==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JAN-10 3LLS . COMPND 2 MOLECULE: 3-KETOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 806 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 56 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 2 0 1 5 6 1 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 5 7 4 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 . 5 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 0 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 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 29 A P 0 0 166 0, 0.0 118,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.6 46.7 45.4 43.4 2 30 A Q - 0 0 86 1,-0.1 2,-0.2 772,-0.0 118,-0.2 -0.479 360.0 -90.3 -93.0 159.0 46.6 44.5 47.1 3 31 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 770,-0.1 -0.535 36.7-127.1 -68.9 138.8 43.6 44.8 49.4 4 32 A E - 0 0 63 768,-0.2 2,-0.6 -2,-0.2 117,-0.1 -0.501 29.1-107.5 -70.0 149.2 43.0 48.0 51.3 5 33 A T - 0 0 128 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.771 46.2-121.2 -78.0 118.9 42.6 47.7 55.1 6 34 A L - 0 0 9 -2,-0.6 2,-0.3 1,-0.1 115,-0.1 -0.500 14.8-125.3 -73.6 125.9 38.9 48.3 55.3 7 35 A R - 0 0 57 -2,-0.3 2,-0.3 146,-0.1 146,-0.1 -0.561 35.8-170.4 -60.9 126.3 37.8 51.2 57.4 8 36 A R - 0 0 65 -2,-0.3 143,-0.2 1,-0.1 142,-0.1 -0.780 30.8 -72.3-120.4 166.9 35.3 50.0 60.0 9 37 A Y + 0 0 45 141,-0.4 2,-0.3 -2,-0.3 -1,-0.1 -0.327 45.9 172.7 -64.3 134.7 33.1 51.7 62.5 10 38 A R > - 0 0 51 4,-0.1 3,-1.3 3,-0.1 140,-0.1 -0.979 40.2-103.0-137.4 133.9 34.6 53.3 65.5 11 39 A A T 3 S+ 0 0 77 -2,-0.3 163,-0.0 1,-0.2 0, 0.0 -0.278 101.3 12.9 -58.6 138.5 32.4 55.4 67.9 12 40 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 162,-0.0 162,-0.0 0.185 95.5 122.6 85.5 -16.4 32.8 59.2 67.6 13 41 A E S < S- 0 0 107 -3,-1.3 -1,-0.3 1,-0.1 -3,-0.1 -0.406 75.0 -94.1 -77.9 148.5 34.7 59.0 64.3 14 42 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.368 31.7-125.5 -61.0 149.4 33.3 60.9 61.2 15 43 A P S S+ 0 0 33 0, 0.0 135,-0.4 0, 0.0 2,-0.3 0.884 95.7 30.2 -70.5 -39.3 31.2 58.6 59.0 16 44 A L S S- 0 0 15 2,-0.2 4,-0.1 133,-0.1 67,-0.1 -0.883 71.8-141.6-108.9 152.3 33.2 59.3 55.9 17 45 A T S S+ 0 0 87 -2,-0.3 2,-0.2 64,-0.3 31,-0.1 0.588 87.6 28.7 -84.2 -13.2 36.9 60.2 55.9 18 46 A G S S- 0 0 16 1,-0.2 23,-0.4 63,-0.1 31,-0.2 -0.640 100.0 -62.0-131.4-164.8 36.3 62.7 53.1 19 47 A S E -a 49 0A 4 29,-2.3 31,-2.6 -2,-0.2 32,-2.0 -0.279 41.7-124.5 -84.0 163.5 33.6 64.9 51.7 20 48 A L E -ab 51 42A 0 21,-3.0 