==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(SERINE ESTERASE/INHIBITOR) 03-JUN-94 2CUT . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI; . AUTHOR C.MARTINEZ,C.CAMBILLAU . 198 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 70.7 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 . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 29.3 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 0 2 0 0 0 0 0 0 2 0 1 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 15 A L 0 0 151 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -68.4 19.8 -42.0 46.2 2 16 A G > - 0 0 51 3,-0.2 3,-2.2 1,-0.1 0, 0.0 -0.237 360.0 -76.7 104.5 151.1 19.1 -44.5 43.5 3 17 A R T 3 S+ 0 0 214 1,-0.3 -1,-0.1 -2,-0.1 3,-0.0 0.707 128.5 68.3 -58.5 -19.2 20.9 -44.7 40.2 4 18 A T T 3 S+ 0 0 44 -3,-0.1 30,-2.3 1,-0.1 29,-1.9 0.492 95.4 59.5 -80.5 -5.7 18.7 -41.7 39.1 5 19 A T < + 0 0 30 -3,-2.2 2,-0.4 27,-0.3 -3,-0.2 -0.986 56.8 172.5-134.5 129.9 20.5 -39.3 41.5 6 20 A R + 0 0 36 -2,-0.4 52,-2.4 -5,-0.1 3,-0.1 -0.991 10.8 168.3-141.2 118.0 24.2 -38.4 41.5 7 21 A D B > +A 57 0A 45 -2,-0.4 4,-2.9 50,-0.2 50,-0.2 -0.270 27.1 137.8-121.1 41.6 25.6 -35.7 43.6 8 22 A D T 4 S+ 0 0 39 48,-2.1 4,-0.3 1,-0.2 49,-0.2 0.839 76.4 45.6 -63.6 -35.5 29.4 -36.4 43.2 9 23 A L T >4 S+ 0 0 0 47,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.949 114.3 46.5 -69.7 -48.5 30.3 -32.7 42.8 10 24 A I T 34 S+ 0 0 69 1,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.929 120.5 39.9 -58.4 -44.8 28.2 -31.5 45.8 11 25 A N T 3< S+ 0 0 122 -4,-2.9 -1,-0.3 2,-0.0 -2,-0.2 0.506 104.6 86.3 -84.1 -3.1 29.5 -34.2 48.0 12 26 A G < - 0 0 9 -3,-1.0 2,-0.3 -4,-0.3 5,-0.1 -0.410 56.8-163.6 -96.0 173.5 33.0 -34.1 46.7 13 27 A N > - 0 0 84 -2,-0.1 3,-1.4 81,-0.0 4,-0.1 -0.914 39.9 -89.3-149.6 170.0 35.9 -31.9 47.9 14 28 A S G > S+ 0 0 79 -2,-0.3 3,-1.1 1,-0.3 -2,-0.0 0.812 121.1 58.9 -56.3 -30.9 39.3 -30.7 46.7 15 29 A A G 3 S+ 0 0 94 1,-0.2 -1,-0.3 80,-0.0 -3,-0.0 0.771 112.6 39.7 -74.2 -22.7 41.1 -33.7 48.3 16 30 A S G < S+ 0 0 59 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.076 82.8 158.1-113.0 29.4 39.0 -36.1 46.2 17 31 A a < - 0 0 48 -3,-1.1 2,-0.2 77,-0.2 -3,-0.1 -0.140 31.4-144.1 -54.8 137.2 38.8 -34.3 42.9 18 32 A A - 0 0 3 1,-0.1 35,-0.2 2,-0.1 36,-0.2 -0.595 18.3-122.8 -90.1 164.0 38.1 -36.4 39.8 19 33 A D S S+ 0 0 86 34,-0.6 80,-3.1 -2,-0.2 2,-0.4 0.751 98.0 37.3 -70.7 -30.8 39.9 -35.5 36.5 20 34 A V E -bc 54 99A 0 33,-1.5 35,-2.3 78,-0.3 2,-0.5 -0.985 67.1-164.8-127.4 136.3 36.5 -35.1 34.7 21 35 A I E -bc 55 100A 0 78,-2.2 80,-2.6 -2,-0.4 2,-0.5 -0.990 7.2-161.3-128.9 122.0 33.3 -33.6 36.1 22 36 A F E -bc 56 101A 0 33,-3.1 35,-2.6 -2,-0.5 2,-0.5 -0.932 3.1-167.6-107.3 120.5 30.1 -34.3 34.2 23 37 A I E -bc 57 102A 0 78,-2.3 80,-1.8 -2,-0.5 2,-0.4 -0.945 12.2-175.7-111.8 121.6 27.1 -32.0 34.9 24 38 A Y E -bc 58 103A 0 33,-2.5 35,-2.4 -2,-0.5 2,-0.5 -0.966 17.4-155.7-128.4 134.2 23.8 -33.1 33.4 25 39 A A E - c 0 104A 0 78,-2.4 80,-1.9 -2,-0.4 87,-0.1 -0.933 20.1-142.6-113.3 123.9 20.3 -31.6 33.3 26 40 A R - 0 0 8 -2,-0.5 82,-0.4 7,-0.4 9,-0.1 -0.128 22.9 -95.5 -77.1 169.2 17.3 -34.0 33.0 27 41 A G > - 0 0 1 80,-0.2 3,-1.8 1,-0.2 79,-0.1 -0.333 56.9 -67.0 -79.2 169.1 14.0 -33.5 31.0 28 42 A S T 3 S+ 0 0 16 1,-0.3 38,-0.2 38,-0.1 -1,-0.2 -0.318 119.9 7.3 -58.3 135.1 10.7 -32.1 32.3 29 43 A T T 3 S+ 0 0 116 36,-2.4 -1,-0.3 35,-0.3 37,-0.1 0.325 92.7 141.5 74.4 -1.2 9.1 -34.5 34.8 30 44 A E < - 0 0 28 -3,-1.8 -1,-0.2 35,-0.1 2,-0.1 -0.335 50.6-109.5 -73.5 156.0 12.0 -36.9 35.0 31 45 A T S > S- 0 0 95 3,-0.1 4,-2.2 2,-0.1 3,-0.4 -0.448 74.5 -4.0 -86.4 160.3 13.0 -38.5 38.3 32 46 A G T 4 S- 0 0 30 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.329 105.5 -67.5 62.8-145.0 16.0 -37.8 40.5 33 47 A N T 4 S+ 0 0 7 -29,-1.9 26,-0.7 2,-0.1 -7,-0.4 0.331 134.0 47.2-122.9 3.5 18.5 -35.4 38.9 34 48 A L T > S- 0 0 1 -30,-2.3 4,-1.6 -3,-0.4 3,-0.4 0.657 82.1-172.6-112.2 -22.6 19.5 -37.7 36.1 35 49 A G T < - 0 0 2 -4,-2.2 -1,-0.1 -31,-0.6 -2,-0.1 -0.267 56.3 -33.9 63.5-146.4 16.2 -38.9 34.7 36 50 A T T 4 S+ 0 0 92 1,-0.1 4,-0.3 2,-0.1 -1,-0.2 0.830 137.6 35.0 -84.9 -35.1 16.2 -41.7 32.1 37 51 A L T >> S+ 0 0 10 -3,-0.4 4,-1.5 1,-0.1 3,-0.6 0.784 99.4 74.6 -94.2 -30.1 19.2 -41.0 30.0 38 52 A G H 3X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.870 91.5 55.6 -53.3 -43.7 21.7 -39.7 32.6 39 53 A P H 3> S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.873 106.1 50.6 -64.4 -32.7 22.5 -43.1 34.2 40 54 A S H <> S+ 0 0 31 -3,-0.6 4,-1.6 -4,-0.3 -2,-0.2 0.927 111.4 47.4 -72.5 -39.0 23.6 -44.7 30.9 41 55 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 3,-0.2 0.958 112.2 52.0 -63.6 -44.2 25.9 -41.9 30.1 42 56 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.870 105.9 53.3 -58.9 -43.4 27.3 -42.1 33.7 43 57 A S H X S+ 0 0 62 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.908 111.8 45.5 -61.5 -40.0 28.0 -45.8 33.4 44 58 A N H X S+ 0 0 58 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.839 110.2 53.4 -69.4 -38.1 30.0 -45.4 30.2 45 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.930 108.2 50.7 -66.6 -38.5 31.9 -42.5 31.6 46 60 A E