40 -65.59 -30.85 71.64 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.583 0.753 . . . . 0.0 111.783 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.7 mmp_? -66.8 -47.34 72.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.1 -36.29 81.64 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.315 1.009 . . . . 0.0 111.838 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.29 -49.83 57.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.754 0.422 . . . . 0.0 110.171 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -64.51 -29.16 70.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.66 0.784 . . . . 0.0 110.16 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 25.5 tt0 -64.25 -40.22 95.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.735 0.814 . . . . 0.0 110.643 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.02 -48.49 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.537 0.735 . . . . 0.0 112.172 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 p -82.81 -29.9 29.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.062 0.545 . . . . 0.0 112.253 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -117.95 -54.96 2.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.42 . . . . 0.0 111.339 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.1 -141.39 16.95 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.751 -172.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 p -141.36 2.28 1.65 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.273 1.029 . . . . 0.0 112.005 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.03 -33.07 6.02 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.881 -0.399 . . . . 0.0 112.383 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -51.14 118.62 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.477 1.111 . . . . 0.0 112.042 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.12 -47.21 83.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.95 104.05 13.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.25 1.02 . . . . 0.0 109.635 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -141.28 134.63 29.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.542 1.137 . . . . 0.0 108.179 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -114.55 83.55 1.91 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.17 0.988 . . . . 0.0 109.404 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -155.11 125.5 6.81 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.468 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.01 -16.83 63.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.889 1.276 . . . . 0.0 112.569 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.83 -0.09 31.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.701 0.8 . . . . 0.0 112.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.0 t -107.59 138.21 44.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.724 0.41 . . . . 0.0 110.114 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -72.73 149.07 44.06 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.926 0.49 . . . . 0.0 110.988 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m 74.91 4.33 4.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.326 1.45 . . . . 0.0 112.355 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 83.7 m -85.53 150.93 55.08 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.65 0.78 . . . . 0.0 110.343 175.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.99 -46.94 30.35 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 123.509 2.806 . . . . 0.0 114.021 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.0 p -89.31 16.06 8.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.91 0.884 . . . . 0.0 112.575 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 69.6 t80 -110.44 146.99 34.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.31 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.2 138.43 51.71 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.598 1.159 . . . . 0.0 108.761 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 21.8 mmt180 -68.02 117.11 9.45 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.668 0.605 . . . . 0.0 110.845 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.406 ' SD ' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.22 164.55 13.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.703 0.801 . . . . 0.0 110.672 175.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.05 162.75 18.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.796 0.839 . . . . 0.0 109.789 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -63.54 -37.01 85.68 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.996 0.519 . . . . 0.0 111.3 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -74.47 -35.74 63.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.616 0.766 . . . . 0.0 110.328 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.7 81.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.25 0.62 . . . . 0.0 110.532 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.36 -29.77 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 110.701 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -49.93 65.47 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.738 0.649 . . . . 0.0 110.258 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.0 -48.7 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.622 0.769 . . . . 0.0 110.058 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 50.1 tptt -63.44 -36.31 83.31 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.918 0.761 . . . . 0.0 110.582 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.94 98.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.413 0.685 . . . . 0.0 110.965 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -37.04 80.64 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.357 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.84 -40.39 72.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.623 0.369 . . . . 0.0 111.263 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 83.5 mt -70.49 -28.23 64.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.183 0.593 . . . . 0.0 110.726 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -69.67 -53.96 16.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.159 0.584 . . . . 0.0 110.474 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.57 -40.96 98.54 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.338 0.655 . . . . 0.0 111.846 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 pt -81.81 -20.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.874 0.47 . . . . 0.0 110.962 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 m120 56.28 73.64 0.43 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.767 1.227 . . . . 0.0 110.32 -170.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.74 -167.19 1.03 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.959 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.03 95.61 0.73 Allowed 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -78.72 131.78 36.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.387 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 t . . . . . 0 C--O 1.245 0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.578 -177.499 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.73 87.35 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.392 0.677 . . . . 0.0 111.051 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB1' ' OH ' ' A' ' 53' ' ' TYR . . . -75.09 -26.03 58.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.797 1.239 . . . . 0.0 111.653 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -74.12 -52.62 11.99 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.514 1.126 . . . . 0.0 108.501 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 23.1 m-70 -70.42 -22.73 62.7 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.207 178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -43.1 92.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.176 0.99 . . . . 0.0 109.091 169.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.12 -35.2 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.446 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.35 -26.17 65.46 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.633 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.2 mmp_? -71.28 -42.78 68.3 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HA ' ' A' ' 53' ' ' TYR . 41.5 m-85 -63.94 -49.19 73.58 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.499 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.6 -39.13 76.15 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.712 0.805 . . . . 0.0 110.229 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.82 -42.84 97.56 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 124.204 0.94 . . . . 0.0 109.933 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -69.31 -25.87 64.44 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.75 0.656 . . . . 0.0 111.603 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 52' ' ' LEU . 2.5 mm? -87.26 -31.21 20.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.563 0.345 . . . . 0.0 111.883 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.0 p -87.96 -52.39 5.3 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 117.891 0.314 . . . . 0.0 111.554 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.58 -31.99 7.29 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.699 0.8 . . . . 0.0 112.433 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 -108.11 3.64 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -171.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.1 p -150.29 10.17 0.67 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.065 0.946 . . . . 0.0 110.473 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.03 -49.33 1.96 Allowed Glycine 0 C--N 1.355 1.585 0 C-N-CA 122.869 0.271 . . . . 0.0 112.693 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -66.15 116.5 7.3 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.414 0.686 . . . . 0.0 111.043 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -33.99 68.25 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.506 0.723 . . . . 0.0 111.224 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 48.76 1.69 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.479 1.111 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.591 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 42.4 t -102.64 124.28 47.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.819 1.247 . . . . 0.0 110.09 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.4 p -82.95 31.12 0.43 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.171 0.989 . . . . 0.0 112.868 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -112.36 113.29 25.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.537 1.135 . . . . 0.0 108.179 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -23.48 63.97 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.209 1.004 . . . . 0.0 112.461 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -90.05 23.03 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.497 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -126.76 126.03 42.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.426 0.69 . . . . 0.0 110.678 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.7 162.0 29.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.504 0.722 . . . . 0.0 110.262 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t 71.35 1.13 3.72 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 124.957 1.303 . . . . 0.0 111.325 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 36.1 m -99.65 144.78 28.95 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 122.97 0.508 . . . . 0.0 109.753 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.37 -5.7 17.29 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.85 2.367 . . . . 0.0 112.26 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -101.08 12.62 37.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.644 1.178 . . . . 0.0 111.511 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -120.62 156.1 32.37 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.659 0.784 . . . . 0.0 110.069 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.2 tp -115.24 111.94 21.7 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.567 1.147 . . . . 0.0 108.311 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -56.02 139.35 47.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 0.0 111.216 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -130.86 165.59 22.71 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.955 0.902 . . . . 0.0 110.146 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.6 162.4 25.97 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.033 0.933 . . . . 0.0 110.359 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -60.79 -40.79 93.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.855 0.862 . . . . 0.0 111.748 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -70.57 -39.24 74.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.884 0.474 . . . . 0.0 110.125 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.31 71.95 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.392 0.677 . . . . 0.0 110.863 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -28.82 60.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.223 1.009 . . . . 0.0 110.442 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -36.91 63.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.829 0.852 . . . . 0.0 111.047 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.5 -49.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.566 0.746 . . . . 0.0 109.827 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -67.65 -34.38 76.83 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.632 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.36 93.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.457 0.703 . . . . 0.0 110.622 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -36.72 66.6 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 124.293 0.996 . . . . 0.0 110.719 -178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 68.8 mm-40 -59.82 -55.38 34.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.53 0.732 . . . . 0.0 110.141 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 17' ' ' LEU . 73.6 mt -67.22 -26.35 66.55 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.107 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.464 ' OH ' ' HB1' ' A' ' 6' ' ' ALA . 48.4 t80 -65.79 -54.53 25.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.288 0.635 . . . . 0.0 111.061 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 21.2 pttp -71.07 -28.03 64.06 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.748 0.655 . . . . 0.0 111.769 -171.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.6 pt -89.29 -14.56 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.655 0.382 . . . . 0.0 111.57 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 68.26 0.84 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.757 1.223 . . . . 0.0 110.957 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.28 -179.94 6.0 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.838 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.85 117.14 11.98 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.256 1.023 . . . . 0.0 111.762 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.92 145.57 26.89 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 110.555 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 C--O 1.237 0.405 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.692 166.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.818 0 CA-C-O 120.314 0.102 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.41 75.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.337 0.655 . . . . 0.0 111.501 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.49 44.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.669 0.788 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -59.55 -46.2 89.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.688 0.795 . . . . 0.0 110.728 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.594 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 55.9 m-70 -72.36 -23.72 61.17 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.495 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -46.71 64.59 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.135 0.574 . . . . 0.0 109.613 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.86 -36.23 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.986 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.1 -35.54 77.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.84 1.256 . . . . 0.0 111.223 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 91.0 mtt180 -71.59 -39.45 70.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 123.575 0.547 . . . . 0.0 111.507 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -67.93 -38.24 82.64 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.857 0.723 . . . . 0.0 111.195 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -68.42 -47.68 66.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.374 0.67 . . . . 0.0 109.931 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -61.07 -35.46 77.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.25 1.02 . . . . 0.0 110.263 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.76 -44.85 96.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.013 0.925 . . . . 0.0 111.367 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -79.66 -43.84 22.03 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 123.641 0.588 . . . . 0.0 112.442 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.2 p -84.54 -59.96 2.21 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.016 0.526 . . . . 0.0 111.541 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -79.56 -42.08 25.84 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.36 0.664 . . . . 0.0 110.867 -172.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.07 -153.88 22.12 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.417 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -132.59 2.9 3.82 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.833 0.853 . . . . 0.0 111.96 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.16 -34.73 2.17 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.54 137.97 57.85 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.481 1.113 . . . . 0.0 112.293 -173.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.91 -74.85 0.05 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.762 1.225 . . . . 0.0 111.681 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.32 78.48 3.07 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.21 0.529 . . . . 0.0 110.001 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 12.3 t -82.12 127.31 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.201 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -92.55 56.33 2.68 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.744 0.818 . . . . 0.0 112.23 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -155.88 120.13 4.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.177 0.591 . . . . 0.0 109.794 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -38.45 78.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.02 0.928 . . . . 0.0 112.033 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -88.9 62.17 6.24 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.798 0.839 . . . . 0.0 110.225 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.1 t -165.6 132.37 2.78 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.677 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 159.45 34.57 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m 75.32 10.7 3.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.703 1.252 . . . . 0.0 110.88 -162.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.9 m -114.44 133.59 22.45 Favored Pre-proline 0 C--O 1.243 0.712 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 167.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.4 -20.33 61.36 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.72 2.28 . . . . 0.0 112.227 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -72.58 -24.24 61.07 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.323 1.049 . . . . 0.0 111.651 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -78.05 122.44 25.58 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.409 0.443 . . . . 0.0 110.494 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.27 127.28 32.54 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -62.13 106.72 0.76 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.649 0.593 . . . . 0.0 110.631 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptm -95.62 169.46 10.02 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.644 1.178 . . . . 0.0 109.767 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.29 162.95 28.76 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.404 0.682 . . . . 0.0 109.964 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -65.18 -37.82 88.57 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.117 0.967 . . . . 0.0 111.11 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -67.39 -42.92 82.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.203 0.601 . . . . 0.0 109.827 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.71 89.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.623 1.202 . . . . 0.0 111.081 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.34 -27.09 60.53 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.002 0.921 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.43 64.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.211 0.604 . . . . 0.0 110.639 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.4 mm -63.95 -50.36 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptm -70.48 -22.12 62.7 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.561 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.12 94.95 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.699 0.4 . . . . 0.0 110.06 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.84 -35.09 74.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.16 0.913 . . . . 0.0 111.867 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 18.9 mm-40 -66.01 -58.07 6.33 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -60.21 -26.23 66.22 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.286 0.991 . . . . 0.0 111.535 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.13 -57.03 9.63 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.38 0.672 . . . . 0.0 110.754 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -75.43 -33.37 60.92 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.469 0.481 . . . . 0.0 111.641 -172.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.434 HD11 HD23 ' A' ' 52' ' ' LEU . 10.6 pt -81.42 -7.39 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.516 0.326 . . . . 0.0 110.74 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.8 m120 58.78 53.62 5.75 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 124.784 1.234 . . . . 0.0 110.88 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.7 -174.08 2.86 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.534 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -70.51 105.71 3.18 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.943 -172.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.37 136.28 37.64 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.443 0.697 . . . . 0.0 109.833 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.472 0.667 0 C-N-CA 124.921 1.289 . . . . 0.0 109.226 178.143 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.43 0.157 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.41 80.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.057 0.543 . . . . 0.0 110.743 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.51 74.72 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.954 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.35 -39.53 78.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.345 1.058 . . . . 0.0 110.28 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.568 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 m-70 -64.18 -40.8 96.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 173.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.03 98.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.447 0.699 . . . . 0.0 110.161 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.02 -36.41 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.626 0.771 . . . . 0.0 110.384 173.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -64.6 -32.21 73.76 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.912 0.885 . . . . 0.0 110.217 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 40.6 mtp85 -75.01 -38.2 61.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.33 0.652 . . . . 0.0 110.454 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.13 -41.35 94.91 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.455 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -66.76 -39.03 87.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.237 0.615 . . . . 0.0 109.776 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.16 -41.01 91.89 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 124.473 1.108 . . . . 0.0 109.153 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.11 -44.07 97.92 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.125 0.891 . . . . 0.0 111.632 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.64 -37.71 79.9 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.065 0.393 . . . . 0.0 111.885 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 p -89.83 -65.91 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.73 -46.49 12.2 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.546 0.738 . . . . 0.0 110.908 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.64 -109.26 3.78 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -173.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -153.36 2.37 0.28 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.644 0.778 . . . . 0.0 112.101 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -31.54 4.94 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.255 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -52.41 136.58 31.25 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.402 1.081 . . . . 0.0 112.765 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -73.47 -57.79 3.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.821 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.03 101.28 13.61 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.817 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.4 t -136.77 115.64 12.24 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.076 0.95 . . . . 0.0 109.043 173.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -91.12 59.02 3.88 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 122.746 1.26 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.23 120.23 21.91 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.545 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.78 -26.55 66.15 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.391 1.476 . . . . 0.0 113.139 -173.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.62 5.97 45.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.771 0.829 . . . . 0.0 112.022 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -104.57 134.54 47.56 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.92 0.488 . . . . 0.0 110.855 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.7 158.98 31.62 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.532 0.733 . . . . 0.0 109.735 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 m 65.31 17.08 10.86 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 124.186 0.929 . . . . 0.0 111.286 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 35.7 m -112.03 146.13 34.19 Favored Pre-proline 0 C--N 1.364 1.222 0 C-N-CA 123.356 0.662 . . . . 0.0 109.826 173.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -10.02 26.44 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.714 2.276 . . . . 0.0 112.986 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.2 p -95.68 4.84 52.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.245 1.018 . . . . 0.0 111.801 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -131.59 137.53 48.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.039 0.536 . . . . 0.0 109.831 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.61 160.63 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.829 0.852 . . . . 0.0 110.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -69.91 126.64 30.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.724 0.81 . . . . 0.0 110.225 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -168.9 1.5 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.424 1.089 . . . . 0.0 111.056 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.11 160.37 15.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 0.0 109.018 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.21 -40.48 81.71 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.114 0.966 . . . . 0.0 112.06 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -70.03 -38.77 75.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.539 0.736 . . . . 0.0 110.278 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.2 77.5 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.441 0.697 . . . . 0.0 111.147 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.64 77.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.726 0.81 . . . . 0.0 110.549 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -47.08 68.84 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.341 0.657 . . . . 0.0 111.727 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.89 -49.8 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.213 0.605 . . . . 0.0 109.771 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.7 tptm -67.44 -28.77 68.16 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.672 0.607 . . . . 0.0 110.715 -175.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.3 89.83 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.957 0.503 . . . . 0.0 110.561 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.37 -38.0 80.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -60.13 -55.14 37.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.061 0.544 . . . . 0.0 109.92 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 76.6 mt -61.7 -32.22 72.41 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.084 0.954 . . . . 0.0 111.727 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -64.25 -56.44 14.61 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 123.742 0.651 . . . . 0.0 110.528 175.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.56 -16.46 57.41 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 pt -93.74 -15.06 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.233 0.47 . . . . 0.0 110.43 174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.75 68.19 0.66 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.299 1.04 . . . . 0.0 110.061 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.14 176.58 7.52 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.434 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -69.61 100.41 1.45 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.182 0.993 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -84.16 130.58 34.83 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.521 0.728 . . . . 0.0 109.617 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.469 0.5 0 C-N-CA 123.76 0.824 . . . . 0.0 111.167 -175.417 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 120.732 0.301 . . . . 0.0 110.686 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.0 89.48 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.804 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.4 84.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.415 1.086 . . . . 0.0 111.424 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.67 -50.33 73.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.364 1.066 . . . . 0.0 110.831 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 5.7 m-70 -67.23 -31.46 71.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.483 -177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -46.17 80.69 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.336 0.654 . . . . 0.0 110.427 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.68 -38.95 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 O-C-N 123.788 0.68 . . . . 0.0 110.084 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.7 -28.81 65.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.594 0.757 . . . . 0.0 112.379 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 3.7 mmp_? -69.55 -45.49 68.64 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.896 0.479 . . . . 0.0 110.163 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -65.86 -40.88 92.11 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.582 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -61.27 -45.04 96.15 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.655 0.782 . . . . 0.0 110.61 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -58.95 -36.49 74.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.496 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.39 -30.12 68.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.346 0.658 . . . . 0.0 112.065 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.59 -38.16 17.4 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 118.567 0.621 . . . . 0.0 112.035 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -76.46 -41.29 47.8 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 120.928 0.394 . . . . 0.0 111.773 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.96 -57.05 2.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.586 0.754 . . . . 0.0 109.969 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.54 -120.76 4.62 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.85 2.9 0.53 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.169 0.588 . . . . 0.0 111.852 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.79 3.11 Favored Glycine 0 N--CA 1.475 1.235 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 105.21 0.36 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.29 1.036 . . . . 0.0 110.168 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.99 -34.47 64.21 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 61.9 7.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.898 0.879 . . . . 0.0 109.289 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 36.1 t -113.86 119.01 35.82 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.993 0.917 . . . . 0.0 109.968 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -87.27 58.75 5.17 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.708 0.803 . . . . 0.0 111.603 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -142.71 113.1 7.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.171 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.91 -27.02 68.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.333 1.053 . . . . 0.0 111.563 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.3 37.48 0.82 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.669 1.187 . . . . 0.0 110.575 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -153.48 139.84 18.61 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.828 0.451 . . . . 0.0 110.48 -172.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.04 163.63 19.77 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.17 0.988 . . . . 0.0 109.923 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.9 m 70.87 1.51 3.79 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.342 1.457 . . . . 0.0 111.198 -172.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 56.2 m -93.13 146.75 32.53 Favored Pre-proline 0 C--N 1.358 0.952 0 C-N-CA 123.704 0.802 . . . . 0.0 109.947 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.07 -31.14 92.39 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.34 2.693 . . . . 0.0 112.18 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -87.26 14.17 8.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.88 1.272 . . . . 0.0 112.549 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.66 135.53 46.92 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.849 0.459 . . . . 0.0 110.333 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.42 145.69 34.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -65.17 115.84 5.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.982 0.513 . . . . 0.0 110.761 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 ptm -111.72 161.45 16.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.652 1.181 . . . . 0.0 108.612 173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.37 167.51 20.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.238 0.615 . . . . 0.0 110.92 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.31 -32.21 66.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.41 -34.92 68.21 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.134 0.573 . . . . 0.0 110.139 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.53 75.05 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.238 0.615 . . . . 0.0 110.608 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.94 60.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.382 1.073 . . . . 0.0 110.585 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.84 69.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.555 0.742 . . . . 0.0 110.586 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.54 -46.72 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.656 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.6 tptt -66.88 -31.26 71.75 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 124.019 0.824 . . . . 0.0 110.97 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.17 92.81 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.624 0.77 . . . . 0.0 110.65 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.05 -34.14 72.86 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.99 0.806 . . . . 0.0 111.715 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 19.8 mm-40 -58.98 -53.6 56.53 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.346 0.658 . . . . 0.0 110.089 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 28.1 mt -73.29 -25.07 60.51 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.211 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -64.93 -51.46 61.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.678 0.611 . . . . 0.0 110.875 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 22.6 pttp -75.89 -35.71 59.74 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.718 -173.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.7 pt -85.03 -12.85 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.316 0.247 . . . . 0.0 110.864 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 57.55 57.93 4.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.638 1.175 . . . . 0.0 110.252 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.48 178.74 4.43 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.947 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -62.08 99.09 0.12 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.408 1.083 . . . . 0.0 111.382 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 12' ' ' ARG . 30.8 tp -91.58 125.31 36.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.4 m . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.75 75.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.415 0.686 . . . . 0.0 110.511 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.73 75.54 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.634 0.773 . . . . 0.0 110.466 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.26 -41.58 96.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.603 0.761 . . . . 0.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.1 m80 -68.18 -33.32 74.23 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.994 0.808 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.39 72.96 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.26 -34.59 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.97 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -62.65 -42.56 99.67 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.151 0.98 . . . . 0.0 109.294 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 97.4 mtt180 -68.62 -33.69 74.46 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.793 0.683 . . . . 0.0 111.489 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -71.39 -42.53 68.27 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.609 0.364 . . . . 0.0 111.067 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.54 -39.68 81.02 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.405 0.682 . . . . 0.0 110.331 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.91 -41.42 97.68 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.581 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 8.1 tt0 -60.48 -36.5 78.43 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 124.271 0.982 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.48 -43.75 47.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.961 0.504 . . . . 0.0 111.956 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -80.02 -58.58 3.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.204 0.602 . . . . 0.0 111.696 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.48 -44.94 6.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.361 1.064 . . . . 0.0 110.805 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.74 -111.29 4.21 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.031 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -158.49 8.42 0.14 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.541 0.736 . . . . 0.0 111.824 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.51 -32.6 3.6 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.756 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 2.4 m-20 -55.36 111.1 0.8 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.387 1.075 . . . . 0.0 112.674 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.42 -54.71 19.89 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.141 1.376 . . . . 0.0 112.145 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.27 48.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.532 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.6 t -69.18 140.28 54.63 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -114.95 78.47 1.