==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDRATASE 18-JUL-01 1EB3 . COMPND 2 MOLECULE: 5-AMINOLAEVULINIC ACID DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.T.ERSKINE,L.COATES,R.NEWBOLD,A.A.BRINDLEY,F.STAUFFER, . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.2 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 . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 30.6 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 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 1 4 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 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 0.000 360.0 360.0 360.0 129.7 31.7 17.5 -45.1 2 2 A H - 0 0 179 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.741 360.0-173.0 -70.7 123.1 30.4 16.4 -41.6 3 3 A T - 0 0 103 -2,-0.6 2,-0.7 0, 0.0 0, 0.0 -0.764 31.8 -85.9-117.5 164.0 26.7 17.2 -41.8 4 4 A A - 0 0 73 -2,-0.3 2,-0.2 1,-0.0 -2,-0.0 -0.629 42.4-151.8 -75.9 102.0 23.8 17.2 -39.3 5 5 A E - 0 0 164 -2,-0.7 2,-0.4 0, 0.0 -1,-0.0 -0.559 10.2-168.3 -80.9 140.7 22.3 13.7 -39.1 6 6 A F - 0 0 180 -2,-0.2 2,-0.2 3,-0.0 3,-0.0 -0.996 15.0-136.4-130.1 122.3 18.7 13.4 -38.2 7 7 A L - 0 0 136 -2,-0.4 2,-0.5 1,-0.1 0, 0.0 -0.500 24.0-109.1 -82.4 153.8 17.2 10.0 -37.3 8 8 A E - 0 0 195 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.643 46.6-173.2 -72.1 123.2 13.8 8.9 -38.6 9 9 A T - 0 0 122 -2,-0.5 3,-0.1 1,-0.0 -3,-0.0 -0.877 21.0-113.1-126.9 160.0 11.4 8.9 -35.6 10 10 A E - 0 0 163 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 -0.261 51.4 -71.5 -75.8 164.2 7.8 7.9 -34.9 11 11 A P - 0 0 122 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.203 65.2 -85.6 -55.0 150.5 4.9 10.2 -34.1 12 12 A T - 0 0 118 -3,-0.1 2,-0.4 1,-0.1 3,-0.1 -0.311 38.8-132.7 -61.8 133.6 4.9 11.8 -30.7 13 13 A E > - 0 0 115 1,-0.1 3,-1.1 -3,-0.1 4,-0.5 -0.731 8.7-136.8 -85.1 139.4 3.5 9.8 -27.9 14 14 A I G > S+ 0 0 162 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.894 104.2 63.4 -59.8 -36.9 1.0 11.7 -25.7 15 15 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.725 97.2 58.3 -58.3 -26.6 2.7 10.1 -22.6 16 16 A S G < S+ 0 0 82 -3,-1.1 2,-0.9 1,-0.1 -1,-0.3 0.724 85.0 95.8 -72.5 -21.1 5.9 11.8 -23.5 17 17 A V < + 0 0 84 -3,-1.8 -1,-0.1 -4,-0.5 3,-0.0 -0.671 26.6 140.8 -96.3 103.8 4.5 15.3 -23.4 18 18 A L > + 0 0 123 -2,-0.9 3,-2.6 1,-0.1 4,-0.3 0.564 51.5 91.5-101.1 -23.8 4.9 17.3 -20.2 19 19 A A G > S+ 0 0 61 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.762 70.7 70.4 -55.7 -29.0 5.6 20.7 -21.7 20 20 A G G 3 