H X S+ 0 0 23 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.804 107.5 53.3 -72.6 -31.8 32.9 -44.5 34.6 47 61 A S H < S+ 0 0 105 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.3 43.0 -60.2 -41.3 34.1 -47.4 32.4 48 62 A A H < S+ 0 0 32 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.965 130.6 21.3 -74.1 -45.1 36.3 -45.0 30.5 49 63 A F H < S- 0 0 46 -4,-2.8 4,-0.2 -5,-0.2 -3,-0.2 0.556 107.8-112.1-104.2 -5.3 37.7 -43.0 33.4 50 64 A G >X - 0 0 31 -4,-1.6 3,-0.9 -5,-0.3 4,-0.7 0.199 36.5 -82.6 82.4 151.7 37.3 -45.3 36.3 51 65 A K G >4 S+ 0 0 138 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.850 133.1 45.6 -53.8 -40.9 34.8 -44.6 39.2 52 66 A D G 34 S+ 0 0 152 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.690 105.5 62.7 -76.6 -24.6 37.4 -42.4 40.9 53 67 A G G <4 S+ 0 0 8 -3,-0.9 -33,-1.5 -4,-0.2 -34,-0.6 0.567 102.3 46.1 -85.7 -8.1 38.3 -40.5 37.7 54 68 A V E << - b 0 20A 0 -4,-0.7 2,-0.5 -3,-0.6 -33,-0.2 -0.990 60.9-155.8-137.9 139.5 34.9 -38.9 36.9 55 69 A W E - b 0 21A 21 -35,-2.3 -33,-3.1 -2,-0.4 2,-0.5 -0.965 13.7-158.7-104.0 128.5 32.3 -37.0 39.1 56 70 A I E + b 0 22A 0 -2,-0.5 -48,-2.1 -35,-0.2 2,-0.4 -0.944 12.7 178.0-115.9 131.6 28.7 -37.1 37.8 57 71 A Q E -Ab 7 23A 3 -35,-2.6 -33,-2.5 -2,-0.5 -50,-0.2 -0.963 15.3-153.9-132.5 116.4 26.4 -34.4 39.0 58 72 A G E - b 0 24A 0 -52,-2.4 2,-0.8 -2,-0.4 -33,-0.2 -0.565 31.7-108.5 -85.7 154.5 22.8 -34.0 38.0 59 73 A V + 0 0 0 -35,-2.4 -33,-0.4 -26,-0.7 25,-0.1 -0.749 61.1 138.6 -86.9 112.6 21.2 -30.5 38.1 60 74 A G > + 0 0 12 -2,-0.8 3,-2.7 23,-0.1 5,-0.1 0.043 28.9 77.3-118.7-127.2 18.8 -30.5 41.0 61 75 A G T 3 S+ 0 0 51 1,-0.3 19,-0.1 -2,-0.1 -2,-0.0 -0.271 117.5 3.8 55.2-120.9 18.1 -27.8 43.7 62 76 A A T 3 S+ 0 0 41 17,-0.2 2,-1.3 1,-0.1 -1,-0.3 0.520 108.9 99.1 -75.8 -2.9 16.1 -25.1 42.1 63 77 A Y < + 0 0 0 -3,-2.7 -1,-0.1 1,-0.2 -2,-0.0 -0.714 41.7 167.0 -91.8 102.2 15.8 -27.0 38.8 64 78 A R - 0 0 139 -2,-1.3 -35,-0.3 2,-0.0 -1,-0.2 0.576 39.8-134.4 -89.3 -11.9 12.4 -28.5 39.2 65 79 A A - 0 0 2 1,-0.2 -36,-2.4 -37,-0.1 2,-0.3 0.895 36.0-177.8 54.2 50.5 12.0 -29.6 35.5 66 80 A T > - 0 0 61 -38,-0.2 3,-0.9 1,-0.1 4,-0.5 -0.567 30.9-136.5 -80.4 132.5 8.5 -28.2 35.4 67 81 A L G > S+ 0 0 113 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.918 103.1 59.4 -62.7 -35.1 6.7 -28.7 32.1 68 82 A G G > S+ 0 0 53 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.787 91.4 69.1 -67.8 -21.0 5.3 -25.1 32.2 69 83 A D G X S+ 0 0 35 -3,-0.9 3,-1.9 1,-0.3 -1,-0.3 0.739 79.7 77.9 -72.0 -14.4 8.9 -23.7 32.3 70 84 A N G < S+ 0 0 16 