23,-2.4 30,-0.2 2,-0.6 -0.953 16.5-164.9-114.3 121.8 30.3 64.0 50.3 21 49 A L E -ab 52 43A 20 30,-2.6 32,-3.3 -2,-0.5 2,-0.6 -0.945 6.7-172.7-102.0 118.4 29.3 65.0 46.9 22 50 A I E +a 53 0A 7 -2,-0.6 32,-0.2 21,-0.5 2,-0.2 -0.964 21.1 148.8-111.8 115.3 25.5 64.6 46.2 23 51 A G E +a 54 0A 9 30,-3.5 32,-3.1 -2,-0.6 2,-0.2 -0.663 13.5 84.7-128.7-169.3 24.5 65.1 42.6 24 52 A G E -a 55 0A 30 30,-0.3 2,-0.3 -2,-0.2 32,-0.2 -0.528 67.1 -89.3 103.4-170.7 21.9 64.1 40.0 25 53 A A S S+ 0 0 68 30,-1.7 33,-2.2 -2,-0.2 2,-0.3 -0.990 72.3 65.6-145.7 134.6 18.4 65.3 39.4 26 54 A G S S- 0 0 39 -2,-0.3 4,-0.4 31,-0.2 3,-0.1 -0.943 91.7 -46.0 141.1-159.3 15.2 64.0 40.9 27 55 A R S S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 28,-0.0 0.443 119.2 54.1 -98.3 2.8 13.4 63.7 44.2 28 56 A V S > S+ 0 0 1 60,-0.1 4,-2.7 2,-0.1 5,-0.3 0.788 87.8 73.4-106.9 -30.4 16.1 62.5 46.5 29 57 A V H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.894 97.4 47.2 -57.8 -47.0 18.9 65.0 46.1 30 58 A E H > S+ 0 0 154 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.971 117.8 38.6 -64.9 -54.3 17.3 67.9 48.0 31 59 A P H > S+ 0 0 18 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.889 113.4 56.4 -64.9 -35.3 16.2 66.0 51.1 32 60 A L H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.936 110.2 45.0 -65.2 -42.1 19.3 63.9 51.1 33 61 A R H X S+ 0 0 106 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.929 113.7 50.0 -57.3 -50.3 21.4 67.0 51.3 34 62 A A H < S+ 0 0 71 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.948 114.3 45.4 -52.8 -49.7 19.1 68.5 53.9 35 63 A A H < S+ 0 0 35 -4,-3.5 4,-0.3 1,-0.2 -1,-0.2 0.784 120.5 36.0 -68.4 -32.4 19.4 65.3 55.9 36 64 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.566 86.2 97.7-101.8 -11.4 23.2 64.8 55.7 37 65 A E T < S+ 0 0 134 -4,-1.9 5,-0.3 1,-0.2 -1,-0.1 0.781 87.4 43.2 -50.3 -37.7 24.4 68.4 55.8 38 66 A K T 4 S+ 0 0 95 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.938 120.8 35.6 -82.1 -46.9 25.2 68.4 59.6 39 67 A D T 4 S+ 0 0 84 -4,-0.3 2,-0.3 2,-0.0 -2,-0.2 0.593 119.0 51.6 -82.1 -17.1 26.9 64.9 60.0 40 68 A Y S < S- 0 0 17 -4,-2.2 2,-1.1 -25,-0.1 -21,-0.1 -0.865 84.1-116.9-122.5 157.0 28.7 64.9 56.6 41 69 A D - 0 0 102 -23,-0.4 -21,-3.0 -2,-0.3 2,-0.3 -0.767 37.6-159.7 -96.9 91.9 31.0 67.4 54.8 42 70 A L E +b 20 0A 46 -2,-1.1 2,-0.3 -5,-0.3 -21,-0.2 -0.586 13.6 179.2 -80.5 134.3 28.9 68.3 51.8 43 71 A V E +b 21 0A 56 -23,-2.4 -21,-0.5 -2,-0.3 2,-0.3 -0.906 6.7 168.2-133.7 159.1 30.7 69.7 48.8 44 72 