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.760 93.9 62.0 -63.4 -17.4 2.0 21.9 -21.7 21 21 A G G < S+ 0 0 24 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.637 113.9 22.1 -84.9 -13.2 2.2 22.1 -17.9 22 22 A Y S < S+ 0 0 127 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.050 76.8 114.9-147.4 38.5 5.0 24.7 -17.4 23 23 A N S S+ 0 0 105 -4,-0.3 -1,-0.1 -3,-0.3 -3,-0.1 0.383 76.2 50.9 -88.0 1.8 5.4 26.9 -20.4 24 24 A H S >> S- 0 0 99 -3,-0.1 4,-1.8 1,-0.1 3,-0.7 -0.986 85.1-118.9-140.8 144.1 4.2 30.1 -18.6 25 25 A P H 3> S+ 0 0 76 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.816 113.6 56.0 -60.3 -32.3 5.4 31.7 -15.3 26 26 A L H 3> S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.889 107.2 50.1 -66.4 -33.5 1.9 31.4 -13.8 27 27 A L H <> S+ 0 0 35 -3,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.900 102.0 59.4 -70.6 -34.2 1.9 27.7 -14.5 28 28 A R H < S+ 0 0 141 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.793 109.4 46.3 -65.7 -19.3 5.3 27.3 -12.9 29 29 A Q H >< S+ 0 0 104 -4,-1.0 3,-1.9 -3,-0.4 -2,-0.2 0.899 108.2 54.6 -78.4 -47.0 3.5 28.7 -9.8 30 30 A W H 3< S+ 0 0 169 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.703 98.2 66.0 -51.7 -31.6 0.5 26.4 -10.2 31 31 A Q T 3< S+ 0 0 122 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.3 0.590 79.4 101.0 -76.6 -9.4 2.9 23.4 -10.2 32 32 A S S < S- 0 0 48 -3,-1.9 3,-0.2 1,-0.2 -3,-0.0 -0.549 70.5-142.3 -78.4 137.1 3.9 24.1 -6.6 33 33 A E S S+ 0 0 132 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.879 88.7 5.1 -68.7 -25.2 2.3 21.8 -4.0 34 34 A R S S- 0 0 78 282,-0.1 -1,-0.2 -5,-0.1 2,-0.2 -0.980 76.2-122.6-156.2 146.9 2.2 24.8 -1.8 35 35 A Q - 0 0 111 -2,-0.3 2,-0.5 -3,-0.2 -6,-0.0 -0.662 27.5-111.6 -91.0 148.7 3.0 28.5 -2.0 36 36 A L + 0 0 24 -2,-0.2 2,-0.3 3,-0.0 -1,-0.1 -0.639 42.9 176.1 -69.5 109.1 5.3 30.6 0.2 37 37 A T > - 0 0 61 -2,-0.5 3,-1.3 1,-0.1 4,-0.2 -0.809 40.5-113.0-118.2 162.5 3.3 33.0 2.4 38 38 A K G > S+ 0 0 47 -2,-0.3 3,-1.8 1,-0.3 46,-0.4 0.872 110.9 63.0 -62.3 -39.0 4.5 35.4 5.1 39 39 A N G 3 S+ 0 0 94 1,-0.3 -1,-0.3 44,-0.1 43,-0.0 0.435 91.1 68.1 -74.1 3.8 2.8 33.6 7.9 40 40 A M G < S+ 0 0 22 -3,-1.3 286,-2.9 285,-0.1 2,-0.4 0.486 82.1 97.8 -88.7 -13.8 5.0 30.5 7.3 41 41 A L E < -a 326 0A 1 -3,-1.8 43,-0.5 -4,-0.2 44,-0.5 -0.679 50.1-173.2 -90.9 132.5 8.1 32.3 8.4 42 42 A I E -a 327 0A 7 284,-2.6 286,-2.1 -2,-0.4 44,-0.2 -0.987 12.0-154.4-122.8 123.8 9.6 32.0 11.9 43 43 A F E -e 86 0B 1 42,-2.0 44,-1.5 -2,-0.4 2,-0.2 -0.872 12.1-131.9-105.2 123.3 12.5 34.3 12.8 44 44 A P E -e 