==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-08 3DCN . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLOMERELLA CINGULATA; . AUTHOR M.P.NYON,D.W.RICE,J.M.BERRISFORD,A.M.HOUNSLOW,A.J.G.MOIR, . 195 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.3 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 1 1 1 0 0 1 0 0 1 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 29 A D 0 0 131 0, 0.0 44,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.9 4.4 -23.8 18.0 2 30 A P - 0 0 107 0, 0.0 2,-0.6 0, 0.0 43,-0.0 -0.256 360.0-138.7 -52.9 139.9 4.7 -19.9 17.9 3 31 A Q - 0 0 106 42,-0.0 2,-0.7 2,-0.0 3,-0.1 -0.930 20.9-174.9-107.5 111.6 4.5 -18.7 14.2 4 32 A S - 0 0 43 -2,-0.6 3,-0.0 1,-0.1 0, 0.0 -0.920 13.0-175.0-112.9 106.3 7.0 -16.0 13.6 5 33 A S S S+ 0 0 38 -2,-0.7 30,-2.6 1,-0.1 29,-1.9 0.555 77.1 57.9 -71.7 -10.7 6.7 -14.5 10.2 6 34 A T + 0 0 80 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.977 63.5 169.9-125.9 118.0 9.8 -12.3 10.9 7 35 A R + 0 0 22 -2,-0.5 53,-2.5 1,-0.1 3,-0.1 -0.998 9.3 164.5-129.4 125.4 13.0 -14.1 11.8 8 36 A N B > +A 59 0A 59 -2,-0.4 4,-2.4 51,-0.2 5,-0.3 -0.039 26.9 131.5-132.8 34.5 16.3 -12.1 12.0 9 37 A E T 4 S+ 0 0 55 49,-2.0 4,-0.4 1,-0.2 50,-0.2 0.661 78.0 46.4 -71.2 -22.2 18.6 -14.5 13.9 10 38 A L T 4 S+ 0 0 0 48,-0.2 -1,-0.2 2,-0.2 49,-0.1 0.863 111.9 51.9 -76.9 -48.6 21.5 -14.1 11.4 11 39 A E T 4 S+ 0 0 67 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.1 0.908 122.6 30.0 -49.4 -49.1 21.1 -10.3 11.3 12 40 A T S < S+ 0 0 115 -4,-2.4 -1,-0.2 2,-0.1 -3,-0.2 0.565 96.3 118.3 -95.5 -11.0 21.3 -10.0 15.1 13 41 A G - 0 0 12 -4,-0.4 2,-0.4 -5,-0.3 5,-0.1 -0.234 60.7-127.8 -62.2 146.8 23.5 -13.0 15.7 14 42 A S > - 0 0 59 3,-0.1 3,-2.7 1,-0.1 -1,-0.1 -0.803 7.4-137.7 -99.5 129.4 26.9 -12.6 17.3 15 43 A S T 3 S+ 0 0 89 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.484 108.8 63.6 -61.9 -2.9 30.1 -14.1 15.7 16 44 A S T 3 S+ 0 0 109 1,-0.1 -1,-0.3 81,-0.0 -3,-0.0 0.562 107.0 40.7 -92.1 -14.4 30.8 -15.1 19.3 17 45 A A S < S+ 0 0 61 -3,-2.7 -2,-0.2 2,-0.0 -1,-0.1 -0.088 77.8 172.4-125.2 39.4 27.8 -17.4 19.4 18 46 A a - 0 0 58 -3,-0.2 -3,-0.1 78,-0.2 2,-0.1 -0.209 24.1-138.0 -51.1 129.4 27.8 -19.1 16.0 19 47 A P - 0 0 9 0, 0.0 36,-0.1 0, 0.0 37,-0.1 -0.284 18.0-115.0 -82.3 169.4 25.1 -21.9 15.8 20 48 A K S S+ 0 0 100 35,-0.3 81,-2.8 1,-0.2 2,-0.4 0.863 102.2 32.6 -68.1 -39.5 25.5 -25.4 14.2 21 49 A V E -bc 56 101A 0 34,-1.8 36,-2.4 79,-0.2 2,-0.5 -0.965 61.3-164.4-125.6 133.5 22.9 -24.5 11.5 22 50 A I E -bc 57 102A 0 79,-2.8 