==== 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 TRANSFERASE 10-OCT-08 3EUO . COMPND 2 MOLECULE: TYPE III PENTAKETIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA; . AUTHOR H.ZHANG,J.S.BRUNZELLE,S.K.NAIR . 758 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 14.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 44 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 4 0 0 0 0 6 4 6 0 0 1 1 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 4 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 . 1 3 2 0 0 2 2 4 2 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 1 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 10 A L 0 0 107 0, 0.0 3,-0.1 0, 0.0 226,-0.1 0.000 360.0 360.0 360.0 -19.5 -45.1 13.0 3.4 2 11 A G + 0 0 51 1,-0.2 2,-0.5 211,-0.1 212,-0.1 0.765 360.0 145.0 65.9 28.9 -43.2 15.6 5.5 3 12 A L + 0 0 2 223,-0.4 223,-2.4 209,-0.1 2,-0.3 -0.871 19.4 167.2-102.7 125.5 -39.9 13.8 5.1 4 13 A S E -AB 211 225A 10 207,-2.2 207,-2.9 -2,-0.5 2,-0.7 -0.996 38.9-129.5-141.2 143.9 -36.8 16.0 4.8 5 14 A I E +AB 210 224A 0 219,-3.3 218,-2.8 -2,-0.3 219,-1.5 -0.844 29.8 175.8 -88.0 112.4 -33.0 15.6 5.0 6 15 A T E + 0 0 10 203,-1.8 2,-0.3 -2,-0.7 -1,-0.1 0.536 60.9 14.1-102.6 -10.2 -32.0 18.2 7.5 7 16 A G E -A 209 0A 0 202,-0.8 202,-2.1 89,-0.1 2,-0.3 -0.976 56.2-166.3-158.9 153.4 -28.3 17.5 7.7 8 17 A L E -A 208 0A 6 -2,-0.3 2,-0.3 83,-0.3 200,-0.2 -0.990 8.0-177.8-138.3 146.3 -25.5 15.5 5.9 9 18 A G E -A 207 0A 2 198,-2.7 198,-3.1 -2,-0.3 2,-0.4 -0.996 3.5-173.3-144.7 145.5 -22.0 14.6 7.0 10 19 A V E -A 206 0A 13 -2,-0.3 2,-0.4 196,-0.2 196,-0.2 -0.998 2.8-175.2-139.2 137.5 -19.1 12.8 5.3 11 20 A Q E -A 205 0A 59 194,-2.9 194,-1.4 -2,-0.4 77,-0.1 -0.864 3.7-171.4-138.9 105.3 -15.8 11.7 6.7 12 21 A Y - 0 0 27 -2,-0.4 192,-0.2 192,-0.2 -2,-0.0 -0.605 33.6-104.8 -82.1 151.8 -13.1 10.2 4.4 13 22 A P - 0 0 11 0, 0.0 41,-0.1 0, 0.0 40,-0.1 -0.154 37.0 -96.1 -69.6 174.0 -10.0 8.6 6.1 14 23 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.717 95.0 75.9 -65.4 -27.8 -6.6 10.4 6.1 15 24 A Y E -R 53 0B 101 38,-1.7 38,-2.4 41,-0.0 2,-0.4 -0.633 52.8-166.5-102.7 147.1 -5.0 8.6 3.1 16 25 A S E -R 52 0B 57 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.979 16.3-155.9-130.7 116.8 -5.5 9.0 -0.7 17 26 A L E -R 51 0B 23 34,-3.2 34,-2.4 -2,-0.4 39,-0.0 -0.835 2.3-152.1-105.4 125.3 -4.0 6.3 -2.9 18 27 A G > - 0 0 16 -2,-0.5 3,-1.9 32,-0.2 4,-0.4 -0.244 44.7 -89.0 -77.1 173.4 -3.0 6.6 -6.5 19 28 A P T 3> S+ 0 0 35 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.698 122.0 71.3 -60.3 -19.6 -3.1 3.6 -8.9 20 29 A D H 3> S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.662 78.8 78.3 -71.1 -17.4 0.5 2.8 -7.8 21 30 A A H <> S+ 0 0 4 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.937 98.4 39.8 -57.5 -51.0 -0.6 1.6 -4.4 22 31 A I H > S+ 0 0 3 -3,-0.4 4,-2.6 -4,-0.4 -1,-0.2 0.811 111.5 59.4 -72.8 -27.0 -1.8 -1.8 -5.6 23 32 A D H X S+ 0 0 44 -4,-0.8 4,-2.4 2,-0.2 5,-0.2 0.945 107.3 47.7 -56.9 -49.4 1.2 -2.0 -7.9 24 33 A