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 122.194 0.997 . . . . 0.0 110.321 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -162.77 121.07 2.08 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.289 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.02 -15.49 63.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.318 1.047 . . . . 0.0 112.378 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.37 14.63 29.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.936 0.894 . . . . 0.0 111.511 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 41.8 t -128.79 136.27 50.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.251 0.62 . . . . 0.0 110.235 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.04 160.59 31.07 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 123.604 0.761 . . . . 0.0 109.259 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t 67.88 12.54 8.87 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 124.392 1.058 . . . . 0.0 110.857 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 60.4 m -101.35 140.32 21.16 Favored Pre-proline 0 C--N 1.357 0.906 0 C-N-CA 123.594 0.757 . . . . 0.0 109.114 168.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -64.44 -28.99 62.42 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.944 2.43 . . . . 0.0 112.254 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -85.24 -2.42 58.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.076 0.95 . . . . 0.0 112.964 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -78.82 125.63 29.63 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.545 0.338 . . . . 0.0 110.896 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.48 118.76 26.11 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.89 155.93 37.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.281 0.562 . . . . 0.0 110.746 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.04 169.41 17.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.406 -165.207 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -87.14 166.95 14.59 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.119 168.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -64.38 -35.55 81.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.229 0.612 . . . . 0.0 111.519 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -70.91 -41.51 71.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.996 0.518 . . . . 0.0 109.923 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.97 85.04 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.068 0.855 . . . . 0.0 111.006 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -72.63 -35.45 67.8 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.084 0.954 . . . . 0.0 110.873 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.35 69.33 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.164 0.586 . . . . 0.0 110.691 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.38 -51.18 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.824 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptp -60.32 -41.07 92.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.272 0.983 . . . . 0.0 110.531 -173.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.23 99.2 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.449 0.7 . . . . 0.0 111.129 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.9 -36.1 81.5 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.887 0.742 . . . . 0.0 111.466 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 38.9 mm-40 -68.22 -45.06 74.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.71 0.404 . . . . 0.0 110.43 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 86.9 mt -66.42 -28.44 68.62 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.634 0.774 . . . . 0.0 110.887 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -71.87 -49.52 37.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.431 0.693 . . . . 0.0 111.354 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -71.88 -34.05 68.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.036 0.535 . . . . 0.0 111.712 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 51' ' ' GLU . 18.6 pt -84.39 -18.73 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.571 0.349 . . . . 0.0 110.78 176.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 59.97 69.78 0.68 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.538 1.135 . . . . 0.0 109.561 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.95 -170.34 2.97 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.471 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -66.53 96.52 0.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 110.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.2 tp -86.87 105.52 17.11 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.9 t . . . . . 0 CA--C 1.542 0.64 0 C-N-CA 123.881 0.872 . . . . 0.0 109.298 -178.301 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.09 71.82 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.903 0.881 . . . . 0.0 112.215 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.84 73.07 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.544 0.528 . . . . 0.0 110.483 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.427 ' HD3' HD12 ' A' ' 10' ' ' ILE . 72.2 mmtt -71.65 -26.88 62.73 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.326 1.05 . . . . 0.0 111.31 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.8 m170 -70.66 -37.7 73.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.992 0.517 . . . . 0.0 110.279 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -35.34 69.43 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.076 0.86 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' HD3' ' A' ' 7' ' ' LYS . 96.6 mt -64.38 -40.58 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.865 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -66.39 -30.49 70.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.908 0.883 . . . . 0.0 110.367 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.625 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.6 mmp_? -63.4 -48.89 75.96 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -74.6 -32.57 62.4 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.796 0.685 . . . . 0.0 112.46 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -73.65 -48.79 29.72 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.674 0.39 . . . . 0.0 110.136 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -68.25 -23.9 64.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.201 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.08 -36.31 82.85 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.534 0.734 . . . . 0.0 110.57 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.82 -25.31 32.8 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -85.92 -54.65 4.37 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -120.66 -26.9 5.2 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.177 0.591 . . . . 0.0 111.855 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.97 -110.98 3.95 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 173.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -137.62 12.13 2.95 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.498 1.119 . . . . 0.0 109.092 170.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.38 -56.67 5.03 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 122.829 0.252 . . . . 0.0 113.265 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.35 128.44 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.964 0.906 . . . . 0.0 111.726 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' SER . 14.0 pt-20 -78.89 -20.13 50.22 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.62 72.25 7.54 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 170.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 38.6 t -144.95 116.13 7.93 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.663 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -75.44 -19.88 59.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.122 0.969 . . . . 0.0 112.592 -176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -67.38 110.23 3.49 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.264 0.626 . . . . 0.0 110.316 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -13.4 60.08 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.344 1.058 . . . . 0.0 112.536 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -91.35 19.67 5.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.924 0.89 . . . . 0.0 110.48 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.9 122.42 28.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.257 1.023 . . . . 0.0 108.432 -174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 158.98 26.44 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.006 0.922 . . . . 0.0 111.064 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 43.8 m 70.58 2.74 4.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.033 1.333 . . . . 0.0 111.971 -170.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 66.5 m -88.23 141.79 31.19 Favored Pre-proline 0 C--N 1.356 0.883 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 169.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.81 -5.64 17.56 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.049 2.499 . . . . 0.0 113.355 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -99.34 -15.95 18.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.071 0.948 . . . . 0.0 112.227 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -75.37 140.15 42.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.393 0.677 . . . . 0.0 110.835 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt -111.87 142.9 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.42 0.688 . . . . 0.0 109.67 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -63.64 151.29 42.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.924 0.889 . . . . 0.0 111.989 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.7 ptp -141.28 156.37 45.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.299 0.64 . . . . 0.0 109.778 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.5 162.66 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.229 1.012 . . . . 0.0 110.03 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -51.26 -49.77 60.51 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.633 1.173 . . . . 0.0 111.566 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -72.28 -37.91 68.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.179 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.18 75.2 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.037 0.535 . . . . 0.0 111.14 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.25 63.11 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.994 0.918 . . . . 0.0 110.493 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.42 92.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.231 0.612 . . . . 0.0 110.854 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -64.61 -54.34 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.023 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 55.9 tptt -63.68 -29.26 70.51 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.916 0.76 . . . . 0.0 111.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.54 77.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.513 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.69 -28.76 67.14 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.542 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.92 -49.88 64.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.901 0.481 . . . . 0.0 110.259 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 93.9 mt -66.54 -26.42 67.14 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.617 0.767 . . . . 0.0 111.032 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.85 -49.88 27.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 0.0 111.231 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.76 -37.7 76.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.92 0.488 . . . . 0.0 111.399 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.47 -18.29 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 122.943 0.497 . . . . 0.0 110.948 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 58.65 69.73 0.71 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 124.553 1.141 . . . . 0.0 109.661 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.43 -175.23 3.67 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.258 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -64.67 95.77 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.128 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 12' ' ' ARG . 34.7 tp -83.62 121.0 26.66 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.813 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.24 0.599 0 C-N-CA 123.415 0.686 . . . . 0.0 110.967 -173.188 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.563 0.221 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.99 70.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.378 0.671 . . . . 0.0 111.534 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.21 67.28 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.635 0.774 . . . . 0.0 109.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -56.73 -52.36 65.28 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.54 1.15 . . . . 0.0 110.74 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 m-70 -57.83 -46.15 85.14 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.207 0.942 . . . . 0.0 111.323 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.54 -38.96 81.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.787 0.68 . . . . 0.0 112.096 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.12 -39.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -65.36 -35.49 81.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.932 0.893 . . . . 0.0 111.692 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.6 mmp_? -66.55 -47.32 73.22 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.726 0.81 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -74.02 -33.55 63.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 0.0 111.677 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.72 -47.29 66.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.012 0.525 . . . . 0.0 110.012 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.48 -33.59 76.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.836 0.854 . . . . 0.0 110.192 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -57.77 -46.63 84.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.347 1.029 . . . . 0.0 110.491 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.1 mt -74.05 -51.19 16.57 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.155 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.0 p -73.19 -66.69 0.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.486 0.715 . . . . 0.0 111.556 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -83.1 -38.09 22.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.36 0.664 . . . . 0.0 110.687 -171.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.6 -135.69 12.59 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.074 0.859 . . . . 0.0 111.933 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -149.15 -2.38 0.45 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.54 -35.28 3.04 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.806 -0.441 . . . . 0.0 113.702 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.76 122.61 12.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.946 1.298 . . . . 0.0 111.949 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.58 -45.24 65.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.359 1.064 . . . . 0.0 111.783 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.71 1.23 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.757 0.789 . . . . 0.0 109.986 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.3 t -75.75 113.45 13.22 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.957 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.1 p -86.17 42.19 0.97 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.118 0.967 . . . . 0.0 111.922 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -141.31 106.66 5.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -23.39 64.32 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.999 0.92 . . . . 0.0 112.548 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -88.23 39.14 0.89 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.803 0.841 . . . . 0.0 110.623 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -147.26 133.44 19.4 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.249 0.62 . . . . 0.0 109.438 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.12 156.11 38.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.27 0.628 . . . . 0.0 110.712 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 m 73.44 4.13 4.74 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.281 1.432 . . . . 0.0 112.222 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 75.5 m -92.91 134.35 27.56 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 166.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.77 -14.62 42.23 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.955 2.437 . . . . 0.0 112.508 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -80.05 -23.34 41.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.629 1.172 . . . . 0.0 111.495 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -89.36 118.77 29.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.345 0.658 . . . . 0.0 110.072 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -89.35 138.04 31.79 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -71.13 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.171 0.51 . . . . 0.0 111.561 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -173.32 4.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.0 -168.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.11 164.3 13.12 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.718 0.807 . . . . 0.0 110.665 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.44 -33.72 71.63 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.175 0.99 . . . . 0.0 112.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 47' ' ' ILE . 90.4 m-20 -69.98 -47.21 63.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.289 0.635 . . . . 0.0 110.299 177.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.93 73.29 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.79 0.836 . . . . 0.0 111.403 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.27 87.02 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.878 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.09 87.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.428 0.691 . . . . 0.0 111.572 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' ASN . 50.9 mm -63.79 -55.96 19.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.219 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.72 -24.78 65.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.919 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.46 79.27 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.955 0.502 . . . . 0.0 110.104 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.92 -33.54 73.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.315 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 28.4 mm-40 -64.07 -48.81 74.75 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.424 0.452 . . . . 0.0 110.893 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.83 -29.55 69.5 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.553 0.741 . . . . 0.0 111.287 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -68.91 -51.94 34.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.162 0.585 . . . . 0.0 110.869 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.85 -29.92 66.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.361 0.664 . . . . 0.0 111.953 -171.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.9 pt -88.98 -9.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.989 0.516 . . . . 0.0 111.227 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.7 OUTLIER 63.06 47.6 4.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.568 1.147 . . . . 0.0 109.979 178.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.63 168.84 10.42 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.345 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -58.44 105.43 0.29 Allowed 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.563 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.9 tp -83.93 140.44 31.94 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.834 175.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.239 0.501 0 C-N-CA 123.239 0.615 . . . . 0.0 109.84 -178.69 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 120.923 0.392 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.29 83.91 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.989 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.95 79.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.438 0.695 . . . . 0.0 111.155 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.89 -46.34 85.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.629 0.772 . . . . 0.0 110.775 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.586 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.4 m-70 -68.4 -34.1 75.43 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.536 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -45.41 73.58 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.496 0.718 . . . . 0.0 110.293 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.08 -34.54 57.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.103 0.961 . . . . 0.0 110.095 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.42 -38.73 81.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.077 0.951 . . . . 0.0 111.218 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 94.9 mtt180 -69.79 -45.18 68.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.242 0.617 . . . . 0.0 110.125 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -61.27 -39.73 91.49 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.536 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.89 -48.96 78.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.273 0.629 . . . . 0.0 110.314 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -65.1 -22.62 66.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.216 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -73.3 -42.66 62.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.902 0.481 . . . . 0.0 111.602 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.521 HD21 HD12 ' A' ' 52' ' ' LEU . 3.4 mm? -78.86 -29.79 44.76 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.263 0.483 . . . . 0.0 112.094 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -84.19 -60.94 1.94 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.49 -40.38 9.91 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.637 0.775 . . . . 0.0 111.209 -172.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -120.75 6.89 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.029 -174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -158.43 14.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.242 0.617 . . . . 0.0 110.865 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.11 -57.84 4.97 Favored Glycine 0 C--N 1.346 1.112 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -174.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.33 108.69 0.4 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.672 1.189 . . . . 0.0 111.569 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -35.92 46.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.565 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.97 56.03 2.98 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.134 0.968 . . . . 0.0 109.365 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.537 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.2 t -100.64 137.37 39.14 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.619 -173.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -84.4 52.31 2.32 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.658 0.742 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -159.89 113.76 2.23 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.295 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.63 -24.84 61.11 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.545 0.738 . . . . 0.0 110.945 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 52' ' ' LEU . 64.5 m-85 -88.49 49.9 1.87 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 0.0 109.247 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.84 129.74 15.28 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.221 1.009 . . . . 0.0 108.754 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.54 160.78 31.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.863 0.465 . . . . 0.0 110.888 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 t 69.45 2.62 3.81 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.668 1.187 . . . . 0.0 111.594 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 45.9 m -95.46 144.24 27.48 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.12 0.568 . . . . 0.0 109.553 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.95 -22.76 35.4 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.879 2.386 . . . . 0.0 112.354 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -84.07 -6.84 59.48 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.339 1.056 . . . . 0.0 112.091 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -86.34 156.74 20.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.211 1.004 . . . . 0.0 110.434 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.24 123.34 40.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 169.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -59.36 154.51 16.63 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.036 0.934 . . . . 0.0 112.215 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.2 ptp -155.29 172.41 18.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.88 0.872 . . . . 0.0 109.602 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.18 159.32 33.21 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.071 0.549 . . . . 0.0 109.767 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -68.77 -24.56 64.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.74 0.416 . . . . 0.0 110.489 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -73.9 -40.09 63.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.521 0.728 . . . . 0.0 110.373 175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.29 69.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.274 0.63 . . . . 0.0 110.593 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.52 -28.79 63.08 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.28 1.032 . . . . 0.0 110.647 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.31 -43.77 66.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.328 0.651 . . . . 0.0 110.85 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.41 -45.69 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.224 0.61 . . . . 0.0 110.169 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB3' ' HG ' ' A' ' 17' ' ' LEU . 18.8 tptm -70.86 -27.92 64.19 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.676 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.39 94.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.462 0.705 . . . . 0.0 110.575 171.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.79 -30.71 69.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.822 0.701 . . . . 0.0 111.904 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.56 -48.79 71.2 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.936 0.398 . . . . 0.0 110.347 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 30' ' ' PHE . 63.1 mt -69.22 -27.78 65.77 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.92 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.26 -48.23 62.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.184 0.594 . . . . 0.0 110.942 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -35.23 75.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.802 0.441 . . . . 0.0 111.502 -174.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -84.24 -16.37 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 122.823 0.449 . . . . 0.0 111.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.77 68.25 0.87 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.723 1.209 . . . . 0.0 109.732 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.98 -170.78 3.26 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.874 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -59.8 102.35 0.15 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.17 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.57 127.85 45.66 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 170.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 CA--C 1.539 0.521 0 CA-C-O 121.988 0.899 . . . . 0.0 109.427 177.695 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.958 0 CA-C-O 119.861 -0.114 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.79 71.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.019 0.928 . . . . 0.0 112.179 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.68 92.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.28 0.632 . . . . 0.0 110.395 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 10' ' ' ILE . 37.1 ttpt -75.87 -27.51 57.79 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.909 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.3 m170 -66.0 -35.37 80.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.961 0.504 . . . . 0.0 110.339 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -38.95 64.41 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.967 0.907 . . . . 0.0 110.358 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 7' ' ' LYS . 98.0 mt -57.34 -43.01 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.875 0.734 . . . . 0.0 109.507 168.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.77 -29.03 65.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.155 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 11.2 mmt180 -66.47 -43.57 85.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.356 0.662 . . . . 0.0 110.165 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -70.13 -41.72 73.53 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.871 0.732 . . . . 0.0 111.135 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -59.44 -45.26 92.07 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.315 0.646 . . . . 0.0 110.422 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -67.88 -27.04 66.32 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.282 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 29.0 tt0 -75.01 -38.4 61.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.932 0.493 . . . . 0.0 110.918 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 52' ' ' LEU . 2.3 mm? -75.15 -24.97 58.02 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 118.258 0.481 . . . . 0.0 111.749 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.6 p -93.28 -57.43 2.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.516 0.327 . . . . 0.0 111.116 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -91.05 -62.17 1.51 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.598 0.759 . . . . 0.0 110.205 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.25 -115.44 2.76 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.594 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -156.81 -0.93 0.12 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.83 -34.13 3.0 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.693 -0.504 . . . . 0.0 114.148 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.71 128.56 37.79 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.801 0.84 . . . . 0.0 110.743 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.54 -71.68 0.13 Allowed 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.345 1.028 . . . . 0.0 111.166 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.92 82.96 7.37 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.381 0.61 . . . . 0.0 109.667 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.5 t -110.16 108.16 18.22 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.382 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -90.1 61.67 5.26 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.218 1.008 . . . . 0.0 110.343 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -139.03 108.47 6.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.648 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -21.2 65.64 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.841 1.256 . . . . 0.0 112.153 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -88.0 24.89 1.69 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.117 0.967 . . . . 0.0 111.303 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -147.92 138.48 23.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.229 0.611 . . . . 0.0 110.05 -171.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.09 156.94 24.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.463 0.705 . . . . 0.0 110.644 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 t 69.31 4.75 4.76 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.887 1.275 . . . . 0.0 111.629 -174.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.0 m -88.59 150.26 45.9 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 123.6 0.76 . . . . 0.0 110.125 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.77 -32.69 56.01 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.845 2.364 . . . . 0.0 112.541 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -88.57 4.42 46.95 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.281 1.032 . . . . 0.0 112.607 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -95.01 126.88 40.66 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 110.98 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.47 140.12 31.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 165.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.02 152.89 43.09 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.764 0.792 . . . . 0.0 111.407 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 ptm -154.71 147.3 24.18 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.647 -169.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.75 178.2 7.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.038 0.535 . . . . 0.0 111.229 -174.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.82 -32.94 74.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.571 0.749 . . . . 0.0 112.765 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -71.69 -45.69 61.08 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.837 0.455 . . . . 0.0 110.265 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.92 89.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.468 0.48 . . . . 0.0 110.71 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.64 73.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.977 0.911 . . . . 0.0 111.146 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.05 42.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.524 0.73 . . . . 0.0 111.195 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.2 mm -61.27 -46.24 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.711 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HE2' HD21 ' A' ' 52' ' ' LEU . 20.3 tptm -65.18 -31.86 73.26 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.84 0.712 . . . . 0.0 110.748 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.238 0.615 . . . . 0.0 111.008 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.89 -42.07 81.78 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 124.115 0.884 . . . . 0.0 111.488 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 30.2 mm-40 -62.61 -48.17 80.58 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.046 0.538 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 17' ' ' LEU . 86.2 mt -71.74 -26.63 62.54 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.431 -177.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -67.96 -51.45 47.29 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 123.436 0.46 . . . . 0.0 110.045 175.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -72.25 -30.3 64.74 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 122.671 0.388 . . . . 0.0 111.631 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.5 pt -87.45 -13.77 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 122.676 0.39 . . . . 0.0 110.847 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.81 64.52 1.28 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.592 1.157 . . . . 0.0 110.439 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -174.89 4.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.188 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -65.74 106.48 1.51 Allowed 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.709 0.804 . . . . 0.0 110.6 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.7 133.07 53.54 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.854 0.862 . . . . 0.0 108.847 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.471 0.598 0 C-N-CA 123.529 0.731 . . . . 0.0 110.363 179.427 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 119.644 -0.217 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.58 90.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.502 0.721 . . . . 0.0 111.696 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.5 64.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.904 0.882 . . . . 0.0 111.707 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -73.69 -29.95 62.59 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.478 0.711 . . . . 0.0 110.264 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.552 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 22.1 m170 -72.37 -32.62 66.6 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.389 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -46.32 86.87 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.01 -38.93 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.157 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.17 -32.08 73.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.243 1.017 . . . . 0.0 111.105 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 9.1 mmm180 -68.87 -46.25 68.93 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -64.35 -37.73 88.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.812 0.695 . . . . 0.0 111.308 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -66.73 -49.13 67.02 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.587 0.755 . . . . 0.0 109.795 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -59.44 -37.55 78.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.288 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.44 -41.99 92.89 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.659 0.784 . . . . 0.0 110.221 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.67 -50.24 16.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.506 0.722 . . . . 0.0 111.501 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.0 p -74.71 -60.81 2.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.732 0.413 . . . . 0.0 111.266 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -83.72 -49.32 9.24 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.514 0.725 . . . . 0.0 110.927 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 -121.75 7.18 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.589 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 12.0 p -156.45 0.12 0.13 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.46 -34.49 3.29 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.435 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.3 t-20 -56.02 115.28 2.33 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.266 1.026 . . . . 0.0 111.918 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.66 -45.15 79.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.441 1.096 . . . . 0.0 111.495 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.09 45.17 1.07 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.77 0.828 . . . . 0.0 109.83 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 54.0 t -77.36 131.33 38.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.127 -175.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.9 p -87.51 -35.62 18.08 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.257 1.023 . . . . 0.0 112.691 -173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -65.32 114.78 5.0 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.327 1.051 . . . . 0.0 111.526 -170.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -22.15 66.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.51 0.724 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.8 26.9 1.42 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.859 0.863 . . . . 0.0 111.251 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 t -142.07 139.77 32.37 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.784 0.434 . . . . 0.0 109.996 -172.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.88 159.44 32.83 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.314 0.645 . . . . 0.0 110.064 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 t 71.18 11.1 6.85 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.076 1.351 . . . . 0.0 111.043 -170.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 50.0 m -101.98 137.44 19.5 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 123.723 0.809 . . . . 0.0 108.865 167.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 -26.62 27.78 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.825 2.35 . . . . 0.0 112.229 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 p -83.89 -13.2 54.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.125 0.97 . . . . 0.0 111.924 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.51 136.16 44.08 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.823 0.344 . . . . 0.0 110.289 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -101.01 124.13 46.26 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.4 0.68 . . . . 0.0 109.187 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -70.16 90.53 0.67 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.074 0.95 . . . . 0.0 111.709 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptp -78.82 158.71 28.11 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.089 170.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.56 171.26 14.94 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.774 0.43 . . . . 