==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-08 3ESB . COMPND 2 MOLECULE: CUTINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI F. PISI; . AUTHOR L.RUTTEN,J.P.B.A.MANNIE,M.LUTZ,P.GROS . 199 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 1 0 0 0 0 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 16 A G 0 0 114 0, 0.0 2,-0.3 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 57.6 12.4 11.0 11.3 2 17 A R - 0 0 173 36,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.716 360.0-138.4 -96.7 147.3 12.6 7.2 10.8 3 18 A T S S+ 0 0 37 -2,-0.3 29,-2.1 1,-0.1 30,-1.9 0.389 84.7 63.2 -89.1 1.2 14.9 5.0 12.8 4 19 A T + 0 0 51 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.968 56.8 169.2-130.6 118.8 16.1 2.7 9.9 5 20 A R + 0 0 51 -2,-0.4 52,-1.9 49,-0.0 3,-0.1 -0.988 11.8 168.5-131.3 121.6 17.9 4.1 6.9 6 21 A D B > +A 56 0A 51 -2,-0.4 4,-2.4 50,-0.2 50,-0.2 -0.323 28.0 136.4-123.5 50.0 19.6 1.9 4.3 7 22 A D T 4 S+ 0 0 41 48,-2.1 49,-0.2 1,-0.2 -1,-0.1 0.838 74.9 45.7 -72.2 -34.9 20.4 4.5 1.6 8 23 A L T >4 S+ 0 0 0 47,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.907 115.5 45.6 -69.2 -44.3 23.9 3.2 0.9 9 24 A I T 34 S+ 0 0 69 1,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.919 123.6 35.0 -66.7 -46.8 22.9 -0.5 0.8 10 25 A N T 3< S+ 0 0 120 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.187 99.8 128.8 -88.5 12.2 19.9 0.2 -1.4 11 26 A G < - 0 0 9 -3,-0.6 2,-0.6 -5,-0.1 -3,-0.1 -0.322 59.0-126.8 -69.0 154.5 22.1 2.9 -3.0 12 27 A N > - 0 0 90 3,-0.5 3,-0.8 1,-0.1 -1,-0.1 -0.926 5.0-153.4-112.2 115.8 22.4 3.1 -6.8 13 28 A S T 3 S+ 0 0 85 -2,-0.6 3,-0.5 1,-0.2 -1,-0.1 0.752 101.1 50.8 -55.4 -25.0 25.9 3.1 -8.3 14 29 A A T 3 S+ 0 0 110 1,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.706 115.3 41.0 -90.3 -25.3 24.4 5.0 -11.3 15 30 A S S < S- 0 0 72 -3,-0.8 -3,-0.5 2,-0.0 -1,-0.2 -0.553 87.4-177.1-117.4 65.5 22.7 7.6 -9.1 16 31 A a - 0 0 51 -3,-0.5 2,-0.1 -2,-0.1 -3,-0.1 -0.305 21.4-129.5 -60.8 140.7 25.4 8.2 -6.6 17 32 A A - 0 0 2 1,-0.1 35,-0.2 -9,-0.0 79,-0.2 -0.415 9.5-135.8 -77.7 165.7 24.9 10.6 -3.7 18 33 A D S S+ 0 0 80 34,-0.5 80,-2.8 33,-0.3 2,-0.4 0.648 89.8 37.9-100.4 -20.1 27.5 13.3 -3.0 19 34 A V E -bc 53 98A 2 33,-0.9 35,-3.5 78,-0.3 2,-0.5 -0.997 67.4-163.3-131.9 135.1 27.6 12.7 0.7 20 35 A I E -bc 54 99A 1 78,-2.6 80,-2.4 -2,-0.4 2,-0.6 -0.987 4.8-162.5-122.1 124.5 27.4 9.4 2.5 21 36 A F E -bc 55 100A 0 33,-3.4 35,-3.8 -2,-0.5 2,-0.5 -0.924 4.0-171.4-111.0 118.3 26.6 9.3 6.3 22 37 A I E -bc 56 101A 0 78,-2.4 80,-1.7 -2,-0.6 2,-0.4 -0.947 12.3-178.8-115.1 119.6 27.3 6.1 8.2 23 38 A Y E -bc 57 102A 0 33,-2.8 35,-2.3 -2,-0.5 2,-0.5 -0.961 18.6-155.1-127.9 132.3 26.0 6.1 11.8 24 39 A A E - c 0 103A 0 78,-2.3 80,-1.8 -2,-0.4 87,-0.1 -0.915 18.6-144.8-108.9 120.3 26.2 3.5 14.6 25 40 A R - 0 0 23 -2,-0.5 82,-0.2 7,-0.4 9,-0.1 -0.111 23.1 -97.5 -72.6 173.5 23.4 3.6 17.3 26 41 A G > - 0 0 1 80,-0.2 3,-1.8 1,-0.2 79,-0.1 -0.379 57.8 -60.2 -87.0 172.1 23.8 2.9 21.1 27 42 A S T 3 S+ 0 0 16 1,-0.2 38,-0.2 -2,-0.1 -1,-0.2 -0.210 119.7 2.6 -54.8 136.7 23.1 -0.4 22.9 28 43 A T T 3 S+ 0 0 119 36,-2.6 -1,-0.2 35,-0.3 37,-0.1 0.442 94.3 150.2 68.3 4.5 19.5 -1.7 22.7 29 44 A E < - 0 0 30 -3,-1.8 -1,-0.2 35,-0.1 5,-0.1 -0.279 48.3-101.5 -74.3 153.8 18.4 1.2 20.4 30 45 A T S >> S- 0 0 92 3,-0.1 4,-1.8 2,-0.1 3,-0.6 -0.268 77.9 -15.9 -73.1 155.6 15.6 0.9 17.7 31 46 A G T 34 S- 0 0 33 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.167 105.8 -60.7 57.9-141.7 16.2 0.4 14.0 32 47 A N T 34 S+ 0 0 7 -29,-2.1 26,-0.6 2,-0.1 -7,-0.4 0.249 134.7 44.2-117.6 9.6 19.8 1.2 12.8 33 48 A L T X> S- 0 0 0 -30,-1.9 4,-1.8 -3,-0.6 3,-0.5 0.565 82.4-170.1-124.1 -19.8 19.9 4.9 13.9 34 49 A G T 3< - 0 0 2 -4,-1.8 -1,-0.1 -31,-0.6 -2,-0.1 -0.293 56.6 -30.1 65.8-148.0 18.3 4.9 17.4 35 50 A T T 34 S+ 0 0 93 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.756 139.4 34.5 -76.5 -33.7 17.4 8.1 19.1 36 51 A L T <> S+ 0 0 9 -3,-0.5 4,-1.5 2,-0.1 3,-0.5 0.794 99.0 75.0 -97.6 -33.0 20.1 10.5 17.7 37 52 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.4 0.881 94.0 51.3 -49.1 -53.4 20.5 9.2 14.1 38 53 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.871 106.8 54.3 -57.1 -38.9 17.3 10.6 12.7 39 54 A S H > S+ 0 0 31 -3,-0.5 4,-1.2 -4,-0.3 -2,-0.2 0.838 111.7 44.1 -63.5 -37.9 18.0 14.2 14.0 40 55 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.4 -1,-0.2 0.874 114.0 51.6 -71.3 -40.9 21.4 14.4 12.4 41 56 A A H X S+ 0 0 1 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.964 107.8 49.1 -61.0 -58.6 20.0 12.9 9.1 42 57 A S H X S+ 0 0 60 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.896 114.1 48.1 -49.6 -43.6 17.1 15.4 8.8 43 58 A N H X S+ 0 0 50 -4,-1.2 4,-1.4 -5,-0.2 -1,-0.2 0.873 111.7 48.4 -67.1 -39.4 19.5 18.2 9.4 44 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.891 109.2 55.5 -64.2 -43.7 22.0 16.8 6.8 45 60 A E H X S+ 0 0 24 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.913 106.0 48.7 -56.9 -49.1 19.2 16.4 4.3 46 61 A S H < S+ 0 0 103 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.5 45.0 -61.0 -34.7 18.1 20.1 4.5 47 62 A A H < S+ 0 0 30 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.848 129.2 23.0 -77.5 -37.3 21.8 21.2 4.0 48 63 A F H < S- 0 0 35 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.549 