==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAR-10 2X8Y . COMPND 2 MOLECULE: ANGIOTENSIN CONVERTING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.AKIF,D.GEORGIADIS,A.MAHAJAN,V.DIVE,E.D.STURROCK,R.E.ISAAC, . 595 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 70.9 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 . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 0 4 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 20 A K > 0 0 124 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -46.3 -34.9 5.9 44.0 2 21 A E T 3> + 0 0 65 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.708 360.0 78.4 -68.1 -23.7 -35.5 6.4 40.2 3 22 A E H 3> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.738 86.0 60.4 -61.0 -27.1 -31.9 7.6 39.7 4 23 A I H <> S+ 0 0 122 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.938 110.3 39.3 -65.9 -48.4 -30.6 4.0 39.8 5 24 A Q H > S+ 0 0 122 -4,-0.5 4,-2.0 -3,-0.4 -2,-0.2 0.827 113.5 57.1 -69.3 -33.6 -32.7 3.0 36.7 6 25 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.882 102.8 53.6 -64.1 -41.8 -32.0 6.3 35.1 7 26 A K H X S+ 0 0 140 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.903 110.8 46.3 -59.2 -44.7 -28.2 5.8 35.2 8 27 A E H X S+ 0 0 124 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.861 110.6 54.0 -65.1 -38.6 -28.6 2.4 33.5 9 28 A Y H X S+ 0 0 50 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.906 110.8 45.6 -60.7 -44.2 -30.9 4.0 30.9 10 29 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.884 107.6 56.9 -68.7 -41.7 -28.3 6.7 30.1 11 30 A E H X S+ 0 0 108 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.922 113.9 39.6 -56.0 -47.4 -25.4 4.2 29.9 12 31 A N H X S+ 0 0 100 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 115.4 50.8 -69.4 -44.8 -27.3 2.2 27.2 13 32 A L H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.887 107.7 53.0 -62.9 -42.7 -28.7 5.2 25.3 14 33 A N H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.945 110.5 46.9 -57.5 -49.1 -25.3 6.9 25.1 15 34 A K H X S+ 0 0 116 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.879 113.2 49.9 -61.6 -39.1 -23.7 3.8 23.5 16 35 A E H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.898 110.3 49.9 -63.6 -42.7 -26.7 3.6 21.1 17 36 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.889 108.7 52.3 -65.5 -39.7 -26.3 7.2 20.2 18 37 A A H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.928 112.0 46.4 -59.4 -45.3 -22.6 6.8 19.5 19 38 A K H X S+ 0 0 133 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.893 114.4 45.8 -67.1 -43.2 -23.3 3.9 17.2 20 39 A R H X S+ 0 0 83 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.882 113.0 50.8 -66.3 -39.5 -26.1 5.6 15.3 21 40 A T H X S+ 0 0 14 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.865 102.1 61.7 -68.2 -35.8 -24.0 8.8 14.9 22 41 A N H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.913 104.6 48.6 -50.9 -46.9 -21.1 6.7 13.6 23 42 A V H X S+ 0 0 76 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.895 112.4 47.4 -62.8 -44.2 -23.3 5.7 10.7 24 43 A E H X S+ 0 0 44 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.917 111.5 51.0 -62.2 -44.9 -24.4 9.3 10.0 25 44 A T H X S+ 0 0 16 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.867 105.8 55.1 -64.1 -38.8 -20.8 10.5 10.2 26 45 A E H X S+ 0 0 63 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.905 110.4 45.6 -60.6 -43.4 -19.6 7.9 7.7 27 46 A A H X S+ 0 0 16 -4,-1.6 4,-1.6 2,-0.2 16,-0.3 0.851 113.2 49.6 -67.5 -36.9 -22.2 9.1 5.1 28 47 A A H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.868 112.1 49.4 -68.6 -37.4 -21.3 12.7 5.7 29 48 A W H X S+ 0 0 22 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.931 109.1 51.2 -63.8 -49.1 -17.6 11.9 