0.0 110.304 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -61.6 -35.43 77.84 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.311 0.644 . . . . 0.0 112.162 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -73.57 -38.43 65.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.767 0.427 . . . . 0.0 110.248 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.33 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.202 0.601 . . . . 0.0 110.393 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.59 -26.27 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.84 0.856 . . . . 0.0 111.146 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.58 61.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.26 0.624 . . . . 0.0 110.64 174.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.26 -44.58 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.916 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -73.46 -23.85 60.14 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.847 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.27 92.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.0 110.509 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.53 -40.06 85.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.351 0.661 . . . . 0.0 111.243 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.69 -46.19 83.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.189 0.596 . . . . 0.0 111.299 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.38 -30.61 69.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.645 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.05 -53.83 43.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.148 0.579 . . . . 0.0 110.629 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -68.56 -29.33 67.86 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 pt -87.54 -6.4 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 55.59 60.46 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.237 1.015 . . . . 0.0 110.235 -173.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.3 165.3 24.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.153 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.77 112.52 2.57 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.598 174.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 59' ' ' LEU . 14.0 mt -84.1 150.92 25.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.651 168.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.5 t . . . . . 0 CA--C 1.539 0.543 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.269 -177.321 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.1 84.64 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.496 0.718 . . . . 0.0 111.279 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.97 86.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.245 1.018 . . . . 0.0 111.74 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.61 -50.62 71.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.124 0.89 . . . . 0.0 110.182 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 15.8 m-70 -57.21 -39.21 74.97 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.201 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.32 -33.62 76.26 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.403 1.065 . . . . 0.0 111.785 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.79 -45.4 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 174.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.47 -27.52 68.56 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 123.67 0.606 . . . . 0.0 111.75 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.9 mmp_? -67.9 -55.34 13.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.989 0.515 . . . . 0.0 110.616 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -66.76 -34.64 78.29 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.8 0.688 . . . . 0.0 111.514 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.21 -52.73 62.62 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.343 0.657 . . . . 0.0 110.657 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -66.62 -24.34 66.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.71 0.804 . . . . 0.0 110.324 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -70.15 -40.58 74.66 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.075 0.95 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.82 -39.0 31.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -81.8 -59.44 2.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.093 0.557 . . . . 0.0 110.996 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -92.32 -42.63 9.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.333 0.653 . . . . 0.0 110.273 -171.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.81 -154.11 21.13 Favored Glycine 0 C--N 1.341 0.827 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.142 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -123.75 3.45 8.85 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.303 0.641 . . . . 0.0 111.76 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -50.0 4.33 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 122.913 0.292 . . . . 0.0 113.086 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -52.54 111.58 0.67 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.401 1.481 . . . . 0.0 111.843 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.6 -30.64 63.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.557 0.743 . . . . 0.0 111.401 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.73 1.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.9 0.88 . . . . 0.0 110.47 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 30.4 t -85.47 128.68 34.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.475 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -88.22 24.52 1.85 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.213 0.605 . . . . 0.0 112.079 -174.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.03 112.34 15.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.582 0.753 . . . . 0.0 109.395 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.14 -25.26 63.38 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.432 0.693 . . . . 0.0 112.103 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -89.63 45.93 1.32 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.447 1.099 . . . . 0.0 110.072 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.31 131.6 10.29 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.005 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 163.47 20.88 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 166.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m 75.86 2.81 3.74 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.092 1.357 . . . . 0.0 110.901 -165.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 61.9 m -107.48 130.42 22.85 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 123.364 0.666 . . . . 0.0 109.362 174.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.55 -30.84 93.43 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.196 2.597 . . . . 0.0 112.386 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -78.28 -3.36 42.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.464 0.706 . . . . 0.0 112.786 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -88.11 123.54 32.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.812 0.445 . . . . 0.0 110.638 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -84.15 121.11 27.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.82 122.63 16.92 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.743 0.417 . . . . 0.0 110.894 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 ptp -110.4 161.64 15.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.336 1.054 . . . . 0.0 109.869 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.96 165.64 19.62 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.424 0.69 . . . . 0.0 110.231 172.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.66 -31.97 72.33 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.158 0.583 . . . . 0.0 110.538 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.88 -48.03 82.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.303 0.641 . . . . 0.0 110.457 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.8 71.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.632 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -23.96 47.19 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.068 0.947 . . . . 0.0 111.118 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.61 52.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.21 0.604 . . . . 0.0 109.927 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.84 -50.04 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -67.93 -24.21 65.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.948 0.499 . . . . 0.0 110.235 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.34 -32.42 71.5 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.106 0.879 . . . . 0.0 111.597 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.98 -49.94 66.06 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.832 0.453 . . . . 0.0 110.361 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.52 -30.08 69.65 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.549 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.2 -50.6 45.97 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.006 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.07 -30.82 69.22 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.904 0.482 . . . . 0.0 111.309 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -85.41 -15.84 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.757 0.423 . . . . 0.0 111.115 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.55 66.06 1.06 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.646 1.179 . . . . 0.0 110.024 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.35 -175.58 4.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 114.908 -1.042 . . . . 0.0 112.055 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.01 129.14 38.92 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.525 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 12' ' ' ARG . 52.2 tp -121.04 145.31 47.91 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.222 0.609 . . . . 0.0 109.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.5 m . . . . . 0 C--O 1.243 0.756 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.712 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.34 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.88 82.56 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.695 0.798 . . . . 0.0 111.807 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.41 70.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.078 0.951 . . . . 0.0 109.746 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.52 -37.38 80.97 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.575 1.172 . . . . 0.0 110.831 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 26.8 m170 -70.19 -39.16 75.37 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.904 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.4 -40.81 77.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.351 0.66 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.87 -40.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.626 0.77 . . . . 0.0 109.339 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.46 -40.56 95.93 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.055 0.942 . . . . 0.0 109.879 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.2 mmp_? -64.88 -46.19 82.84 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.393 0.677 . . . . 0.0 111.543 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -71.6 -37.37 70.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.681 0.613 . . . . 0.0 110.887 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -66.54 -39.95 88.83 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.611 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.78 -36.39 84.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.906 1.283 . . . . 0.0 109.188 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.19 -44.33 84.24 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.745 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.3 mm? -68.7 -39.09 80.67 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.997 0.519 . . . . 0.0 112.014 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -85.26 -58.06 2.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.143 0.497 . . . . 0.0 111.652 -172.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.53 -61.64 1.6 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.632 0.773 . . . . 0.0 110.522 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.34 -114.92 4.11 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -158.92 1.06 0.09 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.32 -52.08 4.28 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 122.816 0.246 . . . . 0.0 113.601 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.18 110.15 1.15 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.172 0.989 . . . . 0.0 111.856 -173.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -38.99 59.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.018 1.327 . . . . 0.0 112.795 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.01 68.66 9.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.785 0.803 . . . . 0.0 109.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.6 t -133.38 107.44 8.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.7 p -92.87 70.46 4.69 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.258 1.027 . . . . 0.0 109.372 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -141.03 106.7 5.1 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.255 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.572 1.149 . . . . 0.0 112.48 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -86.35 -2.97 58.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.81 0.844 . . . . 0.0 111.862 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 16.6 t -110.86 130.51 55.56 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.382 1.073 . . . . 0.0 109.262 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -74.03 153.33 39.72 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.394 0.678 . . . . 0.0 111.398 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m 71.74 3.44 4.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.349 1.459 . . . . 0.0 112.353 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 64.0 m -85.08 148.17 49.77 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -60.92 -35.77 86.51 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.755 2.303 . . . . 0.0 111.961 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -75.96 -11.36 59.95 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.067 0.947 . . . . 0.0 112.72 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -85.69 137.48 32.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.403 0.681 . . . . 0.0 110.24 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -114.88 148.89 38.0 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.59 126.45 29.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.914 0.886 . . . . 0.0 110.88 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.504 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -106.53 172.18 6.95 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.784 1.233 . . . . 0.0 110.854 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -89.54 165.74 14.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 168.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -64.46 -37.28 86.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.147 0.579 . . . . 0.0 111.346 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.71 -48.86 78.83 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.83 71.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.643 0.777 . . . . 0.0 111.865 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -69.45 -42.16 75.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 0.0 110.895 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 -46.2 70.42 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.85 0.719 . . . . 0.0 111.462 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.9 mm -60.77 -49.24 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.705 0.628 . . . . 0.0 109.559 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 tptm -62.53 -38.02 88.36 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.807 0.692 . . . . 0.0 110.947 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.31 86.87 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.542 0.737 . . . . 0.0 111.057 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.34 -30.51 60.28 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 35.9 mm-40 -61.86 -48.47 80.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.18 0.592 . . . . 0.0 109.803 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 61.5 mt -73.63 -31.3 63.46 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.235 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.28 -47.51 82.06 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.931 0.769 . . . . 0.0 111.038 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 51' ' ' GLU . 64.5 pttt -75.02 -33.73 61.83 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.144 0.278 . . . . 0.0 111.349 -173.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 pt -87.84 -14.58 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 122.709 0.404 . . . . 0.0 111.513 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 58.79 64.5 1.42 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.54 1.136 . . . . 0.0 110.187 -175.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.69 178.07 7.62 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.38 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -57.83 95.66 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.201 1.001 . . . . 0.0 110.413 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 12' ' ' ARG . 55.9 tp -87.45 124.85 33.87 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.496 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.9 t . . . . . 0 C--O 1.241 0.618 0 O-C-N 123.955 0.785 . . . . 0.0 109.721 -173.69 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.74 83.09 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.718 0.807 . . . . 0.0 112.28 -176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . . . -70.53 -36.94 74.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.876 0.871 . . . . 0.0 111.256 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -70.91 -40.19 72.28 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.045 0.938 . . . . 0.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -61.93 -35.04 77.22 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.8 0.688 . . . . 0.0 110.595 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.42 -37.54 71.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.087 0.867 . . . . 0.0 111.066 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' ALA . 84.7 mt -64.16 -40.01 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.11 85.72 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.078 0.951 . . . . 0.0 110.925 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 4.1 mmp_? -60.36 -50.59 73.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.324 0.649 . . . . 0.0 110.116 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -69.96 -41.39 74.57 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.146 0.904 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.49 -52.64 64.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.242 0.544 . . . . 0.0 110.74 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 51.9 m80 -72.7 -19.29 61.43 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -66.62 -42.82 86.22 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 122.456 0.302 . . . . 0.0 110.772 167.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 52' ' ' LEU . 2.6 mm? -79.13 -25.93 42.88 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 119.047 -0.501 . . . . 0.0 112.23 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 15' ' ' HIS . 80.6 p -93.17 -57.52 2.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.256 0.48 . . . . 0.0 111.424 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.57 -44.56 10.01 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.338 0.655 . . . . 0.0 110.124 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . 93.16 -108.93 3.73 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.208 -172.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -154.35 1.3 0.21 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.873 0.869 . . . . 0.0 111.593 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.25 -40.5 2.37 Favored Glycine 0 C--N 1.356 1.663 0 CA-C-O 120.003 -0.332 . . . . 0.0 113.688 -174.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -52.6 113.93 1.23 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.126 1.37 . . . . 0.0 111.626 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.18 -36.76 74.86 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 124.027 0.829 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.31 46.78 1.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.812 0.845 . . . . 0.0 110.174 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.571 ' HG ' ' HG ' ' A' ' 34' ' ' CYS . 39.7 t -75.41 162.65 28.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.484 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -137.88 72.34 1.41 Allowed 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 122.102 0.953 . . . . 0.0 110.787 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -164.05 124.49 2.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.004 0.922 . . . . 0.0 108.67 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -67.85 -35.2 78.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.368 0.667 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -90.29 77.55 6.63 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.7 t -168.31 125.26 1.06 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.578 0.351 . . . . 0.0 110.112 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -70.67 161.16 31.27 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.318 0.647 . . . . 0.0 110.102 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 m 64.56 14.1 8.71 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 123.596 0.758 . . . . 0.0 111.379 -174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.571 ' HG ' ' HG ' ' A' ' 26' ' ' CYS . 23.1 m -115.81 141.13 27.04 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 123.732 0.813 . . . . 0.0 109.248 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -19.01 46.43 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.013 2.475 . . . . 0.0 112.711 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.7 p -75.95 -7.54 54.82 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.97 0.908 . . . . 0.0 112.026 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HZ ' ' HG2' ' A' ' 40' ' ' MET . 82.6 t80 -123.62 129.27 50.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.484 0.714 . . . . 0.0 110.666 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.11 132.81 35.81 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 170.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 30.2 mmt180 -56.96 146.1 28.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.09 0.956 . . . . 0.0 113.251 -172.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.422 ' HG2' ' HZ ' ' A' ' 37' ' ' PHE . 19.9 ptp -132.56 154.65 49.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.94 171.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.15 167.37 20.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.887 0.475 . . . . 0.0 110.476 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -68.49 -26.16 65.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.377 0.671 . . . . 0.0 112.502 -171.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -72.12 -46.07 58.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.196 0.599 . . . . 0.0 109.66 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.59 74.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.46 61.49 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.413 1.085 . . . . 0.0 111.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.49 68.73 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.344 0.658 . . . . 0.0 110.68 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.3 mm -60.43 -52.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.244 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 52' ' ' LEU . 49.2 tptt -63.34 -26.71 68.88 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.112 0.882 . . . . 0.0 111.201 -176.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.59 64.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.465 0.706 . . . . 0.0 110.488 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 -28.45 63.6 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.882 0.739 . . . . 0.0 112.034 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 26.6 mm-40 -64.79 -52.27 57.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 HD21 ' A' ' 17' ' ' LEU . 89.0 mt -70.21 -26.19 63.75 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.802 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -69.09 -49.9 53.08 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.348 0.405 . . . . 0.0 110.92 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -74.54 -32.39 62.43 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.7 pt -81.18 -14.28 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.282 0.233 . . . . 0.0 110.647 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 56.69 63.09 2.05 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.754 1.221 . . . . 0.0 110.145 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.91 169.07 18.91 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.365 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -61.22 122.82 16.03 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.64 0.733 . . . . 0.0 110.86 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.0 tp -102.2 149.1 24.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.968 0.907 . . . . 0.0 109.009 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.544 0.74 0 CA-C-O 121.616 0.722 . . . . 0.0 110.114 -176.56 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.74 74.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.257 1.023 . . . . 0.0 111.322 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.07 62.24 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.284 1.034 . . . . 0.0 110.123 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.26 -41.69 97.36 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.208 0.942 . . . . 0.0 111.398 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 39.8 m170 -65.97 -42.4 89.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.785 0.678 . . . . 0.0 110.238 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.35 -45.62 90.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.848 0.859 . . . . 0.0 110.765 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.04 -41.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.714 0.805 . . . . 0.0 109.996 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.08 -32.36 71.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.947 0.899 . . . . 0.0 110.825 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 6.3 mmt180 -72.03 -44.17 63.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.247 0.619 . . . . 0.0 109.769 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -65.98 -34.25 77.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -69.97 -55.4 9.71 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.589 0.755 . . . . 0.0 110.187 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -63.22 -24.86 68.07 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.095 0.872 . . . . 0.0 111.133 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.84 -48.64 73.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.104 0.962 . . . . 0.0 110.831 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.09 -44.2 48.69 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.967 0.507 . . . . 0.0 111.575 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 p -77.53 -59.26 2.86 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.608 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -94.45 -37.73 11.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.072 0.549 . . . . 0.0 110.953 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.51 -130.57 10.33 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.614 -171.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 9.2 p -148.24 1.84 0.64 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.765 0.826 . . . . 0.0 112.254 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.52 -33.43 3.91 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 120.001 -0.333 . . . . 0.0 113.129 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 2.9 t-20 -57.71 114.04 2.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.185 0.994 . . . . 0.0 112.019 -177.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.02 -50.98 69.88 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.652 1.181 . . . . 0.0 113.019 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.92 54.43 0.71 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.421 0.688 . . . . 0.0 109.525 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 51.2 t -76.0 138.89 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.751 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -117.97 75.53 1.01 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.328 1.061 . . . . 0.0 110.311 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -147.5 116.29 6.77 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.396 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.49 -32.31 49.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.683 1.193 . . . . 0.0 112.01 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -104.86 74.68 1.14 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.095 0.958 . . . . 0.0 108.602 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.2 t -172.35 138.84 0.96 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 118.458 0.572 . . . . 0.0 111.012 171.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 152.41 42.24 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m 69.85 18.55 7.33 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.939 1.295 . . . . 0.0 111.59 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -112.45 130.68 23.14 Favored Pre-proline 0 C--N 1.351 0.665 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 169.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.85 -22.58 63.23 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.459 2.106 . . . . 0.0 111.779 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -71.14 -23.74 62.13 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.0 1.32 . . . . 0.0 112.417 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -98.58 140.62 32.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.273 0.629 . . . . 0.0 110.486 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.59 147.12 37.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.938 0.895 . . . . 0.0 109.368 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -66.03 138.29 57.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.012 0.925 . . . . 0.0 112.617 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -136.26 159.48 41.61 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.051 0.94 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.83 161.13 31.41 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.435 0.694 . . . . 0.0 110.521 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.36 -25.99 68.21 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.215 0.606 . . . . 0.0 111.498 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.89 -54.49 30.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.781 . . . . 0.0 109.434 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.03 77.36 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.402 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.52 50.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.109 0.964 . . . . 0.0 111.542 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -45.16 68.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.822 0.449 . . . . 0.0 110.537 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.6 mm -61.26 -50.05 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.411 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.2 tptm -67.54 -26.3 66.25 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.864 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.077 0.551 . . . . 0.0 110.688 174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.53 -38.99 91.27 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.785 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 23.9 mm-40 -67.55 -43.49 80.57 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.363 0.415 . . . . 0.0 110.581 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 81.8 mt -70.18 -26.06 63.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.276 0.63 . . . . 0.0 111.101 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.18 -45.65 32.29 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.195 0.31 . . . . 0.0 110.768 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -27.76 63.52 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 pt -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 122.637 0.375 . . . . 0.0 110.127 174.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 57.08 74.89 0.39 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.137 -172.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.3 179.46 7.66 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.37 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -67.85 102.42 1.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 121.912 0.863 . . . . 0.0 109.817 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.46 146.25 27.72 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.939 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.3 t . . . . . 0 N--CA 1.475 0.802 0 C-N-CA 124.004 0.922 . . . . 0.0 109.908 -178.738 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 120.401 0.143 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.71 -28.54 66.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.028 0.531 . . . . 0.0 111.264 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.63 78.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.004 0.922 . . . . 0.0 110.607 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 87.5 tttt -70.0 -34.02 72.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.529 0.732 . . . . 0.0 110.142 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t-160 -73.79 -24.79 59.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.537 175.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -33.74 54.82 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 7' ' ' LYS . 96.6 mt -63.01 -37.57 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.27 -29.36 68.96 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.435 1.094 . . . . 0.0 110.953 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 7.3 mmm180 -64.44 -44.47 91.05 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.02 -31.32 62.87 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.681 0.792 . . . . 0.0 112.089 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -72.26 -43.91 63.63 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -63.88 -36.01 82.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.442 1.089 . . . . 0.0 109.782 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.16 -30.67 71.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.166 0.987 . . . . 0.0 111.441 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.73 -51.71 6.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.805 0.442 . . . . 0.0 111.847 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.8 p -77.2 -39.68 47.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.962 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -103.46 -41.88 5.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.419 0.688 . . . . 0.0 110.37 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -128.11 9.41 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.09 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 p -153.83 16.02 0.5 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.822 0.449 . . . . 0.0 111.896 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.99 -32.89 2.68 Favored Glycine 0 C--N 1.354 1.532 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -56.63 113.6 1.7 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.215 1.006 . . . . 0.0 111.256 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.96 -25.25 57.65 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.946 0.898 . . . . 0.0 112.672 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.09 71.55 1.44 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 123.65 0.78 . . . . 0.0 109.952 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 42.2 t -80.85 142.31 33.76 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.74 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.3 p -110.45 62.43 0.6 Allowed 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.471 0.653 . . . . 0.0 110.833 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -152.18 114.47 4.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 -21.71 64.07 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.555 0.742 . . . . 0.0 111.961 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -90.12 29.83 1.17 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.205 1.002 . . . . 0.0 111.296 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -154.91 142.16 19.45 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 122.115 -0.366 . . . . 0.0 111.837 -171.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.08 22.23 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 165.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m 75.67 4.2 3.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.71 1.204 . . . . 0.0 110.07 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.0 m -102.01 141.12 21.9 Favored Pre-proline 0 C--N 1.353 0.725 0 C-N-CA 124.306 1.042 . . . . 0.0 109.537 174.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 12.1 Cg_exo -68.77 -22.59 36.79 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.804 2.336 . . . . 0.0 111.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.1 p -86.08 -10.53 54.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.187 0.995 . . . . 0.0 112.405 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -85.77 144.18 27.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.763 0.425 . . . . 0.0 110.328 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.1 tp -120.77 139.11 53.58 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -69.15 151.06 46.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.103 0.954 . . . . 0.0 111.818 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -139.86 178.98 6.86 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 113.65 -1.613 . . . . 0.0 109.511 -169.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -81.4 156.34 25.46 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.387 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -35.83 77.36 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.508 0.723 . . . . 0.0 112.095 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -74.11 -31.48 62.8 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.032 0.533 . . . . 0.0 110.561 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.04 80.27 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.787 0.435 . . . . 0.0 110.003 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.71 68.85 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.571 0.749 . . . . 0.0 110.867 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.0 66.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.353 0.661 . . . . 0.0 110.978 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.5 mm -63.76 -48.49 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.277 0.631 . . . . 0.0 109.598 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.0 tptm -66.49 -32.07 73.2 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.628 0.58 . . . . 0.0 110.76 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.15 87.85 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.029 0.532 . . . . 0.0 110.932 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.66 -37.3 76.65 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.944 0.777 . . . . 0.0 111.126 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 14.4 mm-40 -62.96 -40.01 96.41 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.47 0.481 . . . . 0.0 110.006 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 44.8 mt -73.47 -35.3 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.412 0.685 . . . . 0.0 110.84 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.72 -40.71 76.09 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.941 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -73.66 -36.19 65.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 122.309 0.244 . . . . 0.0 110.847 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.9 pt -86.03 -12.35 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.636 0.374 . . . . 0.0 111.526 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m120 59.15 65.65 1.16 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.294 1.038 . . . . 0.0 109.252 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 178.3 4.12 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.707 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.38 94.44 0.08 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.32 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 36.1 tp -88.31 115.5 25.85 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 -172.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.4 m . . . . . 0 C--O 1.243 0.716 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.017 171.707 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 110.711 -0.107 . . . . 0.0 110.711 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.3 96.81 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.577 0.751 . . . . 0.0 110.588 172.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.48 85.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 124.058 0.849 . . . . 0.0 110.571 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.93 -38.1 81.