==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-AUG-10 3OKF . COMPND 2 MOLECULE: 3-DEHYDROQUINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR ELTOR; . AUTHOR G.MINASOV,S.H.LIGHT,L.SHUVALOVA,L.PAPAZISI,W.F.ANDERSON,CENT . 712 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 6.3 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 49 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.8 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 2 0 2 0 2 2 0 6 0 3 1 2 2 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 4 0 2 2 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 . 2 0 0 1 2 3 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 . 2 2 0 0 0 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 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 5 A T 0 0 129 0, 0.0 19,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.8 -9.5 -26.4 -33.4 2 6 A M E -A 19 0A 71 17,-0.1 2,-0.4 2,-0.0 17,-0.2 -0.896 360.0-149.0-168.2 134.2 -12.6 -27.0 -31.1 3 7 A E E -A 18 0A 94 15,-2.4 15,-2.6 -2,-0.3 2,-0.4 -0.855 11.6-162.2-106.7 144.6 -13.3 -27.2 -27.4 4 8 A R E -A 17 0A 119 -2,-0.4 2,-0.5 13,-0.2 13,-0.2 -0.995 3.8-170.1-129.8 126.7 -16.0 -29.3 -26.0 5 9 A I E -A 16 0A 16 11,-2.7 11,-2.4 -2,-0.4 2,-0.6 -0.971 10.9-151.9-120.8 121.8 -17.4 -28.9 -22.5 6 10 A T E -A 15 0A 81 -2,-0.5 2,-0.8 9,-0.2 7,-0.1 -0.822 11.3-146.6 -91.6 122.6 -19.8 -31.4 -21.0 7 11 A V E -A 14 0A 9 7,-3.3 7,-1.4 -2,-0.6 2,-0.7 -0.845 18.7-138.2 -90.1 113.9 -22.0 -29.7 -18.4 8 12 A N + 0 0 125 -2,-0.8 3,-0.1 5,-0.2 5,-0.1 -0.655 49.9 136.6 -82.6 110.7 -22.6 -32.4 -15.8 9 13 A L > - 0 0 40 -2,-0.7 3,-1.7 1,-0.5 2,-0.1 -0.181 63.3-113.4-144.5 41.4 -26.2 -32.5 -14.6 10 14 A G G > S+ 0 0 60 1,-0.3 3,-1.6 2,-0.2 -1,-0.5 -0.395 95.2 2.6 63.7-130.1 -27.0 -36.3 -14.5 11 15 A E G 3 S+ 0 0 197 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.750 134.7 58.1 -58.9 -26.1 -29.6 -37.4 -17.1 12 16 A R G < S+ 0 0 140 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.004 74.8 141.7 -96.1 26.5 -29.7 -33.8 -18.3 13 17 A S < - 0 0 53 -3,-1.6 -5,-0.2 -5,-0.1 -7,-0.0 -0.471 28.0-174.8 -69.4 139.1 -26.0 -33.5 -19.2 14 18 A Y E -A 7 0A 1 -7,-1.4 -7,-3.3 -2,-0.2 2,-0.3 -0.977 21.3-121.4-137.9 152.8 -25.2 -31.5 -22.4 15 19 A P E -A 6 0A 32 0, 0.0 148,-2.1 0, 0.0 2,-0.5 -0.685 12.5-155.5 -91.6 142.2 -22.2 -30.7 -24.5 16 20 A I E -Ab 5 163A 0 -11,-2.4 -11,-2.7 -2,-0.3 2,-0.5 -0.984 13.3-162.5-114.6 117.8 -21.1 -27.1 -25.3 17 21 A S E -Ab 4 164A 2 146,-2.7 148,-3.1 -2,-0.5 2,-0.4 -0.912 8.7-177.3-106.2 128.9 -19.1 -27.0 -28.6 18 22 A I E +Ab 3 165A 0 -15,-2.6 -15,-2.4 -2,-0.5 2,-0.3 -0.985 24.7 102.2-128.8 126.5 -16.9 -23.9 -29.3 19 