114.0-110.5-103.8 -9.2 22.7 18.8 1.2 49 64 A G >X - 0 0 31 -4,-2.4 3,-1.7 -5,-0.3 4,-0.6 0.093 37.4 -79.1 85.7 154.2 19.2 18.2 -0.2 50 65 A K T 34 S+ 0 0 157 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.745 136.9 39.5 -62.5 -21.7 17.3 14.9 0.1 51 66 A D T 34 S+ 0 0 152 -6,-0.1 -33,-0.3 -3,-0.1 -1,-0.3 0.341 100.5 75.6-104.4 1.3 19.4 13.6 -2.8 52 67 A G T <4 S+ 0 0 9 -3,-1.7 -33,-0.9 -7,-0.2 -34,-0.5 0.624 99.2 42.5 -82.5 -11.9 22.6 15.2 -1.7 53 68 A V E < - b 0 19A 1 -4,-0.6 2,-0.5 -35,-0.2 -33,-0.2 -0.996 62.6-150.4-144.3 124.9 23.2 12.7 1.0 54 69 A W E - b 0 20A 25 -35,-3.5 -33,-3.4 -2,-0.4 2,-0.6 -0.881 23.1-152.9 -88.3 125.8 22.9 8.9 1.5 55 70 A I E + b 0 21A 0 -2,-0.5 -48,-2.1 -35,-0.2 2,-0.4 -0.907 16.8 179.3-103.9 122.9 22.1 8.1 5.1 56 71 A Q E -Ab 6 22A 0 -35,-3.8 -33,-2.8 -2,-0.6 2,-0.2 -0.948 13.7-162.6-131.1 112.2 23.3 4.7 6.4 57 72 A G E - b 0 23A 0 -52,-1.9 2,-0.9 -2,-0.4 -33,-0.2 -0.588 34.3-109.7 -76.0 150.7 22.9 3.2 9.9 58 73 A V + 0 0 0 -35,-2.3 -33,-0.3 -26,-0.6 25,-0.1 -0.778 59.8 142.2 -84.9 102.2 25.1 0.3 10.9 59 74 A G > + 0 0 15 -2,-0.9 3,-2.3 23,-0.1 2,-0.1 0.161 32.3 70.4-107.1-130.2 22.8 -2.8 11.1 60 75 A G T 3 S+ 0 0 60 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.317 117.1 6.4 59.0-122.5 23.5 -6.3 10.0 61 76 A A T 3 S+ 0 0 44 17,-0.2 2,-1.0 -2,-0.1 -1,-0.3 0.538 110.1 95.2 -71.9 -11.9 26.1 -8.0 12.3 62 77 A Y < + 0 0 3 -3,-2.3 -1,-0.0 17,-0.2 13,-0.0 -0.767 45.8 168.8 -80.3 105.5 25.9 -5.0 14.7 63 78 A R - 0 0 186 -2,-1.0 -35,-0.3 2,-0.0 -1,-0.2 0.408 41.4-130.7 -97.5 -1.4 23.3 -6.0 17.2 64 79 A A - 0 0 2 1,-0.2 -36,-2.6 -37,-0.1 2,-0.3 0.901 38.3-174.3 51.6 46.5 24.0 -3.2 19.7 65 80 A T > - 0 0 63 -38,-0.2 3,-0.6 1,-0.1 4,-0.5 -0.546 27.7-138.9 -76.5 133.2 24.3 -5.7 22.5 66 81 A L G > S+ 0 0 119 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 0.917 101.3 54.1 -56.2 -48.2 24.7 -4.2 26.0 67 82 A G G > S+ 0 0 52 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.723 93.9 71.0 -61.7 -22.9 27.3 -6.9 27.1 68 83 A D G X S+ 0 0 41 -3,-0.6 3,-2.0 1,-0.3 -1,-0.3 0.734 80.5 73.5 -69.2 -23.9 29.5 -6.1 24.1 69 84 A N G < S+ 0 0 13 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.822 89.5 63.2 -51.3 -32.2 30.4 -2.7 25.7 70 85 A A G < S+ 0 0 84 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.485 81.7 102.7 -78.1 -4.2 32.5 -4.9 28.1 71 86 A L S X S- 0 0 72 -3,-2.0 3,-1.6 1,-0.1 5,-0.1 -0.429 90.7 -99.0 -78.9 156.9 34.8 -6.1 25.2 72 87 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.785 122.9 35.4 -48.2 -44.6 38.3 -4.5 24.8 73 88 A R T 3 S- 0 0 80 2,-0.5 40,-0.1 37,-0.0 3,-0.1 0.501 119.2-105.3 -91.0 -2.7 37.4 -2.1 22.0 74 89 A G S < S+ 0 0 0 -3,-1.6 2,-0.3 1,-0.3 36,-0.2 0.481 95.8 45.7 94.7 4.4 33.9 -1.4 23.5 75 90 A T S S- 0 0 5 34,-0.2 -2,-0.5 -6,-0.1 -1,-0.3 -0.940 93.6 -75.8-159.0 176.0 32.1 -3.5 20.9 76 91 A S > - 0 0 19 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.411 30.9-123.9 -78.3 157.3 32.3 -6.9 19.0 77 92 A S H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.834 114.4 56.6 -61.4 -39.3 34.8 -7.8 16.2 78 93 A A H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -17,-0.2 0.878 105.6 48.7 -57.7 -48.4 31.7 -8.6 14.1 79 94 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.924 110.7 52.9 -57.9 -46.8 30.2 -5.1 14.6 80 95 A I H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.873 110.6 44.7 -60.0 -40.7 33.6 -3.6 13.6 81 96 A R H X S+ 0 0 166 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.874 110.0 57.0 -74.8 -31.6 33.8 -5.6 10.4 82 97 A E H X S+ 0 0 53 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.901 113.1 39.7 -58.9 -43.0 30.1 -4.8 9.6 83 98 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.820 112.6 55.1 -78.0 -34.5 30.9 -1.0 9.8 84 99 A L H X S+ 0 0 25 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.884 107.0 53.0 -62.0 -39.7 34.3 -1.4 8.0 85 100 A G H X S+ 0 0 29 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.851 105.6 52.9 -59.8 -41.3 32.3 -3.1 5.2 86 101 A L H X S+ 0 0 4 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.895 107.4 50.6 -64.6 -42.8 29.9 -0.2 5.0 87 102 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.860 113.0 48.0 -57.7 -38.3 32.8 2.3 4.6 88 103 A Q H X S+ 0 0 90 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.870 107.3 53.4 -74.2 -40.9 34.2 0.1 1.8 89 104 A Q H X S+ 0 0 60 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.896 110.5 50.1 -58.2 -40.2 30.8 -0.2 0.1 90 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.943 109.1 49.8 -60.5 -52.8 30.7 3.6 0.1 91 106 A N H < S+ 0 0 51 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.821 118.1 41.8 -53.3 -35.4 34.3 3.8 -1.4 92 107 A T H < S+ 0 0 112 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.957 119.1 38.6 -83.2 -56.7 33.3 1.4 -4.1 93 108 A K H < S+ 0 0 47 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.948 133.7 21.4 -56.3 -51.2 29.7 2.5 -5.1 94 109 A a >< + 0 0 3 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 -0.652 63.5 170.3-128.0 74.8 30.5 6.2 -4.8 95 110 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.581 83.9 47.5 -64.0 -10.7 34.3 7.0 -5.1 96 111 A D T 3 S+ 0 0 133 -79,-0.2 -5,-0.1 2,-0.1 -78,-0.0 0.608 86.6 107.2-107.3 -20.9 33.6 10.7 -5.4 97 112 A A S < S- 0 0 7 -3,-0.9 2,-0.3 -7,-0.2 -78,-0.3 -0.291 72.3-122.0 -50.7 135.4 31.2 11.0 -2.4 