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.379 1.072 . . . . 0.0 110.988 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.82 -33.96 64.38 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.602 0.564 . . . . 0.0 110.811 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.13 -41.96 73.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.407 0.683 . . . . 0.0 110.288 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 98.3 mt -65.01 -36.1 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 123.344 0.658 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.83 -44.39 96.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.16 0.984 . . . . 0.0 110.366 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.6 mmp_? -64.64 -46.81 80.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -71.57 -37.41 71.04 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.369 0.667 . . . . 0.0 111.88 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.72 -51.08 37.46 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.072 0.549 . . . . 0.0 110.095 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -59.95 -31.24 69.68 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.318 1.011 . . . . 0.0 110.459 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -63.46 -41.55 98.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.54 0.736 . . . . 0.0 111.275 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 48' ' ' LYS . 52.1 mt -81.84 -36.71 27.99 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.3 p -84.18 -56.07 3.85 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.323 0.649 . . . . 0.0 110.921 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -100.73 -30.78 11.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.035 0.934 . . . . 0.0 111.725 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.36 -130.66 10.4 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -172.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -155.61 18.06 0.39 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.571 0.748 . . . . 0.0 110.842 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -55.88 1.64 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 122.817 0.246 . . . . 0.0 112.915 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -70.61 116.53 11.04 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.136 0.574 . . . . 0.0 111.438 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.45 -47.71 75.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.941 0.896 . . . . 0.0 111.025 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.22 65.18 6.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.796 0.839 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.712 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.6 t -111.91 123.4 50.17 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.446 1.098 . . . . 0.0 109.051 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -85.88 69.0 10.53 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.972 1.367 . . . . 0.0 109.608 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -148.4 115.28 6.06 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.813 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.98 -16.15 60.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.108 0.963 . . . . 0.0 112.25 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -115.8 82.52 1.78 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.729 1.212 . . . . 0.0 108.677 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -167.9 123.16 1.01 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.37 46.88 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.165 0.438 . . . . 0.0 110.526 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.7 t 69.79 11.36 7.8 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.802 1.314 . . . . 0.0 111.428 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.712 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m -109.41 136.36 20.22 Favored Pre-proline 0 C--N 1.357 0.922 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.45 -19.87 42.52 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.028 2.485 . . . . 0.0 112.036 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.5 p -72.31 -18.14 61.8 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.875 1.27 . . . . 0.0 111.604 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.85 127.56 54.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.885 0.474 . . . . 0.0 111.515 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.09 111.16 22.51 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.24 162.93 16.3 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 122.072 0.939 . . . . 0.0 112.324 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.0 ptp -145.46 171.22 14.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.62 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.84 173.12 12.83 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.695 0.398 . . . . 0.0 110.355 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -35.89 82.36 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.414 0.686 . . . . 0.0 112.629 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -73.64 -39.28 64.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.9 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.59 64.1 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.028 0.931 . . . . 0.0 111.049 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.04 45.93 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.407 0.683 . . . . 0.0 110.634 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -60.69 -46.63 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.967 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 20.2 tptp -63.46 -37.51 87.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.346 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.99 99.59 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.685 0.794 . . . . 0.0 111.069 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.17 -30.73 67.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.033 0.833 . . . . 0.0 111.482 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.14 -41.87 80.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.527 0.331 . . . . 0.0 110.64 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 48.8 mt -70.86 -27.44 63.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.235 0.614 . . . . 0.0 110.925 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.74 -49.96 54.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.888 0.875 . . . . 0.0 110.355 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -36.19 65.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 0.0 112.267 -173.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 57' ' ' ALA . 20.3 pt -82.98 -20.76 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 122.808 0.443 . . . . 0.0 110.931 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.7 t30 60.47 74.05 0.46 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.753 1.221 . . . . 0.0 109.66 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 55' ' ' ILE . . . -82.68 -170.92 3.22 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.381 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.81 127.91 34.28 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.119 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 12' ' ' ARG . 46.5 tp -120.45 140.27 51.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.121 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.5 m . . . . . 0 C--O 1.24 0.595 0 C-N-CA 124.355 1.062 . . . . 0.0 108.216 172.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.82 97.8 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.328 0.651 . . . . 0.0 110.724 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.86 53.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.228 1.011 . . . . 0.0 111.1 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -58.08 -51.03 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.924 0.89 . . . . 0.0 111.485 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.561 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.5 m170 -70.26 -28.03 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -50.37 70.53 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.089 0.555 . . . . 0.0 109.882 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -58.58 -41.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.472 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.91 -36.45 83.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.345 1.058 . . . . 0.0 111.293 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HB3' HD21 ' A' ' 59' ' ' LEU . 64.0 mtm180 -72.74 -35.85 67.62 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.489 0.493 . . . . 0.0 110.61 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -69.75 -39.39 76.78 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.828 0.705 . . . . 0.0 110.962 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -66.91 -44.7 80.09 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.633 0.773 . . . . 0.0 109.806 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -64.92 -34.33 78.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.185 0.994 . . . . 0.0 110.506 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 43.5 tt0 -66.94 -33.58 75.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.432 1.093 . . . . 0.0 110.907 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.4 -35.83 27.3 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.631 0.372 . . . . 0.0 111.898 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -85.6 -60.88 1.89 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.245 0.618 . . . . 0.0 111.728 -174.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -92.27 -35.42 13.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.38 0.672 . . . . 0.0 110.903 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 16' ' ' GLN . . . 92.11 -110.88 3.95 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.59 12.18 0.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.923 0.889 . . . . 0.0 109.794 170.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -44.55 3.15 Favored Glycine 0 C--N 1.359 1.81 0 N-CA-C 114.109 0.404 . . . . 0.0 114.109 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -69.71 134.66 48.9 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.071 0.949 . . . . 0.0 111.974 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.9 -34.74 51.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.082 0.953 . . . . 0.0 111.356 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.47 4.91 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.247 1.019 . . . . 0.0 110.156 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 14.0 t -120.39 126.01 49.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.327 1.051 . . . . 0.0 110.26 -173.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -91.55 37.45 0.96 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.792 0.837 . . . . 0.0 110.987 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 49.6 t-20 -127.37 113.25 16.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.13 -19.54 53.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.159 0.983 . . . . 0.0 112.195 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -92.96 37.92 1.03 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.051 0.94 . . . . 0.0 109.591 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLN . 51.0 t -143.88 122.71 12.69 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.456 0.302 . . . . 0.0 111.449 -168.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.39 162.25 15.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.579 0.752 . . . . 0.0 111.121 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 m 65.6 8.37 5.09 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.074 0.949 . . . . 0.0 111.967 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 14.6 m -110.73 140.91 23.09 Favored Pre-proline 0 C--N 1.359 0.982 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.45 -14.22 36.7 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.812 2.341 . . . . 0.0 112.575 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.5 p -88.84 10.73 20.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.573 1.149 . . . . 0.0 111.804 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -112.2 132.14 55.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.566 0.746 . . . . 0.0 110.803 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.81 126.3 35.98 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -67.08 152.55 45.56 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.775 0.83 . . . . 0.0 111.285 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.35 176.06 9.03 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.431 -166.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -91.71 159.51 15.81 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -36.58 79.96 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.975 0.51 . . . . 0.0 111.619 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.41 -40.6 93.59 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.302 0.641 . . . . 0.0 110.438 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.59 81.21 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.315 0.646 . . . . 0.0 110.845 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.603 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -70.56 -34.16 71.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.076 0.95 . . . . 0.0 110.784 177.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -48.65 64.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.183 0.593 . . . . 0.0 110.348 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.66 -50.48 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.767 0.827 . . . . 0.0 109.97 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 tptm -70.47 -25.65 63.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.986 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.66 98.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.025 0.53 . . . . 0.0 110.529 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.34 -31.79 69.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.569 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.98 -43.67 74.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.683 0.393 . . . . 0.0 110.903 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.6 mt -69.95 -27.4 64.71 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.137 0.575 . . . . 0.0 110.671 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -67.98 -51.67 44.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.506 0.722 . . . . 0.0 111.203 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -30.14 66.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.175 0.59 . . . . 0.0 111.882 -173.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -90.75 -12.96 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.632 0.373 . . . . 0.0 111.236 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 58.42 60.67 2.51 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.746 1.219 . . . . 0.0 110.665 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 173.26 9.74 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.076 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 28' ' ' ASN . 15.6 ptmt -59.66 126.52 27.92 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.447 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 12' ' ' ARG . 4.7 tt -121.01 134.38 55.3 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.958 0.503 . . . . 0.0 110.114 -171.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.9 m . . . . . 0 N--CA 1.478 0.943 0 C-N-CA 123.166 0.587 . . . . 0.0 109.754 172.036 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 120.003 -0.046 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.97 110.02 1.65 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.424 0.69 . . . . 0.0 109.814 176.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 -85.89 97.77 10.4 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.38 -42.55 98.85 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.364 0.666 . . . . 0.0 111.466 -177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.26 -43.28 99.2 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.422 0.689 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.81 -42.03 86.56 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.647 0.779 . . . . 0.0 111.466 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -65.43 -40.87 93.84 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.545 0.738 . . . . 0.0 110.942 -177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.542 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 37.7 m80 -70.97 -33.56 70.56 Favored 'General case' 0 C--O 1.215 -0.749 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.731 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -46.42 88.77 Favored 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.154 0.582 . . . . 0.0 109.555 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.6 mt -60.48 -37.46 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.337 1.055 . . . . 0.0 110.429 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -70.44 -24.95 62.99 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.91 0.884 . . . . 0.0 111.558 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 86.0 mtt180 -77.69 -34.36 52.88 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 122.743 0.417 . . . . 0.0 110.309 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -68.16 -41.65 81.21 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 123.767 0.667 . . . . 0.0 110.215 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -65.0 -41.96 94.93 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.886 0.874 . . . . 0.0 110.085 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -65.66 -36.81 84.75 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.904 0.882 . . . . 0.0 109.59 175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.01 -38.7 86.99 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 124.126 0.892 . . . . 0.0 111.228 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -80.3 -41.36 25.06 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.3 p -78.27 -59.74 2.66 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 118.22 0.464 . . . . 0.0 111.799 -173.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -101.77 -22.02 14.48 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.185 0.594 . . . . 0.0 111.849 -174.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.26 -144.62 17.32 Favored Glycine 0 C--N 1.336 0.561 0 C-N-CA 122.913 0.292 . . . . 0.0 112.85 -174.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.546 ' SG ' ' OD1' ' A' ' 23' ' ' ASN . 20.1 p -131.93 9.38 4.53 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.42 0.688 . . . . 0.0 111.701 177.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.5 -42.14 2.92 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 114.589 0.595 . . . . 0.0 114.589 172.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.546 ' OD1' ' SG ' ' A' ' 21' ' ' CYS . 32.3 p-10 -72.13 138.89 48.04 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.804 0.441 . . . . 0.0 111.815 -173.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.29 -43.69 73.32 Favored 'General case' 0 C--O 1.244 0.779 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.148 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.31 75.79 10.21 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.668 0.747 . . . . 0.0 110.484 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.4 t -134.68 122.4 22.17 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.417 172.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -116.53 69.85 0.75 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 123.144 1.449 . . . . 0.0 108.897 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -127.92 113.6 16.09 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.42 -26.55 68.5 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.348 0.659 . . . . 0.0 111.915 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -87.39 23.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.027 0.931 . . . . 0.0 111.259 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 37' ' ' PHE . 52.6 t -146.84 138.28 24.26 Favored 'General case' 0 C--N 1.348 0.53 0 C-N-CA 122.926 0.491 . . . . 0.0 111.83 -170.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.42 165.32 23.93 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.841 1.256 . . . . 0.0 109.145 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 m 72.14 3.71 4.77 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.74 1.216 . . . . 0.0 111.018 -168.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 24.8 m -109.38 143.78 28.46 Favored Pre-proline 0 C--N 1.354 0.795 0 C-N-CA 124.754 1.221 . . . . 0.0 108.878 175.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -57.15 -32.37 93.18 Favored 'Trans proline' 0 C--N 1.379 2.162 0 C-N-CA 123.325 2.683 . . . . 0.0 113.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.2 p -81.84 1.06 36.62 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 124.61 1.164 . . . . 0.0 113.437 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 31' ' ' CYS . 72.1 t80 -84.08 133.77 34.63 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.279 0.632 . . . . 0.0 111.617 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.3 tt -103.49 127.51 50.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 107.683 -1.228 . . . . 0.0 107.683 169.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -58.7 108.44 0.65 Allowed 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.253 1.021 . . . . 0.0 111.876 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 23.2 ptp -101.95 168.89 9.12 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.044 0.938 . . . . 0.0 110.399 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.96 165.18 25.35 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.987 174.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -71.57 -26.03 62.44 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 122.8 0.44 . . . . 0.0 111.588 177.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -69.12 -44.22 72.83 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.88 -32.32 71.9 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.04 0.936 . . . . 0.0 111.389 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.61 -35.21 75.06 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.141 0.976 . . . . 0.0 110.524 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.75 -35.86 60.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.801 0.841 . . . . 0.0 111.05 177.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -62.97 -49.05 85.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.432 0.693 . . . . 0.0 109.784 174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -74.4 -23.19 58.93 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.45 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.13 -44.68 94.72 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.054 0.541 . . . . 0.0 110.277 170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -68.51 -36.87 79.47 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.01 0.819 . . . . 0.0 112.168 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -62.59 -55.35 27.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 122.658 0.383 . . . . 0.0 110.767 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.61 -27.1 68.15 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.291 0.995 . . . . 0.0 111.505 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -68.74 -53.52 21.42 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.004 0.522 . . . . 0.0 110.932 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -69.88 -35.2 74.47 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 123.611 0.569 . . . . 0.0 110.944 -171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.5 pt -83.24 -17.38 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 122.816 0.446 . . . . 0.0 110.587 177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 57.44 65.73 1.29 Allowed 'General case' 0 C--N 1.362 1.141 0 C-N-CA 124.817 1.247 . . . . 0.0 110.339 -177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.67 -165.97 1.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.416 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -69.95 96.53 1.04 Allowed 'General case' 0 C--O 1.243 0.75 0 C-N-CA 123.323 0.649 . . . . 0.0 110.309 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 54.6 tp -91.27 140.44 29.78 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 63.4 m -94.4 101.86 13.8 Favored 'General case' 0 C--O 1.246 0.872 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 173.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -73.58 140.24 78.46 Favored Pre-proline 0 C--O 1.245 0.832 0 O-C-N 123.504 0.503 . . . . 0.0 109.747 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -77.56 106.98 2.3 Favored 'Trans proline' 0 C--N 1.375 1.945 0 C-N-CA 121.382 1.388 . . . . 0.0 110.176 173.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -123.98 94.79 45.12 Favored Pre-proline 0 N--CA 1.476 0.858 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo . . . . . 0 C--N 1.373 1.86 0 C-N-CA 122.751 2.301 . . . . 0.0 111.925 176.773 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.33 0.11 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -74.62 102.44 4.57 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -70.08 -27.48 64.65 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.336 0.655 . . . . 0.0 110.827 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.43 -47.4 85.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.556 0.742 . . . . 0.0 110.423 172.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.82 -36.81 85.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.745 0.818 . . . . 0.0 111.272 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.62 82.74 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 123.983 0.802 . . . . 0.0 110.807 175.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -69.26 -29.21 67.07 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.595 0.758 . . . . 0.0 112.138 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -69.39 -32.97 72.33 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 123.578 0.549 . . . . 0.0 110.434 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.64 -44.05 44.59 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.499 0.72 . . . . 0.0 110.9 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.6 mt -60.79 -39.35 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.09 0.556 . . . . 0.0 109.768 176.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -56.71 -48.75 77.02 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.508 1.523 . . . . 0.0 111.136 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HE ' HD21 ' A' ' 59' ' ' LEU . 84.7 mtm-85 -74.77 -31.67 61.84 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -174.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -76.21 -40.35 52.41 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 122.992 0.517 . . . . 0.0 110.427 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -58.15 -51.84 68.05 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 124.02 0.928 . . . . 0.0 111.027 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -76.53 -20.94 56.37 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.89 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -62.74 -35.76 80.84 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-O 121.086 0.47 . . . . 0.0 110.527 169.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 48' ' ' LYS . 54.7 mt -89.74 -40.28 12.61 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.417 0.687 . . . . 0.0 112.467 -175.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.6 p -77.41 -53.75 7.27 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.918 0.487 . . . . 0.0 111.106 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -91.81 -50.89 5.49 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-O 121.654 0.74 . . . . 0.0 110.161 -175.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.68 -116.84 5.5 Favored Glycine 0 C--N 1.34 0.756 0 CA-C-N 114.579 -1.191 . . . . 0.0 111.719 -172.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.3 p -156.05 -1.8 0.13 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.02 0.528 . . . . 0.0 112.213 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.43 -33.87 1.8 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-N 118.188 0.449 . . . . 0.0 113.828 -176.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -72.01 125.07 26.31 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.47 1.108 . . . . 0.0 111.18 -172.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.65 -40.31 92.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.411 1.084 . . . . 0.0 111.443 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.11 6.7 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.777 0.831 . . . . 0.0 109.962 178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.8 t -135.74 107.9 7.23 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.1 p -84.81 -5.02 59.32 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.573 1.149 . . . . 0.0 113.432 -172.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.6 t30 -82.84 112.35 19.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.903 0.481 . . . . 0.0 110.589 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -22.18 66.86 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.238 1.015 . . . . 0.0 112.037 176.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -88.53 28.74 1.07 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.71 0.804 . . . . 0.0 111.551 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.0 t -139.75 139.23 36.43 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.338 0.655 . . . . 0.0 109.721 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.76 163.17 28.32 Favored 'General case' 0 C--O 1.247 0.923 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m 73.98 3.54 4.45 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.891 1.276 . . . . 0.0 111.178 -169.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.9 m -101.48 139.33 20.32 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 123.943 0.897 . . . . 0.0 110.03 175.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.52 -39.12 93.46 Favored 'Trans proline' 0 C--N 1.375 1.968 0 C-N-CA 123.551 2.834 . . . . 0.0 113.364 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 52.0 p -89.1 8.16 31.34 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.133 0.973 . . . . 0.0 113.084 -172.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -82.32 139.39 34.16 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.0 0.52 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.3 tp -101.05 118.16 36.45 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 170.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -57.8 125.67 24.04 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 124.006 0.816 . . . . 0.0 112.916 -172.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.0 ptp -133.34 119.94 20.35 Favored 'General case' 0 C--O 1.241 0.654 0 C-N-CA 124.088 0.955 . . . . 0.0 108.438 174.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -91.33 -174.29 3.88 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.647 0.779 . . . . 0.0 110.958 -178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -43.35 -48.52 6.94 Favored 'General case' 0 CA--C 1.562 1.438 0 C-N-CA 125.755 1.622 . . . . 0.0 115.198 -161.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.01 -49.25 47.14 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.444 0.565 . . . . 0.0 110.449 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.96 -31.21 72.0 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 111.949 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.68 -25.77 26.34 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 -175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.27 -47.47 67.62 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.317 0.647 . . . . 0.0 109.99 174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 50.8 mm -59.56 -50.05 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.131 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' HB3' HD13 ' A' ' 17' ' ' LEU . 40.7 tptt -70.13 -22.61 62.98 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.115 -177.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.44 -45.69 89.73 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.17 0.588 . . . . 0.0 110.322 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.69 -39.19 91.0 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.308 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -61.06 -53.6 55.16 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.615 0.766 . . . . 0.0 111.032 178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 79.2 mt -70.28 -22.57 62.85 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.648 0.779 . . . . 0.0 111.439 -177.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -74.04 -50.76 18.28 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 122.545 0.338 . . . . 0.0 110.816 176.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -69.79 -33.17 72.01 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -172.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.9 pt -83.96 -14.66 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.736 0.415 . . . . 0.0 111.207 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER 61.72 60.99 1.5 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.408 1.083 . . . . 0.0 110.16 -175.571 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.18 178.71 7.85 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 114.866 -1.061 . . . . 0.0 111.047 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.64 105.84 1.64 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.742 0.817 . . . . 0.0 111.17 -177.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD21 ' HE ' ' A' ' 12' ' ' ARG . 55.0 tp -87.09 136.05 33.07 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 173.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 23.7 t -85.96 5.72 31.86 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.244 0.618 . . . . 0.0 112.472 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 31.3 t70 -56.16 120.87 37.83 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 123.145 0.578 . . . . 0.0 109.471 177.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.15 108.11 2.08 Favored 'Trans proline' 0 C--N 1.367 1.519 0 C-N-CA 122.363 2.042 . . . . 0.0 111.499 -172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -94.65 160.05 32.25 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 123.902 0.881 . . . . 0.0 109.204 177.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 C--N 1.374 1.909 0 C-N-CA 122.341 2.027 . . . . 0.0 111.131 170.57 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.39 0.138 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -77.3 90.81 3.76 Favored 'General case' 0 C--N 1.355 0.848 0 CA-C-O 121.701 0.762 . . . . 0.0 109.652 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -86.62 -179.39 6.59 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.639 -1.164 . . . . 0.0 110.367 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.24 81.17 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.376 0.671 . . . . 0.0 110.409 174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.42 74.55 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.722 0.809 . . . . 0.0 110.704 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.76 -41.35 92.22 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.796 0.839 . . . . 0.0 111.305 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 1.0 OUTLIER -63.25 -44.3 95.57 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 124.031 0.832 . . . . 0.0 109.537 175.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.489 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 24.9 m170 -61.5 -35.06 76.63 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.003 0.815 . . . . 0.0 111.257 176.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.77 -37.04 73.35 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.951 0.901 . . . . 0.0 110.002 -178.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 82.7 mt -65.23 -38.08 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.671 172.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 36.1 mm-40 -65.59 -30.85 71.64 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.583 0.753 . . . . 0.0 111.783 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.7 mmp_? -66.8 -47.34 72.38 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -67.1 -36.29 81.64 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 124.315 1.009 . . . . 0.0 111.838 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -68.29 -49.83 57.81 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.754 0.422 . . . . 0.0 110.171 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.1 t-80 -64.51 -29.16 70.2 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 123.66 0.784 . . . . 0.0 110.16 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 25.5 tt0 -64.25 -40.22 95.55 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.735 0.814 . . . . 0.0 110.643 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.7 mt -80.02 -48.49 13.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.537 0.735 . . . . 0.0 112.172 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 58.6 p -82.81 -29.9 29.18 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.062 0.545 . . . . 0.0 112.253 -171.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -117.95 -54.96 2.3 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.749 0.42 . . . . 0.0 111.339 -173.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 114.1 -141.39 16.95 Favored Glycine 0 C--N 1.343 0.95 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.751 -172.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 p -141.36 2.28 1.65 Allowed 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 124.273 1.029 . . . . 0.0 112.005 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.03 -33.07 6.02 Favored Glycine 0 C--N 1.347 1.178 0 CA-C-O 119.881 -0.399 . . . . 0.0 112.383 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -51.14 118.62 3.35 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.477 1.111 . . . . 0.0 112.042 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -63.12 -47.21 83.74 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 168.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.95 104.05 13.63 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.25 1.02 . . . . 0.0 109.635 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.1 t -141.28 134.63 29.63 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.542 1.137 . . . . 0.0 108.179 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -114.55 83.55 1.91 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 124.17 0.988 . . . . 0.0 109.404 -173.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -155.11 125.5 6.81 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 114.747 -1.115 . . . . 0.0 109.468 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.01 -16.83 63.88 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.889 1.276 . . . . 0.0 112.569 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -102.83 -0.09 31.85 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.701 0.8 . . . . 0.0 112.008 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.557 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 9.0 t -107.59 138.21 44.23 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 122.724 0.41 . . . . 0.0 110.114 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 37' ' ' PHE . . . -72.73 149.07 44.06 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 122.926 0.49 . . . . 0.0 110.988 -176.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.6 m 74.91 4.33 4.28 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.326 1.45 . . . . 0.0 112.355 -178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 83.7 m -85.53 150.93 55.08 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 123.65 0.78 . . . . 0.0 110.343 175.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.99 -46.94 30.35 Favored 'Trans proline' 0 C--N 1.387 2.583 0 C-N-CA 123.509 2.806 . . . . 0.0 114.021 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.0 p -89.31 16.06 8.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.91 0.884 . . . . 0.0 112.575 -173.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' CD2' ' HA ' ' A' ' 32' ' ' ALA . 69.6 t80 -110.44 146.99 34.94 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.31 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.2 mt -129.2 138.43 51.71 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.598 1.159 . . . . 0.0 108.761 173.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' HD3' ' HE2' ' A' ' 37' ' ' PHE . 21.8 mmt180 -68.02 117.11 9.45 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 123.668 0.605 . . . . 0.0 110.845 -176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.406 ' SD ' ' CZ ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.22 164.55 13.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.703 0.801 . . . . 0.0 110.672 175.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.05 162.75 18.82 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.796 0.839 . . . . 0.0 109.789 172.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -63.54 -37.01 85.68 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 122.996 0.519 . . . . 0.0 111.3 -176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -74.47 -35.74 63.3 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.616 0.766 . . . . 0.0 110.328 178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.53 -36.7 81.53 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.25 0.62 . . . . 0.0 110.532 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.36 -29.77 61.71 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.443 1.097 . . . . 0.0 110.701 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.27 -49.93 65.47 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 123.738 0.649 . . . . 0.0 110.258 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 46.3 mm -60.0 -48.7 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 123.622 0.769 . . . . 0.0 110.058 175.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.504 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 50.1 tptt -63.44 -36.31 83.31 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 123.918 0.761 . . . . 0.0 110.582 -176.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.94 98.72 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.413 0.685 . . . . 