5.3 30 49 A A H X S+ 0 0 38 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.858 112.4 47.6 -57.9 -38.2 -18.3 10.0 2.0 31 50 A Y H < S+ 0 0 3 -4,-1.6 3,-0.4 8,-0.2 -1,-0.2 0.910 112.1 46.9 -70.5 -45.7 -20.2 13.0 0.7 32 51 A G H < S+ 0 0 6 -4,-2.1 284,-2.5 1,-0.2 3,-0.3 0.750 116.5 46.3 -67.4 -25.9 -17.6 15.6 1.7 33 52 A S H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.620 131.0 18.6 -87.3 -17.4 -14.9 13.4 0.2 34 53 A N S < S- 0 0 62 -4,-0.7 2,-0.7 -3,-0.4 -1,-0.3 -0.644 75.8-152.4-161.4 85.1 -16.8 12.7 -3.0 35 54 A I + 0 0 8 279,-2.3 279,-0.5 -3,-0.3 2,-0.3 -0.558 37.1 140.1 -73.2 109.6 -19.7 15.1 -3.9 36 55 A T > - 0 0 50 -2,-0.7 4,-2.2 277,-0.1 5,-0.2 -0.945 62.9-111.8-141.3 162.3 -22.3 13.2 -6.0 37 56 A D H > S+ 0 0 123 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.846 119.2 51.2 -62.4 -35.1 -26.1 13.0 -6.2 38 57 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 111.3 46.0 -69.9 -42.3 -26.0 9.5 -4.8 39 58 A N H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -8,-0.2 0.837 110.6 54.1 -69.3 -34.6 -23.8 10.4 -1.8 40 59 A E H X S+ 0 0 43 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.934 109.9 47.4 -60.1 -48.6 -26.0 13.5 -1.1 41 60 A K H X S+ 0 0 122 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.906 112.7 49.1 -60.1 -45.2 -29.1 11.3 -1.0 42 61 A K H X S+ 0 0 107 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.930 111.6 48.3 -61.1 -49.6 -27.3 8.8 1.3 43 62 A K H X S+ 0 0 41 -4,-2.5 4,-1.8 -16,-0.3 -2,-0.2 0.931 115.9 43.3 -55.4 -50.8 -26.1 11.4 3.7 44 63 A N H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.837 111.4 52.7 -70.5 -35.5 -29.5 13.1 4.0 45 64 A E H X S+ 0 0 107 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.898 110.7 47.4 -67.8 -40.9 -31.5 9.9 4.3 46 65 A I H X S+ 0 0 49 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 110.9 52.3 -66.1 -39.8 -29.4 8.6 7.2 47 66 A S H X S+ 0 0 6 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.894 107.3 52.2 -62.9 -41.3 -29.6 12.0 8.9 48 67 A A H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.886 109.0 51.4 -59.4 -41.8 -33.4 11.9 8.6 49 68 A E H X S+ 0 0 123 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.915 111.2 45.7 -61.8 -46.9 -33.3 8.5 10.2 50 69 A L H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.892 109.4 56.0 -64.7 -39.8 -31.2 9.7 13.2 51 70 A A H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.909 105.6 51.8 -57.2 -44.4 -33.5 12.7 13.6 52 71 A K H X S+ 0 0 136 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.893 110.6 47.9 -58.9 -43.1 -36.5 10.5 13.9 53 72 A F H X S+ 0 0 36 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.884 107.9 55.3 -65.2 -40.6 -34.7 8.5 16.6 54 73 A M H X S+ 0 0 38 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.871 103.0 56.6 -59.0 -40.3 -33.7 11.7 18.4 55 74 A K H X S+ 0 0 68 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.896 107.4 48.1 -56.0 -45.2 -37.4 12.7 18.5 56 75 A E H X S+ 0 0 112 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.897 111.0 51.9 -61.8 -42.7 -38.2 9.4 20.4 57 76 A V H X S+ 0 0 4 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.944 109.2 47.5 -60.3 -52.2 -35.3 10.1 22.8 58 77 A A H X S+ 0 0 17 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.859 113.4 50.0 -58.7 -37.9 -36.4 13.6 23.7 59 78 A S H >< S+ 0 0 67 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.2 0.882 107.9 53.7 -65.5 -41.3 -40.0 12.2 24.2 60 79 A D H >< S+ 0 0 46 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.731 94.6 68.8 -67.3 -25.1 -38.6 9.4 26.4 61 80 A T H >< S+ 0 0 4 -4,-1.4 3,-1.5 1,-0.2 5,-0.5 0.794 87.7 66.9 -64.6 -28.1 -36.8 11.9 28.7 62 81 A T T << S+ 0 0 102 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.669 89.8 65.3 -66.6 -17.9 -40.2 13.1 30.0 63 82 A K T < S+ 0 0 141 -3,-1.3 2,-0.4 -4,-0.2 -1,-0.3 0.622 94.5 70.7 -78.8 -15.0 -40.8 9.7 31.6 64 83 A F S < S- 0 0 21 -3,-1.5 2,-1.8 -4,-0.3 3,-0.3 -0.893 79.9-138.9-104.5 133.4 -37.9 10.4 33.9 65 84 A Q > + 0 0 114 -2,-0.4 3,-1.8 1,-0.2 4,-0.2 -0.304 46.7 154.4 -80.1 53.5 -38.2 12.9 36.7 66 85 A W G > + 0 0 17 -2,-1.8 3,-1.8 -5,-0.5 -1,-0.2 0.797 60.5 60.3 -63.1 -34.3 -34.7 14.1 35.9 67 86 A R G 3 S+ 0 0 183 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.704 102.4 57.5 -64.0 -18.7 -35.0 17.7 37.2 68 87 A S G < S+ 0 0 89 -3,-1.8 -1,-0.3 7,-0.0 -2,-0.2 0.474 85.2 118.6 -86.6 -5.1 -35.7 16.2 40.6 69 88 A Y < - 0 0 14 -3,-1.8 -3,-0.0 -4,-0.2 6,-0.0 -0.211 60.6-144.7 -73.4 152.9 -32.5 14.2 40.8 70 89 A Q S S+ 0 0 166 1,-0.0 2,-0.6 2,-0.0 -1,-0.1 0.844 80.0 85.9 -74.4 -38.4 -29.6 14.5 43.3 71 90 A S > - 0 0 40 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.565 58.2-165.1 -78.1 114.2 -26.9 13.8 40.7 72 91 A E H > S+ 0 0 138 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.844 92.7 56.4 -60.3 -35.2 -25.7 16.8 38.8 73 92 A D H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 107.7 45.2 -64.6 -45.2 -24.1 14.4 36.3 74 93 A L H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 113.7 50.2 -65.6 -43.5 -27.3 12.6 35.6 75 94 A K H X S+ 0 0 47 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.891 109.2 51.7 -60.3 -42.1 -29.3 15.9 35.2 76 95 A R H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.889 111.1 47.4 -63.5 -41.3 -26.6 17.3 32.9 77 96 A Q H X S+ 0 0 14 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 112.5 48.5 -65.4 -46.9 -26.8 14.2 30.6 78 97 A F H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.905 109.6 53.0 -61.0 -41.7 -30.6 14.2 30.5 79 98 A K H >X S+ 0 0 110 -4,-2.5 4,-0.7 1,-0.2 3,-0.7 0.919 105.9 53.8 -59.5 -44.1 -30.6 17.9 29.7 80 99 A A H >< S+ 0 0 41 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.861 106.9 52.9 -56.7 -37.9 -28.3 17.3 26.8 81 100 A L H 3< S+ 0 0 4 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.720 100.5 60.2 -72.0 -24.4 -30.7 14.7 25.4 82 101 A T H << S+ 0 0 40 -4,-1.1 2,-1.2 -3,-0.7 -1,-0.2 0.714 83.3 91.8 -74.7 -20.2 -33.7 17.1 25.5 83 102 A K << + 0 0 78 -4,-0.7 -1,-0.1 -3,-0.6 4,-0.1 -0.634 47.6 167.5 -85.3 95.5 -31.9 19.4 23.1 84 103 A L > - 0 0 36 -2,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.752 12.0-177.0 -78.9 -29.9 -33.1 18.3 19.6 85 104 A G G > S- 0 0 37 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.408 74.5 -5.7 59.6-134.7 -31.9 21.1 17.5 86 105 A Y G > S+ 0 0 51 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.779 125.8 75.0 -58.1 -29.8 -33.0 20.7 13.8 87 106 A A G < S+ 0 0 8 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.526 79.7 73.6 -65.1 -5.5 -34.4 17.2 14.7 88 107 A A G < S+ 0 0 16 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.670 78.3 100.6 -77.9 -18.0 -37.3 18.9 16.4 89 108 A L S < S- 0 0 0 -3,-2.2 5,-0.1 -4,-0.2 83,-0.0 -0.328 88.2 -93.7 -67.7 147.6 -38.7 19.8 12.9 90 109 A P > - 0 0 58 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.247 45.4-102.2 -53.5 151.4 -41.5 17.8 11.3 91 110 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.854 121.3 45.4 -47.3 -49.5 -40.2 15.0 9.1 92 111 A D H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 113.0 49.8 -65.0 -41.7 -40.9 16.9 5.8 93 112 A D H > S+ 0 0 26 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.846 110.6 50.4 -65.8 -37.4 -39.4 20.2 7.1 94 113 A Y H X S+ 0 0 25 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 110.0 50.1 -66.8 -42.9 -36.3 18.4 8.3 95 114 A A H X S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.903 111.2 49.3 -61.8 -43.2 -35.9 16.7 4.9 96 115 A E H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 