==== 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 30-NOV-06 2O2S . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR S.P.MUENCH,S.T.PRIGGE,R.MCLEOD,J.B.RAFFERTY,M.J.KIRISITS,C.W . 605 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 2 0 0 0 0 3 5 5 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 4 A P 0 0 109 0, 0.0 2,-0.2 0, 0.0 307,-0.0 0.000 360.0 360.0 360.0 -89.6 -16.4 43.0 9.4 2 5 A I - 0 0 11 271,-0.0 2,-0.5 305,-0.0 305,-0.1 -0.820 360.0-173.3-135.0 131.3 -16.0 42.7 13.1 3 6 A D + 0 0 72 -2,-0.2 29,-0.1 1,-0.1 28,-0.1 -0.946 23.4 172.0-132.5 110.9 -14.8 39.3 14.0 4 7 A L > + 0 0 0 27,-2.7 3,-1.9 -2,-0.5 30,-0.2 0.162 33.8 135.8-109.7 14.7 -14.4 37.9 17.5 5 8 A R T 3 S+ 0 0 183 26,-0.3 28,-0.2 1,-0.3 3,-0.1 -0.435 72.0 29.1 -62.5 134.7 -13.5 34.3 16.6 6 9 A G T 3 S+ 0 0 81 26,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.255 102.7 108.5 96.4 -9.9 -10.6 33.1 18.8 7 10 A Q < - 0 0 41 -3,-1.9 27,-2.4 25,-0.3 2,-0.4 -0.728 53.6-152.9-108.2 149.6 -11.7 35.4 21.6 8 11 A T E -a 34 0A 6 -2,-0.3 111,-2.7 25,-0.2 112,-2.3 -0.948 9.8-168.1-124.5 142.5 -13.3 34.6 24.9 9 12 A A E -ab 35 120A 0 25,-3.0 27,-2.7 -2,-0.4 2,-0.5 -0.962 14.6-154.0-130.1 146.2 -15.6 36.7 27.0 10 13 A F E -ab 36 121A 1 110,-2.4 112,-2.6 -2,-0.4 2,-0.7 -0.979 13.3-165.2-117.4 115.7 -16.9 36.6 30.6 11 14 A V E -ab 37 122A 0 25,-2.4 27,-2.6 -2,-0.5 2,-0.5 -0.890 9.0-155.6-104.2 112.8 -20.2 38.4 31.0 12 15 A A E +ab 38 123A 0 110,-2.5 112,-2.7 -2,-0.7 27,-0.1 -0.760 66.8 38.1 -96.3 122.6 -21.1 39.0 34.7 13 16 A G + 0 0 27 25,-2.0 2,-0.4 -2,-0.5 8,-0.3 0.822 68.7 142.3 108.3 54.9 -24.6 39.4 35.8 14 17 A V + 0 0 4 24,-3.0 -1,-0.2 -3,-0.2 3,-0.1 -0.954 5.2 134.2-129.6 110.9 -26.8 37.1 33.7 15 18 A A S S+ 0 0 26 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.495 71.5 20.1-125.6 -16.8 -29.7 35.3 35.3 16 19 A D S S- 0 0 26 34,-0.0 3,-0.3 40,-0.0 -1,-0.1 -0.787 74.3-108.9-143.4-177.8 -32.5 35.7 32.7 17 20 A S S S+ 0 0 10 -2,-0.2 6,-0.1 1,-0.1 -3,-0.0 0.353 106.2 70.5 -96.8 3.0 -33.1 36.6 29.0 18 21 A H S S+ 0 0 90 4,-0.1 -1,-0.1 242,-0.0 2,-0.1 0.463 79.1 96.4 -99.8 -4.8 -34.5 40.0 29.8 19 22 A G S > S- 0 0 14 -3,-0.3 4,-1.8 207,-0.1 5,-0.1 -0.398 80.6-121.5 -87.9 159.1 -31.3 41.7 30.9 20 23 A Y H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.815 115.6 62.9 -62.5 -30.6 -28.9 43.9 29.1 21 24 A G H > S+ 0 0 1 -8,-0.3 4,-2.5 103,-0.2 -1,-0.2 0.909 101.7 49.5 -59.6 -41.9 -26.3 41.2 30.1 22 25 A W H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.984 109.9 49.3 -59.2 -55.5 -28.2 38.7 28.0 23 26 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.3 -1,-0.2 0.822 111.9 49.4 -57.6 -34.7 -28.4 40.9 24.9 24 27 A I H >X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 3,-0.8 0.935 111.0 49.0 -70.5 -47.0 -24.6 41.7 25.2 25 28 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.921 108.4 54.4 -56.8 -42.6 -23.8 38.0 25.5 26 29 A K H 3X S+ 0 0 42 -4,-3.0 4,-1.3 1,-0.2 -1,-0.3 0.757 110.9 46.7 -64.4 -25.0 -26.0 37.3 22.5 27 30 A H H << S+ 0 0 30 -4,-0.9 4,-0.5 -3,-0.8 -1,-0.2 0.759 107.8 53.0 -90.3 -31.3 -24.1 39.8 20.4 28 31 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.8 0.931 112.7 47.5 -65.1 -44.1 -20.6 38.7 21.5 29 32 A A H ><5S+ 0 0 15 -4,-2.4 3,-2.7 1,-0.3 -2,-0.2 0.903 105.6 56.0 -62.5 -47.1 -21.6 35.1 20.4 30 33 A S T 3<5S+ 0 0 39 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.646 106.7 52.4 -63.9 -14.9 -23.1 36.2 17.0 31 34 A A T < 5S- 0 0 7 -3,-0.8 -27,-2.7 -4,-0.5 -26,-0.3 0.284 130.1-100.7 -96.4 6.1 -19.7 37.8 16.3 32 35 A G T < 5S+ 0 0 32 -3,-2.7 -26,-0.5 1,-0.2 -25,-0.3 0.693 71.7 145.7 85.6 22.9 -18.1 34.4 17.2 33 36 A A < - 0 0 14 -5,-2.3 2,-0.5 -28,-0.2 -1,-0.2 -0.435 53.7-117.4 -75.0 158.7 -16.8 34.9 20.7 34 37 A R E -a 8 0A 113 -27,-2.4 -25,-3.0 -30,-0.2 2,-0.6 -0.912 36.4-155.6 -88.3 128.9 -16.8 32.1 23.3 35 38 A V E +a 9 0A 2 -2,-0.5 36,-2.2 34,-0.4 2,-0.4 -0.918 17.9 179.7-118.9 111.7 -19.2 33.4 26.0 36 39 A A E -a 10 0A 1 -27,-2.7 -25,-2.4 -2,-0.6 2,-0.3 -0.838 22.2-140.9 -99.8 145.6 -19.0 32.2 29.6 37 40 A L E -ac 11 73A 0 35,-2.2 37,-3.1 -2,-0.4 2,-0.5 -0.760 10.3-144.1-114.7 154.5 -21.5 33.7 32.1 38 41 A G E -ac 12 74A 1 -27,-2.6 -24,-3.0 -2,-0.3 -25,-2.0 -0.962 23.6-178.0-114.3 127.2 -21.7 35.0 35.6 39 42 A T E - c 0 75A 0 35,-2.7 37,-2.4 -2,-0.5 5,-0.1 -0.986 33.3-112.8-134.6 130.5 -24.8 34.3 37.6 40 43 A W >> - 0 0 112 -2,-0.4 3,-2.1 35,-0.2 4,-0.6 -0.345 33.4-129.1 -59.3 124.7 -25.8 35.3 41.1 41 44 A P H >> S+ 0 0 4 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.866 100.6 65.9 -55.6 -43.3 -26.1 32.0 43.0 42 45 A P H 34 S+ 0 0 18 0, 0.0 4,-0.2 0, 0.0 -2,-0.1 0.697 115.7 30.7 -43.9 -28.9 -29.6 32.5 44.5 43 46 A V H <> S+ 0 0 39 -3,-2.1 4,-2.2 2,-0.1 5,-0.1 0.324 90.8 99.0-115.6 5.3 -31.0 32.4 41.0 44 47 A L H S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 115.6 50.3 -63.6 -33.7 -33.9 28.6 38.1 47 50 A F H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.966 109.3 49.6 -66.2 -54.4 -31.6 30.1 35.3 48 51 A Q H X S+ 0 0 100 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.901 112.5 48.9 -48.0 -48.5 -30.0 26.7 34.5 49 52 A K H X S+ 0 0 148 -4,-2.4 4,-2.9 1,-0.2 6,-0.3 0.871 106.1 57.0 -62.4 -38.6 -33.4 25.1 34.3 50 53 A S H X>S+ 0 0 29 -4,-1.7 4,-1.3 -5,-0.2 6,-1.1 0.902 114.5 37.6 -60.8 -42.9 -34.7 27.8 32.0 51 54 A L H <5S+ 0 0 30 -4,-1.9 -2,-0.2 2,-0.2 5,-0.2 0.973 116.7 51.5 -66.1 -57.9 -32.0 27.2 29.4 52 55 A Q H <5S+ 0 0 160 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.829 109.0 51.4 -54.3 -38.8 -32.0 23.4 29.9 53 56 A S H <5S- 0 0 65 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.959 110.7-115.4 -61.2 -50.8 -35.9 23.2 29.4 54 57 A G T ><5S+ 0 0 30 -4,-1.3 3,-0.9 -5,-0.2 4,-0.3 0.334 78.9 125.8 118.7 4.6 -36.0 25.1 26.2 55 58 A R T 3 S+ 0 0 13 -6,-1.1 4,-1.8 -5,-0.2 -1,-0.2 0.475 77.9 105.7 -97.6 -2.9 -35.3 30.5 26.4 57 60 A D H <> S+ 0 0 59 -3,-0.9 4,-0.6 1,-0.3 -1,-0.2 0.780 80.8 53.1 -53.3 -32.5 -34.7 29.1 22.9 58 61 A E H >4 S+ 0 0 164 -3,-0.3 3,-1.5 -4,-0.3 -1,-0.3 0.988 113.3 42.5 -58.4 -58.4 -36.7 32.0 21.4 59 62 A D H 34 S+ 0 0 59 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.699 112.2 59.3 -61.7 -19.3 -34.4 34.5 23.2 60 63 A R H 3< S+ 0 0 31 -4,-1.8 8,-2.4 7,-0.1 2,-0.4 0.563 74.0 113.2 -88.9 -9.6 -31.4 32.2 22.3 61 64 A K B << -G 67 0B 74 -3,-1.5 6,-0.2 -4,-0.6 5,-0.1 -0.516 50.5-159.2 -76.4 123.1 -31.7 32.4 18.5 62 65 A L > - 0 0 18 4,-1.9 3,-1.4 -2,-0.4 -35,-0.1 -0.334 37.4 -91.1 -86.0 173.9 -28.7 34.3 16.8 63 66 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.911 121.8 61.4 -54.4 -46.7 -28.9 35.8 13.3 64 67 A D T 3 S- 0 0 126 1,-0.1 3,-0.1 -34,-0.1 -3,-0.0 0.285 118.7-106.7 -67.2 12.8 -27.5 32.7 11.5 65 68 A G S < S+ 0 0 49 -3,-1.4 -1,-0.1 1,-0.2 -4,-0.0 0.230 87.3 111.2 80.8 -15.4 -30.6 30.7 12.8 66 69 A S - 0 0 54 -5,-0.1 -4,-1.9 1,-0.1 2,-0.4 0.022 68.9-104.4 -79.6-169.2 -28.5 28.8 15.4 67 70 A L B -G 61 0B 69 -6,-0.2 -6,-0.2 -3,-0.1 -7,-0.1 -0.981 26.1-112.3-127.8 128.4 -28.7 29.0 19.2 68 71 A I - 0 0 5 -8,-2.4 2,-0.4 -2,-0.4 -42,-0.1 -0.325 34.5-168.7 -52.8 126.9 -26.2 30.8 21.5 69 72 A E - 0 0 156 -40,-0.0 -34,-0.4 3,-0.0 2,-0.3 -0.976 14.6-133.0-114.2 143.2 -24.5 28.1 23.7 70 73 A F - 0 0 39 -2,-0.4 2,-0.9 -36,-0.1 -34,-0.2 -0.672 6.0-136.3 -96.7 150.0 -22.5 29.2 26.7 71 74 