98 113 A T E -c 19 0A 13 -80,-2.8 -78,-2.6 28,-0.1 2,-0.4 -0.676 28.9-134.2 -77.2 141.7 32.4 12.7 0.7 99 114 A L E +cd 20 126A 1 26,-2.8 28,-2.6 -2,-0.3 29,-0.8 -0.811 26.4 172.7-104.6 139.0 32.2 10.5 3.8 100 115 A I E -cd 21 128A 0 -80,-2.4 -78,-2.4 -2,-0.4 2,-0.3 -0.981 7.8-178.6-136.1 151.2 30.9 11.4 7.2 101 116 A A E +cd 22 129A 0 27,-1.9 29,-2.5 -2,-0.3 2,-0.3 -0.947 8.4 163.7-142.4 166.1 30.3 9.2 10.3 102 117 A G E -cd 23 130A 0 -80,-1.7 -78,-2.3 -2,-0.3 2,-0.3 -0.980 7.9-171.0-163.9 177.5 29.0 9.1 13.9 103 118 A G E -cd 24 131A 0 27,-1.4 29,-2.3 -2,-0.3 2,-0.4 -0.946 17.9-132.4-169.6 158.9 27.8 7.0 16.7 104 119 A Y E > - d 0 132A 21 -80,-1.8 3,-2.2 -2,-0.3 29,-0.2 -0.983 69.4 -38.6-119.1 129.1 26.3 7.2 20.2 105 120 A S T >> S+ 0 0 13 27,-2.9 4,-1.6 -2,-0.4 3,-1.2 -0.376 141.3 9.5 66.0-121.0 27.6 5.2 23.2 106 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.869 131.5 60.6 -57.1 -34.8 28.6 1.7 22.0 107 122 A G H <> S+ 0 0 0 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.806 101.2 51.7 -58.6 -31.2 28.1 3.2 18.5 108 123 A A H <> S+ 0 0 0 -3,-1.2 4,-2.1 24,-0.3 -1,-0.2 0.844 110.7 46.6 -76.2 -37.8 30.8 5.7 19.3 109 124 A A H X S+ 0 0 2 -4,-1.6 4,-1.7 -35,-0.2 -2,-0.2 0.901 113.6 50.7 -62.4 -46.0 33.3 3.0 20.3 110 125 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -36,-0.2 -2,-0.2 0.923 111.5 46.8 -57.3 -46.4 32.2 1.1 17.1 111 126 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.908 112.8 49.5 -63.1 -45.9 32.8 4.2 14.9 112 127 A A H X S+ 0 0 4 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.812 113.6 45.7 -59.4 -35.7 36.2 4.9 16.5 113 128 A A H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.903 112.3 49.0 -80.2 -43.7 37.4 1.3 16.1 114 129 A S H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.869 112.9 48.1 -61.1 -41.0 36.2 0.9 12.5 115 130 A I H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 108.8 54.2 -70.9 -37.7 37.9 4.2 11.6 116 131 A E H < S+ 0 0 61 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 115.3 40.3 -55.1 -43.5 41.1 3.1 13.3 117 132 A D H < S+ 0 0 74 -4,-1.9 -2,-0.2 -37,-0.1 -1,-0.2 0.611 92.4 111.4 -83.9 -20.9 41.1 -0.1 11.2 118 133 A L S < S- 0 0 3 -4,-1.4 -3,-0.0 -5,-0.1 -34,-0.0 -0.249 83.2 -92.5 -54.6 141.5 40.0 1.5 7.8 119 134 A D >> - 0 0 98 1,-0.1 4,-2.5 2,-0.0 3,-0.7 -0.310 41.0-119.7 -45.1 132.7 42.4 1.7 4.9 120 135 A S H 3> S+ 0 0 68 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.676 110.5 54.0 -60.1 -18.7 44.1 5.1 5.2 121 136 A A H 34 S+ 0 0 49 2,-0.2 4,-0.4 3,-0.1 -1,-0.2 0.806 109.5 44.4 -89.1 -34.8 42.7 6.3 1.9 122 137 A I H X4 S+ 0 0 9 -3,-0.7 3,-1.5 2,-0.2 4,-0.2 0.914 114.2 52.1 -64.7 -45.2 39.0 5.5 2.6 