87 0B 3 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.481 19.4-164.6 -73.4 141.2 15.1 33.3 15.5 45 45 A L E -e 88 0B 3 42,-2.4 44,-2.2 -2,-0.2 2,-0.7 -0.980 10.3-151.2-120.4 135.8 16.0 35.9 18.1 46 46 A F E -ef 89 65B 2 18,-0.8 20,-2.9 -2,-0.4 2,-0.5 -0.925 16.3-157.8-106.3 110.3 19.1 35.7 20.3 47 47 A I E -ef 90 66B 0 42,-2.8 44,-2.5 -2,-0.7 20,-0.2 -0.784 3.1-154.2 -94.4 126.9 18.3 37.5 23.6 48 48 A S E -e 91 0B 2 18,-1.5 20,-0.4 -2,-0.5 5,-0.1 -0.576 21.6-129.7 -85.8 153.2 21.3 38.7 25.7 49 49 A D S S+ 0 0 31 42,-1.1 -1,-0.1 -2,-0.2 18,-0.1 0.642 94.2 87.1 -81.8 -9.4 21.2 39.1 29.5 50 50 A N S > S- 0 0 68 1,-0.1 3,-2.2 2,-0.0 -2,-0.2 -0.810 75.9-152.5 -80.8 109.1 22.7 42.6 28.9 51 51 A P T 3 S+ 0 0 54 0, 0.0 18,-1.7 0, 0.0 19,-0.6 0.602 91.1 48.3 -63.8 -13.6 19.5 44.6 28.2 52 52 A D T 3 S+ 0 0 92 17,-0.1 -3,-0.0 16,-0.1 -2,-0.0 0.340 84.4 132.3-108.6 5.6 21.2 47.1 26.0 53 53 A D < + 0 0 15 -3,-2.2 14,-2.4 1,-0.1 17,-0.2 -0.253 19.0 158.4 -58.4 140.0 23.0 44.6 23.9 54 54 A F E +G 66 0B 66 12,-0.2 2,-0.5 2,-0.0 12,-0.2 -0.399 20.5 163.8-156.7 71.2 23.1 44.8 20.1 55 55 A T E -G 65 0B 59 10,-2.1 10,-2.8 0, 0.0 2,-0.2 -0.832 30.2-138.5-100.3 123.9 26.1 42.7 19.1 56 56 A E E -G 64 0B 142 -2,-0.5 2,-0.4 8,-0.2 8,-0.2 -0.589 17.5-144.8 -82.7 144.5 26.5 41.5 15.5 57 57 A I > - 0 0 11 6,-1.9 3,-2.4 3,-0.4 6,-0.2 -0.920 66.6 -19.2-113.9 134.0 27.8 38.0 15.0 58 58 A D T 3 S- 0 0 76 -2,-0.4 -1,-0.1 1,-0.3 164,-0.0 0.683 110.1 -77.3 48.3 24.8 30.1 36.7 12.3 59 59 A S T 3 S+ 0 0 119 1,-0.2 -1,-0.3 4,-0.1 -3,-0.0 0.549 93.7 140.4 61.5 14.3 29.2 39.8 10.1 60 60 A L X - 0 0 16 -3,-2.4 3,-0.8 3,-0.2 -3,-0.4 -0.646 52.4-137.3 -85.8 142.4 25.8 38.3 9.2 61 61 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.890 95.4 42.9 -68.3 -38.8 22.9 40.7 9.0 62 62 A N T 3 S+ 0 0 18 1,-0.1 2,-0.3 -6,-0.0 269,-0.1 -0.014 95.6 79.2-112.1 38.4 20.2 38.6 10.7 63 63 A I < + 0 0 0 -3,-0.8 -6,-1.9 -6,-0.2 2,-0.4 -0.866 57.2 146.2-134.0 93.8 22.2 37.1 13.6 64 64 A N E - G 0 56B 13 -2,-0.3 -18,-0.8 -8,-0.2 2,-0.7 -0.990 49.2-126.7-127.4 143.7 22.5 39.6 16.4 65 65 A R E -fG 46 55B 35 -10,-2.8 -10,-2.1 -2,-0.4 2,-0.4 -0.840 39.6-170.7 -82.2 115.9 22.6 39.2 20.2 66 66 A I E -fG 47 54B 2 -20,-2.9 -18,-1.5 -2,-0.7 -12,-0.2 -0.942 16.1-145.8-119.3 131.5 19.8 41.7 21.4 67 67 A G >> - 0 0 0 -14,-2.4 3,-1.8 -2,-0.4 4,-0.6 -0.575 33.9-103.9 -90.3 158.0 18.9 42.8 24.9 68 68 A V H 3> S+ 0 0 25 -20,-0.4 4,-0.5 1,-0.3 3,-0.4 0.708 116.9 57.4 -56.3 -31.2 15.3 43.6 25.9 69 69 A N H 34 S+ 0 0 107 -18,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.725 