I H X S+ 0 0 71 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.929 116.4 41.2 -57.9 -49.9 3.4 -1.7 -4.8 25 34 A L H X S+ 0 0 9 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.857 113.1 53.5 -71.8 -36.3 1.5 -4.3 -2.8 26 35 A S H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.968 112.2 44.4 -61.0 -51.6 1.1 -6.7 -5.7 27 36 A K H < S+ 0 0 182 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.854 111.3 55.1 -62.3 -38.3 4.8 -6.7 -6.4 28 37 A R H < S+ 0 0 107 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.877 123.3 23.2 -61.7 -37.6 5.6 -7.0 -2.7 29 38 A Y H < S+ 0 0 67 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.580 119.0 43.8-113.6 -10.2 3.5 -10.2 -2.3 30 39 A H < - 0 0 27 -4,-2.6 -1,-0.2 -5,-0.2 3,-0.1 -0.997 68.9-122.6-141.9 137.7 3.1 -11.9 -5.7 31 40 A P - 0 0 91 0, 0.0 5,-0.1 0, 0.0 2,-0.0 -0.370 54.0 -85.8 -62.7 155.5 5.2 -12.8 -8.7 32 41 A E + 0 0 164 4,-0.1 3,-0.1 -5,-0.1 -5,-0.0 -0.375 57.3 171.4 -61.8 140.6 3.9 -11.4 -12.0 33 42 A S > - 0 0 16 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.947 46.4-103.2-145.6 162.4 1.2 -13.5 -13.6 34 43 A P H > S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.915 121.7 45.1 -54.6 -46.1 -1.2 -13.1 -16.6 35 44 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 113.8 49.4 -66.0 -41.3 -4.2 -12.4 -14.4 36 45 A M H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 109.7 51.4 -64.6 -45.6 -2.3 -10.0 -12.1 37 46 A K H X S+ 0 0 133 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.909 110.0 50.8 -55.0 -43.5 -1.0 -8.1 -15.2 38 47 A K H X S+ 0 0 91 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.934 111.8 46.2 -60.3 -49.2 -4.6 -7.8 -16.5 39 48 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 112.3 50.0 -59.7 -46.9 -5.8 -6.4 -13.1 40 49 A L H < S+ 0 0 37 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.820 113.3 47.9 -63.7 -29.7 -2.9 -4.0 -12.8 41 50 A A H >< S+ 0 0 33 -4,-1.9 3,-1.6 -5,-0.2 4,-0.2 0.925 110.8 49.5 -70.4 -48.5 -3.7 -2.8 -16.4 42 51 A I H >< S+ 0 0 47 -4,-2.8 3,-2.3 1,-0.3 4,-0.5 0.848 97.7 71.0 -60.7 -36.0 -7.4 -2.4 -15.7 43 52 A N T 3< S+ 0 0 7 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.735 100.8 46.2 -48.5 -28.8 -6.5 -0.4 -12.6 44 53 A R T < S+ 0 0 139 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.430 103.8 61.9 -99.6 0.8 -5.4 2.3 -14.9 45 54 A Y S < S+ 0 0 170 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.2 0.384 82.5 84.0-100.0 -1.6 -8.5 2.2 -17.2 46 55 A T S S- 0 0 13 -4,-0.5 254,-0.2 -3,-0.3 -1,-0.1 0.767 89.8-128.6 -78.0 -29.0 -11.0 3.1 -14.4 47 56 A G + 0 0 51 1,-0.3 2,-0.7 -4,-0.1 -3,-0.1 0.508 63.1 136.9 84.9 7.1 -10.8 6.9 -14.5 48 57 A I - 0 0 17 -5,-0.2 -1,-0.3 1,-0.2 277,-0.2 -0.800 33.1-175.1 -89.2 117.2 -10.2 6.9 -10.7 49 58 A D + 0 0 95 276,-1.8 2,-0.3 -2,-0.7 277,-0.2 0.902 69.3 1.5 -74.7 -45.6 -7.4 9.3 -9.8 50 59 A Q - 0 0 73 275,-1.7 2,-0.4 274,-0.2 -1,-0.3 -0.997 59.8-147.0-147.6 143.9 -7.3 8.5 -6.1 51 60 A R E -R 17 0B 16 -34,-2.4 -34,-3.2 -2,-0.3 2,-0.2 -0.947 25.0-123.3-113.1 135.0 -9.0 6.1 -3.7 52 61 A S E +R 16 0B 1 275,-1.8 151,-2.4 -2,-0.4 2,-0.3 -0.564 38.2 176.9 -76.0 137.3 -9.6 7.1 -0.0 53 62 A S E -R 15 0B 5 -38,-2.4 -38,-1.7 -2,-0.2 123,-0.0 -0.998 44.8-132.1-146.3 146.4 -8.1 4.7 2.5 54 63 A I S S+ 0 0 6 -2,-0.3 2,-0.3 -40,-0.1 -1,-0.1 0.659 96.3 15.9 -64.1 -18.0 -7.7 4.1 6.2 55 64 A G S S- 0 0 4 -40,-0.1 -38,-0.0 -42,-0.1 123,-0.0 -0.903 72.4-115.1-146.7 173.5 -4.0 3.4 5.5 56 65 A N > - 0 0 60 -2,-0.3 3,-2.6 -41,-0.0 -39,-0.0 -0.618 54.9 -84.1-103.1 172.9 -1.1 3.6 3.0 57 66 A P T 3 S+ 0 0 27 0, 0.0 -40,-0.0 0, 0.0 -2,-0.0 0.570 126.8 61.7 -57.2 -6.1 0.6 0.6 1.5 58 67 A D T 3 S+ 0 0 111 3,-0.0 5,-0.1 5,-0.0 0, 0.0 0.373 70.9 132.4 -98.2 4.2 2.8 0.3 4.6 59 68 A H X - 0 0 41 -3,-2.6 3,-0.8 1,-0.1 4,-0.3 -0.302 61.5-131.2 -56.2 134.2 -0.1 -0.3 7.0 60 69 A P G > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.833 100.5 64.7 -57.9 -34.3 0.8 -3.3 9.2 61 70 A L G 3 S+ 0 0 13 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.833 107.4 39.9 -60.3 -36.4 -2.6 -5.1 8.5 62 71 A V G < S+ 0 0 9 -3,-0.8 -1,-0.3 1,-0.2 -3,-0.1 0.290 108.9 65.3 -97.1 8.6 -1.9 -5.6 4.8 63 72 A N S < S+ 0 0 42 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 -0.031 72.0 115.0-122.4 29.5 1.8 -6.5 5.4 64 73 A K S S- 0 0 58 -3,-0.5 -3,-0.0 2,-0.4 0, 0.0 -0.476 84.1 -98.7 -88.8 167.9 1.5 -9.7 7.4 65 74 A P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.905 111.1 23.4 -52.1 -41.4 2.8 -13.1 6.0 66 75 A N S S- 0 0 113 1,-0.1 -2,-0.4 3,-0.0 3,-0.1 -0.707 105.3 -80.7-115.1 167.4 -0.8 -13.9 5.0 67 76 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 -0.381 64.5 -89.8 -59.1 150.1 -3.8 -11.7 4.3 68 77 A P - 0 0 2 0, 0.0 115,-0.1 0, 0.0 2,-0.1 -0.357 44.1-117.5 -61.3 143.0 -5.5 -10.5 7.5 69 78 A T > - 0 0 42 1,-0.1 4,-2.6 -3,-0.1 179,-0.3 -0.317 30.3-100.9 -72.5 168.2 -8.2 -12.9 8.8 70 79 A V H > S+ 0 0 1 177,-2.0 4,-2.0 1,-0.2 44,-0.2 0.829 126.3 54.0 -62.4 -30.3 -11.8 -11.6 9.1 71 80 A K H > S+ 0 0 73 176,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.891 108.7 47.8 -66.1 -42.2 -11.2 -11.2 12.8 72 81 A E H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.880 110.4 52.4 -68.9 -37.2 -8.1 -9.1 12.1 73 82 A L H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.915 106.2 54.4 -59.7 -44.4 -10.2 -7.0 9.6 74 83 A H H X S+ 0 0 34 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.901 102.0 57.4 -59.6 -41.4 -12.8 -6.5 12.2 75 84 A E H X S+ 0 0 106 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.899 111.5 41.8 -56.3 -42.1 -10.3 -5.1 14.7 76 85 A V H X>S+ 0 0 15 -4,-1.4 4,-3.2 -3,-0.2 5,-0.9 0.830 108.4 59.2 -77.8 -33.0 -9.3 -2.4 12.1 77 86 A F H X>S+ 0 0 3 -4,-2.5 5,-1.8 3,-0.2 4,-1.3 0.931 113.0 41.2 -55.3 -45.1 -12.9 -1.7 11.1 78 87 A M H <5S+ 0 0 38 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.919 120.9 40.6 -70.6 -42.9 -13.5 -0.8 14.8 79 88 A S H <5S+ 0 0 67 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.868 133.8 17.7 -74.8 -37.6 -10.2 1.1 15.3 80 89 A D H <5S+ 0 0 58 -4,-3.2 4,-0.3 -5,-0.1 -3,-0.2 0.619 