81,-2.7 -2,-0.4 2,-0.6 -0.990 15.9-162.7-110.8 123.6 22.0 -21.2 9.8 23 51 A Y E -bc 58 103A 0 34,-4.0 36,-3.3 -2,-0.5 2,-0.5 -0.921 6.1-172.9-115.7 109.8 18.6 -21.5 8.0 24 52 A I E -bc 59 104A 0 79,-2.7 81,-2.0 -2,-0.6 2,-0.4 -0.891 6.9-174.7-104.9 133.9 17.9 -18.9 5.4 25 53 A F E -bc 60 105A 0 34,-2.7 36,-1.9 -2,-0.5 2,-0.5 -0.973 19.1-158.2-137.9 134.7 14.4 -18.7 3.8 26 54 A A E - c 0 106A 0 79,-2.1 81,-1.8 -2,-0.4 84,-0.2 -0.951 25.7-142.1-110.3 120.8 12.6 -16.7 1.0 27 55 A R - 0 0 17 -2,-0.5 83,-0.3 7,-0.5 86,-0.1 -0.083 17.9 -97.2 -79.1 173.7 8.8 -16.6 1.2 28 56 A A > - 0 0 5 81,-0.2 3,-1.6 1,-0.2 80,-0.1 -0.391 56.3 -68.2 -84.3 162.0 6.1 -16.7 -1.5 29 57 A S T 3 S+ 0 0 5 1,-0.2 39,-0.2 -2,-0.1 -1,-0.2 -0.273 119.5 12.3 -46.0 130.5 4.3 -13.7 -3.1 30 58 A T T 3 S+ 0 0 106 37,-2.6 -1,-0.2 1,-0.3 38,-0.1 0.204 91.1 135.8 83.5 -13.0 2.0 -11.9 -0.6 31 59 A E < - 0 0 19 -3,-1.6 -1,-0.3 36,-0.1 5,-0.1 -0.453 54.1-116.5 -68.3 140.3 3.4 -13.6 2.5 32 60 A P > + 0 0 60 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.217 70.0 0.6 -71.7 159.7 4.1 -11.4 5.5 33 61 A G T 4 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 4,-0.1 -0.266 104.1 -64.0 68.0-147.1 7.4 -10.7 7.2 34 62 A N T 4 S+ 0 0 6 -29,-1.9 27,-1.1 2,-0.2 -7,-0.5 0.420 134.4 43.1-119.5 -5.4 10.6 -12.3 5.8 35 63 A M T 4 S- 0 0 0 -30,-2.6 5,-0.4 -3,-0.3 3,-0.4 0.587 92.9-147.7-108.5 -17.3 9.6 -15.9 6.5 36 64 A G < - 0 0 0 -4,-1.7 -1,-0.2 -31,-0.7 -2,-0.2 -0.338 30.0 -88.1 67.2-162.5 5.9 -15.9 5.4 37 65 A I S S+ 0 0 104 3,-0.1 -1,-0.2 -4,-0.1 -32,-0.1 0.167 102.4 45.7-135.3 14.1 3.5 -18.2 7.2 38 66 A S S > S+ 0 0 13 -3,-0.4 4,-1.9 -10,-0.0 5,-0.2 0.273 118.1 4.8-124.1-105.5 3.6 -21.5 5.4 39 67 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.886 122.2 64.1 -55.7 -41.4 6.7 -23.5 4.3 40 68 A G H > S+ 0 0 0 -5,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.933 111.9 30.4 -46.2 -68.0 9.1 -21.0 6.0 41 69 A P H > S+ 0 0 2 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.798 115.5 60.5 -68.0 -28.3 8.1 -21.5 9.6 42 70 A I H X S+ 0 0 34 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.949 112.0 39.9 -61.6 -49.0 7.1 -25.1 9.1 43 71 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.904 114.6 54.8 -62.8 -42.1 10.7 -25.8 8.0 44 72 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.939 112.6 42.1 -54.6 -52.2 12.0 -23.4 10.8 45 73 A D H X S+ 0 0 17 -4,-3.4 4,-1.4 2,-0.2 -2,-0.2 0.925 112.9 53.5 -60.0 -47.9 10.0 -25.4 13.5 46 74 A A H < S+ 0 0 3 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.871 113.5 