123 138 A R H >< S+ 0 0 37 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.769 100.1 64.2 -62.0 -27.4 39.6 7.1 6.0 124 139 A D T 3< S+ 0 0 100 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.758 97.6 55.9 -64.7 -27.1 41.0 10.1 4.1 125 140 A K T < S+ 0 0 59 -3,-1.5 -26,-2.8 -4,-0.4 2,-1.1 0.435 79.0 98.7 -87.4 -5.7 37.6 10.7 2.6 126 141 A I E < -d 99 0A 0 -3,-1.2 -26,-0.2 -4,-0.2 3,-0.1 -0.769 53.1-174.5 -86.4 98.0 35.8 10.9 6.0 127 142 A A E - 0 0 6 -28,-2.6 2,-0.3 -2,-1.1 -1,-0.2 0.857 63.6 -0.8 -64.7 -39.1 35.6 14.7 6.3 128 143 A G E -d 100 0A 0 -29,-0.8 -27,-1.9 -3,-0.1 2,-0.4 -0.997 55.8-160.3-151.4 155.0 34.1 14.6 9.8 129 144 A T E -de 101 152A 0 22,-2.3 24,-2.5 -2,-0.3 2,-0.4 -0.999 8.9-157.2-136.4 132.7 33.0 12.2 12.5 130 145 A V E -de 102 153A 0 -29,-2.5 -27,-1.4 -2,-0.4 2,-0.4 -0.933 8.8-169.7-108.5 135.1 30.6 13.0 15.5 131 146 A L E -de 103 154A 0 22,-2.4 24,-3.6 -2,-0.4 2,-0.4 -0.982 2.8-167.6-126.4 133.9 30.6 11.0 18.7 132 147 A F E S-de 104 155A 0 -29,-2.3 -27,-2.9 -2,-0.4 -24,-0.3 -0.935 75.9 -2.0-118.9 141.1 28.1 11.1 21.6 133 148 A G S S- 0 0 0 22,-2.0 2,-0.6 -2,-0.4 -1,-0.2 0.921 85.3-155.4 44.5 54.0 28.6 9.5 25.0 134 149 A Y > - 0 0 0 21,-0.3 3,-1.8 -3,-0.3 4,-0.3 -0.488 10.5-159.8 -69.1 107.6 31.9 8.2 23.7 135 150 A T T 3 S+ 0 0 3 -30,-0.7 4,-0.2 -2,-0.6 -1,-0.2 0.634 91.0 43.9 -71.7 -12.4 32.6 5.1 25.9 136 151 A K T 3> S+ 0 0 41 -31,-0.2 4,-3.1 1,-0.1 -1,-0.3 0.115 77.0 114.5-114.2 17.1 36.3 5.2 25.0 137 152 A N T <4>S+ 0 0 36 -3,-1.8 5,-2.5 25,-0.3 6,-0.3 0.920 84.8 37.7 -51.9 -50.3 36.8 9.0 25.5 138 153 A L T >45S+ 0 0 99 24,-0.3 3,-1.1 -4,-0.3 -1,-0.2 0.948 117.0 50.6 -68.3 -48.9 39.1 8.6 28.5 139 154 A Q T 345S+ 0 0 91 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.833 120.9 35.2 -61.7 -33.3 40.9 5.5 27.1 140 155 A N T ><5S- 0 0 53 -4,-3.1 3,-1.7 3,-0.1 -1,-0.3 0.238 108.8-119.6-104.3 9.6 41.6 7.3 23.8 141 156 A R T < 5S- 0 0 217 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.848 72.4 -53.7 59.0 39.0 42.1 10.8 25.2 142 157 A G T 3 - 0 0 0 3,-0.5 3,-1.7 -2,-0.2 -31,-0.1 -0.979 47.0-111.5 -98.4 124.2 39.7 8.4 17.4 145 160 A P T 3 S+ 0 0 29 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.317 98.2 12.3 -63.1 141.5 43.0 6.5 16.8 146 161 A N T 3 S+ 0 0 103 1,-0.1 -23,-0.0 -29,-0.1 -3,-0.0 0.483 110.9 100.9 72.1 8.4 44.6 7.1 13.4 147 162 A Y S < S- 0 0 5 -3,-1.7 -3,-0.5 -35,-0.0 -1,-0.1 -0.981 79.1-103.2-133.5 135.3 42.2 10.0 12.7 148 163 A P > - 0 0 49 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.227 17.6-134.6 -66.5 140.6 42.8 13.8 13.0 149 164 A A G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.804 105.1 60.5 -58.0 -33.1 41.5 