0.0 110.965 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.14 -37.04 80.64 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.357 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.84 -40.39 72.42 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 122.623 0.369 . . . . 0.0 111.263 -179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 83.5 mt -70.49 -28.23 64.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.183 0.593 . . . . 0.0 110.726 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -69.67 -53.96 16.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.159 0.584 . . . . 0.0 110.474 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -62.57 -40.96 98.54 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.338 0.655 . . . . 0.0 111.846 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.2 pt -81.81 -20.03 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 122.874 0.47 . . . . 0.0 110.962 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.9 m120 56.28 73.64 0.43 Allowed 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.767 1.227 . . . . 0.0 110.32 -170.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.74 -167.19 1.03 Allowed 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.959 177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -69.03 95.61 0.73 Allowed 'General case' 0 C--O 1.241 0.626 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.4 tp -78.72 131.78 36.73 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.968 -1.014 . . . . 0.0 109.387 174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.5 t -97.29 88.85 4.55 Favored 'General case' 0 C--O 1.245 0.831 0 CA-C-O 121.15 0.5 . . . . 0.0 110.578 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.46 147.29 84.84 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 115.263 -0.881 . . . . 0.0 108.706 167.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -68.31 108.45 1.79 Allowed 'Trans proline' 0 C--N 1.373 1.831 0 C-N-CA 121.668 1.578 . . . . 0.0 110.429 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -98.14 105.17 26.63 Favored Pre-proline 0 N--CA 1.477 0.921 0 C-N-CA 123.834 0.853 . . . . 0.0 109.675 -177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 C--N 1.372 1.811 0 C-N-CA 122.892 2.394 . . . . 0.0 111.161 174.187 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 N--CA 1.487 1.404 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -82.69 77.42 9.45 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 -60.53 139.96 57.53 Favored 'General case' 0 N--CA 1.486 1.374 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.241 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.5 74.99 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.835 0.854 . . . . 0.0 112.507 -173.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.36 -46.73 87.35 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.392 0.677 . . . . 0.0 111.051 176.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.464 ' HB1' ' OH ' ' A' ' 53' ' ' TYR . . . -75.09 -26.03 58.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.797 1.239 . . . . 0.0 111.653 -178.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -74.12 -52.62 11.99 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.514 1.126 . . . . 0.0 108.501 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 23.1 m-70 -70.42 -22.73 62.7 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.207 178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD21 ' HD2' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -59.37 -43.1 92.93 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.176 0.99 . . . . 0.0 109.091 169.565 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.2 mt -67.12 -35.2 73.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.446 174.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -68.35 -26.17 65.46 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 119.254 -0.403 . . . . 0.0 111.633 172.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 5.2 mmp_? -71.28 -42.78 68.3 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CE2' ' HA ' ' A' ' 53' ' ' TYR . 41.5 m-85 -63.94 -49.19 73.58 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.499 172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.6 -39.13 76.15 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.712 0.805 . . . . 0.0 110.229 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -63.82 -42.84 97.56 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 124.204 0.94 . . . . 0.0 109.933 174.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -69.31 -25.87 64.44 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.75 0.656 . . . . 0.0 111.603 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 52' ' ' LEU . 2.5 mm? -87.26 -31.21 20.38 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 122.563 0.345 . . . . 0.0 111.883 178.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.0 p -87.96 -52.39 5.3 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 117.891 0.314 . . . . 0.0 111.554 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -109.58 -31.99 7.29 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.699 0.8 . . . . 0.0 112.433 -176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.54 -108.11 3.64 Favored Glycine 0 C--N 1.341 0.825 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -171.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.1 p -150.29 10.17 0.67 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.065 0.946 . . . . 0.0 110.473 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.03 -49.33 1.96 Allowed Glycine 0 C--N 1.355 1.585 0 C-N-CA 122.869 0.271 . . . . 0.0 112.693 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -66.15 116.5 7.3 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.414 0.686 . . . . 0.0 111.043 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -33.99 68.25 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.506 0.723 . . . . 0.0 111.224 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.34 48.76 1.69 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.479 1.111 . . . . 0.0 110.397 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.591 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 42.4 t -102.64 124.28 47.9 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.819 1.247 . . . . 0.0 110.09 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 76.4 p -82.95 31.12 0.43 Allowed 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.171 0.989 . . . . 0.0 112.868 -173.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -112.36 113.29 25.41 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.537 1.135 . . . . 0.0 108.179 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.14 -23.48 63.97 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.209 1.004 . . . . 0.0 112.461 -179.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -90.05 23.03 2.96 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.954 0.901 . . . . 0.0 111.497 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 51.9 t -126.76 126.03 42.75 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.426 0.69 . . . . 0.0 110.678 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.7 162.0 29.81 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.504 0.722 . . . . 0.0 110.262 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.3 t 71.35 1.13 3.72 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 124.957 1.303 . . . . 0.0 111.325 -171.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.591 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 36.1 m -99.65 144.78 28.95 Favored Pre-proline 0 N--CA 1.479 0.983 0 C-N-CA 122.97 0.508 . . . . 0.0 109.753 176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -74.37 -5.7 17.29 Favored 'Trans proline' 0 C--N 1.376 1.979 0 C-N-CA 122.85 2.367 . . . . 0.0 112.26 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.5 p -101.08 12.62 37.29 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.644 1.178 . . . . 0.0 111.511 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -120.62 156.1 32.37 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.659 0.784 . . . . 0.0 110.069 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 49.2 tp -115.24 111.94 21.7 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.567 1.147 . . . . 0.0 108.311 173.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -56.02 139.35 47.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.438 0.695 . . . . 0.0 111.216 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -130.86 165.59 22.71 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.955 0.902 . . . . 0.0 110.146 -176.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -68.6 162.4 25.97 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.033 0.933 . . . . 0.0 110.359 177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -60.79 -40.79 93.93 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.855 0.862 . . . . 0.0 111.748 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -70.57 -39.24 74.01 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.884 0.474 . . . . 0.0 110.125 178.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.53 -31.31 71.95 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.392 0.677 . . . . 0.0 110.863 176.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.08 -28.82 60.46 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.223 1.009 . . . . 0.0 110.442 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -74.45 -36.91 63.39 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.829 0.852 . . . . 0.0 111.047 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -65.5 -49.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 123.566 0.746 . . . . 0.0 109.827 174.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 48.3 tptt -67.65 -34.38 76.83 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.632 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.36 93.2 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.457 0.703 . . . . 0.0 110.622 175.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.19 -36.72 66.6 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 124.293 0.996 . . . . 0.0 110.719 -178.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 68.8 mm-40 -59.82 -55.38 34.93 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.53 0.732 . . . . 0.0 110.141 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.53 HD12 HD21 ' A' ' 17' ' ' LEU . 73.6 mt -67.22 -26.35 66.55 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 114.69 -1.141 . . . . 0.0 111.107 -178.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.464 ' OH ' ' HB1' ' A' ' 6' ' ' ALA . 48.4 t80 -65.79 -54.53 25.77 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.288 0.635 . . . . 0.0 111.061 176.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 21.2 pttp -71.07 -28.03 64.06 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 123.748 0.655 . . . . 0.0 111.769 -171.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.6 pt -89.29 -14.56 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 122.655 0.382 . . . . 0.0 111.57 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 68.26 0.84 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.757 1.223 . . . . 0.0 110.957 -175.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.28 -179.94 6.0 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.838 176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -70.85 117.14 11.98 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 124.256 1.023 . . . . 0.0 111.762 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.9 mt -98.92 145.57 26.89 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 110.555 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.8 m -86.46 -31.22 21.48 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.692 166.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -76.83 141.68 68.65 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 114.521 -1.218 . . . . 0.0 111.482 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -63.5 141.15 79.34 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.97 2.446 . . . . 0.0 111.388 169.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.429 ' HD2' HD21 ' A' ' 9' ' ' LEU . 62.2 m80 -66.27 123.19 84.73 Favored Pre-proline 0 CA--C 1.547 0.837 0 C-N-CA 123.167 0.587 . . . . 0.0 109.654 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo . . . . . 0 C--N 1.375 1.966 0 C-N-CA 123.11 2.54 . . . . 0.0 111.591 177.194 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.962 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -70.53 91.74 0.8 Allowed 'General case' 0 C--N 1.358 0.956 0 C-N-CA 123.286 0.634 . . . . 0.0 109.959 175.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.2 ttm180 -148.21 129.66 14.85 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.52 98.24 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.485 0.714 . . . . 0.0 111.118 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.21 -33.41 75.43 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.337 0.655 . . . . 0.0 111.501 178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.89 -46.49 44.22 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.669 0.788 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.2 tptt -59.55 -46.2 89.59 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.688 0.795 . . . . 0.0 110.728 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.594 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 55.9 m-70 -72.36 -23.72 61.17 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.495 179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.99 -46.71 64.59 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.135 0.574 . . . . 0.0 109.613 175.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.86 -36.23 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.986 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -61.1 -35.54 77.28 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.84 1.256 . . . . 0.0 111.223 176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.594 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 91.0 mtt180 -71.59 -39.45 70.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 123.575 0.547 . . . . 0.0 111.507 178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -67.93 -38.24 82.64 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 123.857 0.723 . . . . 0.0 111.195 175.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -68.42 -47.68 66.6 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.374 0.67 . . . . 0.0 109.931 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -61.07 -35.46 77.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.25 1.02 . . . . 0.0 110.263 178.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -60.76 -44.85 96.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.013 0.925 . . . . 0.0 111.367 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.9 mt -79.66 -43.84 22.03 Favored 'General case' 0 CA--C 1.555 1.145 0 O-C-N 123.641 0.588 . . . . 0.0 112.442 -175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.2 p -84.54 -59.96 2.21 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.016 0.526 . . . . 0.0 111.541 -174.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -79.56 -42.08 25.84 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.36 0.664 . . . . 0.0 110.867 -172.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.07 -153.88 22.12 Favored Glycine 0 C--N 1.339 0.705 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.417 -176.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.9 p -132.59 2.9 3.82 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.833 0.853 . . . . 0.0 111.96 175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.16 -34.73 2.17 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 114.71 0.644 . . . . 0.0 114.71 177.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -59.54 137.97 57.85 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.481 1.113 . . . . 0.0 112.293 -173.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.91 -74.85 0.05 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.762 1.225 . . . . 0.0 111.681 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.32 78.48 3.07 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.21 0.529 . . . . 0.0 110.001 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 12.3 t -82.12 127.31 33.0 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.201 178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.4 t -92.55 56.33 2.68 Favored 'General case' 0 CA--C 1.563 1.469 0 C-N-CA 123.744 0.818 . . . . 0.0 112.23 -171.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -155.88 120.13 4.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.177 0.591 . . . . 0.0 109.794 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -58.86 -38.45 78.81 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.02 0.928 . . . . 0.0 112.033 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -88.9 62.17 6.24 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.798 0.839 . . . . 0.0 110.225 178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.1 t -165.6 132.37 2.78 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 119.458 -0.306 . . . . 0.0 110.677 -179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.31 159.45 34.57 Favored 'General case' 0 C--O 1.246 0.905 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m 75.32 10.7 3.54 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.703 1.252 . . . . 0.0 110.88 -162.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.9 m -114.44 133.59 22.45 Favored Pre-proline 0 C--O 1.243 0.712 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 167.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -65.4 -20.33 61.36 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.72 2.28 . . . . 0.0 112.227 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.7 p -72.58 -24.24 61.07 Favored 'General case' 0 C--O 1.242 0.678 0 C-N-CA 124.323 1.049 . . . . 0.0 111.651 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -78.05 122.44 25.58 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.409 0.443 . . . . 0.0 110.494 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.3 tp -81.27 127.28 32.54 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -62.13 106.72 0.76 Allowed 'General case' 0 CA--C 1.536 0.412 0 O-C-N 123.649 0.593 . . . . 0.0 110.631 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.6 ptm -95.62 169.46 10.02 Favored 'General case' 0 C--O 1.245 0.851 0 C-N-CA 124.644 1.178 . . . . 0.0 109.767 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.29 162.95 28.76 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.404 0.682 . . . . 0.0 109.964 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -65.18 -37.82 88.57 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.117 0.967 . . . . 0.0 111.11 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -67.39 -42.92 82.54 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.203 0.601 . . . . 0.0 109.827 175.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.71 89.48 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.623 1.202 . . . . 0.0 111.081 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.34 -27.09 60.53 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.002 0.921 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.63 -39.43 64.52 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.211 0.604 . . . . 0.0 110.639 175.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.4 mm -63.95 -50.36 77.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 175.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptm -70.48 -22.12 62.7 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.561 -177.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.6 -44.12 94.95 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 122.699 0.4 . . . . 0.0 110.06 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.84 -35.09 74.46 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.16 0.913 . . . . 0.0 111.867 177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 18.9 mm-40 -66.01 -58.07 6.33 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -60.21 -26.23 66.22 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.286 0.991 . . . . 0.0 111.535 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -65.13 -57.03 9.63 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 123.38 0.672 . . . . 0.0 110.754 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -75.43 -33.37 60.92 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 123.469 0.481 . . . . 0.0 111.641 -172.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.434 HD11 HD23 ' A' ' 52' ' ' LEU . 10.6 pt -81.42 -7.39 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.516 0.326 . . . . 0.0 110.74 178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.8 m120 58.78 53.62 5.75 Favored 'General case' 0 C--N 1.366 1.326 0 C-N-CA 124.784 1.234 . . . . 0.0 110.88 175.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.7 -174.08 2.86 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-N 114.581 -1.19 . . . . 0.0 111.534 -178.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -70.51 105.71 3.18 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.943 -172.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 13.1 mt -78.37 136.28 37.64 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 123.443 0.697 . . . . 0.0 109.833 166.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 43.0 t -114.67 -32.29 5.89 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.921 1.289 . . . . 0.0 109.226 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.93 146.9 95.71 Favored Pre-proline 0 C--O 1.248 1.004 0 CA-C-N 114.977 -1.011 . . . . 0.0 109.628 171.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -61.15 135.1 56.37 Favored 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 122.591 2.194 . . . . 0.0 112.435 -173.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -117.17 93.26 41.98 Favored Pre-proline 0 CA--C 1.548 0.896 0 C-N-CA 123.972 0.909 . . . . 0.0 108.913 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo . . . . . 0 C--N 1.371 1.724 0 C-N-CA 122.759 2.306 . . . . 0.0 110.636 172.112 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.9 ttm . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -72.61 149.17 44.17 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 173.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -90.44 31.45 1.02 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.377 0.671 . . . . 0.0 110.916 -172.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.12 -46.0 65.71 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.435 0.694 . . . . 0.0 111.23 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.41 80.28 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.057 0.543 . . . . 0.0 110.743 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.51 74.72 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.954 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -69.35 -39.53 78.07 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.345 1.058 . . . . 0.0 110.28 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.568 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.9 m-70 -64.18 -40.8 96.88 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.248 173.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.58 -43.03 98.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.447 0.699 . . . . 0.0 110.161 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.9 mt -65.02 -36.41 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.626 0.771 . . . . 0.0 110.384 173.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -64.6 -32.21 73.76 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.912 0.885 . . . . 0.0 110.217 -178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 40.6 mtp85 -75.01 -38.2 61.6 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.33 0.652 . . . . 0.0 110.454 177.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -65.13 -41.35 94.91 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.455 173.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -66.76 -39.03 87.72 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.237 0.615 . . . . 0.0 109.776 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -60.16 -41.01 91.89 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 124.473 1.108 . . . . 0.0 109.153 175.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -61.11 -44.07 97.92 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 124.125 0.891 . . . . 0.0 111.632 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.64 -37.71 79.9 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-N 118.065 0.393 . . . . 0.0 111.885 178.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.0 p -89.83 -65.91 0.97 Allowed 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -172.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -83.73 -46.49 12.2 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.546 0.738 . . . . 0.0 110.908 -175.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.64 -109.26 3.78 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -173.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.1 p -153.36 2.37 0.28 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 123.644 0.778 . . . . 0.0 112.101 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.85 -31.54 4.94 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.255 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -52.41 136.58 31.25 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.402 1.081 . . . . 0.0 112.765 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -73.47 -57.79 3.76 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.415 -0.811 . . . . 0.0 108.821 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.03 101.28 13.61 Favored 'General case' 0 C--O 1.242 0.664 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.817 174.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.4 t -136.77 115.64 12.24 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 124.076 0.95 . . . . 0.0 109.043 173.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.3 t -91.12 59.02 3.88 Favored 'General case' 0 CA--C 1.557 1.218 0 CA-C-O 122.746 1.26 . . . . 0.0 111.216 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -132.23 120.23 21.91 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.87 -1.059 . . . . 0.0 108.545 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.78 -26.55 66.15 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.391 1.476 . . . . 0.0 113.139 -173.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.62 5.97 45.79 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.771 0.829 . . . . 0.0 112.022 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.551 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 34.0 t -104.57 134.54 47.56 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 122.92 0.488 . . . . 0.0 110.855 -172.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.7 158.98 31.62 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 123.532 0.733 . . . . 0.0 109.735 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.2 m 65.31 17.08 10.86 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 124.186 0.929 . . . . 0.0 111.286 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 35.7 m -112.03 146.13 34.19 Favored Pre-proline 0 C--N 1.364 1.222 0 C-N-CA 123.356 0.662 . . . . 0.0 109.826 173.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.26 -10.02 26.44 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.714 2.276 . . . . 0.0 112.986 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.2 p -95.68 4.84 52.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.245 1.018 . . . . 0.0 111.801 -179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -131.59 137.53 48.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.039 0.536 . . . . 0.0 109.831 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.61 160.63 14.4 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.829 0.852 . . . . 0.0 110.134 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -69.91 126.64 30.3 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.724 0.81 . . . . 0.0 110.225 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -168.9 1.5 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.424 1.089 . . . . 0.0 111.056 -175.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -106.11 160.37 15.37 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.947 0.899 . . . . 0.0 109.018 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -58.21 -40.48 81.71 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.114 0.966 . . . . 0.0 112.06 -178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -70.03 -38.77 75.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.539 0.736 . . . . 0.0 110.278 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.14 -34.2 77.5 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.441 0.697 . . . . 0.0 111.147 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.31 -37.64 77.85 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.726 0.81 . . . . 0.0 110.549 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.21 -47.08 68.84 Favored 'General case' 0 C--O 1.242 0.707 0 C-N-CA 123.341 0.657 . . . . 0.0 111.727 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.8 mm -61.89 -49.8 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 123.213 0.605 . . . . 0.0 109.771 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.7 tptm -67.44 -28.77 68.16 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.672 0.607 . . . . 0.0 110.715 -175.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.93 -46.3 89.83 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.957 0.503 . . . . 0.0 110.561 173.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.37 -38.0 80.97 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.497 176.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -60.13 -55.14 37.48 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.061 0.544 . . . . 0.0 109.92 177.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 76.6 mt -61.7 -32.22 72.41 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.084 0.954 . . . . 0.0 111.727 -176.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 94.5 t80 -64.25 -56.44 14.61 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 123.742 0.651 . . . . 0.0 110.528 175.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -78.56 -16.46 57.41 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -170.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.8 pt -93.74 -15.06 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.233 0.47 . . . . 0.0 110.43 174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.75 68.19 0.66 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.299 1.04 . . . . 0.0 110.061 -175.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.14 176.58 7.52 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.434 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -69.61 100.41 1.45 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 124.182 0.993 . . . . 0.0 110.443 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -84.16 130.58 34.83 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.521 0.728 . . . . 0.0 109.617 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 49.8 t -96.81 -31.23 12.73 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.76 0.824 . . . . 0.0 111.167 -175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.54 122.38 87.36 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.585 173.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.24 106.41 0.3 Allowed 'Trans proline' 0 C--N 1.379 2.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.084 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -70.46 139.77 86.93 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 122.854 0.462 . . . . 0.0 110.854 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo . . . . . 0 C--N 1.38 2.233 0 C-N-CA 123.303 2.668 . . . . 0.0 112.753 -178.005 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 tmm? . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -89.5 110.39 21.23 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.509 0.724 . . . . 0.0 110.19 -174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -67.11 -20.16 65.74 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 124.398 1.079 . . . . 0.0 112.911 -171.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.5 -48.66 59.9 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 123.196 0.598 . . . . 0.0 110.686 177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.0 89.48 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.804 175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.4 84.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.415 1.086 . . . . 0.0 111.424 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -57.67 -50.33 73.53 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.364 1.066 . . . . 0.0 110.831 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.52 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 5.7 m-70 -67.23 -31.46 71.84 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.483 -177.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -46.17 80.69 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.336 0.654 . . . . 0.0 110.427 176.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.68 -38.95 67.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.948 0 O-C-N 123.788 0.68 . . . . 0.0 110.084 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -70.7 -28.81 65.03 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.594 0.757 . . . . 0.0 112.379 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.52 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 3.7 mmp_? -69.55 -45.49 68.64 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.896 0.479 . . . . 0.0 110.163 176.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -65.86 -40.88 92.11 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.582 175.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -61.27 -45.04 96.15 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.655 0.782 . . . . 0.0 110.61 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -58.95 -36.49 74.9 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 114.799 -1.092 . . . . 0.0 110.496 174.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -69.39 -30.12 68.02 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.346 0.658 . . . . 0.0 112.065 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.59 -38.16 17.4 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 118.567 0.621 . . . . 0.0 112.035 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 39.9 p -76.46 -41.29 47.8 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 120.928 0.394 . . . . 0.0 111.773 -175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -115.96 -57.05 2.26 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.586 0.754 . . . . 0.0 109.969 -175.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.54 -120.76 4.62 Favored Glycine 0 C--N 1.339 0.739 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.4 p -149.85 2.9 0.53 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.169 0.588 . . . . 0.0 111.852 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.41 -41.79 3.11 Favored Glycine 0 N--CA 1.475 1.235 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 -176.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.92 105.21 0.36 Allowed 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.29 1.036 . . . . 0.0 110.168 171.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.99 -34.47 64.21 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.72 61.9 7.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.898 0.879 . . . . 0.0 109.289 175.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 36.1 t -113.86 119.01 35.82 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.993 0.917 . . . . 0.0 109.968 -176.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 69.8 p -87.27 58.75 5.17 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 123.708 0.803 . . . . 0.0 111.603 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -142.71 113.1 7.25 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.171 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.91 -27.02 68.86 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.333 1.053 . . . . 0.0 111.563 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -88.3 37.48 0.82 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.669 1.187 . . . . 0.0 110.575 -179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.485 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 48.8 t -153.48 139.84 18.61 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 122.828 0.451 . . . . 0.0 110.48 -172.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.04 163.63 19.77 Favored 'General case' 0 C--O 1.244 0.771 0 C-N-CA 124.17 0.988 . . . . 0.0 109.923 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.9 m 70.87 1.51 3.79 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 125.342 1.457 . . . . 0.0 111.198 -172.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.508 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 56.2 m -93.13 146.75 32.53 Favored Pre-proline 0 C--N 1.358 0.952 0 C-N-CA 123.704 0.802 . . . . 0.0 109.947 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -58.07 -31.14 92.39 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.34 2.693 . . . . 0.0 112.18 175.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.1 p -87.26 14.17 8.31 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 124.88 1.272 . . . . 0.0 112.549 -176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -105.66 135.53 46.92 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.849 0.459 . . . . 0.0 110.333 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.42 145.69 34.21 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 169.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 mmt-85 -65.17 115.84 5.93 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 122.982 0.513 . . . . 0.0 110.761 -178.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 10.6 ptm -111.72 161.45 16.27 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 124.652 1.181 . . . . 0.0 108.612 173.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.37 167.51 20.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.238 0.615 . . . . 0.0 110.92 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -72.31 -32.21 66.37 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 123.135 0.574 . . . . 0.0 111.097 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -72.41 -34.92 68.21 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.134 0.573 . . . . 0.0 110.139 172.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.73 -33.53 75.05 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.238 0.615 . . . . 0.0 110.608 174.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.11 -28.94 60.44 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.382 1.073 . . . . 0.0 110.585 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.18 -43.84 69.96 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.555 0.742 . . . . 0.0 110.586 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.3 mm -59.54 -46.72 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.656 172.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 39.6 tptt -66.88 -31.26 71.75 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 124.019 0.824 . . . . 0.0 110.97 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.65 -45.17 92.81 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.624 0.77 . . . . 0.0 110.65 174.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.05 -34.14 72.86 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 123.99 0.806 . . . . 0.0 111.715 175.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HA ' ' HE3' ' A' ' 54' ' ' LYS . 19.8 mm-40 -58.98 -53.6 56.53 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.346 0.658 . . . . 0.0 110.089 176.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 28.1 mt -73.29 -25.07 60.51 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.211 -175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -64.93 -51.46 61.75 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.678 0.611 . . . . 0.0 110.875 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' HE3' ' HA ' ' A' ' 51' ' ' GLU . 22.6 pttp -75.89 -35.71 59.74 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.718 -173.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 18.7 pt -85.03 -12.85 11.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.289 0 C-N-CA 122.316 0.247 . . . . 0.0 110.864 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 57.55 57.93 4.05 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.638 1.175 . . . . 0.0 110.252 -179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.48 178.74 4.43 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.947 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -62.08 99.09 0.12 Allowed 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.408 1.083 . . . . 0.0 111.382 -173.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.454 HD11 ' HB3' ' A' ' 12' ' ' ARG . 30.8 tp -91.58 125.31 36.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.487 -0.778 . . . . 0.0 109.445 178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.4 m -86.43 7.52 25.47 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.01 139.76 76.64 Favored Pre-proline 0 CA--C 1.554 1.124 0 C-N-CA 122.84 0.456 . . . . 0.0 111.329 178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -53.42 136.92 64.59 Favored 'Trans proline' 0 C--N 1.387 2.571 0 C-N-CA 123.925 3.083 . . . . 0.0 113.771 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -102.05 136.58 19.45 Favored Pre-proline 0 CA--C 1.554 1.126 0 C-N-CA 123.731 0.812 . . . . 0.0 110.202 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo . . . . . 0 C--N 1.382 2.315 0 C-N-CA 123.452 2.768 . . . . 0.0 112.512 179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.627 0.251 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.477 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 37.2 ttmt -94.02 103.99 16.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.847 0.859 . . . . 0.0 109.29 -177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -68.22 -15.74 63.7 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.835 0.854 . . . . 0.0 112.11 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.92 -43.11 56.02 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.132 0.573 . . . . 0.0 109.973 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' H ' ' HG2' ' A' ' 2' ' ' LYS . . . -69.32 -34.75 75.13 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 123.415 0.686 . . . . 0.0 110.511 176.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.33 -45.73 75.54 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.634 0.773 . . . . 