==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDRATASE 09-JUL-01 1H7N . COMPND 2 MOLECULE: 5-AMINOLAEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.T.ERSKINE,R.NEWBOLD,A.A.BRINDLEY,S.P.WOOD, . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 1 0.3 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 . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 2 0 0 1 1 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 216 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 31.2 17.2 -45.1 2 2 A H - 0 0 180 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.779 360.0-172.3 -75.1 120.0 30.1 16.2 -41.6 3 3 A T - 0 0 100 -2,-0.6 2,-0.6 0, 0.0 0, 0.0 -0.834 32.1 -90.2-116.1 157.6 26.4 17.1 -41.9 4 4 A A - 0 0 75 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.548 43.6-150.3 -70.4 113.9 23.7 17.2 -39.2 5 5 A E - 0 0 163 -2,-0.6 2,-0.4 0, 0.0 -1,-0.0 -0.655 11.8-169.2 -88.7 139.6 22.0 13.8 -39.0 6 6 A F - 0 0 180 -2,-0.3 2,-0.1 3,-0.0 3,-0.1 -0.990 17.6-135.6-131.5 117.1 18.4 13.4 -38.0 7 7 A L - 0 0 139 -2,-0.4 2,-0.2 1,-0.1 0, 0.0 -0.428 31.7 -96.0 -78.0 154.7 17.0 10.0 -37.2 8 8 A E - 0 0 198 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.488 48.8-148.2 -66.5 133.2 13.6 9.0 -38.5 9 9 A T - 0 0 129 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.681 10.7-135.9-104.6 156.4 10.9 9.5 -35.9 10 10 A E - 0 0 164 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.699 50.7 -76.9 -93.2 158.4 7.7 8.0 -34.9 11 11 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.307 62.1 -90.6 -54.1 142.3 4.7 10.1 -34.0 12 12 A T - 0 0 114 1,-0.1 2,-0.4 -3,-0.1 3,-0.1 -0.197 37.8-131.3 -50.6 132.0 4.9 11.8 -30.6 13 13 A E > - 0 0 126 1,-0.1 3,-1.7 -3,-0.1 4,-0.4 -0.793 9.9-134.7 -87.2 137.5 3.4 9.7 -27.8 14 14 A I G > S+ 0 0 161 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.878 104.7 64.1 -57.2 -37.4 1.0 11.7 -25.6 15 15 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.695 97.2 58.1 -60.6 -20.2 2.6 10.1 -22.5 16 16 A S G < S+ 0 0 85 -3,-1.7 2,-1.0 1,-0.1 -1,-0.3 0.666 85.2 93.1 -76.9 -20.1 5.9 11.8 -23.5 17 17 A V < + 0 0 87 -3,-1.9 -1,-0.1 -4,-0.4 3,-0.1 -0.695 29.5 142.8 -97.6 99.5 4.5 15.4 -23.5 18 18 A L > + 0 0 121 -2,-1.0 3,-2.0 1,-0.1 -1,-0.2 0.559 51.9 90.5 -97.1 -19.0 4.9 17.2 -20.1 19 19 A A G > + 0 0 59 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.711 68.9 73.2 -63.3 -23.5 5.6 20.6 -21.6 20 20 A G G 3 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.733 94.4 58.2 -58.7 -20.3 1.9 21.7 -21.7 21 21 A G G < S+ 0 0 22 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.562 114.0 26.9 -91.6 -5.2 2.1 22.1 -17.9 22 22 A Y S < S+ 0 0 130 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 0.099 75.9 111.5-150.2 37.4 4.9 24.6 -17.5 23 23 A N S S+ 0 0 108 -4,-0.3 -1,-0.1 -3,-0.3 -3,-0.1 0.292 75.8 52.1 -95.9 8.4 5.3 26.9 -20.5 24 