15.7 16.0 150 165 A D G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.1 3,-0.0 0.547 104.8 48.5 -79.0 -9.0 40.2 18.5 13.6 151 166 A R G < S+ 0 0 60 -3,-1.4 -22,-2.3 -23,-0.1 2,-0.5 0.393 101.8 84.9 -98.5 -3.2 38.0 16.0 11.9 152 167 A T E < -e 129 0A 18 -3,-1.2 2,-0.5 -4,-0.3 -22,-0.2 -0.859 51.2-178.1-109.6 127.6 36.7 14.7 15.2 153 168 A K E -e 130 0A 83 -24,-2.5 -22,-2.4 -2,-0.5 2,-0.6 -0.908 9.2-168.3-125.4 111.8 33.9 16.2 17.3 154 169 A V E -e 131 0A 38 -2,-0.5 2,-0.9 -24,-0.2 -22,-0.2 -0.840 10.0-162.4-103.3 117.6 33.1 14.5 20.6 155 170 A F E +e 132 0A 19 -24,-3.6 -22,-2.0 -2,-0.6 2,-0.5 -0.858 26.4 157.7 -95.4 99.1 30.0 15.3 22.6 156 171 A b - 0 0 39 -2,-0.9 3,-0.1 -24,-0.2 17,-0.1 -0.938 30.7-142.4-124.1 101.7 30.8 14.1 26.1 157 172 A K > - 0 0 75 -2,-0.5 3,-2.2 15,-0.2 6,-0.2 -0.307 25.0 -97.1 -66.4 146.2 28.7 15.8 28.7 158 173 A T T 3 S+ 0 0 144 1,-0.3 -1,-0.1 14,-0.1 3,-0.1 -0.445 115.8 19.8 -50.4 123.6 29.8 16.8 32.2 159 174 A G T 3 S+ 0 0 43 1,-0.3 2,-1.0 -2,-0.2 -1,-0.3 0.535 84.4 130.8 80.6 5.2 28.7 13.9 34.5 160 175 A D X - 0 0 1 -3,-2.2 3,-1.2 12,-0.2 4,-0.3 -0.847 43.8-163.6 -84.3 104.2 28.4 11.4 31.6 161 176 A L G > >S+ 0 0 66 -2,-1.0 5,-2.0 1,-0.2 3,-0.8 0.713 80.0 66.9 -68.1 -20.1 30.4 8.7 33.4 162 177 A V G > 5S+ 0 0 2 6,-0.3 3,-0.7 1,-0.2 -24,-0.3 0.776 97.8 55.4 -70.7 -22.3 31.0 6.7 30.2 163 178 A b G < 5S+ 0 0 3 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.570 106.3 52.4 -85.0 -13.1 33.1 9.5 28.9 164 179 A T G < 5S- 0 0 88 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 -0.190 132.3 -76.3-118.7 40.3 35.3 9.4 32.0 165 180 A G T < 5S+ 0 0 37 -3,-0.7 2,-0.2 1,-0.3 -3,-0.2 0.502 98.9 98.5 90.1 10.4 36.3 5.7 32.0 166 181 A S < - 0 0 43 -5,-2.0 -1,-0.3 2,-0.1 -28,-0.1 -0.612 62.1-143.4-119.2 173.3 33.1 4.0 33.3 167 182 A L + 0 0 88 -2,-0.2 2,-0.3 -3,-0.1 -5,-0.1 0.160 61.0 123.2-121.8 15.9 30.0 2.2 31.9 168 183 A I - 0 0 104 -7,-0.1 2,-0.9 1,-0.1 -6,-0.3 -0.608 59.3-136.8 -73.5 132.5 27.6 3.6 34.4 169 184 A V + 0 0 86 -2,-0.3 2,-0.2 -8,-0.1 -9,-0.1 -0.844 28.5 177.2 -97.4 103.2 24.8 5.4 32.7 170 185 A A > - 0 0 27 -2,-0.9 3,-1.9 -11,-0.1 4,-0.4 -0.599 46.2 -90.7 -95.6 167.3 24.0 8.7 34.4 171 186 A A G > S+ 0 0 77 1,-0.3 3,-1.5 -2,-0.2 4,-0.1 0.740 120.1 60.9 -50.8 -40.6 21.4 11.3 33.3 172 187 A P G > S+ 0 0 33 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.749 94.2 66.3 -61.5 -22.6 23.7 13.5 31.0 173 188 A H G < S+ 0 0 6 -3,-1.9 3,-0.3 -14,-0.3 -2,-0.2 0.723 102.1 49.2 -66.0 -21.4 24.3 10.3 28.9 174 189 A L G < S+ 0 0 120 -3,-1.5 3,-0.3 -4,-0.4 -1,-0.3 0.399 94.6 77.1 -98.3 2.2 20.6 10.6 28.0 175 190 A A < + 0 0 45 -3,-1.2 4,-0.2 1,-0.2 -1,-0.2 0.045 