A A S S- 0 0 27 -36,-2.2 -35,-0.1 1,-0.3 -1,-0.0 -0.521 82.4 -28.4 -99.6 61.4 -19.0 28.0 27.5 72 75 A G - 0 0 32 -2,-0.9 -35,-2.2 -36,-0.1 2,-0.5 0.227 56.8-132.4 101.3 135.6 -19.7 27.6 31.2 73 76 A V E -c 37 0A 36 -37,-0.2 -35,-0.2 -3,-0.1 -1,-0.1 -0.965 28.1-159.2-124.7 109.5 -22.1 29.2 33.6 74 77 A Y E -c 38 0A 19 -37,-3.1 -35,-2.7 -2,-0.5 2,-0.3 -0.719 19.0-123.7 -98.3 133.2 -20.3 30.2 36.7 75 78 A P E +c 39 0A 22 0, 0.0 2,-0.3 0, 0.0 -35,-0.2 -0.627 42.1 178.3 -68.7 134.1 -21.9 31.0 40.1 76 79 A L - 0 0 8 -37,-2.4 2,-0.5 -2,-0.3 27,-0.2 -0.974 27.8-175.1-146.1 122.1 -20.8 34.5 41.0 77 80 A D > - 0 0 10 25,-3.1 3,-1.5 -2,-0.3 27,-0.4 -0.932 8.0-168.4-114.6 107.9 -21.5 36.8 43.9 78 81 A A T 3 S+ 0 0 12 -2,-0.5 78,-0.1 1,-0.3 79,-0.1 0.398 79.7 75.1 -75.1 2.5 -19.8 40.1 43.1 79 82 A A T 3 S+ 0 0 29 1,-0.1 2,-0.4 73,-0.0 -1,-0.3 0.543 96.1 58.3 -83.3 -10.9 -20.4 41.3 46.7 80 83 A F < - 0 0 26 -3,-1.5 24,-2.0 22,-0.2 -3,-0.2 -0.958 52.9-178.2-126.6 137.7 -17.5 39.0 47.8 81 84 A D S S+ 0 0 36 -2,-0.4 24,-2.9 1,-0.3 25,-0.4 0.854 75.5 16.9 -97.7 -44.0 -13.9 38.9 46.7 82 85 A K S > S- 0 0 77 22,-0.2 3,-1.7 23,-0.1 -1,-0.3 -0.895 77.8-109.9-131.3 155.1 -12.6 35.9 48.6 83 86 A P T 3 S+ 0 0 56 0, 0.0 3,-0.4 0, 0.0 18,-0.0 0.611 116.5 62.6 -60.9 -15.9 -14.2 32.9 50.5 84 87 A E T 3 S+ 0 0 123 1,-0.2 -4,-0.0 3,-0.0 0, 0.0 0.724 95.6 61.2 -77.0 -24.5 -13.1 34.5 53.8 85 88 A D S < S+ 0 0 73 -3,-1.7 -1,-0.2 2,-0.1 0, 0.0 0.557 82.6 96.2 -77.6 -7.5 -15.3 37.4 53.1 86 89 A V S S- 0 0 11 -3,-0.4 2,-0.1 -4,-0.3 -6,-0.0 -0.740 71.1-139.3 -89.2 125.8 -18.5 35.3 53.0 87 90 A P >> - 0 0 49 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.337 21.0-106.4 -85.9 168.7 -20.3 35.3 56.3 88 91 A Q H 3> S+ 0 0 107 1,-0.3 4,-2.9 2,-0.2 -2,-0.0 0.864 115.4 60.4 -60.6 -43.3 -21.9 32.4 58.1 89 92 A D H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.897 111.8 41.2 -52.1 -39.7 -25.5 33.4 57.4 90 93 A I H X4 S+ 0 0 25 -3,-0.7 3,-2.0 2,-0.2 6,-0.2 0.906 110.2 55.6 -78.7 -42.0 -24.7 33.1 53.6 91 94 A K H 3< S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.948 119.4 35.3 -48.3 -50.1 -22.6 29.9 53.9 92 95 A D T 3< S+ 0 0 117 -4,-2.9 2,-0.5 -5,-0.1 -1,-0.3 -0.190 91.2 126.8 -97.6 34.8 -25.7 28.4 55.6 93 96 A N X - 0 0 59 -3,-2.0 3,-1.3 1,-0.1 -3,-0.1 -0.854 60.1-139.2 -96.5 135.6 -28.2 30.3 53.5 94 97 A K G > S+ 0 0 198 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.789 102.0 59.0 -66.7 -29.7 -30.8 28.0 51.8 95 98 A R G 3 S+ 0 0 152 1,-0.2 -1,-0.3 3,-0.0 -5,-0.1 0.747 107.6 48.3 -67.1 -24.7 -30.6 30.0 48.5 96 99 A Y G < S+ 0 0 24 -3,-1.3 2,-0.4 -6,-0.2 -1,-0.2 0.114 80.6 128.2-103.4 16.3 -26.9 29.2 48.3 97 100 A A S < S+ 0 0 78 -3,-1.2 3,-0.1 1,-0.2 -5,-0.1 -0.627 75.6 15.1 -79.9 129.8 -27.1 25.5 49.0 98 101 A G S S+ 0 0 84 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 -0.197 101.5 105.9 102.0 -39.7 -25.3 23.3 46.4 99 102 A V + 0 0 34 -3,-0.2 2,-0.3 -58,-0.0 -1,-0.3 -0.553 44.5 175.7 -82.7 138.3 -23.3 26.2 45.0 100 103 A D + 0 0 125 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.903 50.8 26.4-135.3 159.3 -19.6 26.5 45.7 101 104 A G + 0 0 2 -2,-0.3 -1,-0.2 1,-0.1 9,-0.1 0.921 66.2 140.1 55.2 60.1 -16.6 28.8 44.7 102 105 A Y + 0 0 21 -3,-0.1 -25,-3.1 -26,-0.1 -22,-0.2 0.254 28.5 110.3-116.9 7.4 -18.5 31.9 43.7 103 106 A T S > S- 0 0 0 -27,-0.2 4,-2.0 1,-0.1 -22,-0.2 -0.461 81.5-107.5 -80.1 164.0 -16.3 34.8 45.1 104 107 A I H > S+ 0 0 0 -24,-2.0 4,-2.4 -27,-0.4 5,-0.2 0.930 116.8 51.2 -61.9 -48.7 -14.6 36.9 42.5 105 108 A K H > S+ 0 0 85 -24,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.898 114.0 45.8 -52.1 -46.4 -11.0 35.5 43.1 106 109 A E H > S+ 0 0 49 -25,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.811 111.1 49.7 -69.6 -39.4 -12.3 31.9 42.7 107 110 A V H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.898 109.9 51.9 -66.9 -42.9 -14.4 32.5 39.6 108 111 A A H X S+ 0 0 6 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.852 110.3 50.4 -61.0 -36.8 -11.5 34.2 37.9 109 112 A V H X S+ 0 0 74 -4,-1.5 4,-3.4 -5,-0.2 -2,-0.2 0.976 111.7 44.7 -66.4 -54.9 -9.3 31.2 38.8 110 113 A K H X S+ 0 0 55 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.812 112.5 53.4 -58.2 -34.3 -11.8 28.6 37.4 111 114 A V H X>S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-1.1 0.902 111.9 44.7 -66.0 -42.2 -12.3 30.7 34.3 112 115 A K H X5S+ 0 0 95 -4,-1.9 4,-1.7 3,-0.2 -2,-0.2 0.975 118.7 44.6 -60.8 -55.3 -8.5 30.8 33.9 113 116 A Q H <5S+ 0 0 140 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.932 121.0 36.1 -47.2 -60.1 -8.4 27.0 34.6 114 117 A D H <5S+ 0 0 94 -4,-3.5 -1,-0.2 -5,-0.2 -3,-0.2 0.754 139.4 9.6 -76.3 -28.3 -11.3 26.0 32.4 115 118 A L H <5S- 0 0 43 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.582 91.5-134.0-128.1 -25.5 -10.8 28.5 29.5 116 119 A G << - 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