==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-10 2XHM . COMPND 2 MOLECULE: ANGIOTENSIN CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.AKIF,I.NTAI,E.D.STURROCK,R.E.ISAAC,B.O.BACHMANN, K.R.ACHAR . 599 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 4 0 1 1 0 2 0 1 1 3 1 1 0 1 3 0 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 17 A A > 0 0 119 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 153.0 14.2 37.5 -44.7 2 18 A L H > + 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.724 360.0 65.0 -81.1 -24.8 11.0 36.4 -43.1 3 19 A V H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.939 106.3 42.2 -62.1 -49.2 11.2 32.8 -44.5 4 20 A K H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 114.6 52.0 -66.3 -35.6 14.4 32.1 -42.5 5 21 A E H X S+ 0 0 40 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.886 105.3 53.9 -70.2 -39.6 12.9 33.8 -39.4 6 22 A E H X S+ 0 0 33 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.848 108.9 49.7 -63.5 -35.8 9.7 31.7 -39.5 7 23 A I H X S+ 0 0 101 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.921 113.6 45.9 -65.0 -45.6 11.8 28.5 -39.6 8 24 A Q H X S+ 0 0 114 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.864 109.9 55.1 -63.3 -39.4 13.8 29.8 -36.6 9 25 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.876 102.4 55.9 -63.7 -41.0 10.6 30.9 -34.8 10 26 A K H X S+ 0 0 118 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.906 110.5 45.1 -56.8 -45.0 9.1 27.4 -35.1 11 27 A E H X S+ 0 0 121 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.867 111.1 53.9 -67.1 -38.8 12.2 26.0 -33.3 12 28 A Y H X S+ 0 0 50 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 110.5 47.0 -59.4 -43.6 11.9 28.8 -30.7 13 29 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.904 107.7 55.0 -67.2 -44.3 8.3 27.8 -30.0 14 30 A E H X S+ 0 0 107 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.917 114.1 40.7 -55.5 -47.2 9.0 24.1 -29.7 15 31 A N H X S+ 0 0 107 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.916 115.6 49.8 -67.6 -45.9 11.7 24.7 -27.1 16 32 A L H X S+ 0 0 10 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.888 107.6 53.6 -63.8 -42.3 9.7 27.4 -25.2 17 33 A N H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.954 110.9 46.6 -55.0 -50.7 6.5 25.4 -25.0 18 34 A K H X S+ 0 0 136 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.860 112.2 51.3 -61.4 -37.4 8.4 22.5 -23.4 19 35 A E H X S+ 0 0 80 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 109.4 49.8 -65.4 -40.4 10.1 24.9 -21.0 20 36 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 108.9 52.2 -66.6 -39.9 6.8 26.4 -20.0 21 37 A A H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 112.0 46.4 -58.1 -46.7 5.3 22.9 -19.4 22 38 A K H X S+ 0 0 131 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.882 114.3 45.9 -66.5 -42.7 8.2 22.0 -17.1 23 39 A R H X S+ 0 0 84 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.849 112.7 50.9 -68.3 -36.2 8.1 25.3 -15.2 24 40 A T H X S+ 0 0 16 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.873 102.2 61.4 -70.7 -37.3 4.3 25.1 -14.8 25 41 A N H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.914 105.1 48.1 -48.0 -48.7 4.7 21.5 -13.4 26 42 A V H X S+ 0 0 75 