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.767 89.5 56.8 -60.2 -26.5 9.5 -24.8 28.7 71 85 A A G < S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.502 82.5 105.1 -87.9 -2.9 7.4 -21.8 27.6 72 86 A L S X S- 0 0 67 -3,-1.9 3,-2.3 -4,-0.2 5,-0.1 -0.434 90.6 -96.0 -72.6 157.0 9.6 -19.3 29.4 73 87 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.829 123.1 36.6 -43.9 -48.5 12.0 -17.2 27.0 74 88 A R T 3 S- 0 0 79 2,-0.5 40,-0.2 1,-0.0 3,-0.1 0.389 119.9-103.5 -91.9 6.0 15.1 -19.3 27.4 75 89 A G S < S+ 0 0 1 -3,-2.3 2,-0.3 1,-0.2 36,-0.2 0.560 99.1 40.9 88.4 6.5 13.2 -22.5 27.5 76 90 A T S S- 0 0 4 34,-0.1 -2,-0.5 35,-0.1 -1,-0.2 -0.925 96.5 -73.4-162.2-178.6 13.6 -22.9 31.3 77 91 A S > - 0 0 19 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.560 30.0-123.1 -90.7 155.4 13.5 -20.7 34.4 78 92 A S H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.862 113.3 56.4 -56.3 -41.2 16.0 -18.1 35.6 79 93 A A H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 105.1 50.8 -58.6 -42.7 16.3 -20.0 38.9 80 94 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 108.1 52.7 -64.7 -40.3 17.2 -23.2 37.1 81 95 A I H X S+ 0 0 5 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.938 108.8 50.2 -61.7 -42.9 20.0 -21.4 35.1 82 96 A R H X S+ 0 0 167 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.895 107.9 53.8 -64.5 -34.3 21.4 -20.0 38.3 83 97 A E H X S+ 0 0 58 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.959 113.6 41.2 -63.7 -48.9 21.4 -23.5 39.7 84 98 A M H >X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 3,-0.6 0.920 113.1 54.3 -66.5 -41.5 23.4 -24.9 36.8 85 99 A L H 3X S+ 0 0 23 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.922 107.3 52.2 -54.5 -46.1 25.7 -21.9 36.7 86 100 A G H 3X S+ 0 0 25 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.3 0.795 105.4 53.4 -66.1 -27.3 26.5 -22.4 40.3 87 101 A L H < + 0 0 4 -4,-2.8 3,-2.4 -5,-0.3 -1,-0.2 -0.640 64.7 176.0-142.0 74.8 38.8 -28.8 41.2 96 110 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.674 83.7 47.2 -57.4 -29.2 40.4 -26.1 39.1 97 111 A D T 3 S+ 0 0 137 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.287 84.1 109.6 -93.9 3.5 42.2 -28.6 36.9 98 112 A A S < S- 0 0 6 -3,-2.4 2,-0.4 -7,-0.2 -78,-0.3 -0.544 70.0-124.0 -77.0 152.1 39.3 -31.0 36.2 99 113 A T E -c 20 0A 15 -80,-3.1 -78,-2.2 -2,-0.2 2,-0.4 -0.762 28.6-142.0 -86.2 138.9 38.0 -31.0 32.6 100 114 A L E -cd 21 127A 0 26,-2.5 28,-2.2 -2,-0.4 29,-0.7 -0.826 20.5-179.6-105.1 145.7 34.3 -30.3 32.6 101 115 A I E -cd 22 129A 0 -80,-2.6 -78,-2.3 -2,-0.4 2,-0.3 -0.960 9.7-164.0-135.3 