127.8 44.7-113.2 -20.3 -10.1 3.0 12.0 81 90 A G T >X S+ 0 0 59 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.825 105.4 52.3 -57.0 -32.6 -14.2 7.0 14.2 84 93 A L H <> S+ 0 0 13 -3,-1.3 4,-2.6 -4,-0.3 -2,-0.2 0.909 110.3 47.8 -66.8 -43.2 -15.2 8.0 10.6 85 94 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.872 110.7 51.5 -65.6 -38.7 -18.8 7.0 11.3 86 95 A V H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.942 113.3 44.5 -63.7 -46.3 -18.8 9.0 14.5 87 96 A E H X S+ 0 0 77 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.901 113.2 49.3 -68.3 -41.4 -17.4 12.1 12.8 88 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 119,-0.2 0.923 113.4 47.7 -60.7 -45.4 -19.8 11.9 9.8 89 98 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.881 109.4 53.9 -62.7 -41.3 -22.8 11.4 12.2 90 99 A R H X S+ 0 0 116 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.895 110.1 46.3 -59.0 -43.8 -21.6 14.4 14.3 91 100 A K H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -83,-0.3 0.871 111.6 50.6 -71.2 -38.2 -21.5 16.7 11.3 92 101 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.938 113.6 45.7 -61.9 -47.2 -24.9 15.6 10.0 93 102 A M H X>S+ 0 0 12 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.891 111.1 53.8 -62.4 -41.2 -26.4 16.2 13.5 94 103 A A H ><5S+ 0 0 63 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.906 109.3 46.9 -61.5 -43.9 -24.6 19.5 13.7 95 104 A E H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 113.0 49.6 -65.1 -36.1 -26.1 20.7 10.4 96 105 A A H 3<5S- 0 0 6 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.540 109.4-127.6 -78.9 -7.9 -29.6 19.5 11.5 97 106 A R T <<5 + 0 0 191 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.902 58.4 147.2 57.0 46.7 -29.1 21.4 14.9 98 107 A L < - 0 0 15 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.921 40.0-148.4-115.8 135.9 -29.9 18.2 16.8 99 108 A V > - 0 0 86 -2,-0.4 3,-2.1 1,-0.1 4,-0.4 -0.634 37.5 -99.1 -95.2 159.9 -28.6 17.1 20.2 100 109 A P G > S+ 0 0 49 0, 0.0 3,-1.8 0, 0.0 30,-0.5 0.834 118.5 59.2 -48.9 -43.4 -28.1 13.3 21.0 101 110 A A G 3 S+ 0 0 92 1,-0.3 28,-0.0 28,-0.2 27,-0.0 0.661 97.8 63.3 -64.4 -15.2 -31.4 13.0 23.0 102 111 A Q G < S+ 0 0 83 -3,-2.1 2,-0.5 65,-0.0 -1,-0.3 0.631 76.4 100.6 -84.1 -15.1 -33.4 14.1 20.0 103 112 A I < + 0 0 3 -3,-1.8 27,-0.4 -4,-0.4 66,-0.2 -0.626 44.9 177.3 -79.0 123.3 -32.4 11.1 17.8 104 113 A T + 0 0 35 64,-2.2 30,-1.5 -2,-0.5 2,-0.3 0.735 61.8 13.8 -99.4 -31.1 -35.2 8.6 17.8 105 114 A H E -cd 134 169A 3 63,-1.3 65,-2.2 28,-0.2 2,-0.4 -0.957 57.3-152.8-141.0 160.6 -34.0 5.9 15.4 106 115 A M E -cd 135 170A 0 28,-2.4 30,-1.8 -2,-0.3 2,-0.5 -0.997 6.4-171.2-134.0 129.1 -30.7 4.9 13.7 107 116 A V E +cd 136 171A 0 63,-2.8 65,-2.5 -2,-0.4 2,-0.3 -0.961 19.0 175.5-121.2 113.1 -30.5 3.0 10.4 108 117 A S E -cd 137 172A 0 28,-3.2 30,-3.1 -2,-0.5 2,-0.3 -0.799 11.3-168.0-118.7 155.7 -27.0 1.9 9.6 109 118 A T E +cd 138 173A 1 63,-1.9 65,-1.8 -2,-0.3 2,-0.3 -0.989 15.1 150.6-142.2 150.3 -25.4 -0.2 6.9 110 119 A T - 0 0 6 28,-0.8 