110.0 51.2 -61.6 -44.3 -36.3 20.1 3.1 97 116 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.938 109.3 49.9 -59.1 -48.1 -33.7 21.7 5.4 98 117 A L H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.876 111.0 50.7 -56.1 -41.0 -31.2 18.9 4.7 99 118 A D H X S+ 0 0 90 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.879 112.0 45.9 -66.1 -40.5 -31.8 19.4 1.0 100 119 A T H X S+ 0 0 15 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.907 111.5 52.9 -68.6 -42.9 -31.2 23.1 1.2 101 120 A L H X S+ 0 0 29 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.916 111.5 44.1 -59.4 -47.2 -28.1 22.7 3.3 102 121 A S H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.848 109.4 58.5 -69.5 -31.4 -26.4 20.3 0.9 103 122 A A H X S+ 0 0 28 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.911 111.4 41.6 -59.2 -43.1 -27.5 22.6 -2.0 104 123 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 116.3 46.2 -73.1 -44.8 -25.5 25.4 -0.4 105 124 A E H X S+ 0 0 29 -4,-2.4 4,-2.2 375,-0.2 -2,-0.2 0.897 114.8 47.8 -66.8 -39.3 -22.5 23.4 0.6 106 125 A S H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.891 109.0 53.8 -69.9 -40.1 -22.2 21.7 -2.8 107 126 A N H X S+ 0 0 49 -4,-1.7 4,-0.6 -5,-0.3 -2,-0.2 0.943 111.1 46.8 -53.2 -50.9 -22.6 25.0 -4.6 108 127 A F H >< S+ 0 0 19 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.924 114.1 47.0 -57.3 -48.3 -19.7 26.4 -2.6 109 128 A A H 3< S+ 0 0 22 -4,-2.2 206,-0.3 1,-0.2 -1,-0.2 0.772 111.8 51.1 -67.1 -28.3 -17.5 23.3 -3.2 110 129 A K H 3< S+ 0 0 82 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.452 76.7 131.8 -92.3 -1.9 -18.2 23.2 -6.9 111 130 A V << + 0 0 11 -3,-1.0 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F H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.894 107.5 53.5 -61.9 -40.7 -30.2 30.8 2.1 163 182 A E H X S+ 0 0 49 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.900 111.2 45.0 -59.1 -44.6 -33.6 32.5 2.6 164 183 A R H X S+ 0 0 74 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.849 110.1 56.1 -69.0 -35.8 -35.3 29.1 3.1 165 184 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.922 106.5 49.6 -58.9 -47.6 -32.5 28.0 5.4 166 185 A V H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.917 110.7 51.3 -58.3 -45.2 -33.1 31.0 7.6 167 186 A E H X S+ 0 0 90 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.925 115.3 39.9 -57.2 -48.6 -36.9 30.2 7.7 168 187 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.838 112.6 55.0 -76.1 -33.6 -36.3 26.5 8.7 169 188 A N H X S+ 0 0 4 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.914 111.6 46.3 -59.4 -43.5 -33.5 27.4 11.2 170 189 A T H X S+ 0 0 29 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.922 111.4 50.3 -65.1 -46.8 -35.9 29.8 12.9 171 190 A K H X S+ 0 0 94 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.898 111.6 49.6 -57.8 -42.6 -38.8 27.2 12.9 172 191 A A H X S+ 0 0 2 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.926 109.8 49.9 -61.8 -49.2 -36.4 24.7 14.4 173 192 A A H ><>S+ 0 0 5 -4,-2.2 5,-2.6 1,-0.2 3,-0.6 0.901 110.7 49.8 -56.7 -45.4 -35.2 27.0 17.2 174 193 A K H ><5S+ 0 0 110 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.817 104.0 58.4 -67.4 -32.3 -38.7 28.0 18.1 175 194 A L H 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.734 108.0 47.4 -67.2 -23.4 -39.7 24.3 18.3 176 195 A N T <<5S- 0 0 37 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.307 123.7-112.7 -93.4 5.9 -37.0 24.0 20.9 177 196 A N T < 5S+ 0 0 151 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.678 73.9 133.7 65.2 22.8 -38.4 27.1 22.6 178 197 A F < - 0 0 52 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.2 -0.716 65.4-123.1 -85.5 153.0 -35.4 29.4 21.8 179 198 A T S S- 0 