42.1 -58.3 -44.3 11.0 -28.8 12.0 47 75 A L H >X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.6 0.846 110.0 56.6 -68.5 -40.3 14.7 -27.9 12.1 48 76 A E H 3X S+ 0 0 32 -4,-2.2 4,-1.3 1,-0.3 5,-0.3 0.735 108.6 48.7 -67.6 -21.5 14.6 -26.3 15.6 49 77 A R H 3< S+ 0 0 166 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.547 110.0 51.2 -95.5 -12.1 13.2 -29.5 17.0 50 78 A I H <4 S+ 0 0 43 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.1 0.859 133.4 10.7 -79.9 -40.3 15.9 -31.6 15.3 51 79 A Y H < S- 0 0 41 -4,-2.3 4,-0.3 1,-0.0 -2,-0.2 0.383 111.8 -97.2-121.6 -1.8 18.8 -29.4 16.7 52 80 A G >< - 0 0 24 -4,-1.3 3,-1.4 -5,-0.2 -3,-0.2 0.442 31.0 -98.9 82.7 134.4 17.3 -27.1 19.3 53 81 A A G > S+ 0 0 57 1,-0.3 3,-0.8 -5,-0.3 -1,-0.1 0.777 123.1 58.3 -54.3 -29.7 16.3 -23.4 18.8 54 82 A N G 3 S+ 0 0 137 1,-0.2 -1,-0.3 -6,-0.2 -2,-0.1 0.795 104.8 49.2 -69.0 -30.4 19.7 -22.4 20.3 55 83 A D G < S+ 0 0 54 -3,-1.4 -34,-1.8 -4,-0.3 2,-0.4 0.099 105.7 64.7-102.3 17.7 21.7 -24.3 17.7 56 84 A V E < - b 0 21A 0 -3,-0.8 2,-0.5 -36,-0.2 -34,-0.2 -0.986 64.5-154.9-138.6 126.4 19.8 -22.9 14.6 57 85 A W E - b 0 22A 24 -36,-2.4 -34,-4.0 -2,-0.4 2,-0.5 -0.935 15.5-154.7 -96.6 128.3 19.7 -19.3 13.4 58 86 A V E + b 0 23A 0 -2,-0.5 -49,-2.0 -36,-0.2 2,-0.4 -0.930 16.9 178.3-107.6 123.7 16.5 -18.7 11.4 59 87 A Q E -Ab 8 24A 1 -36,-3.3 -34,-2.7 -2,-0.5 2,-0.2 -0.989 15.4-154.0-131.7 122.6 16.7 -15.9 8.9 60 88 A G E - b 0 25A 0 -53,-2.5 2,-1.0 -2,-0.4 -25,-0.2 -0.599 25.4-120.3 -83.3 155.7 14.2 -14.5 6.4 61 89 A V + 0 0 0 -36,-1.9 -34,-0.3 -27,-1.1 25,-0.1 -0.863 61.6 137.2 -93.0 97.2 15.1 -12.7 3.1 62 90 A G > + 0 0 10 -2,-1.0 3,-2.2 23,-0.1 5,-0.1 0.083 25.5 73.1-112.5-132.3 13.3 -9.4 3.8 63 91 A G T 3 S+ 0 0 64 1,-0.3 19,-0.1 -2,-0.1 -2,-0.0 -0.335 118.7 7.1 51.5-120.1 14.3 -5.8 3.3 64 92 A P T 3 S+ 0 0 63 0, 0.0 2,-1.5 0, 0.0 18,-0.3 0.612 106.6 95.6 -71.7 -15.5 14.1 -5.2 -0.5 65 93 A Y < + 0 0 1 -3,-2.2 -2,-0.0 16,-0.2 -4,-0.0 -0.625 49.5 171.1 -68.7 93.2 12.5 -8.6 -1.2 66 94 A L - 0 0 121 -2,-1.5 -36,-0.2 -4,-0.0 -1,-0.2 0.607 35.2-136.5 -82.6 -11.8 8.9 -7.3 -1.2 67 95 A A + 0 0 3 1,-0.2 -37,-2.6 -38,-0.1 -36,-0.1 0.878 42.2 167.6 51.9 47.2 7.4 -10.6 -2.5 68 96 A D - 0 0 61 -39,-0.2 4,-0.4 1,-0.1 3,-0.2 -0.453 44.5-120.0 -86.8 160.1 5.0 -8.7 -5.0 69 97 A L S > S+ 0 0 85 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.937 104.8 60.4 -67.0 -46.8 3.1 -10.4 -7.8 70 98 A A G > S+ 0 0 73 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.825 93.3 65.4 -54.1 -37.7 4.6 -8.5 -10.8 71 99 A S G > S+ 