23 A G E > -Ab 2 166A 0 146,-2.2 148,-1.5 -2,-0.4 3,-0.7 -0.980 65.9 -72.6 177.9 172.5 -14.9 -23.2 -32.4 20 24 A A T 3 S+ 0 0 34 -19,-0.5 146,-0.1 -2,-0.3 -2,-0.0 -0.734 111.6 9.9 -85.7 128.6 -14.4 -21.4 -35.7 21 25 A G T > S+ 0 0 30 -2,-0.4 3,-1.7 1,-0.0 -1,-0.2 0.685 75.3 141.8 80.2 21.0 -16.7 -22.7 -38.5 22 26 A L G X + 0 0 12 -3,-0.7 3,-2.2 1,-0.3 6,-0.2 0.799 61.2 73.3 -65.4 -24.9 -19.0 -24.9 -36.4 23 27 A F G 3 S+ 0 0 14 1,-0.3 -1,-0.3 5,-0.0 33,-0.2 0.555 91.3 59.3 -66.6 -4.0 -22.0 -23.8 -38.5 24 28 A A G < S+ 0 0 82 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.397 88.5 83.2 -99.7 0.4 -20.5 -26.0 -41.3 25 29 A N X - 0 0 60 -3,-2.2 3,-1.2 1,-0.1 4,-0.3 -0.817 52.6-176.9-110.7 96.1 -20.7 -29.2 -39.1 26 30 A P G > S+ 0 0 32 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.746 77.0 72.6 -61.2 -27.3 -24.2 -30.8 -39.1 27 31 A A G > S+ 0 0 68 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.839 83.0 69.2 -56.9 -36.3 -23.1 -33.5 -36.6 28 32 A L G < S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.3 -11,-0.1 0.735 95.0 56.3 -58.7 -21.5 -23.1 -31.0 -33.8 29 33 A L G < S- 0 0 6 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.735 91.5-146.2 -83.0 -24.2 -26.9 -30.7 -34.0 30 34 A S < + 0 0 96 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.1 0.932 45.5 146.4 56.4 51.1 -27.6 -34.5 -33.4 31 35 A L - 0 0 23 -5,-0.4 2,-0.3 4,-0.0 -1,-0.2 -0.641 38.4-137.2-113.3 171.3 -30.7 -34.5 -35.7 32 36 A S > - 0 0 73 -2,-0.2 3,-2.0 1,-0.0 29,-0.1 -0.947 31.3 -89.0-131.2 151.2 -32.3 -37.0 -38.0 33 37 A A T 3 S+ 0 0 64 -2,-0.3 29,-0.3 1,-0.3 28,-0.2 -0.164 113.1 15.6 -53.7 148.1 -33.8 -36.9 -41.5 34 38 A K T 3 S+ 0 0 160 27,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.417 91.2 135.1 65.3 -2.3 -37.6 -36.1 -41.5 35 39 A Q < - 0 0 51 -3,-2.0 28,-1.2 1,-0.1 2,-0.4 -0.596 63.1-112.8 -75.1 136.2 -37.3 -34.9 -37.8 36 40 A K E -c 63 0A 80 -2,-0.2 62,-2.1 26,-0.2 2,-0.4 -0.616 40.9-179.6 -74.5 128.2 -39.3 -31.6 -37.4 37 41 A V E -cd 64 98A 0 26,-2.7 28,-1.4 -2,-0.4 2,-0.4 -0.990 12.7-167.2-134.2 137.8 -37.1 -28.6 -36.6 38 42 A V E -cd 65 99A 0 60,-2.7 62,-3.2 -2,-0.4 2,-0.6 -0.987 8.5-154.0-126.1 131.3 -37.9 -24.9 -36.0 39 43 A I E -cd 66 100A 0 26,-2.6 28,-3.2 -2,-0.4 2,-0.6 -0.918 10.1-169.1-102.0 122.2 -35.4 -22.1 -36.0 40 44 A V E +cd 67 101A 0 60,-2.8 62,-2.2 -2,-0.6 28,-0.2 -0.972 27.6 134.3-114.0 123.1 -36.5 -19.1 -33.9 41 45 A T E -c 68 0A 0 26,-2.7 28,-2.8 -2,-0.6 2,-0.3 -0.536 48.7 -95.9-140.5-158.9 -34.3 -16.0 -34.3 42 46 A N E > -c 69 0A 14 60,-0.3 4,-2.2 26,-0.3 27,-0.0 -0.827 37.5 -97.2-126.4 174.3 -35.0 -12.3 -34.9 43 47 A H T 4 S+ 0 0 102 26,-1.7 25,-0.0 -2,-0.3 -1,-0.0 0.742 120.3 