A G 0 0 64 -2,-0.3 -21,-0.0 1,-0.2 -23,-0.0 -0.963 360.0 360.0-160.3 172.2 29.8 70.9 45.4 45 73 A N 0 0 221 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.949 360.0 360.0 -88.0 360.0 31.1 72.7 42.4 46 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 47 81 A D 0 0 122 0, 0.0 2,-0.1 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 168.8 40.0 67.0 49.9 48 82 A S - 0 0 49 -31,-0.1 -29,-2.3 1,-0.1 2,-0.6 -0.471 360.0-105.8 -78.5 156.4 39.0 63.6 48.6 49 83 A F E -ac 19 79A 29 29,-3.4 31,-3.6 -31,-0.2 -29,-0.2 -0.761 27.3-174.1 -84.7 120.1 35.4 62.5 48.2 50 84 A G E S+ 0 0 1 -31,-2.6 34,-2.4 -2,-0.6 2,-0.3 0.788 76.9 17.3 -76.0 -34.5 34.4 60.0 50.9 51 85 A G E -ac 20 84A 0 -32,-2.0 -30,-2.6 32,-0.2 2,-0.5 -1.000 57.7-165.6-140.0 144.2 31.0 59.6 49.2 52 86 A L E -ac 21 85A 0 32,-2.5 34,-2.6 -2,-0.3 2,-0.5 -0.994 15.3-175.1-124.0 120.1 29.5 60.2 45.8 53 87 A V E -ac 22 86A 1 -32,-3.3 -30,-3.5 -2,-0.5 2,-0.5 -0.982 4.1-167.0-120.4 129.2 25.8 60.0 45.7 54 88 A F E -ac 23 87A 10 32,-2.5 34,-2.6 -2,-0.5 2,-0.8 -0.969 15.5-143.6-118.9 118.6 23.9 60.4 42.4 55 89 A D E +ac 24 88A 1 -32,-3.1 -30,-1.7 -2,-0.5 3,-0.2 -0.752 27.3 167.0 -77.1 110.2 20.1 60.9 42.3 56 90 A A > + 0 0 0 32,-3.0 3,-1.7 -2,-0.8 34,-0.2 0.276 49.5 100.1-100.6 3.6 19.1 58.9 39.2 57 91 A T T 3 S+ 0 0 7 31,-0.6 -31,-0.2 1,-0.3 -1,-0.1 0.779 75.8 59.3 -67.6 -25.2 15.4 59.1 40.1 58 92 A G T 3 S+ 0 0 39 -33,-2.2 2,-0.7 -3,-0.2 -1,-0.3 0.506 79.5 101.5 -77.9 -5.9 14.8 61.9 37.7 59 93 A I < + 0 0 15 -3,-1.7 31,-0.2 -34,-0.3 45,-0.1 -0.719 42.1 166.4 -80.4 115.4 16.1 59.7 34.8 60 94 A T + 0 0 68 -2,-0.7 -1,-0.2 1,-0.1 41,-0.1 0.324 58.2 35.8-118.3 5.9 12.9 58.7 33.1 61 95 A E S > S- 0 0 95 39,-0.1 3,-1.3 1,-0.1 4,-0.4 -0.980 85.0-108.0-152.2 156.5 14.1 57.3 29.8 62 96 A P G > S+ 0 0 6 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.859 114.7 66.9 -54.9 -34.9 17.2 55.4 28.7 63 97 A A G > S+ 0 0 49 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.861 94.4 58.4 -50.0 -40.9 18.5 58.5 27.0 64 98 A G G X S+ 0 0 29 -3,-1.3 3,-2.7 1,-0.3 4,-0.3 0.602 75.9 91.8 -70.9 -10.7 18.9 60.1 30.4 65 99 A L G X> + 0 0 0 -3,-2.3 3,-2.2 -4,-0.4 4,-0.7 0.804 67.2 82.3 -55.0 -24.5 21.3 57.4 31.6 66 100 A K H <> S+ 0 0 23 -3,-1.4 4,-2.4 -4,-0.3 3,-0.4 0.790 75.0 73.1 -42.6 -35.9 23.9 59.8 30.2 67 101 A G H <> S+ 0 0 15 -3,-2.7 4,-2.5 1,-0.2 -1,-0.3 0.832 89.0 58.7 -52.5 -37.0 23.6 61.6 33.6 68 102 A L H <> S+ 0 0 0 -3,-2.2 4,-2.6 -4,-0.3 5,-0.3 0.944 109.6 42.6 -58.5 -47.2 25.5 58.7 35.2 69 103 A