111.3 47.2 -75.6 -15.2 15.5 47.4 25.8 70 70 A R H <> S+ 0 0 110 -3,-1.8 4,-1.2 -19,-0.6 3,-0.2 0.533 92.2 82.4 -95.5 -13.8 16.6 47.0 22.2 71 71 A L H X S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.4 5,-0.3 0.852 83.4 56.2 -65.5 -36.6 13.9 44.5 21.2 72 72 A K H X S+ 0 0 91 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.890 108.2 46.5 -69.2 -35.3 11.0 46.9 20.5 73 73 A D H 4 S+ 0 0 123 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.825 116.7 47.7 -68.6 -33.4 12.9 49.0 17.9 74 74 A Y H X S+ 0 0 41 -4,-1.2 4,-0.5 1,-0.1 -2,-0.2 0.834 116.9 38.3 -76.8 -40.2 14.1 45.8 16.2 75 75 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.1 5,-0.4 0.831 96.7 80.8 -83.8 -30.3 10.8 44.0 16.1 76 76 A K H X S+ 0 0 129 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.1 0.823 99.7 35.3 -50.0 -51.3 8.5 46.9 15.2 77 77 A P H > S+ 0 0 65 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.752 116.4 56.0 -75.6 -26.7 9.1 47.1 11.5 78 78 A L H <>S+ 0 0 14 -4,-0.5 5,-1.9 -3,-0.3 3,-0.5 0.943 112.4 41.0 -64.1 -50.6 9.5 43.3 11.2 79 79 A V H ><5S+ 0 0 51 -4,-3.4 3,-1.3 1,-0.2 -1,-0.2 0.833 110.1 62.2 -64.8 -29.6 6.0 42.9 12.7 80 80 A A H 3<5S+ 0 0 77 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.848 102.2 49.7 -57.3 -41.1 5.1 45.9 10.5 81 81 A K T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.259 133.7 -86.7 -87.5 7.7 6.0 43.8 7.4 82 82 A G T < 5 + 0 0 26 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.573 64.0 166.6 100.7 14.5 3.9 40.8 8.6 83 83 A L < + 0 0 6 -5,-1.9 -1,-0.2 1,-0.2 -44,-0.1 -0.392 7.8 179.4 -63.0 130.9 6.2 38.8 10.8 84 84 A R + 0 0 124 -43,-0.5 43,-2.5 -46,-0.4 2,-0.3 0.669 52.9 23.9-110.8 -18.2 4.0 36.3 12.7 85 85 A S E - h 0 127B 9 -44,-0.5 -42,-2.0 41,-0.2 2,-0.3 -1.000 50.9-163.2-155.5 148.2 6.3 34.3 14.9 86 86 A V E -eh 43 128B 0 41,-2.1 43,-2.5 -2,-0.3 2,-0.5 -0.926 12.7-146.4-129.0 153.3 9.7 34.2 16.7 87 87 A I E -eh 44 129B 0 -44,-1.5 -42,-2.4 -2,-0.3 2,-0.4 -0.980 24.8-142.6-122.2 114.6 11.8 31.5 18.2 88 88 A L E -eh 45 130B 1 41,-3.4 43,-2.0 -2,-0.5 2,-0.4 -0.657 18.9-177.9 -89.6 133.7 13.8 32.6 21.3 89 89 A F E -e 46 0B 2 -44,-2.2 -42,-2.8 -2,-0.4 2,-0.3 -0.993 20.3-137.6-121.0 130.5 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 -0.651 16.3-174.2 -91.6 141.9 18.9 32.7 25.4 91 91 A V E -e 48 0B 1 -44,-2.5 -42,-1.1 -2,-0.3 2,-0.7 -0.640 6.9-169.7-132.1 77.3 22.5 33.9 25.7 92 92 A P + 0 0 8 0, 0.0 6,-0.1 0, 0.0 -44,-0.1 -0.595 9.5 174.7 -67.6 109.3 23.3 34.5 29.4 93 93 A L + 0 0 76 -2,-0.7 -45,-0.0 2,-0.1 4,-0.0 