48.2 -63.4 -24.7 -35.2 -10.0 -38.0 44 48 A T T 4 S+ 0 0 75 2,-0.1 4,-0.4 1,-0.1 -1,-0.2 0.925 116.4 38.2 -80.4 -48.9 -31.5 -8.8 -37.6 45 49 A V T >>>S+ 0 0 18 1,-0.2 4,-2.4 2,-0.1 3,-1.2 0.835 101.2 75.3 -74.7 -32.1 -29.8 -12.2 -37.1 46 50 A A H 3X5S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.891 96.3 44.9 -46.9 -57.7 -32.0 -14.2 -39.6 47 51 A P H 345S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.683 116.3 49.4 -66.1 -16.9 -30.4 -12.8 -42.8 48 52 A L H <45S+ 0 0 86 -3,-1.2 -2,-0.2 -4,-0.4 4,-0.1 0.869 133.1 0.9 -88.0 -41.0 -26.9 -13.3 -41.3 49 53 A Y H X5S+ 0 0 28 -4,-2.4 4,-1.9 2,-0.1 5,-0.2 0.547 103.9 86.2-129.6 -9.5 -27.0 -16.9 -40.0 50 54 A A H X S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.902 106.9 50.7 -55.8 -40.9 -29.2 -19.6 -44.2 52 56 A A H > S+ 0 0 37 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.943 115.3 42.1 -59.6 -48.8 -26.2 -21.4 -42.8 53 57 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 3,-0.4 0.925 111.8 53.5 -66.1 -45.2 -28.3 -23.3 -40.2 54 58 A I H X S+ 0 0 37 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.839 104.8 58.3 -58.4 -30.4 -31.0 -24.0 -42.7 55 59 A S H X S+ 0 0 78 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.908 105.4 48.0 -66.7 -40.7 -28.3 -25.5 -44.9 56 60 A L H X S+ 0 0 12 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.911 111.0 50.6 -64.5 -45.3 -27.3 -27.9 -42.2 57 61 A L H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-1.7 0.879 110.5 49.6 -61.4 -39.9 -31.0 -29.0 -41.7 58 62 A D H <5S+ 0 0 96 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.872 109.6 51.5 -65.7 -38.6 -31.4 -29.6 -45.4 59 63 A H H <5S+ 0 0 152 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.968 112.6 45.5 -60.2 -53.3 -28.2 -31.7 -45.5 60 64 A I H <5S- 0 0 34 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.785 116.0-118.3 -60.8 -32.2 -29.5 -33.8 -42.6 61 65 A G T <5 + 0 0 35 -4,-1.7 -27,-2.4 1,-0.2 -3,-0.2 0.515 56.5 156.5 102.5 10.5 -33.0 -34.1 -44.3 62 66 A C < - 0 0 5 -5,-2.0 2,-0.6 -29,-0.3 -1,-0.2 -0.346 46.0-125.7 -67.9 143.6 -35.0 -32.3 -41.6 63 67 A Q E -c 36 0A 104 -28,-1.2 -26,-2.7 -2,-0.1 2,-0.3 -0.831 45.7-175.6 -86.2 124.8 -38.3 -30.7 -42.3 64 68 A H E -c 37 0A 61 -2,-0.6 2,-0.3 -28,-0.2 -26,-0.2 -0.839 26.2-167.8-128.2 163.4 -37.8 -27.1 -41.0 65 69 A A E -c 38 0A 12 -28,-1.4 -26,-2.6 -2,-0.3 2,-0.4 -0.974 16.6-138.5-143.9 150.7 -39.6 -23.8 -40.4 66 70 A L E -c 39 0A 54 -2,-0.3 2,-0.5 -28,-0.2 -26,-0.2 -0.962 10.5-168.9-119.3 129.8 -38.2 -20.3 -39.5 67 71 A L E -c 40 0A 20 -28,-3.2 -26,-2.7 -2,-0.4 2,-0.8 -0.974 6.8-162.0-116.7 120.5 -39.7 -17.8 -37.0 68 72 A E E -c 41 0A 78 -2,-0.5 -26,-0.3 -28,-0.2 -25,-0.1 -0.855 9.3-165.7-107.3 100.4 -38.3 -14.3 -37.0 69 73 A L E -c 42 0A 5 -28,-2.8 -26,-1.7 -2,-0.8 2,-0.2 -0.296 33.2 -91.0 -76.1 160.9 -39.1 -12.4 -33.9 70 74 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.528 43.7-111.3 -73.9 146.4 -38.7 -8.7 -33.6 71 75 A D S S+ 0 0 87 -2,-0.2 2,-0.1 -3,-0.1 3,-0.1 -0.650 70.1 81.6 -79.8 123.3 -35.3 -7.5 -32.3 72 76 A G S > S- 0 0 10 -2,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.394 73.1-118.3 148.0 140.0 -35.4 -5.9 -28.9 73 77 A E G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 73,-0.2 0.805 110.5 69.4 -60.5 -31.7 -35.5 -6.3 -25.1 74 78 A Q G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.665 98.8 50.8 -62.5 -17.4 -38.9 -4.6 -25.2 75 79 A Y G < S+ 0 0 91 -3,-1.6 2,-2.7 1,-0.1 -1,-0.3 0.391 74.5 104.5-101.4 0.2 -40.3 -7.7 -26.9 76 80 A K < + 0 0 7 -3,-1.8 70,-3.1 -4,-0.2 76,-0.2 -0.412 63.8 126.2 -78.0 64.5 -38.9 -10.3 -24.4 77 81 A T B > S-g 146 0B 43 -2,-2.7 4,-1.4 68,-0.2 3,-0.1 -0.636 79.8-103.4-120.7 176.5 -42.5 -10.6 -23.1 78 82 A L H > S+ 0 0 20 68,-0.6 4,-1.9 1,-0.2 5,-0.1 0.803 119.2 57.8 -70.6 -28.1 -45.1 -13.2 -22.4 79 83 A E H > S+ 0 0 126 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.868 105.4 48.1 -72.7 -33.5 -47.0 -12.2 -25.5 80 84 A T H > S+ 0 0 16 -5,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.795 108.9 55.4 -71.1 -31.6 -43.9 -12.9 -27.7 81 85 A F H X S+ 0 0 1 -4,-1.4 4,-1.8 1,-0.2 3,-0.4 0.909 105.5 52.3 -62.7 -40.5 -43.7 -16.2 -25.9 82 86 A N H X S+ 0 0 25 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.835 102.5 59.3 -65.7 -32.7 -47.3 -16.7 -27.0 83 87 A T H X S+ 0 0 64 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.837 104.7 49.4 -65.3 -34.3 -46.3 -16.0 -30.6 84 88 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.4 -2,-0.2 0.897 110.1 50.7 -71.3 -39.0 -43.8 -18.9 -30.5 85 89 A M H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.931 111.2 49.4 -62.3 -42.2 -46.6 -21.2 -29.1 86 90 A S H X S+ 0 0 31 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.896 110.3 50.1 -63.5 -40.9 -48.8 -20.0 -31.9 87 91 A F H X S+ 0 0 19 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.943 112.3 46.6 -63.0 -48.5 -46.2 -20.7 -34.5 88 92 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 3,-0.6 0.898 113.6 49.0 -61.4 -41.7 -45.5 -24.2 -33.2 89 93 A L H ><5S+ 0 0 12 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.868 104.1 57.2 -68.2 -37.3 -49.2 -25.0 -33.0 90 94 A E H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.657 108.2 49.7 -70.2 -15.7 -50.0 -23.8 -36.6 91 95 A H T <<5S- 0 0 73 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.325 110.4-127.2 -98.4 3.0 -47.4 -26.3 -37.8 92 96 A N