0 91 -2,-0.3 2,-0.3 1,-0.2 -5,-0.2 0.900 82.0 -29.0 -61.2 -42.0 -36.4 32.8 20.4 180 199 A S S > S- 0 0 1 -7,-0.2 4,-1.8 -6,-0.0 3,-0.3 -0.913 75.8 -77.2-160.4-179.8 -34.2 32.1 17.3 181 200 A G H > S+ 0 0 2 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.702 122.7 66.0 -64.1 -20.9 -31.2 30.3 15.9 182 201 A A H > S+ 0 0 0 252,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.959 105.4 41.6 -63.8 -49.9 -29.0 33.0 17.6 183 202 A E H > S+ 0 0 48 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.844 111.1 56.9 -67.2 -36.1 -30.2 31.8 21.0 184 203 A A H < S+ 0 0 27 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.921 111.6 43.0 -59.0 -45.8 -29.9 28.1 20.0 185 204 A W H >< S+ 0 0 34 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.935 112.0 52.7 -63.4 -48.3 -26.2 28.7 19.1 186 205 A L H >< S+ 0 0 19 -4,-2.5 3,-1.9 1,-0.3 5,-0.4 0.726 92.2 75.2 -64.1 -22.2 -25.5 30.8 22.2 187 206 A D G >< S+ 0 0 40 -4,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.802 82.1 70.2 -59.2 -29.0 -26.9 28.0 24.4 188 207 A E G < S+ 0 0 106 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.656 93.6 56.0 -63.1 -17.0 -23.7 26.1 23.8 189 208 A Y G < S- 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.439 94.4-144.9 -97.5 -1.7 -21.8 28.6 25.9 190 209 A E < + 0 0 82 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.1 0.821 62.6 108.6 44.2 48.1 -24.1 28.0 29.0 191 210 A D > - 0 0 51 -5,-0.4 3,-1.8 1,-0.0 4,-0.2 -0.834 57.7-155.5-158.3 111.1 -23.8 31.7 30.1 192 211 A D T 3 S+ 0 0 159 -2,-0.3 4,-0.1 1,-0.3 3,-0.1 0.488 98.3 48.0 -74.0 -1.1 -26.7 34.2 29.9 193 212 A T T 3> S+ 0 0 70 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 0.124 76.6 114.9-115.4 18.7 -24.3 37.2 29.7 194 213 A F H <> S+ 0 0 3 -3,-1.8 4,-1.8 1,-0.2 5,-0.2 0.875 74.1 49.6 -62.1 -43.0 -22.0 35.7 27.1 195 214 A E H > S+ 0 0 68 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 112.5 47.7 -60.2 -47.9 -22.8 38.3 24.3 196 215 A Q H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.877 108.4 55.6 -62.2 -38.4 -22.1 41.2 26.7 197 216 A Q H X S+ 0 0 42 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.892 110.0 45.9 -58.3 -42.8 -18.9 39.5 27.9 198 217 A L H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.861 109.2 54.3 -71.4 -37.8 -17.7 39.4 24.3 199 218 A E H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 110.3 48.6 -58.0 -43.6 -18.8 43.0 23.6 200 219 A D H X S+ 0 0 89 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.933 114.1 43.7 -64.4 -47.9 -16.7 44.1 26.7 201 220 A I H X S+ 0 0 15 -4,-2.2 4,-1.6 2,-0.2 3,-0.2 0.929 114.0 51.2 -63.6 -45.4 -13.6 42.1 25.6 202 221 A F H X S+ 0 0 9 -4,-2.9 4,-2.2 1,-0.2 3,-0.4 0.928 106.8 53.8 -57.8 -44.9 -13.9 43.3 22.0 203 222 A A H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 107.1 52.5 -59.8 -34.5 -14.2 47.0 23.1 204 223 A D H < S+ 0 0 129 -4,-1.5 4,-0.3 -3,-0.2 -1,-0.2 0.845 116.6 37.5 -68.0 -35.9 -10.9 46.6 25.1 205 224 A I H >X S+ 0 0 13 -4,-1.6 4,-1.7 -3,-0.4 3,-0.6 0.676 95.4 86.6 -91.0 -20.0 -9.0 45.2 22.0 206 225 A R H 3X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.840 82.1 57.1 -51.2 -44.4 -10.7 47.5 19.4 207 226 A P H 3> S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.904 106.8 50.0 -58.2 -39.8 -8.3 50.4 19.8 208 227 A L H <> S+ 0 0 20 -3,-0.6 4,-2.1 -4,-0.3 -2,-0.2 0.908 108.6 52.5 -62.0 -43.2 -5.3 48.2 19.0 209 228 A Y H X S+ 0 0 3 -4,-1.7 4,-3.2 1,-0.2 -1,-0.2 0.914 107.0 52.9 -56.8 -44.4 -7.2 46.9 15.9 210 229 A Q H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 376,-0.4 0.842 108.1 50.4 -62.9 -34.9 -7.8 50.5 14.7 211 230 A Q H X S+ 0 0 39 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.891 113.0 45.8 -66.7 -41.7 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