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.893 112.9 46.8 -63.6 -43.9 6.8 23.0 -10.6 27 43 A E H X S+ 0 0 44 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.929 112.1 51.0 -62.4 -46.3 4.2 25.7 -9.8 28 44 A T H X S+ 0 0 9 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.873 106.3 54.8 -60.9 -39.9 1.4 23.2 -10.0 29 45 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.918 110.6 45.3 -59.7 -44.6 3.2 20.8 -7.5 30 46 A A H X S+ 0 0 17 -4,-1.7 4,-1.6 2,-0.2 16,-0.3 0.826 112.7 50.9 -67.5 -34.1 3.5 23.7 -5.0 31 47 A A H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.830 110.1 51.0 -70.7 -33.7 -0.2 24.6 -5.6 32 48 A W H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 108.0 51.1 -67.3 -46.1 -1.2 21.0 -5.0 33 49 A A H X S+ 0 0 41 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.863 113.9 44.8 -60.8 -39.2 0.7 20.8 -1.7 34 50 A Y H < S+ 0 0 3 -4,-1.6 3,-0.5 8,-0.2 -1,-0.2 0.909 113.4 48.4 -70.6 -45.4 -1.0 23.9 -0.5 35 51 A G H < S+ 0 0 5 -4,-2.1 284,-2.6 1,-0.2 3,-0.3 0.810 116.2 44.2 -65.2 -33.0 -4.5 22.9 -1.6 36 52 A S H < S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.582 132.1 19.8 -82.1 -15.8 -4.1 19.5 -0.0 37 53 A N S < S- 0 0 64 -4,-0.6 2,-0.6 -3,-0.5 -1,-0.3 -0.612 76.7-151.3-164.1 82.6 -2.6 20.9 3.1 38 54 A I + 0 0 10 279,-2.4 279,-0.4 -3,-0.3 2,-0.3 -0.526 36.7 140.9 -71.3 111.7 -3.1 24.5 4.0 39 55 A T > - 0 0 49 -2,-0.6 4,-2.2 277,-0.1 5,-0.2 -0.959 62.0-113.2-142.2 160.9 -0.2 25.9 6.1 40 56 A D H > S+ 0 0 122 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.854 118.6 52.3 -60.2 -36.9 1.8 29.2 6.2 41 57 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.7 44.3 -65.4 -46.6 4.9 27.3 5.0 42 58 A N H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -8,-0.2 0.806 111.8 53.7 -70.2 -32.1 3.0 25.8 2.0 43 59 A E H X S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.966 110.1 46.9 -61.2 -55.3 1.4 29.2 1.2 44 60 A K H X S+ 0 0 128 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.875 114.2 48.4 -53.7 -43.9 4.8 30.9 1.1 45 61 A K H X S+ 0 0 107 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.938 111.0 49.4 -63.5 -50.7 6.2 28.1 -1.1 46 62 A K H X S+ 0 0 38 -4,-2.5 4,-1.6 -16,-0.3 -2,-0.2 0.912 114.1 45.0 -54.4 -49.5 3.2 28.2 -3.5 47 63 A N H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.793 109.5 54.6 -70.8 -30.3 3.4 32.0 -4.0 48 64 A E H X S+ 0 0 108 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.886 108.3 48.1 -73.2 -37.9 7.2 32.2 -4.4 49 65 A I H X S+ 0 0 47 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.883 112.1 51.2 -64.7 -39.8 7.2 29.7 -7.2 50 66 A S H X S+ 0 0 7 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.918 107.9 50.9 -63.1 -46.0 4.4 31.6 -8.9 51 67 A A H X S+ 0 0 36 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.865 110.9 50.8 -56.9 -39.0 6.3 34.9 -8.5 52 68 A E H X S+ 0 0 123 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.917 111.4 45.4 -66.0 -47.1 9.3 33.1 -10.2 53 69 A L H X S+ 0 0 17 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.867 109.6 56.3 -65.9 -36.9 7.2 31.8 -13.1 54 70 A A H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.924 105.3 52.2 -57.7 -45.7 5.6 35.3 -13.5 55 71 A K H X S+ 0 0 150 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.884 109.7 48.4 -57.9 -42.5 9.1 36.8 -13.9 56 72 A F H X S+ 0 0 26 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.874 107.4 55.7 -66.2 -39.2 10.0 34.3 -16.6 57 73 A M H X S+ 0 0 36 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.878 103.2 55.9 -59.0 -41.8 6.7 35.0 -18.4 58 74 A K H X S+ 0 0 70 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.892 107.9 47.7 -56.1 -44.7 7.7 38.7 -18.5 59 75 A E H X S+ 0 0 116 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.868 111.6 52.0 -64.7 -37.8 10.9 37.8 -20.3 60 76 A V H X S+ 0 0 3 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.956 109.0 47.4 -63.9 -52.8 8.9 35.6 -22.7 61 77 A A H X S+ 0 0 15 -4,-2.9 4,-0.6 1,-0.2 3,-0.2 0.875 113.7 50.1 -56.5 -39.6 6.4 38.3 -23.7 62 78 A S H >< S+ 0 0 71 -4,-1.9 3,-1.0 -5,-0.2 4,-0.2 0.907 107.7 53.5 -63.4 -43.6 9.4 40.7 -24.1 63 79 A D H >< S+ 0 0 38 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.720 95.6 67.8 -66.5 -23.9 11.2 38.1 -26.3 64 80 A T H >< S+ 0 0 4 -4,-1.5 3,-1.7 1,-0.2 5,-0.4 0.815 88.7 65.9 -64.5 -29.9 8.1 37.8 -28.7 65 81 A T T << S+ 0 0 106 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.643 89.9 66.1 -67.8 -15.3 8.7 41.3 -29.9 66 82 A K T < S+ 0 0 134 -3,-1.1 2,-0.4 -4,-0.2 -1,-0.3 0.648 94.2 71.3 -77.9 -17.8 12.0 40.1 -31.4 67 83 A F S < S- 0 0 17 -3,-1.7 2,-1.7 -4,-0.3 3,-0.3 -0.863 79.2-138.2-103.1 136.4 10.0 38.0 -33.8 68 84 A Q > + 0 0 101 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.304 47.5 154.1 -80.1 52.2 8.0 39.5 -36.7 69 85 A W G > + 0 0 19 -2,-1.7 3,-1.7 -5,-0.4 -1,-0.2 0.813 60.7 59.9 -63.3 -34.7 5.2 37.0 -35.8 70 86 A R G 3 S+ 0 0 184 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.695 103.2 56.2 -62.2 -19.0 2.3 39.0 -37.2 71 87 A S G < S+ 0 0 63 -3,-2.0 -1,-0.3 -69,-0.0 -2,-0.2 0.507 85.6 117.0 -88.6 -6.4 4.0 38.9 -40.6 72 88 A Y < - 0 0 5 -3,-1.7 -69,-0.1 -4,-0.3 -3,-0.0 -0.177 61.8-141.9 -70.5 155.9 4.2 35.0 -40.7 73 89 A Q S S+ 0 0 168 -70,-0.0 2,-0.6 1,-0.0 -1,-0.1 0.830 79.2 85.5 -79.1 -36.5 2.5 32.7 -43.2 74 90 A S > - 0 0 38 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.583 58.4-163.4 -79.3 115.0 1.6 30.0 -40.7 75 91 A E H > S+ 0 0 138 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.852 93.7 56.5 -59.2 -35.0 -1.7 30.6 -38.8 76 92 A D H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 107.6 45.1 -65.4 -45.7 -0.5 28.0 -36.3 77 93 A L H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 113.7 50.1 -64.6 -45.5 2.8 29.8 -35.5 78 94 A K H X S+ 0 0 47 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.885 109.1 52.3 -58.9 -40.8 0.9 33.2 -35.2 79 95 A R H X S+ 0 0 54 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.902 110.6 47.5 -63.4 -42.6 -1.7 31.6 -32.9 80 96 A Q H X S+ 0 0 13 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.918 112.5 48.8 -64.1 -46.2 1.1 30.3 -30.6 81 97 A F H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.902 109.2 52.7 -61.3 -42.6 2.9 33.6 -30.5 82 98 A K H >X S+ 0 0 101 -4,-2.5 4,-0.8 1,-0.2 3,-0.7 0.934 107.1 52.4 -59.1 -45.3 -0.3 35.5 -29.7 83 99 A A H >< S+ 0 0 41 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.856 107.5 53.4 -58.3 -36.6 -1.0 33.2 -26.8 84 100 A L H 3< S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.744 100.2 60.1 -70.6 -26.5 2.6 33.9 -25.4 85 101 A T H << S+ 0 0 