54.3 106.4-107.4 25.6 20.7 14.3 27.1 176 191 A Y >> + 0 0 2 -3,-0.3 4,-2.4 1,-0.2 3,-0.7 0.542 47.8 100.5 -86.3 -6.7 22.4 14.4 23.6 177 192 A G H 3> S+ 0 0 19 -3,-0.3 4,-1.1 1,-0.3 -1,-0.2 0.823 83.6 45.9 -40.5 -54.3 19.2 15.2 21.7 178 193 A P H 3> S+ 0 0 73 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.773 111.6 52.8 -66.1 -28.9 19.9 18.9 21.3 179 194 A D H <4>S+ 0 0 28 -3,-0.7 5,-2.2 -4,-0.2 -2,-0.2 0.899 109.7 49.0 -67.6 -41.1 23.5 18.1 20.2 180 195 A A H <5S+ 0 0 0 -4,-2.4 -137,-0.2 1,-0.2 -1,-0.2 0.731 115.3 44.5 -69.9 -24.9 22.2 15.7 17.5 181 196 A R H <5S+ 0 0 143 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.691 131.2 9.3 -86.3 -24.6 19.7 18.4 16.3 182 197 A G T X5S+ 0 0 24 -4,-1.0 4,-2.0 -5,-0.1 -3,-0.2 0.678 122.2 26.7-122.2 -93.9 22.3 21.2 16.3 183 198 A P H >5S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 -3,-0.1 0.702 116.8 55.9 -61.1 -26.3 26.1 21.5 16.8 184 199 A A H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.910 114.8 56.8 -57.3 -40.2 25.1 18.1 12.1 186 201 A E H X S+ 0 0 118 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.890 106.9 48.6 -54.9 -43.9 26.5 21.7 11.8 187 202 A F H X S+ 0 0 34 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.931 113.8 46.2 -62.9 -44.7 30.0 20.3 12.4 188 203 A L H >X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.9 0.956 113.1 47.9 -64.0 -54.8 29.5 17.6 9.7 189 204 A I H 3X S+ 0 0 20 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.893 113.0 50.7 -47.1 -46.4 28.0 20.0 7.1 190 205 A E H 3X S+ 0 0 131 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.668 109.8 48.4 -73.2 -17.8 30.9 22.4 7.7 191 206 A K H << S+ 0 0 59 -4,-1.0 4,-0.2 -3,-0.9 -1,-0.2 0.843 114.0 46.0 -84.9 -39.9 33.6 19.7 7.3 192 207 A V H >X S+ 0 0 2 -4,-2.3 3,-1.5 2,-0.2 4,-0.9 0.920 112.1 51.1 -64.5 -48.7 32.1 18.5 4.0 193 208 A R H >< S+ 0 0 128 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.925 105.8 55.2 -57.8 -46.3 31.6 22.0 2.6 194 209 A A T 3< S+ 0 0 86 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.507 111.8 44.9 -66.8 -6.4 35.2 22.9 3.4 195 210 A V T <4 S+ 0 0 91 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.458 105.2 68.5-113.7 -7.1 36.4 19.9 1.3 196 211 A R S << S+ 0 0 98 -3,-1.1 3,-0.1 -4,-0.9 2,-0.1 -0.735 70.5 67.2-106.0 161.8 34.1 20.3 -1.7 197 212 A G S S- 0 0 68 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.198 84.8 -87.1 111.6 156.3 34.2 23.1 -4.3 198 213 A S 0 0 108 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 0.811 360.0 360.0 -67.6 -34.3 36.5 24.4 -7.0 199 214 A A 0 0 147 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.079 360.0 360.0 30.1 360.0 38.5 26.5 -4.6