H H X S+ 0 0 6 -4,-0.7 4,-2.1 -3,-0.4 -2,-0.2 0.934 113.3 51.7 -65.8 -50.2 28.5 59.2 33.0 70 104 A E H < S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.9 41.7 -55.5 -38.4 28.4 63.0 33.3 71 105 A F H < S+ 0 0 31 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.966 121.5 36.1 -75.6 -49.2 28.3 62.9 37.0 72 106 A F H >X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 3,-1.1 0.884 102.6 65.6 -78.6 -39.6 30.8 60.1 37.8 73 107 A T T 3< S+ 0 0 24 -4,-2.1 4,-0.4 -5,-0.3 -1,-0.2 0.887 104.3 44.1 -59.1 -45.5 33.5 60.4 35.2 74 108 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.698 121.9 38.1 -75.8 -13.8 34.9 63.7 36.3 75 109 A V T X4 S+ 0 0 22 -3,-1.1 3,-2.5 -4,-0.5 -26,-0.2 0.671 89.0 85.3-106.7 -19.4 34.8 62.9 40.1 76 110 A L G >< S+ 0 0 20 -4,-2.3 3,-1.5 1,-0.3 -3,-0.1 0.803 84.1 62.1 -56.8 -32.4 35.8 59.2 40.3 77 111 A R G 3 S+ 0 0 97 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.589 103.2 52.1 -69.2 -10.0 39.5 60.1 40.4 78 112 A N G < S+ 0 0 63 -3,-2.5 -29,-3.4 -30,-0.1 -1,-0.3 0.214 78.2 125.9-110.9 16.5 38.9 62.1 43.6 79 113 A L E < -c 49 0A 16 -3,-1.5 -29,-0.2 -31,-0.2 3,-0.1 -0.551 53.5-133.6 -79.9 139.6 37.2 59.3 45.5 80 114 A G E > - 0 0 4 -31,-3.6 3,-1.5 -2,-0.2 39,-0.1 -0.095 35.1 -57.9 -88.5-177.9 38.9 58.5 48.8 81 115 A R E 3 S- 0 0 29 1,-0.3 -64,-0.3 40,-0.1 -1,-0.2 -0.398 125.1 -2.7 -56.6 128.6 40.0 55.5 50.8 82 116 A C E 3 S+ 0 0 14 38,-3.0 -1,-0.3 37,-0.2 40,-0.2 0.882 97.3 177.8 52.6 43.1 37.0 53.2 51.3 83 117 A G E < - 0 0 0 -3,-1.5 40,-2.1 36,-0.3 2,-0.4 -0.159 23.0-127.3 -71.9 171.0 34.8 55.7 49.6 84 118 A R E -cd 51 123A 6 -34,-2.4 -32,-2.5 38,-0.2 2,-0.5 -0.993 17.0-168.4-127.7 125.7 31.2 55.1 49.0 85 119 A V E +cd 52 124A 1 38,-2.6 40,-1.7 -2,-0.4 2,-0.4 -0.981 13.8 176.5-109.4 126.4 29.4 55.4 45.7 86 120 A V E -cd 53 125A 1 -34,-2.6 -32,-2.5 -2,-0.5 2,-0.5 -0.993 15.4-167.1-131.2 126.9 25.6 55.3 45.9 87 121 A V E -cd 54 126A 0 38,-2.4 40,-2.8 -2,-0.4 2,-0.5 -0.952 13.0-156.4-105.1 128.4 23.1 55.7 43.1 88 122 A V E +cd 55 127A 0 -34,-2.6 -32,-3.0 -2,-0.5 -31,-0.6 -0.944 22.1 166.4-104.6 130.7 19.6 56.2 44.2 89 123 A G E - d 0 128A 0 38,-3.1 40,-2.4 -2,-0.5 2,-0.4 -0.605 37.7 -89.8-129.2-175.4 16.9 55.3 41.8 90 124 A G E - d 0 129A 1 38,-0.2 40,-0.2 -34,-0.2 5,-0.1 -0.847 51.9 -94.8-101.6 135.8 13.1 54.7 41.6 91 125 A T > - 0 0 19 38,-1.5 3,-0.7 -2,-0.4 4,-0.1 -0.280 38.7-145.1 -47.0 120.2 11.7 51.2 42.2 92 126 A P G > S+ 0 0 2 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.925 94.7 56.6 -64.3 -46.9 11.5 50.0 38.6 93 127 A E G 3 S+ 0 0 122 1,-0.3 -2,-0.1 8,-0.1 8,-0.1 0.767 110.3 49.1 -52.4 -27.7 8.4 48.0 39.0 94 128 A A G < S+ 0 0 45 -3,-0.7 -1,-0.3 7,-0.1 -3,-0.1 0.355 82.6 134.5 -96.6 6.1 6.7 51.2 40.2 95 129 A A < - 0 0 24 -3,-2.4 3,-0.1 1,-0.1 -35,-0.0 -0.119 62.3-128.9 -58.9 156.2 7.9 53.4 37.4 96 130 A A S S+ 0 0 98 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.584 90.9 19.6 -78.9 -13.6 5.4 55.8 35.8 97 131 A S S > S- 0 0 50 1,-0.1 4,-2.6 -37,-0.0 5,-0.1 -0.985 75.7-116.4-153.0 160.6 6.4 54.5 32.4 98 132 A T H > S+ 0 0 57 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.863 117.8 58.3 -65.4 -34.4 8.1 51.6 30.7 99 133 A N H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 108.9 43.0 -58.3 -48.2 10.8 54.0 29.7 100 134 A E H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 111.7 54.3 -67.6 -41.5 11.5 55.0 33.3 101 135 A R H X S+ 0 0 54 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.928 110.0 48.2 -56.1 -44.4 11.3 51.3 34.4 102 136 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 638,-0.2 0.917 113.7 44.7 -65.3 -46.1 13.9 50.4 31.8 103 137 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.940 115.8 47.3 -65.3 -43.7 16.3 53.2 32.7 104 138 A Q H < S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 4,-0.2 0.875 113.0 49.0 -69.2 -34.7 15.9 52.6 36.4 105 139 A R H >< S+ 0 0 36 -4,-2.8 3,-1.4 -5,-0.2 4,-0.3 0.867 103.8 60.9 -65.3 -40.7 16.4 48.9 36.0 106 140 A A H >X S+ 0 0 0 -4,-2.3 3,-1.2 1,-0.3 4,-1.2 0.734 85.0 81.0 -60.7 -24.2 19.5 49.5 33.9 107 141 A L H 3X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.4 -1,-0.3 0.807 80.7 64.0 -50.8 -31.2 21.2 51.2 36.9 108 142 A E H <> S+ 0 0 29 -3,-1.4 4,-2.1 1,-0.3 -1,-0.2 0.819 97.7 53.3 -73.9 -30.1 22.2 48.0 38.4 109 143 A G H <> S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.3 616,-0.3 0.885 110.9 50.7 -61.7 -39.0 24.5 47.1 35.6 110 144 A F H X S+ 0 0 0 -4,-1.2 4,-2.7 622,-0.2 5,-0.2 0.961 113.3 41.5 -64.7 -52.9 26.1 50.5 36.1 111 145 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.879 114.9 49.2 -69.4 -38.9 26.6 50.1 39.9 112 146 A R H X S+ 0 0 13 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.869 114.7 46.8 -68.6 -31.9 27.8 46.6 39.8 113 147 A S H >< S+ 0 0 0 -4,-1.6 3,-1.1 -5,-0.2 4,-0.4 0.913 111.4 49.7 -72.8 -44.2 30.2 47.4 37.0 114 148 A L H >X S+ 0 0 1 -4,-2.7 3,-1.8 1,-0.3 4,-1.5 0.874 102.1 64.2 -64.3 -36.2 31.5 50.5 38.8 115 149 A G H 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.817 101.3 50.5 -49.9 -35.0 31.9 