0 0 13 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.741 85.8 71.5 -61.9 -24.1 8.2 -9.7 -10.1 72 100 A N G < S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.4 99,-0.2 0.753 95.0 55.2 -56.7 -27.8 7.3 -13.3 -10.9 73 101 A F G < S+ 0 0 111 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.676 82.8 102.1 -86.8 -19.6 7.0 -12.4 -14.5 74 102 A L S X S- 0 0 86 -3,-0.8 3,-2.2 -4,-0.5 5,-0.0 -0.223 92.2 -99.6 -60.2 154.3 10.5 -10.9 -14.9 75 103 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.851 125.2 45.6 -47.3 -44.2 13.1 -13.2 -16.7 76 104 A D T 3 S- 0 0 102 2,-0.3 40,-0.1 1,-0.1 3,-0.1 0.585 112.9-118.4 -78.2 -10.5 14.6 -14.3 -13.4 77 105 A G S < S+ 0 0 0 -3,-2.2 2,-0.3 1,-0.2 35,-0.2 0.541 89.5 34.9 82.8 7.8 11.1 -14.9 -11.7 78 106 A T S S- 0 0 2 34,-0.2 -2,-0.3 33,-0.1 -1,-0.2 -0.923 100.0 -66.5-169.1-177.3 11.8 -12.3 -9.1 79 107 A S > - 0 0 22 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.480 27.9-129.3 -85.7 152.6 13.5 -9.0 -8.7 80 108 A S H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.874 112.0 59.0 -59.9 -37.1 17.3 -8.2 -8.8 81 109 A A H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -16,-0.2 0.912 106.5 45.2 -59.6 -45.5 16.8 -6.4 -5.5 82 110 A A H > S+ 0 0 0 -18,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.923 112.5 51.5 -63.0 -47.5 15.5 -9.6 -3.8 83 111 A I H X S+ 0 0 8 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.931 110.9 48.8 -55.8 -47.6 18.3 -11.7 -5.3 84 112 A N H X S+ 0 0 86 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.815 108.9 52.3 -63.7 -33.7 20.9 -9.2 -4.1 85 113 A E H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.901 110.4 47.9 -68.1 -45.4 19.5 -9.2 -0.6 86 114 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.936 110.6 51.9 -60.9 -43.7 19.6 -13.0 -0.5 87 115 A R H X S+ 0 0 80 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.935 108.0 53.4 -53.1 -44.7 23.3 -12.8 -1.7 88 116 A R H X S+ 0 0 101 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.859 109.3 47.7 -62.2 -36.6 24.0 -10.4 1.1 89 117 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.903 110.3 50.2 -76.5 -40.1 22.6 -12.8 3.7 90 118 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.913 113.1 47.4 -56.9 -46.9 24.5 -15.8 2.5 91 119 A T H X S+ 0 0 62 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.903 110.3 52.8 -60.0 -42.8 27.7 -13.7 2.5 92 120 A L H X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.847 108.3 51.0 -62.9 -37.2 26.8 -12.5 6.0 93 121 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 7,-0.2 