0.0 110.466 175.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -64.26 -41.58 96.87 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.603 0.761 . . . . 0.0 110.71 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.538 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 20.1 m80 -68.18 -33.32 74.23 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 123.994 0.808 . . . . 0.0 111.184 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 -45.39 72.96 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.26 -34.59 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.97 174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -62.65 -42.56 99.67 Favored 'General case' 0 C--O 1.212 -0.91 0 C-N-CA 124.151 0.98 . . . . 0.0 109.294 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 97.4 mtt180 -68.62 -33.69 74.46 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.793 0.683 . . . . 0.0 111.489 -178.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -71.39 -42.53 68.27 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 122.609 0.364 . . . . 0.0 111.067 175.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -68.54 -39.68 81.02 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 123.405 0.682 . . . . 0.0 110.331 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.91 -41.42 97.68 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.581 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.445 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 8.1 tt0 -60.48 -36.5 78.43 Favored 'General case' 0 C--O 1.218 -0.555 0 O-C-N 124.271 0.982 . . . . 0.0 110.764 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.8 mt -75.48 -43.75 47.69 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 122.961 0.504 . . . . 0.0 111.956 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -80.02 -58.58 3.09 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.204 0.602 . . . . 0.0 111.696 -173.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -96.48 -44.94 6.96 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.361 1.064 . . . . 0.0 110.805 -173.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.74 -111.29 4.21 Favored Glycine 0 C--N 1.341 0.833 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.031 -178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.7 p -158.49 8.42 0.14 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.541 0.736 . . . . 0.0 111.824 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.51 -32.6 3.6 Favored Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.702 -0.499 . . . . 0.0 113.756 -176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.54 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 2.4 m-20 -55.36 111.1 0.8 Allowed 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.387 1.075 . . . . 0.0 112.674 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -50.42 -54.71 19.89 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.141 1.376 . . . . 0.0 112.145 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.27 48.76 0.83 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.532 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 52.6 t -69.18 140.28 54.63 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 178.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.2 t -114.95 78.47 1.16 Allowed 'General case' 0 CA--C 1.557 1.223 0 CA-C-O 122.194 0.997 . . . . 0.0 110.321 -177.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -162.77 121.07 2.08 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.289 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.02 -15.49 63.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.318 1.047 . . . . 0.0 112.378 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.37 14.63 29.03 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.936 0.894 . . . . 0.0 111.511 178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.527 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 41.8 t -128.79 136.27 50.29 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.251 0.62 . . . . 0.0 110.235 -175.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.04 160.59 31.07 Favored 'General case' 0 C--O 1.248 1.018 0 C-N-CA 123.604 0.761 . . . . 0.0 109.259 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t 67.88 12.54 8.87 Favored 'General case' 0 CA--C 1.561 1.396 0 O-C-N 124.392 1.058 . . . . 0.0 110.857 -170.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 60.4 m -101.35 140.32 21.16 Favored Pre-proline 0 C--N 1.357 0.906 0 C-N-CA 123.594 0.757 . . . . 0.0 109.114 168.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -64.44 -28.99 62.42 Favored 'Trans proline' 0 C--N 1.371 1.753 0 C-N-CA 122.944 2.43 . . . . 0.0 112.254 175.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.8 p -85.24 -2.42 58.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.076 0.95 . . . . 0.0 112.964 -176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -78.82 125.63 29.63 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 122.545 0.338 . . . . 0.0 110.896 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.4 tp -86.48 118.76 26.11 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 169.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -66.89 155.93 37.1 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-O 121.281 0.562 . . . . 0.0 110.746 178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.598 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.04 169.41 17.84 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.406 -165.207 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -87.14 166.95 14.59 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.119 168.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -64.38 -35.55 81.26 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.229 0.612 . . . . 0.0 111.519 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -70.91 -41.51 71.15 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.996 0.518 . . . . 0.0 109.923 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.97 85.04 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.068 0.855 . . . . 0.0 111.006 178.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -72.63 -35.45 67.8 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.084 0.954 . . . . 0.0 110.873 179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.79 -50.35 69.33 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.164 0.586 . . . . 0.0 110.691 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.38 -51.18 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.824 176.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.1 tptp -60.32 -41.07 92.76 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.272 0.983 . . . . 0.0 110.531 -173.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.23 99.2 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.449 0.7 . . . . 0.0 111.129 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.9 -36.1 81.5 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.887 0.742 . . . . 0.0 111.466 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 55' ' ' ILE . 38.9 mm-40 -68.22 -45.06 74.34 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.71 0.404 . . . . 0.0 110.43 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 86.9 mt -66.42 -28.44 68.62 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.634 0.774 . . . . 0.0 110.887 177.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -71.87 -49.52 37.46 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.431 0.693 . . . . 0.0 111.354 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -71.88 -34.05 68.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.036 0.535 . . . . 0.0 111.712 -174.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 51' ' ' GLU . 18.6 pt -84.39 -18.73 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 122.571 0.349 . . . . 0.0 110.78 176.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 59.97 69.78 0.68 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.538 1.135 . . . . 0.0 109.561 -175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.95 -170.34 2.97 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.471 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -66.53 96.52 0.38 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.623 0.769 . . . . 0.0 110.1 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 43.2 tp -86.87 105.52 17.11 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.9 t -82.53 87.26 6.68 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.881 0.872 . . . . 0.0 109.298 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -78.19 160.42 73.37 Favored Pre-proline 0 C--O 1.25 1.106 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.737 -172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.37 109.88 2.94 Favored 'Trans proline' 0 C--N 1.38 2.21 0 C-N-CA 122.163 1.908 . . . . 0.0 110.024 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.6 p-80 -116.3 151.56 46.95 Favored Pre-proline 0 N--CA 1.482 1.151 0 C-N-CA 124.054 0.941 . . . . 0.0 109.453 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo . . . . . 0 C--N 1.378 2.102 0 C-N-CA 122.981 2.454 . . . . 0.0 112.76 -178.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.503 ' HG3' ' HE3' ' A' ' 7' ' ' LYS . 39.1 ttpt -85.36 79.12 9.59 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-O 121.679 0.752 . . . . 0.0 110.156 177.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -111.11 155.28 23.07 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 170.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.11 -53.15 60.54 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.239 0.616 . . . . 0.0 111.289 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.9 -31.09 71.82 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 123.903 0.881 . . . . 0.0 112.215 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.08 -46.84 73.07 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.544 0.528 . . . . 0.0 110.483 177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.503 ' HE3' ' HG3' ' A' ' 2' ' ' LYS . 72.2 mmtt -71.65 -26.88 62.73 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.326 1.05 . . . . 0.0 111.31 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 35.8 m170 -70.66 -37.7 73.74 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.992 0.517 . . . . 0.0 110.279 174.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.0 -35.34 69.43 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.076 0.86 . . . . 0.0 109.884 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' HD3' ' A' ' 7' ' ' LYS . 96.6 mt -64.38 -40.58 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.865 171.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -66.39 -30.49 70.88 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.908 0.883 . . . . 0.0 110.367 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.625 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.6 mmp_? -63.4 -48.89 75.96 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -74.6 -32.57 62.4 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 123.796 0.685 . . . . 0.0 112.46 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -73.65 -48.79 29.72 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.674 0.39 . . . . 0.0 110.136 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -68.25 -23.9 64.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.201 177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -66.08 -36.31 82.85 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 123.534 0.734 . . . . 0.0 110.57 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.5 mt -82.82 -25.31 32.8 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.2 p -85.92 -54.65 4.37 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -177.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -120.66 -26.9 5.2 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 123.177 0.591 . . . . 0.0 111.855 -176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.97 -110.98 3.95 Favored Glycine 0 C--N 1.341 0.855 0 N-CA-C 112.303 -0.319 . . . . 0.0 112.303 173.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.3 p -137.62 12.13 2.95 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.498 1.119 . . . . 0.0 109.092 170.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.38 -56.67 5.03 Favored Glycine 0 C--N 1.352 1.421 0 C-N-CA 122.829 0.252 . . . . 0.0 113.265 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -60.35 128.44 36.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.964 0.906 . . . . 0.0 111.726 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.441 ' HA ' ' O ' ' A' ' 33' ' ' SER . 14.0 pt-20 -78.89 -20.13 50.22 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.854 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.62 72.25 7.54 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 170.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 38.6 t -144.95 116.13 7.93 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.663 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -75.44 -19.88 59.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.122 0.969 . . . . 0.0 112.592 -176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -67.38 110.23 3.49 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.264 0.626 . . . . 0.0 110.316 -178.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.57 -13.4 60.08 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.344 1.058 . . . . 0.0 112.536 -178.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -91.35 19.67 5.85 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 123.924 0.89 . . . . 0.0 110.48 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.9 t -129.9 122.42 28.58 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 124.257 1.023 . . . . 0.0 108.432 -174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.85 158.98 26.44 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.006 0.922 . . . . 0.0 111.064 176.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 24' ' ' GLU . 43.8 m 70.58 2.74 4.22 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.033 1.333 . . . . 0.0 111.971 -170.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 66.5 m -88.23 141.79 31.19 Favored Pre-proline 0 C--N 1.356 0.883 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 169.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -72.81 -5.64 17.56 Favored 'Trans proline' 0 C--N 1.374 1.918 0 C-N-CA 123.049 2.499 . . . . 0.0 113.355 -176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -99.34 -15.95 18.62 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.071 0.948 . . . . 0.0 112.227 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -75.37 140.15 42.82 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.393 0.677 . . . . 0.0 110.835 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.5 mt -111.87 142.9 43.67 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.42 0.688 . . . . 0.0 109.67 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.8 mmt180 -63.64 151.29 42.16 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.924 0.889 . . . . 0.0 111.989 -175.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.7 ptp -141.28 156.37 45.88 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.299 0.64 . . . . 0.0 109.778 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.5 162.66 25.14 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.229 1.012 . . . . 0.0 110.03 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -51.26 -49.77 60.51 Favored 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 124.633 1.173 . . . . 0.0 111.566 174.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -72.28 -37.91 68.9 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.737 -1.119 . . . . 0.0 111.179 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.1 -33.18 75.2 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.037 0.535 . . . . 0.0 111.14 178.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.55 -36.25 63.11 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.994 0.918 . . . . 0.0 110.493 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.42 92.53 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.231 0.612 . . . . 0.0 110.854 177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 35.6 mm -64.61 -54.34 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.023 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 55.9 tptt -63.68 -29.26 70.51 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.916 0.76 . . . . 0.0 111.335 -176.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.4 -48.54 77.43 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.451 0.7 . . . . 0.0 110.513 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.69 -28.76 67.14 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.542 177.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -66.92 -49.88 64.14 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.901 0.481 . . . . 0.0 110.259 175.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 93.9 mt -66.54 -26.42 67.14 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.617 0.767 . . . . 0.0 111.032 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.85 -49.88 27.39 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.72 0.808 . . . . 0.0 111.231 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.76 -37.7 76.51 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.92 0.488 . . . . 0.0 111.399 -174.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.8 pt -80.47 -18.29 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 122.943 0.497 . . . . 0.0 110.948 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 58.65 69.73 0.71 Allowed 'General case' 0 C--N 1.362 1.124 0 C-N-CA 124.553 1.141 . . . . 0.0 109.661 -174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.43 -175.23 3.67 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 114.283 -1.326 . . . . 0.0 112.258 -176.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -64.67 95.77 0.16 Allowed 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.128 173.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.625 HD11 ' HB3' ' A' ' 12' ' ' ARG . 34.7 tp -83.62 121.0 26.66 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.813 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 36.8 t -83.21 125.98 32.14 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.415 0.686 . . . . 0.0 110.967 -173.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.17 149.3 87.04 Favored Pre-proline 0 C--O 1.246 0.896 0 C-N-CA 123.538 0.735 . . . . 0.0 111.074 177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -61.42 140.06 85.76 Favored 'Trans proline' 0 C--N 1.375 1.931 0 C-N-CA 122.806 2.337 . . . . 0.0 111.161 165.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -73.84 120.02 79.09 Favored Pre-proline 0 CA--C 1.555 1.141 0 C-N-CA 122.45 0.3 . . . . 0.0 110.308 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo . . . . . 0 C--N 1.376 2.007 0 C-N-CA 122.967 2.445 . . . . 0.0 111.078 173.312 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -151.52 141.29 21.87 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -67.37 -31.64 72.01 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.488 0.715 . . . . 0.0 111.357 -169.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.3 -48.75 72.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.329 0.651 . . . . 0.0 110.437 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.99 70.46 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.378 0.671 . . . . 0.0 111.534 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.51 -49.21 67.28 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.635 0.774 . . . . 0.0 109.579 179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -56.73 -52.36 65.28 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 124.54 1.15 . . . . 0.0 110.74 176.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.411 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 8.7 m-70 -57.83 -46.15 85.14 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 124.207 0.942 . . . . 0.0 111.323 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.54 -38.96 81.26 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.787 0.68 . . . . 0.0 112.096 -177.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.12 -39.49 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 175.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -65.36 -35.49 81.14 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.932 0.893 . . . . 0.0 111.692 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HB3' HD11 ' A' ' 59' ' ' LEU . 1.6 mmp_? -66.55 -47.32 73.22 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.726 0.81 . . . . 0.0 110.639 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -74.02 -33.55 63.8 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.326 0.65 . . . . 0.0 111.677 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -68.72 -47.29 66.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.012 0.525 . . . . 0.0 110.012 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 58.0 t-80 -66.48 -33.59 76.04 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.836 0.854 . . . . 0.0 110.192 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -57.77 -46.63 84.29 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.347 1.029 . . . . 0.0 110.491 175.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.1 mt -74.05 -51.19 16.57 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.155 -178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.0 p -73.19 -66.69 0.65 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.486 0.715 . . . . 0.0 111.556 -172.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -83.1 -38.09 22.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.36 0.664 . . . . 0.0 110.687 -171.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.6 -135.69 12.59 Favored Glycine 0 C--N 1.347 1.14 0 O-C-N 124.074 0.859 . . . . 0.0 111.933 -173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.1 p -149.15 -2.38 0.45 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.54 -35.28 3.04 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-O 119.806 -0.441 . . . . 0.0 113.702 -176.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -56.76 122.61 12.55 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.946 1.298 . . . . 0.0 111.949 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -70.58 -45.24 65.75 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.359 1.064 . . . . 0.0 111.783 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -93.09 46.71 1.23 Allowed 'General case' 0 N--CA 1.481 1.12 0 CA-C-O 121.757 0.789 . . . . 0.0 109.986 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.3 t -75.75 113.45 13.22 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 114.778 -1.101 . . . . 0.0 110.957 -178.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.1 p -86.17 42.19 0.97 Allowed 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.118 0.967 . . . . 0.0 111.922 -178.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -141.31 106.66 5.03 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 -23.39 64.32 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.999 0.92 . . . . 0.0 112.548 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -88.23 39.14 0.89 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 123.803 0.841 . . . . 0.0 110.623 177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 34.2 t -147.26 133.44 19.4 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.249 0.62 . . . . 0.0 109.438 -171.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.12 156.11 38.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.27 0.628 . . . . 0.0 110.712 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.2 m 73.44 4.13 4.74 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 125.281 1.432 . . . . 0.0 112.222 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 75.5 m -92.91 134.35 27.56 Favored Pre-proline 0 C--N 1.352 0.682 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 166.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -67.77 -14.62 42.23 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.955 2.437 . . . . 0.0 112.508 -178.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -80.05 -23.34 41.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.629 1.172 . . . . 0.0 111.495 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -89.36 118.77 29.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.345 0.658 . . . . 0.0 110.072 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.3 tp -89.35 138.04 31.79 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.1 mmt-85 -71.13 160.83 32.16 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.171 0.51 . . . . 0.0 111.561 -175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.94 -173.32 4.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.0 -168.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -94.11 164.3 13.12 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.718 0.807 . . . . 0.0 110.665 176.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -59.44 -33.72 71.63 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.175 0.99 . . . . 0.0 112.001 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.465 ' O ' HG12 ' A' ' 47' ' ' ILE . 90.4 m-20 -69.98 -47.21 63.14 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.289 0.635 . . . . 0.0 110.299 177.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.63 -35.93 73.29 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.79 0.836 . . . . 0.0 111.403 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.27 87.02 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.878 176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.65 -42.09 87.2 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.428 0.691 . . . . 0.0 111.572 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' ASN . 50.9 mm -63.79 -55.96 19.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.404 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.219 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -67.72 -24.78 65.42 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.919 -176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.63 -48.46 79.27 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 122.955 0.502 . . . . 0.0 110.104 175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -68.92 -33.54 73.9 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.315 177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 28.4 mm-40 -64.07 -48.81 74.75 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 123.424 0.452 . . . . 0.0 110.893 177.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.83 -29.55 69.5 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.553 0.741 . . . . 0.0 111.287 178.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -68.91 -51.94 34.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.162 0.585 . . . . 0.0 110.869 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.85 -29.92 66.18 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.361 0.664 . . . . 0.0 111.953 -171.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.9 pt -88.98 -9.1 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 122.989 0.516 . . . . 0.0 111.227 178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.7 OUTLIER 63.06 47.6 4.15 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 124.568 1.147 . . . . 0.0 109.979 178.215 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.63 168.84 10.42 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 114.746 -1.116 . . . . 0.0 112.345 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -58.44 105.43 0.29 Allowed 'General case' 0 CA--C 1.552 1.036 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.563 176.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.9 tp -83.93 140.44 31.94 Favored 'General case' 0 C--O 1.241 0.612 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.834 175.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 44.4 t -93.46 102.75 14.98 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 123.239 0.615 . . . . 0.0 109.84 -178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -113.22 132.07 22.59 Favored Pre-proline 0 CA--C 1.548 0.888 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -59.55 109.46 0.57 Allowed 'Trans proline' 0 C--N 1.385 2.449 0 C-N-CA 123.2 2.6 . . . . 0.0 112.17 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -73.02 138.97 79.34 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 123.987 0.915 . . . . 0.0 111.115 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo . . . . . 0 C--N 1.38 2.21 0 C-N-CA 122.766 2.31 . . . . 0.0 112.345 -178.132 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.484 1.252 0 N-CA-C 111.417 0.154 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -70.33 96.66 1.15 Allowed 'General case' 0 C--N 1.354 0.803 0 C-N-CA 123.25 0.62 . . . . 0.0 109.848 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -78.63 155.07 29.73 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.728 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.9 83.14 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.802 0.441 . . . . 0.0 110.195 177.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.29 83.91 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.989 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.95 79.83 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.438 0.695 . . . . 0.0 111.155 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -57.89 -46.34 85.05 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.629 0.772 . . . . 0.0 110.775 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.586 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 13.4 m-70 -68.4 -34.1 75.43 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.536 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -45.41 73.58 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.496 0.718 . . . . 0.0 110.293 178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.08 -34.54 57.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.103 0.961 . . . . 0.0 110.095 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -68.42 -38.73 81.49 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.077 0.951 . . . . 0.0 111.218 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 8' ' ' HIS . 94.9 mtt180 -69.79 -45.18 68.53 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.242 0.617 . . . . 0.0 110.125 178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -61.27 -39.73 91.49 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.536 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -61.89 -48.96 78.16 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.273 0.629 . . . . 0.0 110.314 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 61.6 m170 -65.1 -22.62 66.97 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.216 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -73.3 -42.66 62.13 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.902 0.481 . . . . 0.0 111.602 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.521 HD21 HD12 ' A' ' 52' ' ' LEU . 3.4 mm? -78.86 -29.79 44.76 Favored 'General case' 0 N--CA 1.486 1.353 0 CA-C-N 118.263 0.483 . . . . 0.0 112.094 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.6 p -84.19 -60.94 1.94 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.902 0.382 . . . . 0.0 110.824 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -94.49 -40.38 9.91 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.637 0.775 . . . . 0.0 111.209 -172.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.02 -120.75 6.89 Favored Glycine 0 C--N 1.339 0.696 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.029 -174.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.1 p -158.43 14.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.242 0.617 . . . . 0.0 110.865 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.11 -57.84 4.97 Favored Glycine 0 C--N 1.346 1.112 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 -174.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -54.33 108.69 0.4 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.672 1.189 . . . . 0.0 111.569 177.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.37 -35.92 46.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.565 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.97 56.03 2.98 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 122.134 0.968 . . . . 0.0 109.365 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.537 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 43.2 t -100.64 137.37 39.14 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.619 -173.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 45.6 p -84.4 52.31 2.32 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-O 121.658 0.742 . . . . 0.0 111.032 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -159.89 113.76 2.23 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.295 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.63 -24.84 61.11 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.545 0.738 . . . . 0.0 110.945 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.56 ' HB3' HD11 ' A' ' 52' ' ' LEU . 64.5 m-85 -88.49 49.9 1.87 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.108 0.963 . . . . 0.0 109.247 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 49.7 t -147.84 129.74 15.28 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.221 1.009 . . . . 0.0 108.754 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.54 160.78 31.17 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 122.863 0.465 . . . . 0.0 110.888 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 t 69.45 2.62 3.81 Favored 'General case' 0 CA--C 1.556 1.196 0 C-N-CA 124.668 1.187 . . . . 0.0 111.594 -173.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 45.9 m -95.46 144.24 27.48 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 123.12 0.568 . . . . 0.0 109.553 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.95 -22.76 35.4 Favored 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 122.879 2.386 . . . . 0.0 112.354 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.5 p -84.07 -6.84 59.48 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.339 1.056 . . . . 0.0 112.091 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -86.34 156.74 20.09 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.211 1.004 . . . . 0.0 110.434 178.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.24 123.34 40.54 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 169.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -59.36 154.51 16.63 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 124.036 0.934 . . . . 0.0 112.215 -177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.2 ptp -155.29 172.41 18.23 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.88 0.872 . . . . 0.0 109.602 -176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -69.18 159.32 33.21 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.071 0.549 . . . . 0.0 109.767 173.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -68.77 -24.56 64.44 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.74 0.416 . . . . 0.0 110.489 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -73.9 -40.09 63.41 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.521 0.728 . . . . 0.0 110.373 175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.24 -31.29 69.75 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.274 0.63 . . . . 0.0 110.593 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.52 -28.79 63.08 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.28 1.032 . . . . 0.0 110.647 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.31 -43.77 66.45 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.328 0.651 . . . . 0.0 110.85 174.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 34.6 mm -61.41 -45.69 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 123.224 0.61 . . . . 0.0 110.169 174.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HB3' ' HG ' ' A' ' 17' ' ' LEU . 18.8 tptm -70.86 -27.92 64.19 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.676 -177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.39 94.01 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.462 0.705 . . . . 0.0 110.575 171.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -68.79 -30.71 69.34 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.822 0.701 . . . . 0.0 111.904 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -65.56 -48.79 71.2 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 120.936 0.398 . . . . 0.0 110.347 175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.56 HD11 ' HB3' ' A' ' 30' ' ' PHE . 63.1 mt -69.22 -27.78 65.77 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.92 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -69.26 -48.23 62.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.184 0.594 . . . . 0.0 110.942 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.62 -35.23 75.07 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 122.802 0.441 . . . . 0.0 111.502 -174.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 16.1 pt -84.24 -16.37 10.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 122.823 0.449 . . . . 0.0 111.001 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.7 t30 57.77 68.25 0.87 Allowed 'General case' 0 C--N 1.36 1.028 0 C-N-CA 124.723 1.209 . . . . 0.0 109.732 -175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -85.98 -170.78 3.26 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-N 114.522 -1.217 . . . . 0.0 111.874 -175.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt -59.8 102.35 0.15 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.17 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.4 tp -99.57 127.85 45.66 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 170.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m -80.39 76.49 7.21 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 121.988 0.899 . . . . 0.0 109.427 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 32.7 t70 -119.57 137.83 25.95 Favored Pre-proline 0 C--O 1.241 0.636 0 CA-C-N 113.957 -1.474 . . . . 0.0 108.675 -173.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 13.4 Cg_exo -71.2 108.52 2.36 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.083 1.855 . . . . 0.0 110.449 -179.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -110.51 100.76 46.41 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 123.601 0.761 . . . . 0.0 109.791 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo . . . . . 0 C--N 1.373 1.847 0 C-N-CA 122.766 2.31 . . . . 0.0 111.64 172.787 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 110.567 -0.161 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -77.96 88.71 4.12 Favored 'General case' 0 C--N 1.36 1.031 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 174.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -74.6 168.38 19.9 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.156 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.44 -50.42 69.86 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.423 0.689 . . . . 0.0 110.847 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.65 -31.79 71.18 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.019 0.928 . . . . 0.0 112.179 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.31 -45.68 92.15 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.28 0.632 . . . . 0.0 110.395 176.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HA ' HD12 ' A' ' 10' ' ' ILE . 37.1 ttpt -75.87 -27.51 57.79 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.909 179.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.468 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 45.3 m170 -66.0 -35.37 80.38 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 122.961 0.504 . . . . 0.0 110.339 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.81 -38.95 64.41 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.967 0.907 . . . . 0.0 110.358 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 7' ' ' LYS . 98.0 mt -57.34 -43.01 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 O-C-N 123.875 0.734 . . . . 0.0 109.507 168.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -70.77 -29.03 65.13 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.155 -179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 11.2 mmt180 -66.47 -43.57 85.13 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.356 0.662 . . . . 0.0 110.165 176.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -70.13 -41.72 73.53 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.871 0.732 . . . . 0.0 111.135 176.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -59.44 -45.26 92.07 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 123.315 0.646 . . . . 0.0 110.422 177.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -67.88 -27.04 66.32 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 114.324 -1.307 . . . . 0.0 110.282 177.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 31' ' ' CYS . 29.0 tt0 -75.01 -38.4 61.55 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 122.932 0.493 . . . . 0.0 110.918 176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD21 HD12 ' A' ' 52' ' ' LEU . 2.3 mm? -75.15 -24.97 58.02 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 118.258 0.481 . . . . 0.0 111.749 178.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 44.6 p -93.28 -57.43 2.61 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.516 0.327 . . . . 0.0 111.116 -178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -91.05 -62.17 1.51 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.598 0.759 . . . . 0.0 110.205 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.25 -115.44 2.76 Favored Glycine 0 C--N 1.348 1.212 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.594 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.1 p -156.81 -0.93 0.12 Allowed 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' HA3' ' CD2' ' A' ' 63' ' ' HIS . . . 83.83 -34.13 3.0 Favored Glycine 0 C--N 1.347 1.169 0 CA-C-O 119.693 -0.504 . . . . 0.0 114.148 178.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -58.71 128.56 37.79 Favored 'General case' 0 C--O 1.247 0.969 0 C-N-CA 123.801 0.84 . . . . 0.0 110.743 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.54 -71.68 0.13 Allowed 'General case' 0 C--N 1.354 0.765 0 O-C-N 124.345 1.028 . . . . 0.0 111.166 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.92 82.96 7.37 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 121.381 0.61 . . . . 0.0 109.667 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 36.5 t -110.16 108.16 18.22 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.382 175.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 t -90.1 61.67 5.26 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 122.218 1.008 . . . . 