158.2 31.7 -32.0 30.3 102 116 A A E +cd 23 130A 0 27,-2.3 29,-2.0 -2,-0.3 2,-0.3 -0.882 10.6 174.3-143.6 162.9 28.0 -31.3 30.2 103 117 A G E +cd 24 131A 0 -80,-1.8 -78,-2.4 -2,-0.3 2,-0.3 -0.986 2.2 178.6-164.3 163.1 24.7 -32.7 29.0 104 118 A G E -cd 25 132A 0 27,-1.3 29,-2.8 -2,-0.3 2,-0.4 -0.947 17.6-140.7-170.5 151.2 20.9 -32.2 29.0 105 119 A Y E > - d 0 133A 16 -80,-1.9 3,-2.4 -2,-0.3 29,-0.2 -0.967 66.6 -42.3-121.8 131.0 17.7 -33.6 27.6 106 120 A S T >> S+ 0 0 12 27,-2.6 4,-1.7 -2,-0.4 30,-0.7 -0.285 138.8 9.5 58.6-117.3 14.7 -31.6 26.5 107 121 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.850 132.8 56.6 -59.6 -34.8 14.2 -28.7 29.0 108 122 A G H <> S+ 0 0 0 -3,-2.4 4,-2.7 -82,-0.4 -2,-0.3 0.819 103.0 54.8 -64.1 -29.1 17.6 -29.7 30.5 109 123 A A H <> S+ 0 0 0 -3,-0.7 4,-2.1 24,-0.3 -2,-0.2 0.899 109.9 45.2 -71.3 -39.3 19.2 -29.3 27.0 110 124 A A H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.902 114.0 51.1 -66.0 -39.5 17.8 -25.6 26.9 111 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 109.4 49.0 -62.0 -46.7 19.1 -25.2 30.5 112 126 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.958 113.6 48.3 -58.5 -43.8 22.6 -26.5 29.6 113 127 A A H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.886 113.0 44.7 -68.0 -40.2 22.6 -24.1 26.6 114 128 A A H X S+ 0 0 4 -4,-2.5 4,-1.8 -40,-0.2 -1,-0.2 0.879 115.1 50.1 -72.8 -35.9 21.5 -21.0 28.6 115 129 A S H X S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.944 111.4 45.8 -66.2 -47.5 23.9 -21.9 31.4 116 130 A I H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.934 110.9 55.9 -65.2 -40.2 26.9 -22.3 29.1 117 131 A E H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.878 112.7 40.3 -52.7 -43.4 25.9 -19.1 27.3 118 132 A D H 3< S+ 0 0 78 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.468 92.6 114.1 -86.0 -6.1 26.0 -17.1 30.5 119 133 A L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.8 -3,-0.0 -0.285 80.4 -97.5 -70.3 147.8 29.1 -18.7 32.0 120 134 A D >> - 0 0 98 1,-0.1 4,-2.6 4,-0.0 3,-0.6 -0.482 37.7-122.5 -53.7 135.3 32.3 -16.8 32.5 121 135 A S H 3> S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.859 108.8 59.0 -57.5 -35.2 34.5 -17.6 29.4 122 136 A A H 3> S+ 0 0 56 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.919 112.2 38.2 -63.5 -37.1 37.3 -19.0 31.6 123 137 A I H X4 S+ 0 0 11 -3,-0.6 3,-1.3 1,-0.2 4,-0.3 0.926 114.3 56.0 -75.1 -39.4 35.1 -21.6 33.1 124 138 A R H >< S+ 0 0 36 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.853 99.6 61.1 -61.3 -35.7 33.3 -22.2 29.7 125 139 A D H 3< S+ 0 0 101 