48.4 41.9 116 150 A K T << S+ 0 0 35 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.492 110.3 50.8 -87.7 -4.2 34.6 46.4 40.0 117 151 A E T <4 S+ 0 0 14 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.644 86.2 105.1 -98.6 -23.8 36.4 49.6 38.9 118 152 A L < - 0 0 27 -4,-1.5 2,-0.2 4,-0.1 3,-0.2 -0.195 56.1-147.2 -69.6 156.2 36.7 51.2 42.3 119 153 A R > + 0 0 166 1,-0.2 3,-2.0 -39,-0.1 -36,-0.3 -0.690 61.3 23.2-118.4 162.6 40.0 51.3 44.2 120 154 A R T 3 S- 0 0 129 1,-0.3 -38,-3.0 -2,-0.2 -37,-0.2 0.831 129.3 -49.2 54.3 44.3 41.3 51.3 47.7 121 155 A G T 3 S+ 0 0 10 1,-0.2 -1,-0.3 650,-0.2 2,-0.1 0.567 93.1 152.0 77.3 7.7 38.3 49.6 49.3 122 156 A A < - 0 0 2 -3,-2.0 2,-0.3 -40,-0.2 -1,-0.2 -0.453 25.8-160.9 -69.9 147.5 35.7 51.9 47.8 123 157 A T E -d 84 0A 5 -40,-2.1 -38,-2.6 -2,-0.1 2,-0.3 -0.812 10.4-142.9-124.8 163.1 32.3 50.3 47.3 124 158 A T E -d 85 0A 1 -2,-0.3 33,-2.7 -40,-0.2 34,-0.6 -0.919 15.3-177.4-119.5 158.2 29.1 51.0 45.2 125 159 A A E -de 86 158A 5 -40,-1.7 -38,-2.4 -2,-0.3 2,-0.5 -0.978 17.0-147.9-147.1 150.1 25.5 50.5 46.1 126 160 A L E -de 87 159A 0 32,-2.5 34,-3.2 -2,-0.3 2,-0.5 -0.982 17.0-170.4-113.8 129.4 22.3 51.0 44.3 127 161 A V E -de 88 160A 0 -40,-2.8 -38,-3.1 -2,-0.5 2,-0.4 -0.976 4.8-160.7-124.8 120.6 19.3 52.1 46.4 128 162 A Y E -de 89 161A 12 32,-3.6 34,-3.4 -2,-0.5 2,-0.4 -0.839 6.7-163.5 -98.3 141.8 15.8 52.1 45.0 129 163 A L E -de 90 162A 1 -40,-2.4 -38,-1.5 -2,-0.4 34,-0.2 -0.968 27.5-104.9-124.4 136.1 13.2 54.2 46.6 130 164 A S > - 0 0 15 32,-2.4 3,-1.4 33,-0.4 33,-0.0 -0.230 20.7-133.5 -52.7 138.6 9.4 53.9 46.2 131 165 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 32,-0.1 0.620 106.8 64.9 -67.1 -11.1 7.9 56.6 44.0 132 166 A D T 3 S+ 0 0 126 2,-0.0 -2,-0.1 3,-0.0 32,-0.1 0.400 74.3 117.9 -91.8 -1.8 5.3 56.8 46.7 133 167 A A S < S- 0 0 16 -3,-1.4 32,-0.1 29,-0.1 31,-0.1 -0.436 74.5-108.0 -56.7 143.2 7.8 58.0 49.3 134 168 A K > - 0 0 121 30,-0.6 3,-2.5 1,-0.1 5,-0.1 -0.320 34.6 -99.9 -69.1 158.8 7.0 61.5 50.6 135 169 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.846 122.0 61.0 -53.9 -38.6 9.3 64.3 49.4 136 170 A A T 3 S- 0 0 61 1,-0.1 -101,-0.1 -105,-0.1 -3,-0.0 0.739 89.8-154.6 -61.2 -20.8 11.3 64.3 52.6 137 171 A A X + 0 0 11 -3,-2.5 3,-1.6 1,-0.1 4,-0.4 0.829 33.0 158.9 52.3 36.3 12.3 60.7 51.8 138 172 A T G > + 0 0 42 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.814 63.7 67.6 -62.3 -25.8 12.9 60.0 55.5 139 173 A G G 3 S+ 0 0 2 1,-0.3 4,-0.3 26,-0.2 656,-0.3 0.731 97.8 55.2 -65.5 -21.4 12.4 56.2 54.9 140 174 A L G <> S+ 0 0 2 -3,-1.6 4,-2.1 1,-0.2 3,-0.3 0.600 84.2 85.9 -82.8 -15.5 15.7 56.3 52.9 141 175 A E H <> S+ 0 0 30 -3,-1.5 4,-2.6 -4,-0.4 5,-0.2 0.886 84.4 50.9 -67.6 -39.8 17.9 57.8 55.6 142 176 A S H > S+ 0 0 5 650,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.880 111.3 50.6 -65.2 -34.5 19.0 54.7 57.5 143 177 A T H > S+ 0 0 0 -4,-0.3 4,-3.0 -3,-0.3 5,-0.2 0.952 112.0 46.3 -67.0 -46.8 20.0 53.1 54.3 144 178 A M H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.890 113.2 48.3 -64.6 -38.9 22.1 56.0 53.2 145 179 A R H < S+ 0 0 30 -4,-2.6 6,-0.2 2,-0.2 -1,-0.2 0.880 112.1 49.7 -74.2 -34.3 23.7 56.4 56.6 146 180 A F H < S+ 0 0 9 -4,-2.3 6,-0.8 -5,-0.2 3,-0.5 0.956 116.7 42.0 -60.2 -48.8 24.5 52.7 56.7 147 181 A L H < S+ 0 0 4 -4,-3.0 2,-1.9 1,-0.3 -2,-0.2 0.945 110.8 57.2 -64.9 -45.5 26.0 52.9 53.2 148 182 A L S < S+ 0 0 0 -4,-3.3 2,-0.3 -5,-0.2 -1,-0.3 -0.392 102.9 64.5 -88.1 61.7 27.8 56.2 53.9 149 183 A S S > S- 0 0 9 -2,-1.9 3,-1.0 -3,-0.5 -133,-0.1 -0.968 96.2 -98.0-167.0 167.8 29.7 55.0 56.8 150 184 A A G > S+ 0 0 7 -135,-0.4 3,-1.3 -2,-0.3 -141,-0.4 0.626 108.5 82.2 -69.6 -11.2 32.4 52.5 57.7 151 185 A K G 3 S+ 0 0 29 1,-0.3 3,-0.4 -6,-0.2 -1,-0.2 0.842 86.8 52.4 -64.6 -34.1 29.6 50.2 58.8 152 186 A S G X S+ 0 0 0 -3,-1.0 3,-2.5 -6,-0.8 -1,-0.3 0.052 72.3 135.3 -88.8 27.6 29.0 49.0 55.3 153 187 A A T < S+ 0 0 1 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.747 77.2 30.7 -53.4 -35.9 32.7 48.1 54.8 154 188 A Y T 3 S+ 0 0 0 -3,-0.4 651,-2.3 626,-0.1 2,-0.6 0.101 94.3 100.8-114.1 16.5 32.0 44.8 53.2 155 189 A V < + 0 0 3 -3,-2.5 2,-0.4 648,-0.2 648,-0.1 -0.939 50.9 160.3-100.4 120.7 28.7 45.5 51.5 156 190 A D + 0 0 0 -2,-0.6 650,-0.4 646,-0.2 648,-0.2 -0.994 52.2 1.3-149.9 131.8 29.6 46.2 47.8 157 191 A G S S+ 0 0 0 -33,-2.7 -32,-0.2 -2,-0.4 -45,-0.1 0.581 89.7 140.0 70.6 13.6 27.7 46.2 44.5 158 192 A Q E -e 125 0A 8 -34,-0.6 -32,-2.5 644,-0.1 2,-0.5 -0.317 49.1-126.7 -92.1 169.8 24.4 45.4 46.2 159 193 A V E -e 126 0A 31 641,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.970 19.1-164.5-121.3 128.2 20.9 46.6 45.6 160 194 A F E -e 127 0A 0 -34,-3.2 -32,-3.6 -2,-0.5 2,-0.5 -0.906 5.1-154.4-113.3 144.2 18.7 48.1 48.3 161 195 A S E -e 128 0A 42 -2,-0.4 636,-0.5 -34,-0.2 2,-0.4 -0.939 9.0-171.8-126.2 112.0 14.9 48.6 48.1 162 196 A V E -eF 129 796A 1 -34,-3.4 -32,-2.4 -2,-0.5 634,-0.2 -0.853 13.0-145.8-107.7 132.7 13.3 51.2 50.2 163 197 A G - 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