T < 5 - 0 0 146 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.876 41.0-176.7 53.2 43.0 -49.0 -29.1 -35.7 93 97 A Y < - 0 0 14 -5,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.523 11.7-149.3 -77.4 139.2 -45.7 -29.9 -34.1 94 98 A S > - 0 0 59 -2,-0.2 3,-1.6 1,-0.0 -1,-0.1 -0.238 39.3 -85.1 -91.0-176.9 -45.5 -32.8 -31.7 95 99 A R T 3 S+ 0 0 167 1,-0.3 28,-0.4 -2,-0.1 -2,-0.1 0.578 122.8 70.0 -65.8 -12.5 -43.2 -33.3 -28.6 96 100 A D T 3 S+ 0 0 121 26,-0.1 -1,-0.3 2,-0.1 -60,-0.1 0.523 73.8 113.7 -84.7 -4.7 -40.6 -34.7 -31.0 97 101 A V < - 0 0 0 -3,-1.6 26,-0.7 -62,-0.1 2,-0.5 -0.274 59.9-141.4 -64.7 151.3 -40.0 -31.2 -32.6 98 102 A V E -de 37 123A 4 -62,-2.1 -60,-2.7 24,-0.1 2,-0.5 -0.982 9.4-154.0-117.1 127.2 -36.6 -29.6 -32.0 99 103 A V E -de 38 124A 1 24,-2.9 26,-2.4 -2,-0.5 2,-0.6 -0.891 3.7-158.2-101.9 125.2 -36.4 -25.9 -31.4 100 104 A I E -de 39 125A 0 -62,-3.2 -60,-2.8 -2,-0.5 2,-0.9 -0.912 5.2-152.9-103.2 120.6 -33.2 -24.0 -32.3 101 105 A A E -de 40 126A 2 24,-3.0 26,-3.0 -2,-0.6 2,-0.6 -0.837 18.6-179.4 -93.4 105.6 -32.6 -20.7 -30.5 102 106 A L E + e 0 127A 0 -62,-2.2 -60,-0.3 -2,-0.9 2,-0.3 -0.913 44.1 43.7-110.7 107.2 -30.4 -18.7 -32.9 103 107 A G E S- e 0 128A 1 24,-1.5 26,-2.6 -2,-0.6 27,-0.5 -0.989 87.8 -44.4 158.9-160.5 -29.5 -15.2 -31.5 104 108 A G S > S- 0 0 13 -2,-0.3 4,-2.5 24,-0.2 5,-0.1 0.047 77.0 -66.9 -86.0-161.0 -28.4 -13.3 -28.5 105 109 A G H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.793 129.1 60.5 -62.8 -32.2 -29.5 -13.6 -24.8 106 110 A V H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.952 112.4 37.6 -62.0 -49.0 -33.0 -12.2 -25.6 107 111 A I H >>S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.6 0.903 114.7 57.2 -67.1 -41.6 -33.7 -15.1 -28.0 108 112 A G H X5S+ 0 0 8 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.923 113.0 38.1 -55.9 -49.2 -31.9 -17.5 -25.8 109 113 A D H X5S+ 0 0 24 -4,-2.7 4,-2.2 2,-0.2 35,-0.4 0.918 121.3 42.9 -69.0 -46.6 -34.1 -16.8 -22.8 110 114 A L H X5S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.944 118.5 41.3 -69.8 -48.9 -37.4 -16.4 -24.6 111 115 A V H X5S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.867 113.6 56.6 -67.9 -34.5 -37.1 -19.3 -27.0 112 116 A G H X< S+ 0 0 2 -4,-1.5 400,-2.8 -3,-0.3 3,-2.3 0.708 84.2 106.0-100.3 -23.5 -43.4 -25.0 -21.9 118 122 A Y B >< S-H 516 0C 0 -4,-2.3 3,-2.2 1,-0.3 398,-0.2 -0.468 114.2 -16.7 -63.4 118.7 -44.6 -26.2 -25.4 119 123 A Q T 3 S- 0 0 39 396,-3.8 -1,-0.3 -2,-0.4 397,-0.2 0.839 126.6 -63.9 48.1 36.5 -46.3 -29.5 -24.6 120 124 A R T < S- 0 0 43 -3,-2.3 399,-0.4 395,-0.3 -1,-0.3 0.619 117.8 -8.1 65.9 18.9 -44.5 -29.3 -21.3 121 125 A G < - 