0.0 110.343 -178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -139.03 108.47 6.15 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.648 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.74 -21.2 65.64 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 124.841 1.256 . . . . 0.0 112.153 175.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -88.0 24.89 1.69 Allowed 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.117 0.967 . . . . 0.0 111.303 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -147.92 138.48 23.04 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.229 0.611 . . . . 0.0 110.05 -171.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.09 156.94 24.3 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.463 0.705 . . . . 0.0 110.644 -176.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 t 69.31 4.75 4.76 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.887 1.275 . . . . 0.0 111.629 -174.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.592 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 59.0 m -88.59 150.26 45.9 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 123.6 0.76 . . . . 0.0 110.125 176.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.77 -32.69 56.01 Favored 'Trans proline' 0 C--N 1.377 2.071 0 C-N-CA 122.845 2.364 . . . . 0.0 112.541 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -88.57 4.42 46.95 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.281 1.032 . . . . 0.0 112.607 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -95.01 126.88 40.66 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.353 0.661 . . . . 0.0 110.98 -178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.47 140.12 31.59 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 165.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.02 152.89 43.09 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 121.764 0.792 . . . . 0.0 111.407 -176.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 ptm -154.71 147.3 24.18 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.647 -169.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -77.75 178.2 7.55 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.038 0.535 . . . . 0.0 111.229 -174.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -65.82 -32.94 74.74 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.571 0.749 . . . . 0.0 112.765 -175.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -71.69 -45.69 61.08 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 122.837 0.455 . . . . 0.0 110.265 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.4 -37.92 89.14 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.468 0.48 . . . . 0.0 110.71 176.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.64 73.15 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.977 0.911 . . . . 0.0 111.146 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.41 -50.05 42.53 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.524 0.73 . . . . 0.0 111.195 179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.428 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.2 mm -61.27 -46.24 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.711 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' HE2' HD21 ' A' ' 52' ' ' LEU . 20.3 tptm -65.18 -31.86 73.26 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.84 0.712 . . . . 0.0 110.748 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.09 -44.57 97.16 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.238 0.615 . . . . 0.0 111.008 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.89 -42.07 81.78 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 124.115 0.884 . . . . 0.0 111.488 177.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 30.2 mm-40 -62.61 -48.17 80.58 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.046 0.538 . . . . 0.0 110.87 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.456 HD12 HD21 ' A' ' 17' ' ' LEU . 86.2 mt -71.74 -26.63 62.54 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.431 -177.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -67.96 -51.45 47.29 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 123.436 0.46 . . . . 0.0 110.045 175.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 55.6 pttt -72.25 -30.3 64.74 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 122.671 0.388 . . . . 0.0 111.631 -171.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 23.5 pt -87.45 -13.77 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 122.676 0.39 . . . . 0.0 110.847 175.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.81 64.52 1.28 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.592 1.157 . . . . 0.0 110.439 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.79 -174.89 4.16 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.081 -0.963 . . . . 0.0 112.188 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -65.74 106.48 1.51 Allowed 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.709 0.804 . . . . 0.0 110.6 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.7 133.07 53.54 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 123.854 0.862 . . . . 0.0 108.847 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.9 m -99.24 -36.04 9.77 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.529 0.731 . . . . 0.0 110.363 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 71.49 147.53 0.12 Allowed Pre-proline 0 N--CA 1.486 1.358 0 O-C-N 125.012 1.445 . . . . 0.0 111.217 -166.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -63.64 138.58 65.13 Favored 'Trans proline' 0 C--N 1.382 2.316 0 C-N-CA 122.698 2.266 . . . . 0.0 112.003 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.417 ' CD2' ' HA3' ' A' ' 22' ' ' GLY . 12.8 p80 -71.83 142.33 85.56 Favored Pre-proline 0 CA--C 1.551 0.986 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo . . . . . 0 C--N 1.371 1.713 0 C-N-CA 123.238 2.625 . . . . 0.0 112.7 171.033 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptp . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.02 94.52 0.87 Allowed 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -81.52 -166.02 1.09 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.694 0.798 . . . . 0.0 110.648 177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.14 -45.34 93.38 Favored 'General case' 0 C--N 1.351 0.669 0 C-N-CA 123.481 0.712 . . . . 0.0 111.433 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.58 90.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.502 0.721 . . . . 0.0 111.696 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.45 -42.5 64.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.904 0.882 . . . . 0.0 111.707 -178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -73.69 -29.95 62.59 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.478 0.711 . . . . 0.0 110.264 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.552 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 22.1 m170 -72.37 -32.62 66.6 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 118.732 -0.651 . . . . 0.0 110.389 172.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.43 -46.32 86.87 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 175.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.01 -38.93 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.157 173.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.17 -32.08 73.58 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.243 1.017 . . . . 0.0 111.105 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 9.1 mmm180 -68.87 -46.25 68.93 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -64.35 -37.73 88.54 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 123.812 0.695 . . . . 0.0 111.308 177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -66.73 -49.13 67.02 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.587 0.755 . . . . 0.0 109.795 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -59.44 -37.55 78.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.288 173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -65.44 -41.99 92.89 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.659 0.784 . . . . 0.0 110.221 -176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.67 -50.24 16.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.506 0.722 . . . . 0.0 111.501 -178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.0 p -74.71 -60.81 2.11 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.732 0.413 . . . . 0.0 111.266 -175.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -83.72 -49.32 9.24 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.514 0.725 . . . . 0.0 110.927 -173.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 -121.75 7.18 Favored Glycine 0 C--N 1.346 1.118 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.589 -173.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.497 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 12.0 p -156.45 0.12 0.13 Allowed 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.937 0.717 . . . . 0.0 112.937 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.46 -34.49 3.29 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 119.901 -0.388 . . . . 0.0 113.435 -172.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 3.3 t-20 -56.02 115.28 2.33 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 124.266 1.026 . . . . 0.0 111.918 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -66.66 -45.15 79.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.441 1.096 . . . . 0.0 111.495 -177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.09 45.17 1.07 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.77 0.828 . . . . 0.0 109.83 -175.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 54.0 t -77.36 131.33 38.02 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.127 -175.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 37.9 p -87.51 -35.62 18.08 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.257 1.023 . . . . 0.0 112.691 -173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -65.32 114.78 5.0 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.327 1.051 . . . . 0.0 111.526 -170.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -22.15 66.41 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.51 0.724 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -88.8 26.9 1.42 Allowed 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.859 0.863 . . . . 0.0 111.251 176.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.5 t -142.07 139.77 32.37 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 122.784 0.434 . . . . 0.0 109.996 -172.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.88 159.44 32.83 Favored 'General case' 0 C--O 1.247 0.956 0 C-N-CA 123.314 0.645 . . . . 0.0 110.064 175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.9 t 71.18 11.1 6.85 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.076 1.351 . . . . 0.0 111.043 -170.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 50.0 m -101.98 137.44 19.5 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 123.723 0.809 . . . . 0.0 108.865 167.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -69.68 -26.62 27.78 Favored 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.825 2.35 . . . . 0.0 112.229 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.4 p -83.89 -13.2 54.17 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.125 0.97 . . . . 0.0 111.924 -178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -73.51 136.16 44.08 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-O 120.823 0.344 . . . . 0.0 110.289 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.5 mt -101.01 124.13 46.26 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.4 0.68 . . . . 0.0 109.187 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -70.16 90.53 0.67 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.074 0.95 . . . . 0.0 111.709 -172.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.6 ptp -78.82 158.71 28.11 Favored 'General case' 0 C--O 1.242 0.665 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.089 170.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.56 171.26 14.94 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 122.774 0.43 . . . . 0.0 110.304 174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -61.6 -35.43 77.84 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.311 0.644 . . . . 0.0 112.162 -175.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -73.57 -38.43 65.19 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.767 0.427 . . . . 0.0 110.248 -177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.13 72.33 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.202 0.601 . . . . 0.0 110.393 175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.59 -26.27 60.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.84 0.856 . . . . 0.0 111.146 177.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.68 -45.58 61.46 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.26 0.624 . . . . 0.0 110.64 174.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mm -62.26 -44.58 99.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.916 176.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.1 tptm -73.46 -23.85 60.14 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.847 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.25 -39.27 92.44 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.688 0.395 . . . . 0.0 110.509 173.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.53 -40.06 85.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.351 0.661 . . . . 0.0 111.243 173.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.69 -46.19 83.44 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.189 0.596 . . . . 0.0 111.299 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.6 mt -68.38 -30.61 69.59 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.645 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -64.05 -53.83 43.64 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.148 0.579 . . . . 0.0 110.629 175.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -68.56 -29.33 67.86 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 -172.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 pt -87.54 -6.4 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 55.59 60.46 3.31 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.237 1.015 . . . . 0.0 110.235 -173.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.3 165.3 24.76 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.089 -0.959 . . . . 0.0 112.153 -175.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -62.77 112.52 2.57 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.598 174.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 59' ' ' LEU . 14.0 mt -84.1 150.92 25.24 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.651 168.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.5 t -106.33 28.23 7.95 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.269 -177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -164.5 153.04 11.09 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.71 -168.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -62.28 141.63 88.38 Favored 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 122.721 2.281 . . . . 0.0 112.216 169.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -67.65 141.59 95.3 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 123.807 0.843 . . . . 0.0 111.19 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo . . . . . 0 CA--C 1.565 2.027 0 C-N-CA 123.215 2.61 . . . . 0.0 111.961 -178.036 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.541 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 111.325 0.12 . . . . 0.0 111.325 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -85.54 75.08 10.2 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-O 121.879 0.847 . . . . 0.0 111.06 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.63 163.04 35.13 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.038 1.335 . . . . 0.0 107.615 169.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.61 -60.46 3.49 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 122.99 0.516 . . . . 0.0 110.222 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.1 84.64 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.496 0.718 . . . . 0.0 111.279 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.3 -45.97 86.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.245 1.018 . . . . 0.0 111.74 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -61.61 -50.62 71.83 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.124 0.89 . . . . 0.0 110.182 -179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.478 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 15.8 m-70 -57.21 -39.21 74.97 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.201 178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -64.32 -33.62 76.26 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 124.403 1.065 . . . . 0.0 111.785 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 1' ' ' MET . 73.8 mt -64.79 -45.4 95.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 174.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -65.47 -27.52 68.56 Favored 'General case' 0 N--CA 1.484 1.225 0 O-C-N 123.67 0.606 . . . . 0.0 111.75 175.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.582 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.9 mmp_? -67.9 -55.34 13.18 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 122.989 0.515 . . . . 0.0 110.616 179.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -66.76 -34.64 78.29 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 123.8 0.688 . . . . 0.0 111.514 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -62.21 -52.73 62.62 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.343 0.657 . . . . 0.0 110.657 175.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 -66.62 -24.34 66.3 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.71 0.804 . . . . 0.0 110.324 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -70.15 -40.58 74.66 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.075 0.95 . . . . 0.0 111.09 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.4 mt -79.82 -39.0 31.71 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.395 0.678 . . . . 0.0 111.956 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.5 p -81.8 -59.44 2.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.093 0.557 . . . . 0.0 110.996 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -92.32 -42.63 9.71 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.333 0.653 . . . . 0.0 110.273 -171.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.81 -154.11 21.13 Favored Glycine 0 C--N 1.341 0.827 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.142 -175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.3 p -123.75 3.45 8.85 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.303 0.641 . . . . 0.0 111.76 177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.53 -50.0 4.33 Favored Glycine 0 C--N 1.354 1.572 0 C-N-CA 122.913 0.292 . . . . 0.0 113.086 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -52.54 111.58 0.67 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.401 1.481 . . . . 0.0 111.843 175.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -73.6 -30.64 63.12 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.557 0.743 . . . . 0.0 111.401 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.51 44.73 1.21 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.9 0.88 . . . . 0.0 110.47 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.526 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 30.4 t -85.47 128.68 34.81 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.475 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.7 t -88.22 24.52 1.85 Allowed 'General case' 0 CA--C 1.562 1.405 0 C-N-CA 123.213 0.605 . . . . 0.0 112.079 -174.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.03 112.34 15.11 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.582 0.753 . . . . 0.0 109.395 -174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.14 -25.26 63.38 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 123.432 0.693 . . . . 0.0 112.103 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -89.63 45.93 1.32 Allowed 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 124.447 1.099 . . . . 0.0 110.072 179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 46.1 t -155.31 131.6 10.29 Favored 'General case' 0 C--N 1.34 0.177 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.005 -172.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.46 163.47 20.88 Favored 'General case' 0 C--O 1.245 0.819 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 166.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m 75.86 2.81 3.74 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 125.092 1.357 . . . . 0.0 110.901 -165.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 61.9 m -107.48 130.42 22.85 Favored Pre-proline 0 CA--C 1.542 0.648 0 C-N-CA 123.364 0.666 . . . . 0.0 109.362 174.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -59.55 -30.84 93.43 Favored 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 123.196 2.597 . . . . 0.0 112.386 173.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.4 p -78.28 -3.36 42.49 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.464 0.706 . . . . 0.0 112.786 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -88.11 123.54 32.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 122.812 0.445 . . . . 0.0 110.638 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.3 tp -84.15 121.11 27.0 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 108.083 -1.081 . . . . 0.0 108.083 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.82 122.63 16.92 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 122.743 0.417 . . . . 0.0 110.894 -174.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 22.4 ptp -110.4 161.64 15.45 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.336 1.054 . . . . 0.0 109.869 177.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.96 165.64 19.62 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.424 0.69 . . . . 0.0 110.231 172.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -67.66 -31.97 72.33 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.158 0.583 . . . . 0.0 110.538 178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -61.88 -48.03 82.33 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.303 0.641 . . . . 0.0 110.457 172.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.21 -31.8 71.57 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.632 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.23 -23.96 47.19 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.068 0.947 . . . . 0.0 111.118 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.61 52.05 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.21 0.604 . . . . 0.0 109.927 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.84 -50.04 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 174.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -67.93 -24.21 65.17 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.812 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.56 -45.98 90.45 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.948 0.499 . . . . 0.0 110.235 172.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.34 -32.42 71.5 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 124.106 0.879 . . . . 0.0 111.597 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -65.98 -49.94 66.06 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.832 0.453 . . . . 0.0 110.361 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.1 mt -67.52 -30.08 69.65 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.549 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -69.2 -50.6 45.97 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.006 177.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.07 -30.82 69.22 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 122.904 0.482 . . . . 0.0 111.309 -172.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -85.41 -15.84 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 122.757 0.423 . . . . 0.0 111.115 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 59.55 66.06 1.06 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 124.646 1.179 . . . . 0.0 110.024 -175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.35 -175.58 4.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 114.908 -1.042 . . . . 0.0 112.055 -176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -67.01 129.14 38.92 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.525 173.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD11 ' HB3' ' A' ' 12' ' ' ARG . 52.2 tp -121.04 145.31 47.91 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.222 0.609 . . . . 0.0 109.834 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.5 m -107.89 111.91 24.26 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 171.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -131.72 155.52 81.31 Favored Pre-proline 0 N--CA 1.475 0.823 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 176.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -65.68 121.23 8.56 Favored 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 122.23 1.953 . . . . 0.0 110.344 175.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.74 89.16 7.34 Favored Pre-proline 0 CA--C 1.554 1.114 0 C-N-CA 123.75 0.82 . . . . 0.0 109.006 178.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo . . . . . 0 C--N 1.377 2.077 0 C-N-CA 122.531 2.154 . . . . 0.0 111.66 177.348 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.664 0.268 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -77.52 -6.48 53.75 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.765 0.826 . . . . 0.0 111.332 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -62.98 -46.57 87.05 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 171.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.17 -43.54 86.62 Favored 'General case' 0 C--N 1.347 0.49 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.116 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.88 82.56 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.695 0.798 . . . . 0.0 111.807 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.12 -45.41 70.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.078 0.951 . . . . 0.0 109.746 177.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -60.52 -37.38 80.97 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.575 1.172 . . . . 0.0 110.831 176.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 26.8 m170 -70.19 -39.16 75.37 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.904 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -69.4 -40.81 77.13 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.351 0.66 . . . . 0.0 110.832 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.87 -40.8 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.626 0.77 . . . . 0.0 109.339 173.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -64.46 -40.56 95.93 Favored 'General case' 0 C--O 1.211 -0.933 0 C-N-CA 124.055 0.942 . . . . 0.0 109.879 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HB3' HD11 ' A' ' 59' ' ' LEU . 5.2 mmp_? -64.88 -46.19 82.84 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.393 0.677 . . . . 0.0 111.543 -176.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -71.6 -37.37 70.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.681 0.613 . . . . 0.0 110.887 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -66.54 -39.95 88.83 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 120.795 0.331 . . . . 0.0 110.611 177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -64.78 -36.39 84.14 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.906 1.283 . . . . 0.0 109.188 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 -66.19 -44.33 84.24 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.745 177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.3 mm? -68.7 -39.09 80.67 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 122.997 0.519 . . . . 0.0 112.014 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.2 p -85.26 -58.06 2.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.143 0.497 . . . . 0.0 111.652 -172.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.53 -61.64 1.6 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.632 0.773 . . . . 0.0 110.522 -175.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.34 -114.92 4.11 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -158.92 1.06 0.09 Allowed 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.32 -52.08 4.28 Favored Glycine 0 C--N 1.344 1.027 0 C-N-CA 122.816 0.246 . . . . 0.0 113.601 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -60.18 110.15 1.15 Allowed 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.172 0.989 . . . . 0.0 111.856 -173.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -38.99 59.98 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.018 1.327 . . . . 0.0 112.795 178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.01 68.66 9.6 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.785 0.803 . . . . 0.0 109.899 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.6 t -133.38 107.44 8.08 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 33.7 p -92.87 70.46 4.69 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 122.258 1.027 . . . . 0.0 109.372 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -141.03 106.7 5.1 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 114.239 -1.346 . . . . 0.0 108.255 178.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.26 -22.8 67.1 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.572 1.149 . . . . 0.0 112.48 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -86.35 -2.97 58.88 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 123.81 0.844 . . . . 0.0 111.862 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 16.6 t -110.86 130.51 55.56 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.382 1.073 . . . . 0.0 109.262 -175.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 17' ' ' LEU . . . -74.03 153.33 39.72 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.394 0.678 . . . . 0.0 111.398 -175.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.8 m 71.74 3.44 4.67 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.349 1.459 . . . . 0.0 112.353 -173.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 64.0 m -85.08 148.17 49.77 Favored Pre-proline 0 CA--C 1.549 0.92 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 171.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -60.92 -35.77 86.51 Favored 'Trans proline' 0 C--N 1.377 2.041 0 C-N-CA 122.755 2.303 . . . . 0.0 111.961 179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.0 p -75.96 -11.36 59.95 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 124.067 0.947 . . . . 0.0 112.72 -179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -85.69 137.48 32.8 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.403 0.681 . . . . 0.0 110.24 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -114.88 148.89 38.0 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 172.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -68.59 126.45 29.7 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.914 0.886 . . . . 0.0 110.88 -174.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.504 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -106.53 172.18 6.95 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.784 1.233 . . . . 0.0 110.854 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -89.54 165.74 14.09 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 168.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -64.46 -37.28 86.98 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.147 0.579 . . . . 0.0 111.346 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 -61.71 -48.86 78.83 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.08 -30.83 71.91 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.643 0.777 . . . . 0.0 111.865 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -69.45 -42.16 75.28 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.963 0.905 . . . . 0.0 110.895 179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.46 -46.2 70.42 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.85 0.719 . . . . 0.0 111.462 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.9 mm -60.77 -49.24 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 123.705 0.628 . . . . 0.0 109.559 178.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.0 tptm -62.53 -38.02 88.36 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 123.807 0.692 . . . . 0.0 110.947 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.4 -42.31 86.87 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.542 0.737 . . . . 0.0 111.057 176.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -75.34 -30.51 60.28 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.897 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' HA ' ' HE2' ' A' ' 54' ' ' LYS . 35.9 mm-40 -61.86 -48.47 80.36 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.18 0.592 . . . . 0.0 109.803 174.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 61.5 mt -73.63 -31.3 63.46 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.018 -0.992 . . . . 0.0 111.235 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -63.28 -47.51 82.06 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.931 0.769 . . . . 0.0 111.038 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' A' ' 51' ' ' GLU . 64.5 pttt -75.02 -33.73 61.83 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 123.144 0.278 . . . . 0.0 111.349 -173.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.2 pt -87.84 -14.58 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 122.709 0.404 . . . . 0.0 111.513 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 12.6 m120 58.79 64.5 1.42 Allowed 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.54 1.136 . . . . 0.0 110.187 -175.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.69 178.07 7.62 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.38 -177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -57.83 95.66 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.201 1.001 . . . . 0.0 110.413 175.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD11 ' HB3' ' A' ' 12' ' ' ARG . 55.9 tp -87.45 124.85 33.87 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-N 114.585 -1.189 . . . . 0.0 108.496 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.9 t -78.63 102.27 7.9 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 123.955 0.785 . . . . 0.0 109.721 -173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -67.67 146.08 98.37 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 123.424 0.689 . . . . 0.0 110.977 -176.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -76.58 118.15 4.77 Favored 'Trans proline' 0 C--N 1.375 1.923 0 C-N-CA 122.569 2.179 . . . . 0.0 111.872 -175.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 28.2 m80 -93.59 108.01 30.99 Favored Pre-proline 0 CA--C 1.548 0.874 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo . . . . . 0 C--N 1.376 2.015 0 C-N-CA 122.809 2.339 . . . . 0.0 111.906 176.153 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.76 88.93 7.8 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 121.201 0.524 . . . . 0.0 110.483 -178.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.6 mtm180 -94.67 -171.92 2.6 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.229 1.011 . . . . 0.0 109.919 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.21 -59.4 2.37 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 124.619 1.168 . . . . 0.0 113.816 -169.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.31 -36.74 83.09 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.718 0.807 . . . . 0.0 112.28 -176.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' O ' HG13 ' A' ' 10' ' ' ILE . . . -70.53 -36.94 74.0 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.876 0.871 . . . . 0.0 111.256 -179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -70.91 -40.19 72.28 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.045 0.938 . . . . 0.0 110.047 179.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.3 m-70 -61.93 -35.04 77.22 Favored 'General case' 0 N--CA 1.48 1.074 0 O-C-N 123.8 0.688 . . . . 0.0 110.595 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -71.42 -37.54 71.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 124.087 0.867 . . . . 0.0 111.066 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 6' ' ' ALA . 84.7 mt -64.16 -40.01 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 174.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.58 -37.11 85.72 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.078 0.951 . . . . 0.0 110.925 174.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.449 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 4.1 mmp_? -60.36 -50.59 73.0 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.324 0.649 . . . . 0.0 110.116 178.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -69.96 -41.39 74.57 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.146 0.904 . . . . 0.0 111.075 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -60.49 -52.64 64.35 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-O 121.242 0.544 . . . . 0.0 110.74 -177.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HA ' ' OG1' ' A' ' 18' ' ' THR . 51.9 m80 -72.7 -19.29 61.43 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.077 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -66.62 -42.82 86.22 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 122.456 0.302 . . . . 0.0 110.772 167.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.633 HD21 HD12 ' A' ' 52' ' ' LEU . 2.6 mm? -79.13 -25.93 42.88 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 119.047 -0.501 . . . . 0.0 112.23 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 15' ' ' HIS . 80.6 p -93.17 -57.52 2.6 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 118.256 0.48 . . . . 0.0 111.424 -178.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.57 -44.56 10.01 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 123.338 0.655 . . . . 0.0 110.124 -175.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 32' ' ' ALA . . . 93.16 -108.93 3.73 Favored Glycine 0 C--N 1.344 1.021 0 CA-C-N 114.987 -1.006 . . . . 0.0 111.208 -172.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.4 p -154.35 1.3 0.21 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.873 0.869 . . . . 0.0 111.593 172.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.25 -40.5 2.37 Favored Glycine 0 C--N 1.356 1.663 0 CA-C-O 120.003 -0.332 . . . . 0.0 113.688 -174.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -52.6 113.93 1.23 Allowed 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.126 1.37 . . . . 0.0 111.626 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.18 -36.76 74.86 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 124.027 0.829 . . . . 0.0 111.323 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.31 46.78 1.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 123.812 0.845 . . . . 0.0 110.174 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 39.7 t -75.41 162.65 28.18 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.484 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.8 t -137.88 72.34 1.41 Allowed 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 122.102 0.953 . . . . 0.0 110.787 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -164.05 124.49 2.14 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.004 0.922 . . . . 0.0 108.67 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -67.85 -35.2 78.15 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.368 0.667 . . . . 0.0 111.102 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -90.29 77.55 6.63 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 42.7 t -168.31 125.26 1.06 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 122.578 0.351 . . . . 0.0 110.112 176.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB1' ' NH1' ' A' ' 39' ' ' ARG . . . -70.67 161.16 31.27 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 123.318 0.647 . . . . 0.0 110.102 178.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.9 m 64.56 14.1 8.71 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 123.596 0.758 . . . . 0.0 111.379 -174.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 23.1 m -115.81 141.13 27.04 Favored Pre-proline 0 C--N 1.363 1.165 0 C-N-CA 123.732 0.813 . . . . 0.0 109.248 175.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -19.01 46.43 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 123.013 2.475 . . . . 0.0 112.711 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.7 p -75.95 -7.54 54.82 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 123.97 0.908 . . . . 0.0 112.026 176.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.422 ' HZ ' ' HG2' ' A' ' 40' ' ' MET . 82.6 t80 -123.62 129.27 50.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 123.484 0.714 . . . . 0.0 110.666 -178.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 mp -91.11 132.81 35.81 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 170.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' NH1' ' HB1' ' A' ' 32' ' ' ALA . 30.2 mmt180 -56.96 146.1 28.01 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.09 0.956 . . . . 0.0 113.251 -172.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.422 ' HG2' ' HZ ' ' A' ' 37' ' ' PHE . 19.9 ptp -132.56 154.65 49.78 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.339 1.056 . . . . 0.0 108.94 171.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.15 167.37 20.43 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.887 0.475 . . . . 0.0 110.476 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -68.49 -26.16 65.33 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.377 0.671 . . . . 0.0 112.502 -171.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -72.12 -46.07 58.07 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 123.196 0.599 . . . . 0.0 109.66 177.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.59 74.24 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.51 -1.223 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.75 -30.46 61.49 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.413 1.085 . . . . 0.0 111.438 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.75 -43.49 68.73 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.344 0.658 . . . . 0.0 110.68 176.