0.579 40.0 111.8 -94.0 -10.9 26.6 36.3 29.3 94 94 A I S > S- 0 0 95 1,-0.1 3,-1.1 2,-0.1 4,-0.3 -0.449 74.0-112.4 -69.4 130.1 26.9 37.1 33.1 95 95 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.163 96.0 27.2 -61.0 153.4 29.6 35.1 34.7 96 96 A G T 3 S+ 0 0 86 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.404 91.7 105.9 73.5 2.3 28.9 32.3 37.3 97 97 A T < + 0 0 36 -3,-1.1 7,-0.5 -5,-0.1 2,-0.2 0.895 60.0 74.9 -79.1 -40.3 25.5 31.8 35.6 98 98 A K + 0 0 68 -4,-0.3 40,-0.2 40,-0.1 -2,-0.1 -0.520 57.5 161.8 -79.3 143.3 26.2 28.5 33.9 99 99 A D B > -k 138 0C 42 38,-1.4 3,-1.5 -2,-0.2 40,-0.8 -0.893 53.0 -86.2-150.3 172.0 26.4 25.2 35.9 100 100 A P T 3 S+ 0 0 81 0, 0.0 46,-0.5 0, 0.0 38,-0.1 0.647 123.4 41.6 -68.9 -9.5 26.3 21.5 35.3 101 101 A V T 3 S- 0 0 63 36,-0.1 37,-0.1 44,-0.1 44,-0.1 0.272 108.5-115.3-118.3 14.9 22.4 21.2 35.5 102 102 A G X + 0 0 0 -3,-1.5 3,-2.3 35,-0.3 4,-0.3 0.856 47.8 169.1 62.0 37.1 21.5 24.3 33.5 103 103 A T G > S+ 0 0 77 1,-0.3 3,-0.8 2,-0.1 -5,-0.1 0.838 71.7 56.8 -50.4 -39.6 19.9 26.2 36.5 104 104 A A G > S+ 0 0 14 -7,-0.5 3,-2.2 33,-0.4 -1,-0.3 0.628 79.5 93.1 -70.8 -13.2 19.6 29.5 34.6 105 105 A A G < S+ 0 0 3 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.842 101.3 25.2 -48.7 -45.6 17.7 27.9 31.7 106 106 A D G < S+ 0 0 23 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 -0.001 84.9 147.7-108.6 29.1 14.3 28.8 33.4 107 107 A D X - 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0 0 31 0, 0.0 -23,-2.5 0, 0.0 2,-0.5 -0.379 35.4-149.5 -57.8 130.4 2.9 20.5 10.5 284 284 A I E -c 260 0A 4 38,-0.3 40,-2.6 -25,-0.2 41,-1.6 -0.896 10.4-163.0-107.5 134.5 6.5 20.0 9.3 285 285 A C E -cd 261 325A 0 -25,-3.0 -23,-2.8 -2,-0.5 2,-0.4 -0.935 7.8-146.8-122.8 130.2 8.9 22.8 9.8 286 286 A A E -cd 262 326A 0 39,-3.1 41,-2.8 -2,-0.5 2,-0.7 -0.847 7.3-149.4 -94.9 134.3 12.3 23.3 8.1 287 287 A Y E - d 0 327A 1 -25,-2.2 2,-1.1 -2,-0.4 -22,-0.2 -0.901 1.4-158.6-107.0 106.0 15.2 24.9 10.0 288 288 A H E - d 0 328A 1 39,-2.7 41,-0.5 -2,-0.7 42,-0.1 -0.718 30.4-145.4 -77.6 99.4 17.5 26.8 7.6 289 289 A V > - 0 0 2 -2,-1.1 4,-2.9 39,-0.1 3,-0.3 -0.152 20.1-104.6 -79.4 165.7 20.5 26.6 9.9 290 290 A S H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.820 120.8 52.3 -57.8 -36.2 23.2 29.3 10.5 291 291 A G H > S+ 0 0 12 -76,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.885 112.2 45.1 -65.2 -43.0 25.7 27.2 8.5 292 292 A E H > S+ 0 0 3 -77,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.895 114.5 49.6 -67.0 -44.4 23.3 26.9 5.5 293 293 A Y