42 -4,-1.2 2,-0.9 -3,-0.7 -1,-0.2 0.714 84.3 91.6 -73.3 -19.9 2.1 37.7 -25.5 86 102 A K << + 0 0 77 -4,-0.8 -1,-0.1 -3,-0.6 93,-0.0 -0.678 49.0 169.8 -85.8 105.6 -0.8 37.4 -23.1 87 103 A L > - 0 0 37 -2,-0.9 3,-1.4 1,-0.2 -1,-0.2 0.730 10.5-174.9 -88.8 -28.0 0.6 37.8 -19.6 88 104 A G G > S- 0 0 38 1,-0.3 3,-1.9 2,-0.2 4,-0.2 -0.389 75.3 -7.6 59.0-136.5 -2.4 38.1 -17.3 89 105 A Y G > S+ 0 0 55 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.784 125.6 76.0 -59.1 -29.8 -1.4 38.9 -13.7 90 106 A A G < S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.549 80.0 72.5 -61.2 -8.0 2.3 38.3 -14.7 91 107 A A G < S+ 0 0 17 -3,-1.9 -1,-0.3 -34,-0.0 -2,-0.2 0.707 78.5 100.6 -77.1 -20.5 2.2 41.7 -16.3 92 108 A L S < S- 0 0 0 -3,-2.3 5,-0.1 -4,-0.2 83,-0.0 -0.270 88.1 -94.8 -63.5 148.3 2.1 43.3 -12.9 93 109 A P > - 0 0 61 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.254 45.4-100.5 -55.8 155.9 5.3 44.8 -11.3 94 110 A E H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.859 122.0 44.8 -49.6 -49.7 7.1 42.3 -9.0 95 111 A D H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 113.6 50.2 -66.1 -38.4 5.8 43.8 -5.8 96 112 A D H > S+ 0 0 23 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.863 110.1 49.9 -68.9 -39.6 2.2 44.1 -7.1 97 113 A Y H X S+ 0 0 24 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.891 111.0 49.4 -64.5 -41.3 2.1 40.5 -8.3 98 114 A A H X S+ 0 0 40 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.898 111.3 49.6 -65.2 -41.4 3.4 39.3 -4.9 99 115 A E H X S+ 0 0 73 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 109.9 51.2 -62.0 -43.6 0.7 41.4 -3.1 100 116 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.930 109.3 49.7 -60.6 -46.7 -2.0 40.0 -5.4 101 117 A L H X S+ 0 0 16 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.885 110.5 51.1 -58.0 -40.9 -0.8 36.4 -4.7 102 118 A D H X S+ 0 0 90 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.864 111.7 46.9 -65.9 -37.3 -0.9 37.2 -0.9 103 119 A T H X S+ 0 0 15 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.940 110.9 52.0 -68.3 -48.6 -4.5 38.6 -1.2 104 120 A L H X S+ 0 0 28 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.899 111.9 45.0 -54.6 -46.4 -5.7 35.6 -3.3 105 121 A S H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.856 108.7 58.1 -70.7 -31.3 -4.4 33.0 -0.8 106 122 A A H X S+ 0 0 27 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.880 112.0 41.4 -59.8 -39.6 -5.8 35.1 2.1 107 123 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 116.4 46.3 -76.6 -44.8 -9.3 34.8 0.5 108 124 A E H X S+ 0 0 22 -4,-2.5 4,-2.1 375,-0.2 -2,-0.2 0.900 115.0 47.4 -64.5 -40.8 -9.0 31.1 -0.5 109 125 A S H X S+ 0 0 18 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.893 109.5 53.5 -69.8 -40.2 -7.6 30.1 2.9 110 126 A N H < S+ 0 0 47 -4,-1.5 4,-0.4 -5,-0.3 3,-0.2 0.942 111.1 46.6 -53.9 -51.8 -10.3 32.0 4.7 111 127 A F H >< S+ 0 0 20 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.903 113.3 48.4 -57.0 -46.5 -13.0 30.2 2.7 112 128 A A H 3< S+ 0 0 21 -4,-2.1 206,-0.3 1,-0.2 -1,-0.2 0.774 111.3 50.2 -68.4 -28.0 -11.4 26.8 3.3 113 129 A K T 3< S+ 0 0 82 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.378 76.7 133.1 -94.1 2.1 -11.0 27.4 7.1 114 130 A V < + 0 0 9 -3,-1.0 15,-0.5 -4,-0.4 