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 48.3 mm -60.43 -52.86 56.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.617 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.244 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 52' ' ' LEU . 49.2 tptt -63.34 -26.71 68.88 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.112 0.882 . . . . 0.0 111.201 -176.632 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.87 -52.59 64.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.465 0.706 . . . . 0.0 110.488 173.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.81 -28.45 63.6 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.882 0.739 . . . . 0.0 112.034 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 26.6 mm-40 -64.79 -52.27 57.78 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 176.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.633 HD12 HD21 ' A' ' 17' ' ' LEU . 89.0 mt -70.21 -26.19 63.75 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.802 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -69.09 -49.9 53.08 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 123.348 0.405 . . . . 0.0 110.92 177.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -74.54 -32.39 62.43 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -172.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 14.7 pt -81.18 -14.28 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 122.282 0.233 . . . . 0.0 110.647 175.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 56.69 63.09 2.05 Favored 'General case' 0 C--N 1.36 1.045 0 C-N-CA 124.754 1.221 . . . . 0.0 110.145 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.91 169.07 18.91 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.353 -1.294 . . . . 0.0 110.365 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -61.22 122.82 16.03 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-O 121.64 0.733 . . . . 0.0 110.86 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' ARG . 54.0 tp -102.2 149.1 24.64 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.968 0.907 . . . . 0.0 109.009 -178.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 12.1 t -106.19 41.62 1.39 Allowed 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.616 0.722 . . . . 0.0 110.114 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -78.52 161.85 68.11 Favored Pre-proline 0 CA--C 1.558 1.273 0 C-N-CA 124.609 1.164 . . . . 0.0 110.787 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -56.62 123.8 14.72 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 123.127 2.552 . . . . 0.0 112.744 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -77.04 119.06 75.94 Favored Pre-proline 0 N--CA 1.481 1.104 0 C-N-CA 123.539 0.736 . . . . 0.0 110.388 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--N 1.375 1.953 0 C-N-CA 123.025 2.483 . . . . 0.0 111.741 178.084 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.482 ' HG2' ' H ' ' A' ' 3' ' ' ARG . 52.5 ttm . . . . . 0 N--CA 1.48 1.042 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -95.73 -2.21 48.33 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.705 0.802 . . . . 0.0 112.82 -178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.482 ' H ' ' HG2' ' A' ' 1' ' ' MET . 27.6 tpt180 -65.53 -38.58 90.07 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -169.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.07 -45.06 67.84 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.51 -34.74 74.52 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.257 1.023 . . . . 0.0 111.322 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.73 -51.07 62.24 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.284 1.034 . . . . 0.0 110.123 179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.26 -41.69 97.36 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 124.208 0.942 . . . . 0.0 111.398 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.545 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 39.8 m170 -65.97 -42.4 89.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.785 0.678 . . . . 0.0 110.238 -178.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.35 -45.62 90.33 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.848 0.859 . . . . 0.0 110.765 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -58.04 -41.17 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 123.714 0.805 . . . . 0.0 109.996 174.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.08 -32.36 71.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.947 0.899 . . . . 0.0 110.825 -178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 6.3 mmt180 -72.03 -44.17 63.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.247 0.619 . . . . 0.0 109.769 177.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -65.98 -34.25 77.68 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.783 0.833 . . . . 0.0 110.835 176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -69.97 -55.4 9.71 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.589 0.755 . . . . 0.0 110.187 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.9 m170 -63.22 -24.86 68.07 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 124.095 0.872 . . . . 0.0 111.133 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -64.84 -48.64 73.62 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.104 0.962 . . . . 0.0 110.831 175.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 mt -75.09 -44.2 48.69 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 122.967 0.507 . . . . 0.0 111.575 -177.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.1 p -77.53 -59.26 2.86 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.608 -174.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -94.45 -37.73 11.28 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.072 0.549 . . . . 0.0 110.953 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.51 -130.57 10.33 Favored Glycine 0 C--N 1.343 0.966 0 CA-C-N 115.599 -0.728 . . . . 0.0 112.614 -171.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 23' ' ' ASN . 9.2 p -148.24 1.84 0.64 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.765 0.826 . . . . 0.0 112.254 -177.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.52 -33.43 3.91 Favored Glycine 0 CA--C 1.534 1.245 0 CA-C-O 120.001 -0.333 . . . . 0.0 113.129 -172.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 2.9 t-20 -57.71 114.04 2.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.185 0.994 . . . . 0.0 112.019 -177.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -62.02 -50.98 69.88 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.652 1.181 . . . . 0.0 113.019 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.92 54.43 0.71 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.421 0.688 . . . . 0.0 109.525 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 51.2 t -76.0 138.89 41.21 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.751 -177.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.3 t -117.97 75.53 1.01 Allowed 'General case' 0 CA--C 1.548 0.872 0 CA-C-O 122.328 1.061 . . . . 0.0 110.311 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -147.5 116.29 6.77 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.396 175.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -53.49 -32.31 49.74 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.683 1.193 . . . . 0.0 112.01 178.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.7 m-85 -104.86 74.68 1.14 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.095 0.958 . . . . 0.0 108.602 171.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.604 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.2 t -172.35 138.84 0.96 Allowed 'General case' 0 N--CA 1.493 1.693 0 CA-C-N 118.458 0.572 . . . . 0.0 111.012 171.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.22 152.41 42.24 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.9 m 69.85 18.55 7.33 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.939 1.295 . . . . 0.0 111.59 -169.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 31' ' ' CYS . 30.3 m -112.45 130.68 23.14 Favored Pre-proline 0 C--N 1.351 0.665 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 169.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.85 -22.58 63.23 Favored 'Trans proline' 0 C--N 1.368 1.59 0 C-N-CA 122.459 2.106 . . . . 0.0 111.779 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.6 p -71.14 -23.74 62.13 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.0 1.32 . . . . 0.0 112.417 176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -98.58 140.62 32.55 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.273 0.629 . . . . 0.0 110.486 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 66.0 mt -112.59 147.12 37.33 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.938 0.895 . . . . 0.0 109.368 175.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -66.03 138.29 57.68 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.012 0.925 . . . . 0.0 112.617 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 21.1 ptp -136.26 159.48 41.61 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 124.051 0.94 . . . . 0.0 109.49 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -71.83 161.13 31.41 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.435 0.694 . . . . 0.0 110.521 176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.36 -25.99 68.21 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.215 0.606 . . . . 0.0 111.498 178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -64.89 -54.49 30.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.781 . . . . 0.0 109.434 174.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.03 77.36 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.402 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.77 -29.52 50.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.109 0.964 . . . . 0.0 111.542 -177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.96 -45.16 68.02 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.822 0.449 . . . . 0.0 110.537 175.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 49.6 mm -61.26 -50.05 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.411 175.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.2 tptm -67.54 -26.3 66.25 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.864 -177.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -43.62 96.65 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.077 0.551 . . . . 0.0 110.688 174.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -65.53 -38.99 91.27 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.785 175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 23.9 mm-40 -67.55 -43.49 80.57 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.363 0.415 . . . . 0.0 110.581 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 81.8 mt -70.18 -26.06 63.72 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.276 0.63 . . . . 0.0 111.101 -179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -76.18 -45.65 32.29 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.195 0.31 . . . . 0.0 110.768 176.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.42 -27.76 63.52 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -174.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.3 pt -89.22 -20.5 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 122.637 0.375 . . . . 0.0 110.127 174.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 57.08 74.89 0.39 Allowed 'General case' 0 C--N 1.354 0.762 0 C-N-CA 124.544 1.137 . . . . 0.0 110.137 -172.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.3 179.46 7.66 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 114.627 -1.17 . . . . 0.0 111.37 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -67.85 102.42 1.25 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 121.912 0.863 . . . . 0.0 109.817 174.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 45.3 tp -84.46 146.25 27.72 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.939 178.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 35.3 t -101.73 34.63 2.57 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.004 0.922 . . . . 0.0 109.908 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 31.7 t70 -137.87 131.33 16.85 Favored Pre-proline 0 C--O 1.244 0.773 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -178.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 61' ' ' ASP . 4.9 Cg_exo -77.85 112.44 3.28 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.533 2.155 . . . . 0.0 113.057 -161.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -125.01 96.69 39.51 Favored Pre-proline 0 N--CA 1.478 0.962 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo . . . . . 0 C--N 1.379 2.141 0 C-N-CA 123.046 2.497 . . . . 0.0 111.875 178.357 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? 57.47 70.14 0.68 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.458 1.103 . . . . 0.0 110.107 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -61.06 -32.18 71.82 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -163.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.7 -55.58 10.94 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.066 0.546 . . . . 0.0 111.274 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.71 -28.54 66.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.028 0.531 . . . . 0.0 111.264 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.63 78.19 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.004 0.922 . . . . 0.0 110.607 177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 10' ' ' ILE . 87.5 tttt -70.0 -34.02 72.79 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.529 0.732 . . . . 0.0 110.142 176.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.469 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 9.0 t-160 -73.79 -24.79 59.88 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.537 175.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.43 -33.74 54.82 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 7' ' ' LYS . 96.6 mt -63.01 -37.57 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -67.27 -29.36 68.96 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 124.435 1.094 . . . . 0.0 110.953 176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 8' ' ' HIS . 7.3 mmm180 -64.44 -44.47 91.05 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 173.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -74.02 -31.32 62.87 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.681 0.792 . . . . 0.0 112.089 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -72.26 -43.91 63.63 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -63.88 -36.01 82.51 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 124.442 1.089 . . . . 0.0 109.782 174.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.16 -30.67 71.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.166 0.987 . . . . 0.0 111.441 177.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.6 mt -85.73 -51.71 6.26 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.805 0.442 . . . . 0.0 111.847 178.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.8 p -77.2 -39.68 47.88 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.178 0.591 . . . . 0.0 111.962 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -103.46 -41.88 5.86 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.419 0.688 . . . . 0.0 110.37 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.75 -128.11 9.41 Favored Glycine 0 C--N 1.337 0.638 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.09 -173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.8 p -153.83 16.02 0.5 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.822 0.449 . . . . 0.0 111.896 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.99 -32.89 2.68 Favored Glycine 0 C--N 1.354 1.532 0 N-CA-C 114.286 0.475 . . . . 0.0 114.286 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -56.63 113.6 1.7 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.215 1.006 . . . . 0.0 111.256 -177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -56.96 -25.25 57.65 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.946 0.898 . . . . 0.0 112.672 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.09 71.55 1.44 Allowed 'General case' 0 C--O 1.243 0.74 0 C-N-CA 123.65 0.78 . . . . 0.0 109.952 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 34' ' ' CYS . 42.2 t -80.85 142.31 33.76 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.74 174.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 77.3 p -110.45 62.43 0.6 Allowed 'General case' 0 CA--C 1.552 1.02 0 CA-C-O 121.471 0.653 . . . . 0.0 110.833 -175.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -152.18 114.47 4.5 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.117 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.19 -21.71 64.07 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 123.555 0.742 . . . . 0.0 111.961 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -90.12 29.83 1.17 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.205 1.002 . . . . 0.0 111.296 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.458 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 49.1 t -154.91 142.16 19.45 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 122.115 -0.366 . . . . 0.0 111.837 -171.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' O ' ' SG ' ' A' ' 31' ' ' CYS . . . -77.52 167.08 22.23 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 165.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 m 75.67 4.2 3.93 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.71 1.204 . . . . 0.0 110.07 -169.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.528 ' SG ' ' SG ' ' A' ' 26' ' ' CYS . 56.0 m -102.01 141.12 21.9 Favored Pre-proline 0 C--N 1.353 0.725 0 C-N-CA 124.306 1.042 . . . . 0.0 109.537 174.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 12.1 Cg_exo -68.77 -22.59 36.79 Favored 'Trans proline' 0 C--N 1.375 1.958 0 C-N-CA 122.804 2.336 . . . . 0.0 111.961 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 80.1 p -86.08 -10.53 54.76 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.187 0.995 . . . . 0.0 112.405 -175.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -85.77 144.18 27.9 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 122.763 0.425 . . . . 0.0 110.328 -175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.1 tp -120.77 139.11 53.58 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 174.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -69.15 151.06 46.83 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 122.103 0.954 . . . . 0.0 111.818 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.545 ' SD ' ' N ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -139.86 178.98 6.86 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-N 113.65 -1.613 . . . . 0.0 109.511 -169.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -81.4 156.34 25.46 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.387 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.74 -35.83 77.36 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.508 0.723 . . . . 0.0 112.095 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -74.11 -31.48 62.8 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.032 0.533 . . . . 0.0 110.561 177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.52 -36.04 80.27 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.787 0.435 . . . . 0.0 110.003 174.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.55 -31.71 68.85 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.571 0.749 . . . . 0.0 110.867 174.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.98 -47.0 66.65 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.353 0.661 . . . . 0.0 110.978 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 46.5 mm -63.76 -48.49 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 123.277 0.631 . . . . 0.0 109.598 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.0 tptm -66.49 -32.07 73.2 Favored 'General case' 0 C--O 1.213 -0.835 0 O-C-N 123.628 0.58 . . . . 0.0 110.76 -178.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.12 -38.15 87.85 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 123.029 0.532 . . . . 0.0 110.932 176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -69.66 -37.3 76.65 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.944 0.777 . . . . 0.0 111.126 174.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 47' ' ' ILE . 14.4 mm-40 -62.96 -40.01 96.41 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 123.47 0.481 . . . . 0.0 110.006 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 44.8 mt -73.47 -35.3 65.68 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 123.412 0.685 . . . . 0.0 110.84 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -69.72 -40.71 76.09 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.941 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -73.66 -36.19 65.32 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 122.309 0.244 . . . . 0.0 110.847 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.9 pt -86.03 -12.35 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.322 0 C-N-CA 122.636 0.374 . . . . 0.0 111.526 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.0 m120 59.15 65.65 1.16 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.294 1.038 . . . . 0.0 109.252 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 178.3 4.12 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.707 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -63.38 94.44 0.08 Allowed 'General case' 0 C--N 1.357 0.911 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.32 177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' HG ' ' HB3' ' A' ' 61' ' ' ASP . 36.1 tp -88.31 115.5 25.85 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.611 -172.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 88.4 m -83.86 75.3 10.12 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.017 171.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' HB3' ' HG ' ' A' ' 59' ' ' LEU . 12.1 p-10 -94.69 144.68 28.29 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.73 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -61.36 113.56 1.83 Allowed 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.766 2.311 . . . . 0.0 111.205 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -91.08 106.21 15.12 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 123.559 0.744 . . . . 0.0 110.34 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 C--N 1.378 2.111 0 C-N-CA 123.232 2.622 . . . . 0.0 112.619 -178.717 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.488 1.443 0 N-CA-C 111.464 0.172 . . . . 0.0 111.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -66.32 105.11 1.35 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.511 0.724 . . . . 0.0 110.31 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.519 ' HG2' ' H ' ' A' ' 5' ' ' ALA . 58.5 ttm-85 -151.99 158.28 42.88 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.892 0.877 . . . . 0.0 108.794 -176.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.92 -32.22 69.08 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.449 0.7 . . . . 0.0 110.711 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.519 ' H ' ' HG2' ' A' ' 3' ' ' ARG . . . -64.15 -42.3 96.81 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.577 0.751 . . . . 0.0 110.588 172.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.48 85.77 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 124.058 0.849 . . . . 0.0 110.571 175.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -59.93 -38.1 81.4 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.379 1.072 . . . . 0.0 110.988 177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -73.82 -33.96 64.38 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.602 0.564 . . . . 0.0 110.811 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -70.13 -41.96 73.21 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.407 0.683 . . . . 0.0 110.288 175.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 98.3 mt -65.01 -36.1 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 C-N-CA 123.344 0.658 . . . . 0.0 109.786 175.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -62.83 -44.39 96.27 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.16 0.984 . . . . 0.0 110.366 174.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.607 ' HB3' HD11 ' A' ' 59' ' ' LEU . 2.6 mmp_? -64.64 -46.81 80.97 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.662 0.785 . . . . 0.0 111.213 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -71.57 -37.41 71.04 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.369 0.667 . . . . 0.0 111.88 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -69.72 -51.08 37.46 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.072 0.549 . . . . 0.0 110.095 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -59.95 -31.24 69.68 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 124.318 1.011 . . . . 0.0 110.459 175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -63.46 -41.55 98.63 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.54 0.736 . . . . 0.0 111.275 176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.499 HD13 ' HB3' ' A' ' 48' ' ' LYS . 52.1 mt -81.84 -36.71 27.99 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.539 0.57 . . . . 0.0 112.539 -176.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.3 p -84.18 -56.07 3.85 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.323 0.649 . . . . 0.0 110.921 -176.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -100.73 -30.78 11.53 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.035 0.934 . . . . 0.0 111.725 -171.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.36 -130.66 10.4 Favored Glycine 0 C--N 1.344 1.012 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -172.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 p -155.61 18.06 0.39 Allowed 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.571 0.748 . . . . 0.0 110.842 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.71 -55.88 1.64 Allowed Glycine 0 C--N 1.355 1.587 0 C-N-CA 122.817 0.246 . . . . 0.0 112.915 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -70.61 116.53 11.04 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.136 0.574 . . . . 0.0 111.438 -177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.45 -47.71 75.19 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.941 0.896 . . . . 0.0 111.025 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.22 65.18 6.25 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.796 0.839 . . . . 0.0 110.29 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.712 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 45.6 t -111.91 123.4 50.17 Favored 'General case' 0 C--O 1.242 0.688 0 C-N-CA 124.446 1.098 . . . . 0.0 109.051 -175.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.4 t -85.88 69.0 10.53 Favored 'General case' 0 C--O 1.247 0.933 0 CA-C-O 122.972 1.367 . . . . 0.0 109.608 -176.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.2 t-20 -148.4 115.28 6.06 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-N 114.296 -1.32 . . . . 0.0 107.813 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -63.98 -16.15 60.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.108 0.963 . . . . 0.0 112.25 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -115.8 82.52 1.78 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.729 1.212 . . . . 0.0 108.677 174.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.2 t -167.9 123.16 1.01 Allowed 'General case' 0 N--CA 1.48 1.057 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.51 151.37 46.88 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.165 0.438 . . . . 0.0 110.526 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.7 t 69.79 11.36 7.8 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 124.802 1.314 . . . . 0.0 111.428 -172.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.712 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 33.7 m -109.41 136.36 20.22 Favored Pre-proline 0 C--N 1.357 0.922 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 173.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.45 -19.87 42.52 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.028 2.485 . . . . 0.0 112.036 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.5 p -72.31 -18.14 61.8 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.875 1.27 . . . . 0.0 111.604 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -108.85 127.56 54.14 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 122.885 0.474 . . . . 0.0 111.515 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.0 tp -91.09 111.16 22.51 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 168.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.24 162.93 16.3 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-O 122.072 0.939 . . . . 0.0 112.324 -174.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 19.0 ptp -145.46 171.22 14.96 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.62 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -78.84 173.12 12.83 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 122.695 0.398 . . . . 0.0 110.355 178.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -65.33 -35.89 82.36 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.414 0.686 . . . . 0.0 112.629 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -73.64 -39.28 64.62 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 -178.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.08 89.16 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.9 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.42 -28.59 64.1 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.028 0.931 . . . . 0.0 111.049 178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.7 -51.04 45.93 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.407 0.683 . . . . 0.0 110.634 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 47.8 mm -60.69 -46.63 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.967 176.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.518 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 20.2 tptp -63.46 -37.51 87.57 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.346 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.99 99.59 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.685 0.794 . . . . 0.0 111.069 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.17 -30.73 67.94 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 124.033 0.833 . . . . 0.0 111.482 177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -68.14 -41.87 80.99 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 122.527 0.331 . . . . 0.0 110.64 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 48.8 mt -70.86 -27.44 63.84 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.235 0.614 . . . . 0.0 110.925 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -68.74 -49.96 54.52 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.888 0.875 . . . . 0.0 110.355 177.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.62 -36.19 65.43 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.464 0.706 . . . . 0.0 112.267 -173.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.433 HD11 ' HB2' ' A' ' 57' ' ' ALA . 20.3 pt -82.98 -20.76 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 122.808 0.443 . . . . 0.0 110.931 178.113 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 7.7 t30 60.47 74.05 0.46 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 124.753 1.221 . . . . 0.0 109.66 -170.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 55' ' ' ILE . . . -82.68 -170.92 3.22 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.381 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -66.81 127.91 34.28 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.119 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.607 HD11 ' HB3' ' A' ' 12' ' ' ARG . 46.5 tp -120.45 140.27 51.63 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.121 -174.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 65.5 m -96.91 69.46 2.4 Favored 'General case' 0 C--O 1.24 0.595 0 C-N-CA 124.355 1.062 . . . . 0.0 108.216 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.78 163.15 47.66 Favored Pre-proline 0 CA--C 1.555 1.137 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.324 176.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -65.57 106.17 0.85 Allowed 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 121.637 1.558 . . . . 0.0 109.928 170.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -99.51 113.96 65.27 Favored Pre-proline 0 N--CA 1.478 0.932 0 C-N-CA 123.436 0.694 . . . . 0.0 110.05 -168.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--N 1.377 2.064 0 C-N-CA 123.165 2.577 . . . . 0.0 111.592 175.015 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.483 1.2 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -64.2 126.4 27.63 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.338 0.655 . . . . 0.0 109.458 177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -74.74 -23.68 58.6 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 122.922 0.489 . . . . 0.0 111.727 -175.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.67 -46.59 68.69 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 171.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.81 -43.82 97.8 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.328 0.651 . . . . 0.0 110.724 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.06 -52.86 53.32 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.228 1.011 . . . . 0.0 111.1 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -58.08 -51.03 71.38 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.924 0.89 . . . . 0.0 111.485 -179.755 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 35.5 m170 -70.26 -28.03 64.91 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.157 -176.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.21 -50.37 70.53 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 123.089 0.555 . . . . 0.0 109.882 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 81.5 mt -58.58 -41.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.472 174.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.91 -36.45 83.97 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.345 1.058 . . . . 0.0 111.293 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.639 ' HB3' HD21 ' A' ' 59' ' ' LEU . 64.0 mtm180 -72.74 -35.85 67.62 Favored 'General case' 0 N--CA 1.474 0.775 0 O-C-N 123.489 0.493 . . . . 0.0 110.61 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -69.75 -39.39 76.78 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 123.828 0.705 . . . . 0.0 110.962 174.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -66.91 -44.7 80.09 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.633 0.773 . . . . 0.0 109.806 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -64.92 -34.33 78.14 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.185 0.994 . . . . 0.0 110.506 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 43.5 tt0 -66.94 -33.58 75.88 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.432 1.093 . . . . 0.0 110.907 176.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 92.6 mt -82.4 -35.83 27.3 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 122.631 0.372 . . . . 0.0 111.898 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.4 p -85.6 -60.88 1.89 Allowed 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.245 0.618 . . . . 0.0 111.728 -174.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -92.27 -35.42 13.78 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.38 0.672 . . . . 0.0 110.903 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 16' ' ' GLN . . . 92.11 -110.88 3.95 Favored Glycine 0 C--N 1.339 0.745 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.241 -176.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.59 12.18 0.61 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.923 0.889 . . . . 0.0 109.794 170.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.91 -44.55 3.15 Favored Glycine 0 C--N 1.359 1.81 0 N-CA-C 114.109 0.404 . . . . 0.0 114.109 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -69.71 134.66 48.9 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.071 0.949 . . . . 0.0 111.974 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.9 -34.74 51.33 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.082 0.953 . . . . 0.0 111.356 175.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.43 61.47 4.91 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.247 1.019 . . . . 0.0 110.156 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' A' ' 34' ' ' CYS . 14.0 t -120.39 126.01 49.4 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.327 1.051 . . . . 0.0 110.26 -173.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.1 t -91.55 37.45 0.96 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 123.792 0.837 . . . . 0.0 110.987 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.503 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 49.6 t-20 -127.37 113.25 16.0 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -78.13 -19.54 53.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.159 0.983 . . . . 0.0 112.195 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -92.96 37.92 1.03 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.051 0.94 . . . . 0.0 109.591 177.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLN . 51.0 t -143.88 122.71 12.69 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.456 0.302 . . . . 0.0 111.449 -168.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.39 162.25 15.39 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.579 0.752 . . . . 0.0 111.121 174.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 m 65.6 8.37 5.09 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.074 0.949 . . . . 0.0 111.967 -173.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 26' ' ' CYS . 14.6 m -110.73 140.91 23.09 Favored Pre-proline 0 C--N 1.359 0.982 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 172.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -69.45 -14.22 36.7 Favored 'Trans proline' 0 C--N 1.375 1.957 0 C-N-CA 122.812 2.341 . . . . 0.0 112.575 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.5 p -88.84 10.73 20.07 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.573 1.149 . . . . 0.0 111.804 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -112.2 132.14 55.08 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.566 0.746 . . . . 0.0 110.803 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -90.81 126.3 35.98 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -67.08 152.55 45.56 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.775 0.83 . . . . 0.0 111.285 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.603 ' SD ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -139.35 176.06 9.03 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.431 -166.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -91.71 159.51 15.81 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -36.58 79.96 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.975 0.51 . . . . 0.0 111.619 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -65.41 -40.6 93.59 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.302 0.641 . . . . 0.0 110.438 175.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.67 -35.59 81.21 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.315 0.646 . . . . 0.0 110.845 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.603 ' HB2' ' SD ' ' A' ' 40' ' ' MET . . . -70.56 -34.16 71.92 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.076 0.95 . . . . 0.0 110.784 177.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.17 -48.65 64.72 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.183 0.593 . . . . 0.0 110.348 177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 41.1 mm -59.66 -50.48 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.767 0.827 . . . . 0.0 109.97 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 tptm -70.47 -25.65 63.26 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.986 -175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.66 98.25 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.025 0.53 . . . . 0.0 110.529 174.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -70.34 -31.79 69.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.569 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -68.98 -43.67 74.46 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.683 0.393 . . . . 0.0 110.903 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 48' ' ' LYS . 84.6 mt -69.95 -27.4 64.71 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.137 0.575 . . . . 0.0 110.671 178.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -67.98 -51.67 44.62 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.506 0.722 . . . . 0.0 111.203 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 -30.14 66.88 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.175 0.59 . . . . 0.0 111.882 -173.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.0 pt -90.75 -12.96 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 C-N-CA 122.632 0.373 . . . . 0.0 111.236 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 58.42 60.67 2.51 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.746 1.219 . . . . 0.0 110.665 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.26 173.26 9.74 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.076 -177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 28' ' ' ASN . 15.6 ptmt -59.66 126.52 27.92 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.447 175.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' ' 12' ' ' ARG . 4.7 tt -121.01 134.38 55.3 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.958 0.503 . . . . 0.0 110.114 -171.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.9 m -91.09 88.21 6.88 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.166 0.587 . . . . 0.0 109.754 172.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -91.74 168.82 12.37 Favored Pre-proline 0 CA--C 1.554 1.125 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 172.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -67.79 107.6 1.51 Allowed 'Trans proline' 0 C--N 1.381 2.269 0 C-N-CA 121.395 1.397 . . . . 0.0 110.43 174.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -108.53 155.66 40.08 Favored Pre-proline 0 N--CA 1.484 1.249 0 C-N-CA 123.396 0.679 . . . . 0.0 110.628 -175.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 C--N 1.381 2.238 0 C-N-CA 122.704 2.269 . . . . 0.0 111.865 175.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_