24 A H S > S- 0 0 100 -3,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.985 84.1-117.8-140.9 148.4 4.2 30.1 -18.7 25 25 A P H > S+ 0 0 74 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.860 114.7 54.7 -57.9 -37.2 5.3 31.8 -15.5 26 26 A L H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.913 107.1 52.1 -63.4 -39.0 1.8 31.4 -13.9 27 27 A L H > S+ 0 0 27 -3,-0.3 4,-2.0 2,-0.3 -1,-0.2 0.904 99.4 60.0 -63.0 -40.7 2.0 27.7 -14.6 28 28 A R H < S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.1 46.1 -62.7 -24.0 5.3 27.2 -12.9 29 29 A Q H >< S+ 0 0 101 -4,-1.1 3,-2.1 -3,-0.4 -2,-0.3 0.916 106.7 55.4 -74.8 -47.3 3.4 28.6 -9.8 30 30 A W H 3< S+ 0 0 184 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.763 101.3 63.7 -48.5 -31.2 0.4 26.3 -10.4 31 31 A Q T 3< S+ 0 0 119 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.3 0.595 80.8 96.1 -80.3 -7.4 2.9 23.4 -10.3 32 32 A S < - 0 0 49 -3,-2.1 3,-0.2 -5,-0.2 288,-0.0 -0.618 64.5-151.7 -80.8 143.3 3.9 24.1 -6.7 33 33 A E S S+ 0 0 164 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.776 87.0 19.7 -86.6 -16.9 2.1 21.9 -4.1 34 34 A R S S- 0 0 83 282,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.977 74.3-144.4-149.0 134.3 2.6 24.7 -1.6 35 35 A Q - 0 0 118 -2,-0.3 2,-0.3 -3,-0.2 -6,-0.0 -0.772 27.8-109.2 -96.0 144.0 3.3 28.4 -2.0 36 36 A L + 0 0 24 -2,-0.3 2,-0.3 3,-0.0 280,-0.0 -0.528 41.2 175.7 -70.4 125.0 5.4 30.5 0.3 37 37 A T > - 0 0 60 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.895 41.2-112.3-124.2 160.9 3.4 33.0 2.5 38 38 A K G > S+ 0 0 49 -2,-0.3 3,-1.9 1,-0.3 46,-0.4 0.847 111.4 64.8 -60.7 -37.1 4.7 35.3 5.2 39 39 A N G 3 S+ 0 0 95 1,-0.3 -1,-0.3 44,-0.1 -3,-0.0 0.575 92.3 66.0 -67.9 -5.7 2.8 33.4 8.0 40 40 A M G < S+ 0 0 21 -3,-1.6 286,-2.7 285,-0.1 2,-0.3 0.552 82.8 98.9 -83.2 -11.1 5.0 30.4 7.3 41 41 A L E < -a 326 0A 1 -3,-1.9 44,-0.5 -4,-0.2 2,-0.4 -0.616 50.3-171.7 -87.2 137.1 8.1 32.2 8.5 42 42 A I E -a 327 0A 7 284,-2.4 286,-2.2 -2,-0.3 44,-0.2 -0.994 12.0-154.2-126.8 124.4 9.6 31.8 12.0 43 43 A F E -e 86 0B 1 42,-2.1 44,-1.7 -2,-0.4 2,-0.2 -0.895 10.6-132.5-108.0 123.1 12.4 34.1 12.9 44 44 A P E -e 87 0B 2 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.458 18.0-163.7 -70.5 139.9 15.1 33.3 15.6 45 45 A L E -e 88 0B 2 42,-2.9 44,-2.4 -2,-0.2 2,-0.7 -0.994 9.7-152.8-120.4 133.0 16.0 35.8 18.2 46 46 A F E -ef 89 65B 1 18,-0.6 20,-2.9 -2,-0.4 2,-0.6 -0.923 18.8-159.2-102.4 106.6 19.1 35.6 20.3 47 47 A I E -ef 90 66B 0 42,-2.9 44,-3.1 -2,-0.7 20,-0.2 -0.791 1.0-152.4 -98.9 124.0 18.3 37.4 23.6 48 48 A S E -e 91 0B 2 18,-2.0 20,-0.4 -2,-0.6 5,-0.1 -0.499 20.9-130.4 -80.1 153.6 21.2 38.6 25.8 49 49 A D S S+ 0 0 32 42,-1.1 -1,-0.1 -2,-0.2 18,-0.1 0.431 93.6 86.0 -86.7 6.6 21.0 39.0 29.6 50 50 A N S > S- 0 0 73 1,-0.1 3,-2.4 44,-0.0 -2,-0.2 -0.935 76.3-150.8 -98.8 110.3 22.4 