H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.909 114.4 42.9 -59.6 -48.0 22.4 30.6 5.7 294 294 A A H X S+ 0 0 23 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.795 108.4 60.1 -75.4 -26.5 26.1 31.8 5.8 295 295 A M H X S+ 0 0 89 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.922 106.1 47.9 -63.9 -43.4 27.0 29.3 3.1 296 296 A L H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 112.7 48.7 -65.3 -40.0 24.5 31.1 0.8 297 297 A H H X S+ 0 0 19 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.946 111.8 48.9 -64.1 -44.9 25.9 34.4 1.8 298 298 A A H X S+ 0 0 63 -4,-2.9 4,-1.7 1,-0.2 3,-0.3 0.935 112.6 47.6 -55.4 -51.2 29.4 33.2 1.1 299 299 A A H <>S+ 0 0 27 -4,-2.7 5,-2.4 1,-0.2 6,-0.8 0.892 111.2 51.5 -59.0 -41.0 28.5 31.8 -2.3 300 300 A A H <5S+ 0 0 26 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.807 108.9 50.0 -71.0 -27.4 26.6 35.0 -3.2 301 301 A E H <5S+ 0 0 159 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.839 108.0 52.7 -79.5 -28.9 29.6 37.2 -2.3 302 302 A K T <5S- 0 0 183 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.498 118.7-114.0 -81.4 -3.7 32.0 35.1 -4.4 303 303 A G T 5S+ 0 0 64 -3,-0.4 -3,-0.2 -4,-0.4 -2,-0.1 0.565 82.9 121.7 83.7 12.8 29.6 35.5 -7.3 304 304 A V S - 0 0 91 -2,-0.3 4,-3.4 1,-0.2 5,-0.4 -0.925 30.1-140.7-100.1 121.9 22.4 35.4 -6.6 307 307 A L H > S+ 0 0 38 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.922 99.5 40.9 -54.2 -59.0 21.4 35.7 -3.0 308 308 A K H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 118.1 50.7 -53.0 -44.3 17.7 36.5 -3.5 309 309 A T H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.944 113.9 40.1 -62.4 -51.1 17.5 33.9 -6.3 310 310 A I H X S+ 0 0 32 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.813 112.3 59.4 -72.5 -22.5 19.1 31.0 -4.4 311 311 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.4 5,-0.3 0.944 109.1 42.5 -66.8 -45.5 17.2 32.0 -1.3 312 312 A F H X S+ 0 0 41 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.925 114.5 51.6 -65.9 -39.5 13.9 31.5 -3.1 313 313 A E H X S+ 0 0 123 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.964 113.2 44.1 -62.4 -50.1 15.2 28.3 -4.7 314 314 A S H X S+ 0 0 16 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.916 115.9 46.7 -60.9 -42.7 16.2 26.8 -1.3 315 315 A H H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.866 110.3 51.7 -76.3 -33.2 13.0 27.9 0.5 316 316 A Q H X S+ 0 0 104 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.3 0.886 104.0 60.2 -64.3 -35.0 10.8 26.6 -2.2 317 317 A G H X S+ 0 0 1 