0.902 113.5 43.6 -62.1 -45.2 26.4 -16.1 7.2 94 122 A N H < S+ 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.886 117.0 47.6 -68.7 -39.5 29.8 -17.1 5.7 95 123 A T H < S+ 0 0 98 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.944 121.1 35.2 -63.6 -54.9 31.4 -13.9 7.1 96 124 A K H < S+ 0 0 37 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.898 137.6 14.3 -69.0 -45.8 29.9 -14.2 10.6 97 125 A a >< + 0 0 1 -4,-2.8 3,-1.7 -5,-0.3 -1,-0.2 -0.574 61.5 168.5-138.3 73.3 30.0 -18.1 10.9 98 126 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.651 81.7 51.2 -63.9 -16.3 32.2 -19.8 8.3 99 127 A N T 3 S+ 0 0 164 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.508 88.2 102.0 -99.5 -4.2 32.1 -23.1 10.1 100 128 A A S < S- 0 0 6 -3,-1.7 2,-0.7 -7,-0.2 -79,-0.2 -0.447 79.4-112.0 -78.4 146.9 28.3 -23.3 10.4 101 129 A A E -c 21 0A 13 -81,-2.8 -79,-2.8 -2,-0.1 2,-0.5 -0.770 31.3-151.2 -74.8 115.0 26.1 -25.4 8.1 102 130 A I E +cd 22 129A 0 26,-2.2 28,-3.1 -2,-0.7 29,-0.9 -0.771 20.8 171.3 -85.4 131.2 24.0 -23.1 5.8 103 131 A V E +cd 23 131A 0 -81,-2.7 -79,-2.7 -2,-0.5 2,-0.3 -0.955 6.7 179.5-129.0 153.8 20.7 -24.5 4.7 104 132 A S E -cd 24 132A 0 27,-1.6 29,-2.0 -2,-0.3 2,-0.3 -0.983 10.2-167.9-148.1 166.2 18.0 -22.6 2.8 105 133 A G E -cd 25 133A 0 -81,-2.0 -79,-2.1 -2,-0.3 2,-0.3 -0.958 4.1-164.2-152.4 167.4 14.6 -22.8 1.3 106 134 A G E -cd 26 134A 0 27,-1.7 29,-2.5 -2,-0.3 2,-0.4 -0.980 8.3-153.1-149.4 147.8 12.2 -21.0 -1.0 107 135 A Y E > - d 0 135A 14 -81,-1.8 3,-2.2 -2,-0.3 29,-0.2 -0.995 65.4 -43.9-126.7 130.1 8.5 -21.4 -1.7 108 136 A S T >> S+ 0 0 8 27,-2.5 3,-2.0 -2,-0.4 4,-0.7 -0.246 140.8 13.0 52.9-119.5 7.0 -20.2 -5.1 109 137 A Q H >> S+ 0 0 1 1,-0.3 4,-1.4 2,-0.2 3,-1.3 0.858 124.4 65.7 -50.1 -35.4 8.6 -16.8 -5.8 110 138 A G H <> S+ 0 0 0 -3,-2.2 4,-1.9 1,-0.3 -1,-0.3 0.702 92.7 61.3 -64.6 -20.9 11.2 -17.4 -3.0 111 139 A T H <> S+ 0 0 0 -3,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.804 102.7 50.1 -73.7 -32.6 12.6 -20.3 -5.1 112 140 A A H < S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.2 4,-0.3 0.938 116.2 47.2 -79.5 -49.8 21.2 -15.5 -5.6 118 146 A I H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.829 102.1 64.3 -68.0 -33.2 22.9 -18.9 -5.0 119 147 A S T 3< S+ 0 0 26 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.1 0.773 105.4 46.8 -60.4 -25.0 23.9 -19.3 -8.6 120 148 A G T < S+ 0 0 44 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.397 88.5 112.7 -94.5 -2.2 26.2 -16.2 -8.2 121 149 A L S < S- 0 0 14 -3,-1.5 -3,-0.0 -4,-0.3 -34,-0.0 -0.346 72.4 -95.1 -78.3 154.5 27.9 -17.1 -5.0 122 150 A S > - 0 0 59 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.163 33.6-110.1 -55.8 157.7 31.6 -18.0 -4.5 123 151 A T H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 120.6 52.5 -53.5 -46.8 32.9 -21.6 -4.5 124 152 A T H > S+ 0 0 93 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.888 111.1 42.7 -56.3 -46.7 33.5 -21.1 -0.8 125 153 A I H > S+ 0 0 13 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.934 113.6 52.7 -72.7 -39.0 30.1 -19.8 0.2 126 154 A K H >< S+ 0 0 38 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.915 106.4 53.9 -60.8 -39.5 28.4 -22.5 -2.1 127 155 A N H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 104.0 55.6 -64.8 -33.1 30.4 -25.2 -0.3 128 156 A Q H 3< S+ 0 0 10 -4,-1.4 -26,-2.2 -3,-0.3 2,-1.0 0.765 89.1 85.6 -65.7 -26.9 29.1 -23.8 3.0 129 157 A I E << +d 102 0A 0 -4,-1.3 -26,-0.2 -3,-0.6 3,-0.1 -0.675 57.8 179.1 -81.6 105.6 25.4 -24.3 1.8 130 158 A K E + 0 0 79 -28,-3.1 2,-0.3 -2,-1.0 -27,-0.2 0.758 60.4 2.2 -81.0 -25.5 24.8 -27.9 2.6 131 159 A G E -d 103 0A 0 -29,-0.9 -27,-1.6 2,-0.0 2,-0.3 -0.979 53.8-165.1-168.7 145.2 21.2 -28.2 1.4 132 160 A V E -de 104 155A 0 22,-1.9 24,-2.9 -2,-0.3 2,-0.4 -0.991 7.6-159.7-141.4 130.9 18.5 -26.2 -0.4 133 161 A V E -de 105 156A 0 -29,-2.0 -27,-1.7 -2,-0.3 2,-0.6 -0.942 3.4-165.2-120.2 127.5 14.8 -27.0 -0.6 134 162 A L E > -de 106 157A 0 22,-2.7 24,-2.8 -2,-0.4 3,-0.7 -0.886 3.8-164.3-122.2 98.1 12.6 -25.4 -3.3 135 163 A F E 3 S-de 107 158A 0 -29,-2.5 -27,-2.5 -2,-0.6 -24,-0.2 -0.739 79.4 -4.0 -85.6 125.5 8.9 -25.8 -2.8 136 164 A G T 3 S- 0 0 1 22,-3.0 2,-0.3 -2,-0.5 -1,-0.3 0.922 85.3-151.3 57.5 49.0 6.8 -25.0 -5.9 137 165 A Y X - 0 0 0 -3,-0.7 3,-1.6 21,-0.6 4,-0.2 -0.308 6.6-160.5 -56.7 107.2 10.0 -24.1 -7.9 138 166 A T T 3 S+ 0 0 6 -30,-0.6 -1,-0.2 -2,-0.3 4,-0.1 0.608 90.3 43.0 -72.7 -14.2 8.6 -21.6 -10.4 139 167 A K T 3> S+ 0 0 37 1,-0.1 4,-2.7 2,-0.1 6,-0.3 -0.081 79.2 124.9-115.8 27.4 11.5 -22.0 -12.8 140 168 A N T <4>S+ 0 0 18 -3,-1.6 5,-2.8 25,-0.3 6,-0.3 0.943 79.6 32.3 -54.8 -57.4 11.6 -25.7 -12.4 141 169 A L T >45S+ 0 0 94 24,-0.3 3,-1.6 -4,-0.2 -1,-0.2 0.949 119.9 53.5 -69.0 -41.7 11.4 -26.7 -16.1 142 170 A Q T 345S+ 0 0 87 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.825 114.7 39.8 -59.8 -38.0 13.3 -23.5 -17.3 143 171 A N T ><5S- 0 0 50 -4,-2.7 3,-1.4 3,-0.0 -1,-0.3 0.168 113.4-114.1-101.1 15.7 16.3 -24.2 -15.0 144 172 A L T < 5 - 0 0 153 -3,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.820 67.0 -61.7 54.7 38.5 