42.6 29.1 51 51 A P T 3 S+ 0 0 58 0, 0.0 18,-1.5 0, 0.0 19,-0.4 0.636 91.5 48.9 -57.7 -18.8 19.2 44.5 28.4 52 52 A D T 3 S+ 0 0 103 17,-0.1 -3,-0.0 16,-0.1 2,-0.0 0.355 83.9 128.6-106.3 7.1 21.0 47.1 26.2 53 53 A D < + 0 0 26 -3,-2.4 14,-2.5 1,-0.1 17,-0.1 -0.300 19.9 158.3 -64.8 146.3 22.9 44.6 24.0 54 54 A F E +G 66 0B 68 12,-0.2 2,-0.4 2,-0.0 12,-0.2 -0.439 26.4 173.0-157.5 69.0 22.8 44.7 20.2 55 55 A T E -G 65 0B 53 10,-2.7 10,-2.8 1,-0.1 2,-0.2 -0.701 30.4-127.2 -94.2 130.5 25.9 42.8 19.4 56 56 A E E -G 64 0B 144 -2,-0.4 2,-0.7 8,-0.2 8,-0.2 -0.459 13.9-142.2 -69.5 140.6 26.9 41.8 16.0 57 57 A I > - 0 0 10 6,-1.5 3,-1.9 3,-0.4 6,-0.3 -0.918 11.4-153.7-104.6 106.5 27.7 38.1 15.5 58 58 A D T 3 S+ 0 0 159 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.858 90.5 44.2 -56.7 -39.6 30.6 38.1 13.2 59 59 A S T 3 S+ 0 0 40 1,-0.2 -1,-0.3 159,-0.1 160,-0.1 0.549 105.7 66.2 -84.7 -4.0 30.0 34.7 11.7 60 60 A L S X S- 0 0 1 -3,-1.9 3,-1.9 3,-0.2 -3,-0.4 -0.855 88.6-130.0-120.7 95.1 26.2 35.1 11.3 61 61 A P T 3 S- 0 0 31 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.110 79.4 -8.5 -54.0 128.5 25.5 37.8 8.7 62 62 A N T 3 S+ 0 0 116 1,-0.2 2,-0.4 -4,-0.1 -4,-0.1 0.650 104.9 115.7 64.6 19.1 23.0 40.5 9.7 63 63 A I < - 0 0 7 -3,-1.9 -6,-1.5 -6,-0.3 2,-0.3 -0.972 43.2-170.1-120.4 135.6 22.0 38.9 12.9 64 64 A N E - G 0 56B 17 -2,-0.4 -18,-0.6 -8,-0.2 2,-0.5 -0.794 29.6-115.0-121.0 164.9 22.6 40.3 16.4 65 65 A R E -fG 46 55B 30 -10,-2.8 -10,-2.7 -2,-0.3 2,-0.4 -0.877 45.3-162.7 -95.3 124.9 22.4 39.3 20.0 66 66 A I E -fG 47 54B 2 -20,-2.9 -18,-2.0 -2,-0.5 -12,-0.2 -0.911 16.0-147.5-124.0 128.8 19.8 41.6 21.5 67 67 A G >> - 0 0 0 -14,-2.5 3,-2.1 -2,-0.4 4,-0.6 -0.565 36.3-103.4 -89.0 166.1 18.8 42.6 25.0 68 68 A V H >> S+ 0 0 25 -20,-0.4 3,-0.8 1,-0.3 4,-0.6 0.797 116.6 61.0 -60.3 -34.0 15.2 43.4 26.0 69 69 A N H 34 S+ 0 0 109 -18,-1.5 -1,-0.3 1,-0.2 4,-0.2 0.576 110.4 43.0 -73.1 -6.1 15.5 47.2 26.0 70 70 A R H <> S+ 0 0 106 -3,-2.1 4,-1.5 -19,-0.4 -1,-0.2 0.455 92.4 85.8-112.1 -6.7 16.4 47.0 22.3 71 71 A L H S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.880 114.4 52.8 -66.8 -33.9 9.2 47.1 11.7 78 78 A L H <>S+ 0 0 11 -4,-0.6 5,-2.3 2,-0.2 3,-0.4 0.946 110.9 45.2 -64.9 -44.6 9.2 43.3 11.3 79 79 A V H ><5S+ 0 0 50 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.896 109.0 58.1 -65.7 -31.1 5.8 42.8 12.8 80 80 A A H 3<5S+ 0 0 85 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.867 104.3 50.7 -69.1 -27.1 4.7 45.7 10.6 81 81 A K T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.345 134.7 -87.0 -89.8 3.6 5.8 43.8 7.5 82 82 A G T < 5 + 0 0 25 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.591 64.2 165.9 108.2 15.8 3.8 40.7 8.7 83 83 A L < + 0 0 5 -5,-2.3 -1,-0.2 1,-0.2 -44,-0.1 -0.347 6.0 176.2 -62.0 132.6 6.1 38.7 11.0 84 84 A R + 0 0 129 -43,-0.4 43,-2.5 -46,-0.4 2,-0.3 0.727 54.2 26.9-112.8 -21.7 3.9 36.2 12.8 85 85 A S E - h 0 127B 10 -44,-0.5 -42,-2.1 41,-0.2 2,-0.3 -0.998 51.3-168.8-148.0 147.3 6.3 34.1 14.9 86 86 A V E -eh 43 128B 0 41,-2.0 43,-3.1 -2,-0.3 2,-0.5 -0.948 14.2-145.7-129.9 151.2 9.7 34.1 16.6 87 87 A I E -eh 44 129B 0 -44,-1.7 -42,-2.9 -2,-0.3 2,-0.4 -0.990 23.5-143.6-116.5 120.7 11.8 31.4 18.2 88 88 A L E -eh 45 130B 1 41,-2.7 43,-2.0 -2,-0.5 2,-0.4 -0.698 17.6-176.7 -93.3 135.5 13.8 32.5 21.3 89 89 A F E -e 46 0B 2 -44,-2.4 -42,-2.9 -2,-0.4 2,-0.3 -1.000 21.1-138.2-124.7 124.9 17.3 31.5 22.2 90 90 A G E -e 47 0B 1 -2,-0.4 -42,-0.2 -44,-0.2 -44,-0.0 -0.638 15.6-172.9 -86.2 140.2 18.7 32.7 25.5 91 91 A V E -e 48 0B 2 -44,-3.1 -42,-1.1 -2,-0.3 2,-0.5 -0.675 6.8-171.5-130.7 79.3 22.3 33.8 25.7 92 92 A P + 0 0 10 0, 0.0 6,-0.1 0, 0.0 5,-0.1 -0.566 11.4 171.2 -76.0 118.6 23.2 34.6 29.3 93 93 A L + 0 0 75 -2,-0.5 3,-0.1 2,-0.1 4,-0.0 0.595 37.2 114.7-107.9 -10.0 26.6 36.2 29.5 94 94 A I S > S- 0 0 99 1,-0.1 3,-0.7 2,-0.1 4,-0.2 -0.405 74.0-110.5 -64.6 127.6 26.8 37.1 33.1 95 95 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.165 98.2 31.3 -58.5 150.4 29.5 35.2 34.8 96 96 A G T 3 S+ 0 0 89 2,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.706 90.7 104.7 74.4 23.3 28.6 32.5 37.3 97 97 A T < + 0 0 35 -3,-0.7 7,-0.5 -5,-0.1 2,-0.1 0.843 58.7 74.3 -96.6 -46.7 25.4 31.7 35.5 98 98 A K + 0 0 73 -4,-0.2 40,-0.2 40,-0.1 -2,-0.1 -0.442 57.2 162.6 -74.0 140.5 26.2 28.4 33.8 99 99 A D B > -k 138 0C 46 38,-1.6 3,-1.5 -2,-0.1 40,-1.1 -0.912 53.1 -87.5-148.7 173.5 26.4 25.2 35.8 100 100 A P T 3 S+ 0 0 80 0, 0.0 46,-0.4 0, 0.0 38,-0.1 0.683 124.5 40.6 -60.5 -20.6 26.3 21.4 35.2 101 101 A V T 3 S- 0 0 45 36,-0.1 37,-0.1 44,-0.1 44,-0.1 0.233 108.9-116.1-112.5 14.1 22.4 21.1 35.4 102 102 A G X + 0 0 0 -3,-1.5 3,-2.1 35,-0.3 4,-0.3 0.888 46.3 172.4 55.6 43.2 21.6 24.3 33.5 103 103 A T G > S+ 0 0 75 1,-0.3 3,-0.9 34,-0.2 -5,-0.1 0.885 72.3 55.5 -46.9 -43.6 19.9 26.0 36.4 104 104 A A G > S+ 0 0 11 -7,-0.5 3,-2.2 33,-0.3 -1,-0.3 0.600 77.5 94.9 -71.9 -13.2 19.5 29.3 34.6 105 105 A A G < S+ 0 0 4 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.838 102.8 24.3 -48.3 -38.2 17.6 27.8 31.6 106 106 A D G < S+ 0 0 21 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.006 84.6 147.4-118.3 28.9 14.3 28.7 33.4 107 107 A D X - 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0 0 30 0, 0.0 -23,-2.2 0, 0.0 2,-0.4 -0.418 36.7-149.7 -59.5 135.3 2.9 20.5 10.5 284 284 A I E -c 260 0A 6 38,-0.3 40,-2.9 -25,-0.2 41,-1.4 -0.924 10.2-161.9-112.0 133.3 6.5 20.0 9.3 285 285 A C E -cd 261 325A 0 -25,-2.9 -23,-2.6 -2,-0.4 2,-0.4 -0.947 8.3-147.9-120.6 132.1 9.0 22.7 9.8 286 286 A A E -cd 262 326A 0 39,-2.5 41,-3.0 -2,-0.4 2,-0.7 -0.849 8.7-149.6 -93.3 134.4 12.4 23.2 8.1 287 287 A Y E - d 0 327A 1 -25,-2.2 2,-1.1 -2,-0.4 41,-0.2 -0.920 