2,-0.4 -0.345 27.4 172.5 -59.5 125.3 -14.6 28.5 7.7 115 131 A K E -A 128 0A 76 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.997 9.2-167.4-133.3 139.0 -16.1 26.7 10.8 116 132 A V E -A 127 0A 1 11,-2.5 11,-1.8 -2,-0.4 2,-0.3 -0.804 25.4-101.8-122.0 164.7 -19.5 27.4 12.4 117 133 A a - 0 0 34 -2,-0.3 8,-0.3 8,-0.2 5,-0.2 -0.639 44.4 -96.7 -86.5 143.1 -21.1 26.5 15.7 118 134 A D - 0 0 35 6,-3.2 3,-0.1 3,-0.8 6,-0.1 -0.298 25.4-133.0 -54.7 134.9 -23.8 23.8 15.9 119 135 A Y S S+ 0 0 83 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.835 109.0 34.3 -57.0 -36.5 -27.3 25.2 15.8 120 136 A K S S+ 0 0 161 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.538 124.4 43.7 -96.6 -12.1 -28.3 23.0 18.8 121 137 A D > - 0 0 74 3,-0.2 3,-1.6 -3,-0.1 -3,-0.8 -0.760 55.3-173.8-143.2 90.0 -24.9 23.0 20.5 122 138 A S T 3 S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.550 88.5 63.9 -61.7 -6.6 -23.1 26.4 20.9 123 139 A T T 3 S+ 0 0 121 1,-0.1 2,-1.0 -6,-0.1 -1,-0.3 0.797 87.5 71.9 -83.8 -34.3 -20.2 24.3 22.3 124 140 A K < + 0 0 101 -3,-1.6 -6,-3.2 1,-0.1 3,-0.2 -0.738 54.8 158.5 -90.9 99.0 -19.5 22.3 19.2 125 141 A a + 0 0 55 -2,-1.0 -8,-0.2 -8,-0.3 -1,-0.1 -0.201 42.3 94.0-118.6 42.1 -17.9 24.8 16.7 126 142 A D + 0 0 90 -11,-0.1 2,-0.6 2,-0.1 -1,-0.2 -0.022 46.0 133.2-122.0 27.5 -16.1 22.6 14.2 127 143 A L E -A 116 0A 9 -11,-1.8 -11,-2.5 -3,-0.2 2,-0.2 -0.727 36.9-164.7 -84.2 118.2 -18.7 22.4 11.5 128 144 A A E > -A 115 0A 7 -2,-0.6 5,-2.6 -13,-0.2 6,-0.3 -0.641 32.5-111.6 -96.8 160.3 -17.2 23.0 8.1 129 145 A L T >S+ 0 0 19 -15,-0.5 5,-2.6 1,-0.2 6,-0.3 0.940 99.6 75.7 -51.3 -51.5 -19.2 23.7 4.9 130 146 A D T 5S- 0 0 27 1,-0.2 -1,-0.2 3,-0.2 190,-0.0 -0.940 120.3 -16.3-112.6 112.5 -18.2 20.3 3.4 131 147 A P T >5S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 -0.994 134.1 49.6-103.4 -12.6 -19.7 18.2 4.7 132 148 A E H >5S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -3,-0.2 0.891 115.0 36.7 -57.9 -55.3 -21.4 19.4 7.9 133 149 A I H >X S+ 0 0 24 -4,-1.4 4,-3.2 -3,-0.2 3,-0.6 0.962 113.6 52.3 -68.6 -53.5 -28.0 20.6 6.9 137 153 A I H 3< S+ 0 0 7 -4,-2.6 107,-0.2 1,-0.2 -2,-0.2 0.861 115.6 42.4 -50.8 -40.7 -28.7 22.9 4.0 138 154 A S H 3< S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.759 128.5 25.8 -79.0 -25.4 -29.6 20.0 1.8 139 155 A K H << S+ 0 0 123 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.767 93.1 93.2-114.3 -35.4 -31.6 18.0 4.3 140 156 A S < - 0 0 16 -4,-3.2 104,-0.1 -5,-0.2 -4,-0.0 -0.381 40.2-174.6 -66.3 138.6 -33.2 20.2 7.0 141 157 A R + 0 0 63 -2,-0.1 2,-0.8 103,-0.0 -1,-0.1 -0.003 54.4 111.9-116.1 23.9 -36.7 21.5 6.4 142 158 A D > - 0 0 68 1,-0.1 4,-2.6 2,-0.0 3,-0.3 -0.879 57.0-159.0 -95.2 103.7 -36.5 23.7 9.6 143 159 A H H > S+ 0 0 68 -2,-0.8 4,-2.0 1,-0.2 -1,-0.1 0.784 88.3 49.6 -60.1 -31.0 -36.5 27.2 8.1 144 160 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 110.5 49.6 -77.8 -35.7 -35.0 28.8 11.1 145 161 A E H > S+ 0 0 22 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.944 111.8 50.0 -60.6 -49.2 -32.2 26.2 11.3 146 162 A L H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 110.8 49.0 -54.7 -45.9 -31.6 26.8 7.6 147 163 A A H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.848 107.7 55.4 -64.5 -37.4 -31.5 30.6 8.2 148 164 A