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0 0 55 -17,-2.5 -17,-0.1 -2,-0.8 -42,-0.1 -0.983 29.3-146.0-139.0 123.9 -34.6 -25.7 -18.6 159 163 A Q - 0 0 31 -2,-0.4 -35,-0.3 -19,-0.1 2,-0.1 -0.623 16.8-127.4 -89.7 143.2 -31.4 -27.3 -19.9 160 164 A P - 0 0 8 0, 0.0 -35,-0.2 0, 0.0 3,-0.1 -0.460 12.5-128.6 -83.3 162.6 -30.7 -27.5 -23.7 161 165 A K S S- 0 0 130 -37,-2.2 2,-0.3 1,-0.3 -36,-0.2 0.789 89.6 -6.8 -76.1 -30.7 -29.7 -30.7 -25.4 162 166 A A E - f 0 125A 8 -38,-0.7 -36,-2.4 -148,-0.2 2,-0.4 -0.988 57.9-143.2-160.6 156.4 -26.7 -29.0 -26.9 163 167 A V E -bf 16 126A 1 -148,-2.1 -146,-2.7 -2,-0.3 2,-0.5 -0.999 15.0-165.6-127.3 129.3 -25.0 -25.6 -27.2 164 168 A V E -b 17 0A 4 -38,-2.6 2,-0.6 -2,-0.4 -146,-0.2 -0.964 4.6-175.5-120.5 118.6 -23.2 -24.6 -30.4 165 169 A I E -b 18 0A 0 -148,-3.1 -146,-2.2 -2,-0.5 2,-0.9 -0.901 4.4-174.5-117.3 101.9 -20.9 -21.6 -30.4 166 170 A D E > -b 19 0A 6 -2,-0.6 3,-2.0 -38,-0.3 4,-0.2 -0.855 12.3-158.3 -94.2 104.6 -19.4 -20.6 -33.8 167 171 A T G > S+ 0 0 3 -148,-1.5 3,-1.3 -2,-0.9 4,-0.2 0.649 84.1 75.3 -56.9 -21.2 -16.9 -17.8 -32.9 168 172 A D G > S+ 0 0 64 -149,-0.4 3,-2.1 1,-0.2 4,-0.3 0.812 81.0 70.7 -60.4 -30.3 -17.1 -16.6 -36.6 169 173 A C G X S+ 0 0 1 -3,-2.0 3,-1.0 1,-0.3 4,-0.3 0.736 83.5 69.9 -64.3 -17.6 -20.5 -15.1 -35.8 170 174 A L G X S+ 0 0 3 -3,-1.3 3,-0.9 1,-0.2 -1,-0.3 0.715 80.0 78.5 -69.8 -18.3 -18.8 -12.4 -33.7 171 175 A T G < S+ 0 0 99 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 98.9 39.8 -58.8 -34.1 -17.4 -10.9 -36.9 172 176 A T G < S+ 0 0 67 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.480 89.1 112.4 -94.4 -4.4 -20.8 -9.3 -37.6 173 177 A L S < S- 0 0 27 -3,-0.9 5,-0.1 -4,-0.3 -43,-0.0 -0.558 79.0-105.8 -72.5 127.1 -21.5 -8.3 -34.0 174 178 A P > - 0 0 81 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.204 27.9-115.4 -51.4 142.3 -21.5 -4.5 -33.5 175 179 A A H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.856 114.8 54.1 -47.5 -44.4 -18.3 -3.2 -31.7 176 180 A R H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 108.4 47.5 -60.0 -44.9 -20.5 -2.0 -28.7 177 181 A E H > S+ 0 0 74 -3,-0.5 4,-1.8 2,-0.2 -45,-0.3 0.843 110.2 53.6 -64.7 -37.3 -22.1 -5.4 -28.2 178 182 A F H X S+ 0 0 9 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.950 110.6 45.7 -62.4 -49.2 -18.8 -7.2 -28.4 179 183 A A H X S+ 0 0 8 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.906 108.1 56.2 -62.1 -42.2 -17.3 -5.0 -25.7 180 184 A A H X S+ 0 0 3 -4,-2.2 4,-0.7 1,-0.3 -1,-0.2 0.891 106.1 53.0 -56.5 -39.2 -20.4 -5.4 -23.5 181 185 A G H >X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-1.0 0.885 103.9 56.2 -61.6 -42.3 -19.8 -9.1 -23.8 182 186 A M H 3X S+ 0 0 2 -4,-1.7 4,-3.0 1,-0.3 5,-0.3 0.791 93.1 67.7 -61.0 -32.5 -16.2 -8.5 -22.6 183 187 A A H 3X S+ 0 0 4 -4,-1.6 4,-1.1 -3,-0.2 -1,-0.3 0.878 106.1 42.8 -56.6 -33.5 -17.4 -6.8 -19.4 184 188 A E H S+ 0 0 2 -4,-1.6 4,-2.2 -3,-0.4 5,-1.4 0.883 108.4 49.3 -55.0 -41.3 -15.1 -14.1 -14.3 189 193 A G H <5S+ 0 0 0 -4,-1.0 8,-0.3 -3,-0.3 4,-0.3 0.927 112.4 47.2 -63.8 -45.9 -11.4 -13.2 -13.9 190 194 A I H <5S+ 0 0 0 -4,-2.2 148,-2.7 1,-0.2 149,-0.5 0.941 122.4 31.1 -62.8 -48.4 -12.1 -10.6 -11.2 191 195 A I H <5S+ 0 0 3 -4,-2.4 149,-0.3 147,-0.2 -2,-0.2 0.802 135.3 9.7 -88.9 -28.8 -14.4 -12.7 -9.0 192 196 A Y T <5S+ 0 0 47 -4,-2.2 2,-0.4 -5,-0.3 -3,-0.2 0.698 116.3 42.7-123.8 -27.8 -13.3 -16.3 -9.5 193 197 A D >< - 0 0 24 -5,-1.4 4,-1.2 -4,-0.3 -1,-0.2 -0.891 39.7-176.5-140.5 113.5 -10.0 -16.8 -11.3 194 198 A S H > S+ 0 0 59 -2,-0.4 4,-2.1 144,-0.2 5,-0.2 0.891 89.3 53.6 -66.1 -46.2 -6.7 -14.9 -11.0 195 199 A A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 108.7 49.7 -58.3 -42.6 -4.9 -16.8 -13.8 196 200 A F H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.816 107.3 54.7 -68.5 -31.5 -7.6 -16.1 -16.3 197 201 A F H X S+ 0 0 0 -4,-1.2 4,-2.2 -8,-0.3 -2,-0.2 0.949 109.8 46.7 -65.3 -48.1 -7.6 -12.4 -15.4 198 202 A D H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.904 112.2 51.2 -57.2 -45.4 -3.8 -12.3 -16.1 199 203 A W H X S+ 0 0 57 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.897 107.8 52.1 -61.1 -42.5 -4.5 -14.2 -19.4 200 204 A L H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.896 108.1 52.0 -61.6 -40.8 -7.2 -11.6 -20.3 201 205 A E H < S+ 0 0 61 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.915 113.3 44.5 -60.1 -44.4 -4.7 -8.8 -19.7 202 206 A A H < S+ 0 0 73 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.917 123.4 32.9 -67.6 -43.3 -2.1 -10.4 -22.0 203 207 A Q H X S+ 0 0 75 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.265 79.7 110.0-102.3 11.7 -4.5 -11.4 -24.8 204 208 A M H X S+ 0 0 1 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.889 82.2 50.1 -53.7 -41.2 -7.1 -8.6 -24.8 205 209 A E H > S+ 0 0 159 -3,-0.3 4,-1.3 -4,-0.3 -1,-0.2 0.856 108.8 51.1 -68.1 -35.8 -5.8 -7.2 -28.1 206 210 A A H 4>S+ 0 0 25 -3,-0.4 5,-2.2 2,-0.2 3,-0.4 0.931 108.3 53.5 -65.7 -44.0 -5.9 -10.6 -29.8 207 211 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.925 109.3 47.6 -55.8 -48.0 -9.5 -11.0 -28.6 208 212 A Y H 3<5S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.748 106.5 56.9 -67.6 -21.5 -10.4 -7.6 -30.2 209 213 A A T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.357 118.0-118.9 -86.2 4.8 -8.6 -8.7 -33.4 210 214 A L T < 5 - 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