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 96.6 60.1 -60.2 -27.3 36.7 -22.9 28.1 126 140 A K T << S+ 0 0 42 -3,-1.3 -26,-2.5 -4,-0.6 2,-1.2 0.550 78.1 97.0 -77.9 -11.5 37.1 -25.8 30.5 127 141 A I E < -d 100 0A 0 -3,-1.8 -26,-0.2 -4,-0.3 3,-0.1 -0.722 53.7-175.6 -86.6 101.3 33.9 -27.6 29.1 128 142 A A E + 0 0 7 -28,-2.2 2,-0.3 -2,-1.2 -1,-0.2 0.798 64.0 2.0 -66.5 -32.6 35.6 -30.0 26.6 129 143 A G E -d 101 0A 0 -29,-0.7 -27,-2.3 -3,-0.1 2,-0.4 -0.985 53.9-162.6-159.8 148.3 32.2 -31.3 25.3 130 144 A T E -de 102 153A 0 22,-2.6 24,-2.2 -2,-0.3 2,-0.4 -0.999 7.6-161.9-131.7 126.2 28.4 -30.9 25.7 131 145 A V E -de 103 154A 0 -29,-2.0 -27,-1.3 -2,-0.4 2,-0.4 -0.927 8.8-171.0-106.9 134.7 25.8 -33.4 24.5 132 146 A L E -de 104 155A 0 22,-2.4 24,-3.2 -2,-0.4 2,-0.4 -0.998 3.3-163.1-126.5 129.1 22.2 -32.2 24.1 133 147 A F E S-de 105 156A 0 -29,-2.8 -27,-2.6 -2,-0.4 -24,-0.3 -0.952 74.5 -3.7-116.5 135.9 19.2 -34.6 23.4 134 148 A G S S- 0 0 0 22,-2.5 2,-0.5 -2,-0.4 -1,-0.2 0.933 86.5-155.9 50.4 54.5 15.8 -33.5 22.1 135 149 A Y > - 0 0 0 21,-0.4 3,-1.8 -3,-0.3 4,-0.3 -0.529 11.7-154.9 -70.8 116.5 17.1 -29.9 22.3 136 150 A T T 3 S+ 0 0 6 -30,-0.7 4,-0.2 -2,-0.5 30,-0.2 0.632 94.6 44.5 -67.7 -20.9 14.1 -27.6 22.6 137 151 A K T 3> S+ 0 0 43 -31,-0.2 4,-3.0 1,-0.1 -1,-0.3 0.167 77.5 115.9-108.8 22.7 16.0 -24.7 21.2 138 152 A N T <4>S+ 0 0 34 -3,-1.8 5,-2.8 25,-0.3 6,-0.3 0.927 83.0 37.5 -53.9 -49.0 17.6 -26.6 18.3 139 153 A L T >45S+ 0 0 96 24,-0.3 3,-1.3 -4,-0.3 -1,-0.2 0.954 117.4 49.4 -71.3 -47.2 15.8 -24.7 15.6 140 154 A Q T 345S+ 0 0 87 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.888 121.3 35.7 -63.4 -36.8 16.0 -21.3 17.3 141 155 A N T ><5S- 0 0 53 -4,-3.0 3,-1.2 3,-0.1 -1,-0.3 0.310 108.9-122.5 -99.6 9.1 19.7 -21.7 18.0 142 156 A R T < 5S- 0 0 229 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.902 72.3 -52.5 47.6 48.0 20.4 -23.5 14.7 143 157 A G T 3 - 0 0 1 3,-0.4 3,-1.8 -2,-0.3 -31,-0.1 -0.958 45.6-107.8-106.4 123.0 24.9 -23.4 22.1 146 160 A P T 3 S+ 0 0 30 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.285 98.7 7.9 -51.4 132.4 25.5 -19.6 22.1 147 161 A N T 3 S+ 0 0 103 1,-0.2 -23,-0.0 -29,-0.1 -3,-0.0 0.610 109.3 105.5 66.4 19.3 29.0 -18.6 22.8 148 162 A Y S < S- 0 0 5 -3,-1.8 -3,-0.4 -23,-0.0 -1,-0.2 -0.985 76.7-101.2-131.6 138.7 30.2 -22.1 22.6 149 163 A P > - 0 0 43 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.225 17.3-136.5 -59.3 139.7 32.2 -23.9 19.8 150 164 A A G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.861 103.5 61.6 -61.5 -37.7 30.4 -26.1 17.3 151 165 