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.909 100.1 55.2 -57.4 -41.0 12.6 23.3 -1.9 318 318 A F H X>S+ 0 0 0 -4,-1.5 5,-1.9 1,-0.2 4,-0.5 0.950 111.3 43.4 -55.2 -49.5 11.6 23.1 1.7 319 319 A L H ><5S+ 0 0 4 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.894 111.8 53.7 -66.0 -41.1 7.9 23.4 0.7 320 320 A R H 3<5S+ 0 0 145 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.905 106.9 53.4 -55.5 -42.7 8.4 21.0 -2.3 321 321 A A H 3<5S- 0 0 8 -4,-2.6 -45,-0.3 -5,-0.2 -1,-0.3 0.536 131.6 -87.2 -76.0 -7.1 9.8 18.5 0.2 322 322 A G T <<5S+ 0 0 12 -3,-1.1 -38,-0.3 -4,-0.5 -3,-0.2 0.299 81.7 132.0 126.5 -17.1 6.8 18.6 2.5 323 323 A A < - 0 0 0 -5,-1.9 -1,-0.4 -6,-0.2 -38,-0.2 -0.385 28.6-177.9 -66.0 141.8 7.4 21.5 5.0 324 324 A R S S+ 0 0 98 -40,-2.6 2,-0.3 1,-0.1 -39,-0.2 0.309 72.0 48.5-119.3 3.6 4.6 24.0 5.6 325 325 A L E - d 0 285A 43 -41,-1.6 -39,-3.1 -7,-0.1 2,-0.4 -0.985 65.1-160.1-139.6 152.7 6.7 26.1 8.0 326 326 A I E -ad 41 286A 0 -286,-2.9 -284,-2.6 -2,-0.3 2,-0.6 -0.954 12.2-159.2-141.5 121.1 10.2 27.6 7.9 327 327 A I E +ad 42 287A 0 -41,-2.8 -39,-2.7 -2,-0.4 2,-0.3 -0.882 38.4 160.9 -89.7 120.7 12.6 28.8 10.6 328 328 A T E > - d 0 288A 0 -286,-2.1 3,-1.4 -2,-0.6 -39,-0.1 -0.988 53.0-144.7-153.5 137.7 15.0 31.1 8.8 329 329 A Y T 3 S+ 0 0 1 -41,-0.5 4,-0.2 -2,-0.3 -1,-0.1 0.520 103.3 67.2 -71.7 -8.6 17.5 33.8 9.3 330 330 A L T 3> + 0 0 0 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.330 65.0 109.8 -96.4 10.7 16.3 35.2 6.0 331 331 A A H <> S+ 0 0 0 -3,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.889 73.5 55.2 -52.7 -44.4 12.8 36.0 7.3 332 332 A P H > S+ 0 0 15 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.934 109.8 47.9 -57.6 -42.0 13.4 39.9 7.2 333 333 A E H >> S+ 0 0 38 -3,-0.3 4,-3.0 1,-0.2 3,-1.1 0.939 111.2 49.3 -61.8 -47.3 14.4 39.6 3.5 334 334 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.771 101.0 64.1 -67.5 -21.8 11.3 37.4 2.6 335 335 A L H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.780 114.6 33.4 -72.1 -22.7 9.0 39.8 4.4 336 336 A D H XX S+ 0 0 74 -3,-1.1 3,-1.6 -4,-0.7 4,-0.7 0.835 118.2 53.1 -87.5 -49.8 10.0 42.4 1.8 337 337 A W H >< S+ 0 0 39 -4,-3.0 3,-0.8 1,-0.3 -3,-0.2 0.826 101.5 57.4 -58.0 -37.6 10.4 40.0 -1.1 338 338 A L T 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.2 -3,-0.1 0.558 97.5 66.2 -78.1 -3.2 7.0 38.4 -0.9 339 339 A D T <4 0 0 105 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.819 360.0 360.0 -78.7 -36.6 5.5 41.8 -1.3 340 340 A E << 0 0 177 -3,-0.8 -3,-0.0 -4,-0.7 0, 0.0 0.217 360.0 360.0-100.0 360.0 6.9 42.1 -4.9