Y H X S+ 0 0 58 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.959 111.0 43.0 -58.8 -52.9 -29.0 30.2 11.1 149 165 A Y H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.839 112.0 54.8 -65.5 -34.5 -26.5 28.3 9.0 150 166 A W H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.955 111.5 43.8 -60.8 -51.7 -27.0 30.7 6.1 151 167 A R H X S+ 0 0 102 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.923 114.2 49.7 -61.8 -46.4 -26.1 33.7 8.2 152 168 A E H X S+ 0 0 47 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.931 114.7 43.9 -60.9 -46.3 -23.2 32.0 10.0 153 169 A F H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.5 0.943 115.2 45.7 -65.7 -49.6 -21.6 30.9 6.7 154 170 A Y H X>S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 5,-1.5 0.867 111.4 54.0 -64.0 -37.3 -22.1 34.1 4.7 155 171 A D H <>S+ 0 0 53 -4,-2.4 5,-1.0 -5,-0.3 -1,-0.2 0.909 119.5 33.3 -59.7 -41.7 -20.8 36.2 7.7 156 172 A K H <5S+ 0 0 80 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.841 127.0 36.1 -86.7 -38.3 -17.6 34.1 7.8 157 173 A A H <5S+ 0 0 0 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.725 131.7 25.0 -88.8 -23.6 -17.0 33.2 4.2 158 174 A G T ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.5 -3,-0.2 0.854 121.8 38.0-102.4 -75.0 -18.2 36.5 2.7 159 175 A T G > S+ 0 0 1 -3,-1.8 4,-2.7 313,-0.3 -1,-0.3 0.113 73.5 117.1-113.5 23.3 -12.7 39.2 3.3 162 178 A R H <> S+ 0 0 46 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.931 79.2 46.4 -54.5 -52.4 -14.2 42.5 2.1 163 179 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 114.0 48.4 -62.8 -39.1 -10.9 44.5 2.3 164 180 A Q H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 110.8 51.3 -63.9 -42.4 -9.0 41.7 0.6 165 181 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.899 107.7 53.2 -62.5 -40.8 -11.6 41.5 -2.1 166 182 A E H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.912 110.9 45.6 -58.5 -45.9 -11.3 45.3 -2.6 167 183 A R H X S+ 0 0 75 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.851 110.2 55.1 -67.2 -36.2 -7.6 45.1 -3.1 168 184 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.913 106.7 50.2 -61.7 -45.6 -8.0 42.1 -5.4 169 185 A V H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 110.8 50.8 -57.2 -45.5 -10.4 44.1 -7.7 170 186 A E H X S+ 0 0 91 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.921 115.6 40.1 -58.5 -47.6 -7.8 46.9 -7.7 171 187 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.832 111.8 55.9 -76.3 -33.4 -4.9 44.7 -8.7 172 188 A N H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.916 111.4 45.7 -59.0 -44.2 -7.0 42.6 -11.2 173 189 A T H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.9 51.6 -65.8 -45.5 -7.9 45.9 -12.9 174 190 A K H X S+ 0 0 93 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.903 111.6 48.4 -58.0 -43.1 -4.2 47.1 -12.9 175 191 A A H X S+ 0 0 1 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.923 110.2 50.7 -61.9 -48.2 -3.2 43.8 -14.5 176 192 A A H ><>S+ 0 0 4 -4,-2.2 5,-2.8 1,-0.2 3,-0.6 0.900 110.6 49.1 -57.4 -44.4 -5.9 43.9 -17.2 177 193 A K H ><5S+ 0 0 109 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.843 104.4 58.3 -67.9 -34.3 -4.9 47.5 -18.1 178 194 A L H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.733 108.4 47.3 -65.1 -23.2 -1.2 46.5 -18.3 179 195 A N T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.299 123.9-112.6 -94.0 5.5 -2.3 43.9 -20.9 180 196 A N T < 5S+ 0 0 151 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.725 73.7 133.8 63.7 26.8 -4.3 46.7 -22.6 181 197 A F < - 0 0 53 -5,-2.8 -1,-0.3 -6,-0.1 -2,-0.2 -0.746 64.8-124.0 -88.1 153.4 -7.7 45.3 -21.8 182 198 A T S S- 0 0 94 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.869 82.5 -27.1 -63.5 -37.5 -10.2 47.9 -20.4 183 199 A S S > S- 0 0 1 -7,-0.2 4,-1.6 -8,-0.0 3,-0.4 -0.932 76.5 -78.2-163.7 177.3 -10.7 45.7 -17.3 184 200 A G H > S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.735 122.1 65.7 -62.4 -25.2 -10.7 42.1 -16.0 185 201 A A H > S+ 0 0 0 252,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.950 105.0 42.5 -59.6 -49.8 -14.1 41.5 -17.6 186 202 A E H > S+ 0 0 48 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.848 111.1 56.2 -67.3 -35.4 -12.5 42.0 -21.1 187 203 A A H < S+ 0 0 27 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.934 112.1 42.5 -61.3 -46.3 -9.4 39.9 -20.0 188 204 A W H >< S+ 0 0 33 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.928 112.4 53.0 -63.0 -47.1 -11.8 37.0 -19.1 189 205 A L H >< S+ 0 0 18 -4,-2.5 3,-1.8 1,-0.3 5,-0.4 0.735 92.7 74.3 -63.7 -23.5 -13.9 37.4 -22.2 190 206 A D G >< S+ 0 0 38 -4,-1.5 3,-1.7 1,-0.3 -1,-0.3 0.794 81.5 71.3 -59.5 -29.9 -10.8 37.3 -24.4 191 207 A E G < S+ 0 0 108 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.651 92.9 57.0 -60.1 -17.9 -10.7 33.5 -23.8 192 208 A Y G < S- 0 0 0 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.450 94.2-143.9 -96.9 -3.3 -13.8 33.1 -26.0 193 209 A E < + 0 0 83 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.1 0.849 63.6 107.5 45.7 49.9 -12.2 34.7 -29.1 194 210 A D > - 0 0 48 -5,-0.4 3,-1.8 1,-0.0 4,-0.2 -0.795 57.8-155.6-161.5 110.6 -15.5 36.4 -30.1 195 211 A D T 3 S+ 0 0 159 1,-0.3 4,-0.1 -2,-0.3 3,-0.1 0.540 98.1 48.6 -71.7 -5.3 -16.3 40.1 -29.9 196 212 A T T 3> S+ 0 0 70 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.182 76.5 114.8-111.1 17.1 -20.1 39.5 -29.8 197 213 A F H <> S+ 0 0 3 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 0.866 74.0 49.1 -61.2 -43.1 -19.9 36.8 -27.1 198 214 A E H > S+ 0 0 67 -4,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 112.5 48.5 -60.9 -47.6 -21.8 38.7 -24.4 199 215 A Q H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.909 108.3 54.8 -59.2 -42.4 -24.6 39.6 -26.8 200 216 A Q H X S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.893 110.3 46.1 -57.5 -43.7 -24.8 36.0 -27.9 201 217 A L H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.879 109.7 54.0 -67.7 -39.4 -25.3 34.9 -24.3 202 218 A E H X S+ 0 0 58 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.933 110.4 47.9 -57.3 -46.3 -27.9 37.7 -23.6 203 219 A D H X S+ 0 0 87 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.916 114.3 44.8 -61.9 -46.6 -29.9 36.4 -26.7 204 220 A I H X S+ 0 0 14 -4,-2.2 4,-1.5 2,-0.2 3,-0.4 0.929 113.4 50.2 -65.2 -45.6 -29.7 32.7 -25.5 205 221 A F H X S+ 0 0 8 -4,-3.1 4,-2.4 1,-0.2 3,-0.4 0.924 106.6 56.0 -57.8 -44.4 -30.6 33.6 -21.9 206 222 A A H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 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