2.8-156.8-106.6 110.0 15.2 24.8 10.1 288 288 A H E - d 0 328A 0 39,-2.7 41,-0.5 -2,-0.7 42,-0.1 -0.720 31.9-146.2 -79.5 97.1 17.5 26.7 7.7 289 289 A V > - 0 0 1 -2,-1.1 4,-2.8 39,-0.1 3,-0.4 -0.142 20.1 -98.5 -81.6 171.0 20.5 26.6 10.1 290 290 A S H > S+ 0 0 1 1,-0.3 4,-2.8 2,-0.2 -74,-0.2 0.844 121.1 45.1 -52.0 -44.9 23.3 29.0 10.7 291 291 A G H > S+ 0 0 12 -76,-2.6 4,-2.1 2,-0.2 -1,-0.3 0.841 112.5 50.3 -73.6 -34.8 25.8 27.2 8.5 292 292 A E H > S+ 0 0 4 -77,-0.5 4,-1.8 -3,-0.4 -2,-0.2 0.934 114.8 45.7 -66.0 -44.0 23.4 26.7 5.6 293 293 A Y H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 3,-0.3 0.945 113.8 47.0 -59.9 -52.7 22.5 30.5 5.8 294 294 A A H X S+ 0 0 22 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.851 109.0 57.2 -64.1 -33.4 26.1 31.6 6.1 295 295 A M H X S+ 0 0 85 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.892 105.7 48.8 -61.6 -43.6 26.9 29.3 3.1 296 296 A L H X S+ 0 0 26 -4,-1.8 4,-2.4 -3,-0.3 5,-0.2 0.923 113.1 48.1 -62.4 -45.7 24.4 31.0 0.9 297 297 A H H X S+ 0 0 18 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.944 112.0 49.2 -62.0 -45.7 25.8 34.4 1.9 298 298 A A H X S+ 0 0 56 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.909 113.4 45.9 -58.4 -44.8 29.4 33.2 1.2 299 299 A A H <>S+ 0 0 25 -4,-2.4 5,-2.2 2,-0.2 6,-0.7 0.901 113.6 49.1 -68.6 -36.9 28.5 31.8 -2.2 300 300 A A H ><5S+ 0 0 23 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.901 108.9 53.2 -67.2 -38.9 26.6 35.0 -3.1 301 301 A E H 3<5S+ 0 0 153 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.3 49.1 -66.0 -27.2 29.5 37.1 -2.0 302 302 A K T 3<5S- 0 0 174 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.430 118.0-115.3 -87.6 -7.5 31.8 35.1 -4.3 303 303 A G T < 5S+ 0 0 61 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.470 81.8 123.4 80.3 13.1 29.3 35.5 -7.2 304 304 A V S - 0 0 93 -2,-0.3 4,-2.8 1,-0.1 5,-0.4 -0.883 30.8-136.0 -91.3 123.7 22.4 35.4 -6.5 307 307 A L H > S+ 0 0 39 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.914 100.9 41.5 -50.2 -52.1 21.4 35.7 -2.8 308 308 A K H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.945 116.0 51.0 -62.9 -46.5 17.6 36.4 -3.4 309 309 A T H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.941 114.7 40.5 -57.0 -51.6 17.4 33.8 -6.2 310 310 A I H X S+ 0 0 32 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.792 111.0 58.9 -74.4 -25.0 19.0 31.0 -4.2 311 311 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.4 5,-0.3 0.948 111.1 41.5 -65.3 -45.5 17.1 32.0 -1.1 312 312 A F H X S+ 0 0 42 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.922 114.8 52.1 -66.1 -38.6 13.9 31.5 -3.0 313 313 A E H X S+ 0 0 118 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.957 114.1 41.8 -61.4 -51.1 15.2 28.3 -4.6 314 314 A S H X S+ 0 0 15 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.903 117.1 