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.676 104.5 48.2 -68.7 -16.4 33.2 -28.7 17.5 152 166 A R G < S+ 0 0 59 -3,-1.4 -22,-2.6 -23,-0.1 2,-0.4 0.448 100.1 82.2-100.1 4.4 32.4 -29.1 21.2 153 167 A T E < -e 130 0A 18 -3,-1.5 2,-0.4 -4,-0.3 -22,-0.2 -0.861 49.4-179.8-111.7 130.1 28.6 -29.5 20.8 154 168 A K E -e 131 0A 82 -24,-2.2 -22,-2.4 -2,-0.4 2,-0.5 -0.962 9.6-167.9-130.8 116.9 26.8 -32.7 19.8 155 169 A V E -e 132 0A 37 -2,-0.4 2,-0.7 -24,-0.2 -22,-0.2 -0.886 7.8-160.1-100.9 128.9 23.0 -32.4 19.4 156 170 A F E +e 133 0A 16 -24,-3.2 -22,-2.5 -2,-0.5 2,-0.4 -0.947 23.3 161.8-109.0 113.2 20.9 -35.6 19.1 157 171 A b - 0 0 38 -2,-0.7 3,-0.1 -24,-0.2 17,-0.1 -0.921 30.2-140.4-134.8 102.4 17.6 -34.6 17.7 158 172 A N > - 0 0 43 -2,-0.4 3,-1.7 15,-0.2 2,-0.2 -0.274 27.8 -99.2 -58.5 150.9 15.7 -37.5 16.2 159 173 A T T 3 S+ 0 0 146 1,-0.3 -1,-0.1 14,-0.1 3,-0.1 -0.546 114.5 23.6 -71.6 135.3 13.8 -37.1 12.9 160 174 A G T 3 S+ 0 0 42 1,-0.3 2,-1.5 -2,-0.2 14,-0.3 0.357 83.8 126.2 90.1 -13.0 10.1 -36.5 14.0 161 175 A D X - 0 0 1 -3,-1.7 3,-1.7 12,-0.2 4,-0.3 -0.676 47.7-162.9 -74.6 102.4 11.1 -35.2 17.4 162 176 A L G > >S+ 0 0 67 -2,-1.5 5,-1.7 1,-0.3 3,-1.2 0.679 77.9 72.1 -65.7 -17.7 9.1 -32.0 17.0 163 177 A V G > 5S+ 0 0 3 6,-0.3 3,-0.8 1,-0.3 -24,-0.3 0.770 93.2 58.5 -68.2 -20.0 10.8 -30.2 19.9 164 178 A b G < 5S+ 0 0 6 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.550 103.1 56.0 -82.1 -11.0 13.9 -29.9 17.6 165 179 A T G < 5S- 0 0 84 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.036 128.6 -82.4-117.7 34.8 11.8 -28.1 15.1 166 180 A G T < 5S+ 0 0 37 -3,-0.8 2,-0.2 1,-0.3 -3,-0.2 0.455 96.5 93.9 92.0 1.3 10.5 -25.2 17.1 167 181 A S < - 0 0 42 -5,-1.7 -1,-0.3 2,-0.1 -2,-0.1 -0.655 66.5-135.7-119.2-177.9 7.5 -26.6 18.9 168 182 A L + 0 0 86 -2,-0.2 2,-0.4 -3,-0.1 -5,-0.2 0.125 59.5 129.9-118.3 16.8 6.8 -28.2 22.2 169 183 A I - 0 0 105 -7,-0.2 2,-0.7 1,-0.1 -6,-0.3 -0.581 54.1-137.9 -74.2 129.1 4.7 -31.1 20.9 170 184 A V + 0 0 84 -2,-0.4 2,-0.3 -8,-0.1 -9,-0.1 -0.774 28.4 174.8 -90.2 119.2 6.0 -34.4 22.3 171 185 A A > - 0 0 25 -2,-0.7 3,-1.9 -11,-0.1 4,-0.5 -0.776 47.8 -94.4-115.7 162.8 6.1 -37.1 19.7 172 186 A A G > S+ 0 0 80 -2,-0.3 3,-1.8 1,-0.3 -11,-0.1 0.803 119.4 62.4 -50.8 -38.1 7.4 -40.7 20.0 173 187 A P G > S+ 0 0 33 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.800 94.8 64.7 -57.4 -28.3 11.0 -39.8 18.6 174 188 A H G < S+ 0 0 8 -3,-1.9 3,-0.3 1,-0.3 -2,-0.2 0.761 102.2 47.8 -66.2 -24.5 11.4 -37.5 21.6 175 189 A L G < S+ 0 0 114 -3,-1.8 3,-0.3 -4,-0.5 -1,-0.3 0.156 94.8 81.4 -96.7 13.1 11.2 -40.6 23.8 176 