16.3 -27.9 -15.5 145 173 A G T 3 - 0 0 0 3,-0.4 3,-1.8 -2,-0.3 -31,-0.1 -0.944 52.4-108.1 -93.2 124.4 20.1 -24.1 -9.4 148 176 A P T 3 S+ 0 0 44 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.292 99.1 5.1 -51.8 135.5 22.7 -23.0 -12.0 149 177 A N T 3 S+ 0 0 111 1,-0.2 2,-0.4 -29,-0.1 -28,-0.0 0.592 108.1 108.2 65.8 16.3 26.3 -23.5 -10.8 150 178 A F S < S- 0 0 2 -3,-1.8 -3,-0.4 -24,-0.0 -1,-0.2 -0.990 83.2 -93.7-127.1 133.7 25.1 -25.2 -7.6 151 179 A E > - 0 0 95 -2,-0.4 3,-1.0 1,-0.2 4,-0.1 -0.188 23.4-149.0 -51.2 121.9 25.5 -28.9 -6.8 152 180 A T G > S+ 0 0 84 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.794 96.2 65.7 -61.2 -28.5 22.4 -30.8 -7.8 153 181 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.781 102.2 46.6 -63.4 -28.9 23.1 -33.3 -4.9 154 182 A K G < S+ 0 0 17 -3,-1.0 -22,-1.9 -23,-0.1 2,-0.4 0.381 103.0 86.0 -94.2 4.8 22.6 -30.5 -2.4 155 183 A T E < -e 132 0A 14 -3,-1.4 2,-0.5 -24,-0.2 -22,-0.2 -0.902 51.4-176.3-116.2 126.0 19.3 -29.4 -4.1 156 184 A E E -e 133 0A 72 -24,-2.9 -22,-2.7 -2,-0.4 2,-0.4 -0.964 8.7-159.8-121.9 123.7 15.8 -30.8 -3.6 157 185 A V E -e 134 0A 33 -2,-0.5 2,-0.5 -24,-0.2 -22,-0.2 -0.805 4.4-161.0 -92.9 133.4 12.7 -29.6 -5.7 158 186 A Y E +e 135 0A 16 -24,-2.8 -22,-3.0 -2,-0.4 -21,-0.6 -0.984 16.2 172.1-113.3 119.3 9.2 -30.2 -4.2 159 187 A b - 0 0 32 -2,-0.5 2,-0.3 -24,-0.2 5,-0.0 -0.993 20.2-153.5-124.5 138.2 6.4 -30.1 -6.8 160 188 A D > - 0 0 54 -2,-0.4 3,-1.3 1,-0.1 6,-0.2 -0.749 26.9-123.4 -99.5 154.4 2.7 -31.0 -6.3 161 189 A I T 3 S+ 0 0 146 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.825 111.7 61.0 -72.3 -26.7 0.8 -32.1 -9.3 162 190 A A T 3 S+ 0 0 76 1,-0.1 2,-0.7 16,-0.1 -1,-0.3 0.313 87.4 88.2 -75.3 9.6 -1.8 -29.3 -8.8 163 191 A D X + 0 0 23 -3,-1.3 3,-0.9 1,-0.1 -1,-0.1 -0.828 50.7 173.3-117.0 88.9 1.1 -26.9 -9.2 164 192 A A G > >S+ 0 0 47 -2,-0.7 5,-2.2 1,-0.2 3,-1.3 0.670 73.2 69.5 -72.6 -18.4 1.4 -26.2 -13.0 165 193 A V G > 5S+ 0 0 11 1,-0.3 3,-0.8 3,-0.2 -25,-0.3 0.773 92.0 60.6 -71.3 -27.7 4.1 -23.5 -12.4 166 194 A b G < 5S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.587 107.5 47.5 -62.4 -16.5 6.5 -26.3 -11.4 167 195 A Y G < 5S- 0 0 103 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 -0.180 132.2 -75.6-132.4 34.4 5.9 -27.7 -14.9 168 196 A G T < 5S+ 0 0 34 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.130 84.3 134.3 97.0 -18.0 6.3 -24.8 -17.3 169 197 A T < - 0 0 72 -5,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.361 64.5 -98.9 -68.3 143.0 3.1 -22.9 -16.9 170 198 A L - 0 0 125 1,-0.2 -1,-0.1 -2,-0.0 -97,-0.1 -0.263 58.5 -75.9 -60.4 150.4 3.3 -19.1 -16.5 171 199 A F + 0 0 13 -99,-0.2 2,-0.3 -6,-0.1 -1,-0.2 -0.216 51.1 175.5 -59.4 133.8 3.0 -18.0 -13.0 172 200 A I - 0 0 119 -3,-0.1 -7,-0.1 -100,-0.0 -3,-0.0 -0.976 41.9-104.4-128.4 142.0 -0.3 -17.9 -11.1 173 201 A L - 0 0 75 -2,-0.3 2,-0.1 1,-0.1 -143,-0.0 -0.561 47.8-108.9 -66.0 119.5 -0.7 -17.0 -7.5 174 202 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.330 24.3-158.5 -58.4 123.0 -1.2 -20.3 -5.7 175 203 A A S S+ 0 0 92 1,-0.1 2,-0.4 -2,-0.1 -2,-0.0 0.737 78.5 29.7 -68.1 -31.8 -4.9 -20.6 -4.5 176 204 A H S S- 0 0 140 -3,-0.0 2,-0.6 0, 0.0 -1,-0.1 -0.988 84.5-114.9-131.7 143.1 -3.9 -23.2 -1.9 177 205 A F + 0 0 68 -2,-0.4 3,-0.3 1,-0.1 -2,-0.0 -0.688 35.8 178.6 -70.6 119.9 -0.8 -24.0 0.0 178 206 A L + 0 0 55 -2,-0.6 3,-0.2 1,-0.2 4,-0.2 0.451 59.0 70.3-104.9 -1.8 0.2 -27.4 -1.4 179 207 A Y > + 0 0 2 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.029 50.3 118.6-115.5 29.1 3.4 -28.2 0.5 180 208 A Q H > S+ 0 0 133 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.955 86.6 38.3 -59.2 -51.0 2.4 -28.9 4.1 181 209 A T H >>S+ 0 0 103 -3,-0.2 4,-2.3 2,-0.2 5,-1.0 0.903 116.4 51.2 -64.4 -49.4 3.8 -32.5 4.1 182 210 A D H 4>S+ 0 0 39 -4,-0.2 5,-3.2 1,-0.2 -1,-0.2 0.906 115.8 42.8 -53.5 -43.1 6.8 -31.6 1.9 183 211 A A H <5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 119.9 41.2 -73.9 -32.2 7.7 -28.8 4.3 184 212 A A H <5S+ 0 0 43 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.754 133.9 6.3 -85.7 -31.6 7.0 -30.7 7.6 185 213 A V T X5S+ 0 0 84 -4,-2.3 4,-1.3 -5,-0.1 -3,-0.2 0.735 126.0 40.5-123.8 -71.9 8.5 -34.1 6.7 186 214 A A H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.794 113.7 50.8 -62.0 -29.2 13.7 -31.1 7.0 189 217 A R H X S+ 0 0 137 -4,-1.3 4,-1.9 -3,-0.3 -2,-0.2 0.883 109.0 50.4 -68.9 -43.0 14.8 -34.8 6.6 190 218 A F H < S+ 0 0 25 -4,-2.1 -3,-0.2 2,-0.2 -1,-0.1 0.908 115.5 43.8 -59.5 -41.6 16.6 -34.0 3.3 191 219 A L H >X S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-0.6 0.942 109.9 54.4 -71.4 -45.9 18.4 -31.0 5.0 192 220 A Q H >< S+ 0 0 72 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.855 104.5 55.7 -54.9 -41.0 19.2 -32.9 8.2 193 221 A A T 3< S+ 0 0 76 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.451 109.4 47.7 -69.0 -7.1 21.0 -35.6 6.1 194 222 A R T <4 0 0 88 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.360 360.0 360.0-115.9 -0.4 23.1 -32.9 4.6 195 223 A I << 0 0 57 -3,-0.9 -174,-0.1 -4,-0.6 -92,-0.0 -0.846 360.0 360.0 -98.2 360.0 24.1 -31.3 7.8