46.6 -62.3 -44.6 16.2 26.8 -1.2 315 315 A H H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.891 110.6 51.6 -73.3 -32.7 13.1 27.9 0.7 316 316 A Q H X S+ 0 0 102 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.864 104.4 61.6 -64.3 -32.2 10.8 26.7 -2.1 317 317 A G H X S+ 0 0 2 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.899 99.8 53.1 -56.1 -46.4 12.8 23.4 -1.8 318 318 A F H <>S+ 0 0 0 -4,-1.6 5,-2.2 1,-0.2 4,-0.4 0.938 111.1 45.0 -57.8 -46.8 11.6 23.0 1.8 319 319 A L H ><5S+ 0 0 5 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.893 110.9 54.4 -64.5 -39.8 7.9 23.4 0.8 320 320 A R H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.903 105.5 53.5 -60.1 -40.7 8.4 21.0 -2.2 321 321 A A T 3<5S- 0 0 7 -4,-2.3 -45,-0.3 -5,-0.2 -1,-0.3 0.505 132.4 -87.9 -76.6 -5.6 9.8 18.4 0.2 322 322 A G T < 5S+ 0 0 13 -3,-1.3 -38,-0.3 -4,-0.4 -3,-0.2 0.242 82.1 133.5 121.3 -7.9 6.7 18.6 2.5 323 323 A A < - 0 0 0 -5,-2.2 -1,-0.4 -6,-0.2 -38,-0.2 -0.417 28.2-178.8 -68.3 151.6 7.4 21.4 5.0 324 324 A R S S+ 0 0 97 -40,-2.9 2,-0.3 1,-0.2 -39,-0.2 0.337 70.0 50.0-124.3 3.2 4.8 24.0 5.6 325 325 A L E - d 0 285A 42 -41,-1.4 -39,-2.5 -7,-0.1 2,-0.4 -0.968 64.8-160.8-139.3 148.2 6.8 26.1 8.1 326 326 A I E -ad 41 286A 0 -286,-2.7 -284,-2.4 -2,-0.3 2,-0.7 -0.960 12.1-157.9-138.7 118.3 10.3 27.5 8.0 327 327 A I E +ad 42 287A 0 -41,-3.0 -39,-2.7 -2,-0.4 2,-0.3 -0.846 39.0 160.9 -85.1 119.3 12.6 28.7 10.7 328 328 A T E > - d 0 288A 0 -286,-2.2 3,-1.3 -2,-0.7 -39,-0.1 -0.992 53.4-144.7-151.4 137.0 15.0 31.0 8.8 329 329 A Y T 3 S+ 0 0 1 -41,-0.5 4,-0.2 -2,-0.3 -1,-0.1 0.575 103.0 68.3 -70.7 -11.4 17.5 33.8 9.4 330 330 A L T 3> + 0 0 0 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.310 64.3 110.2 -89.8 12.9 16.3 35.2 6.1 331 331 A A H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.920 74.6 53.1 -55.1 -45.9 12.8 36.0 7.5 332 332 A P H > S+ 0 0 29 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.937 110.6 48.1 -57.1 -45.1 13.4 39.8 7.3 333 333 A E H >> S+ 0 0 41 -4,-0.2 4,-3.4 1,-0.2 3,-0.8 0.926 112.2 48.7 -57.9 -46.0 14.4 39.6 3.6 334 334 A F H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.832 101.0 62.7 -68.2 -29.7 11.3 37.4 2.8 335 335 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.844 115.5 35.1 -66.4 -25.2 8.9 39.8 4.6 336 336 A D H XX S+ 0 0 68 -4,-1.0 3,-1.3 -3,-0.8 4,-0.8 0.829 117.0 51.9 -84.2 -48.9 10.0 42.3 2.0 337 337 A W H 3< S+ 0 0 39 -4,-3.4 3,-0.2 1,-0.3 -3,-0.2 0.857 102.5 58.9 -62.2 -32.5 10.5 40.0 -1.0 338 338 A L T 3< S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.2 -3,-0.1 0.602 93.8 66.1 -77.2 -8.6 7.0 38.4 -0.7 339 339 A D T <4 0 0 102 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.977 360.0 360.0 -66.8 -50.0 5.2 41.7 -1.1 340 340 A E < 0 0 162 -4,-0.8 -3,-0.1 -3,-0.2 -2,-0.1 0.813 360.0 360.0 -72.7 360.0 6.5 42.0 -4.7