190 A A < + 0 0 47 -3,-1.8 4,-0.3 1,-0.2 -1,-0.2 -0.026 51.5 105.0-114.2 32.5 13.7 -42.5 21.7 177 191 A Y > + 0 0 3 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.545 47.5 100.9 -92.4 -1.3 17.2 -41.2 22.9 178 192 A G H > S+ 0 0 12 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.883 81.3 50.8 -47.8 -52.0 18.1 -44.3 25.0 179 193 A P H >> S+ 0 0 81 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.954 110.3 50.3 -54.0 -47.9 20.4 -45.7 22.3 180 194 A D H 34>S+ 0 0 34 -4,-0.3 5,-2.3 1,-0.3 3,-0.4 0.832 107.4 51.7 -59.0 -43.2 22.3 -42.4 22.0 181 195 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -3,-0.1 0.710 112.0 48.8 -68.2 -24.1 22.9 -42.0 25.7 182 196 A R H <<5S+ 0 0 144 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.660 130.1 4.4 -83.0 -23.9 24.4 -45.6 25.7 183 197 A G T X5S+ 0 0 23 -4,-1.1 4,-2.2 -3,-0.4 5,-0.2 0.505 124.7 29.4-127.0 -88.4 26.7 -45.1 22.8 184 198 A P H >5S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.864 114.4 55.9 -60.1 -41.6 27.5 -42.1 20.7 185 199 A A H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.913 115.3 55.6 -58.3 -40.6 29.4 -40.8 26.0 187 201 A E H X S+ 0 0 133 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.892 108.3 49.2 -55.9 -40.0 31.9 -41.7 23.2 188 202 A F H X S+ 0 0 20 -4,-2.2 4,-2.3 -3,-0.2 -1,-0.2 0.910 112.2 46.2 -65.9 -47.9 31.7 -38.1 22.0 189 203 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.891 113.1 50.1 -61.7 -38.3 32.3 -36.8 25.5 190 204 A I H X S+ 0 0 17 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.921 110.8 49.6 -67.3 -43.4 35.2 -39.3 26.1 191 205 A E H X S+ 0 0 105 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.907 111.3 49.2 -63.4 -42.4 36.8 -38.3 22.8 192 206 A K H X S+ 0 0 45 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.911 112.8 47.0 -65.7 -38.0 36.6 -34.6 23.7 193 207 A V H >X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 3,-1.6 0.962 112.0 50.5 -66.0 -43.8 38.1 -35.2 27.2 194 208 A R H 3X S+ 0 0 132 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.871 103.1 59.7 -66.0 -33.5 40.9 -37.3 25.7 195 209 A A H 3< S+ 0 0 84 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.695 116.9 33.0 -66.4 -19.8 41.7 -34.6 23.2 196 210 A V H << S+ 0 0 87 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.808 132.4 27.1 -99.6 -41.3 42.4 -32.2 26.1 197 211 A R H < 0 0 100 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.644 360.0 360.0 -99.4 -18.3 43.8 -34.5 28.7 198 212 A G < 0 0 111 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 -0.483 360.0 360.0 82.7 360.0 45.4 -37.4 26.9