30,-0.2 -2,-0.3 31,-0.2 -0.881 22.4-171.6-164.4 149.5 -22.1 -1.9 6.1 111 120 A C S S+ 0 0 6 -2,-0.3 64,-0.1 63,-0.2 32,-0.1 0.269 83.2 70.8-118.4 8.9 -20.9 -4.9 4.1 112 121 A T S S+ 0 0 6 62,-0.4 2,-0.3 30,-0.1 -35,-0.1 0.139 97.3 44.3-115.4 18.4 -17.3 -4.8 5.3 113 122 A D - 0 0 5 -36,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.986 52.1-166.0-152.0 154.2 -17.9 -5.9 8.9 114 123 A S + 0 0 2 -2,-0.3 511,-0.6 -44,-0.2 2,-0.3 -0.972 29.7 145.2-139.0 133.3 -19.7 -8.5 11.0 115 124 A A - 0 0 3 -2,-0.3 509,-0.2 509,-0.1 4,-0.1 -0.986 42.9-120.7-162.5 151.1 -20.1 -8.1 14.7 116 125 A N S S+ 0 0 1 507,-0.4 507,-2.0 1,-0.3 2,-0.2 -0.890 113.1 36.3-140.9 111.5 -22.4 -8.7 17.7 117 126 A P S S- 0 0 6 0, 0.0 -1,-0.3 0, 0.0 404,-0.2 0.514 113.2-128.4 -60.2 148.2 -22.9 -6.0 19.0 118 127 A G >> - 0 0 2 402,-0.8 3,-1.3 401,-0.2 4,-0.7 -0.211 21.7-101.6 -68.3 165.0 -22.9 -4.4 15.6 119 128 A Y H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.779 116.9 69.9 -63.5 -26.9 -20.8 -1.3 14.8 120 129 A D H 3> S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.844 91.8 59.9 -59.6 -36.3 -23.8 0.9 15.1 121 130 A H H <> S+ 0 0 11 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.938 107.1 44.7 -53.2 -50.5 -23.9 0.3 18.9 122 131 A Y H X S+ 0 0 67 -4,-0.7 4,-2.4 -3,-0.3 -2,-0.2 0.889 113.6 49.8 -67.4 -39.9 -20.4 1.7 19.3 123 132 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.958 112.4 47.6 -60.9 -51.1 -21.1 4.7 17.1 124 133 A A H X>S+ 0 0 8 -4,-2.9 5,-2.6 1,-0.2 4,-0.6 0.865 111.8 50.9 -57.3 -41.2 -24.3 5.5 19.0 125 134 A K H ><5S+ 0 0 116 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.910 109.7 49.2 -63.2 -46.2 -22.5 5.1 22.3 126 135 A E H 3<5S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.833 111.6 50.3 -62.9 -33.1 -19.7 7.5 21.3 127 136 A L H 3<5S- 0 0 9 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.595 111.6-123.6 -78.4 -14.3 -22.4 10.0 20.1 128 137 A G T <<5 + 0 0 49 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.811 48.5 171.7 73.7 32.2 -24.2 9.7 23.5 129 138 A L < - 0 0 21 -5,-2.6 -28,-0.2 1,-0.2 -1,-0.1 -0.188 40.9 -68.7 -71.4 166.9 -27.5 8.6 21.9 130 139 A S > - 0 0 47 -30,-0.5 3,-1.5 -27,-0.4 -1,-0.2 -0.165 28.4-133.9 -57.9 142.2 -30.5 7.4 23.9 131 140 A D T 3 S+ 0 0 74 1,-0.2 482,-2.0 -3,-0.1 -1,-0.1 0.630 112.8 52.7 -67.2 -11.2 -30.4 4.0 25.7 132 141 A R T 3 S+ 0 0 74 480,-0.2 -1,-0.2 2,-0.1 479,-0.1 0.226 79.3 139.1-107.5 11.9 -33.9 3.6 24.1 133 142 A L < - 0 0 8 -3,-1.5 2,-0.7 1,-0.1 -28,-0.2 -0.280 53.4-130.4 -54.5 133.7 -32.7 4.4 20.6 134 143 A E E -c 105 0A 19 -30,-1.5 -28,-2.4 2,-0.0 2,-0.3 -0.844 31.9-166.4 -91.8 116.3 -34.3 2.1 18.0 135 144 A K E -c 106 0A 30 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.794 19.8-173.7-110.0 146.9 -31.5 0.7 15.8 136 145 A V E -c 107 0A 5 -30,-1.8 -28,-3.2 -2,-0.3 2,-0.7 -0.970 4.9-169.1-132.8 117.4 -31.5 -1.1 12.5 137 146 A L E -c 108 0A 7 -2,-0.4 382,-1.6 382,-0.3 -28,-0.2 -0.925 18.7-147.8-107.2 107.6 -28.2 -2.5 11.2 138 147 A L E +cE 109 518A 3 -30,-3.1 -28,-0.8 -2,-0.7 2,-0.3 -0.444 19.4 178.1 -76.0 144.1 -28.7 -3.6 7.6 139 148 A H + 0 0 5 378,-1.8 378,-0.3 -2,-0.1 359,-0.2 -0.881 50.9 41.4-132.9 166.7 -26.9 -6.5 6.1 140 149 A G S S+ 0 0 3 -2,-0.3 358,-0.6 -30,-0.2 -29,-0.1 0.350 89.6 85.6 88.1 -2.7 -26.8 -8.3 2.7 141 150 A I > - 0 0 23 -31,-0.2 3,-1.6 1,-0.2 4,-0.2 0.543 54.2-179.6-117.5 -10.3 -27.0 -5.3 0.3 142 151 A G G > S+ 0 0 3 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 -0.145 71.9 13.9 49.3-125.0 -23.5 -3.9 -0.3 143 152 A X G 3 S+ 0 0 22 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.686 123.8 57.6 -60.7 -26.1 -23.4 -0.9 -2.7 144 153 A S G <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.442 79.4 101.9 -81.6 3.6 -27.2 -0.2 -2.6 145 154 A G H <> S+ 0 0 0 -3,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.775 71.5 56.2 -63.0 -35.2 -27.0 0.2 1.2 146 155 A G H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.968 115.2 36.7 -63.0 -55.4 -27.1 4.0 1.4 147 156 A L H > S+ 0 0 5 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.842 116.3 54.9 -67.7 -32.7 -30.3 4.4 -0.5 148 157 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 109.3 47.6 -64.1 -42.5 -31.7 1.2 1.1 149 158 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.906 110.9 52.2 -63.3 -41.7 -31.0 2.7 4.5 150 159 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 111.4 45.5 -59.9 -45.1 -32.6 6.0 3.4 151 160 A R H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.886 113.1 50.1 -67.5 -40.8 -35.8 4.3 2.2 152 161 A T H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.946 110.4 50.6 -61.4 -48.1 -36.0 2.1 5.4 153 162 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.855 107.1 55.1 -54.8 -39.6 -35.6 5.3 7.4 154 163 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.933 108.8 46.6 -61.7 -46.6 -38.4 6.9 5.4 155 164 A N H X S+ 0 0 2 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.903 113.6 49.2 -60.9 -41.2 -40.8 4.1 6.3 156 165 A L H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.905 108.4 53.0 -66.9 -42.7 -39.7 4.3 10.0 157 166 A C H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 3,-0.4 0.932 108.9 50.1 -53.8 -47.8 -40.3 8.1 10.0 158 167 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.789 102.3 61.6 -67.1 -26.6 -43.8 7.5 8.7 159 168 A G H X S+ 0 0 0 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.907 108.3 43.1 -62.2 -41.2 -44.4 4.9 11.4 160 169 A H H ><>S+ 0 0 9 -4,-1.6 5,-2.8 -3,-0.4 3,-0.8 0.883 109.5 57.5 -71.5 -37.9 -43.9 7.7 14.0 161 170 A T H ><5S+ 0 0 44 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.914 100.2 58.1 -54.8 -45.0 -46.0 10.0 11.9 162 171 A A H 3<5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.5 42.4 -53.6 -30.4 -48.8 7.5 12.1 163 172 A R T <<5S- 0 0 82 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.224 116.0-114.1-102.1 9.9 -48.5 7.9 15.9 164 173 A G T < 5S+ 0 0 54 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.765 71.1 138.7 59.5 30.2 -48.1 11.7 15.8 165 174 A K < - 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