==== 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 TRANSFERASE 11-FEB-09 3G87 . COMPND 2 MOLECULE: MALONYL COA-ACYL CARRIER PROTEIN TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 2 1 0 1 3 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 98 0, 0.0 2,-0.6 0, 0.0 266,-0.1 0.000 360.0 360.0 360.0 -95.4 52.4 47.0 18.5 2 5 A M + 0 0 138 264,-0.2 2,-0.2 262,-0.1 264,-0.2 -0.516 360.0 46.5 73.6-108.0 50.8 46.0 21.9 3 6 A L E S-a 266 0A 5 262,-2.0 264,-2.2 -2,-0.6 2,-0.5 -0.550 85.0-146.2 -65.9 134.5 47.4 44.3 21.1 4 7 A N E -a 267 0A 7 77,-0.2 79,-3.6 -2,-0.2 80,-1.4 -0.925 14.1-163.8-116.2 125.5 48.0 41.7 18.3 5 8 A T E -ab 268 84A 0 262,-2.5 264,-3.2 -2,-0.5 2,-0.4 -0.911 8.8-152.9-102.2 117.9 45.6 40.7 15.6 6 9 A F E -ab 269 85A 0 78,-2.0 80,-1.7 -2,-0.6 2,-0.3 -0.799 19.3-171.0 -87.3 130.8 46.3 37.5 13.6 7 10 A M E -ab 270 86A 1 262,-2.6 264,-3.3 -2,-0.4 80,-0.2 -0.973 11.0-154.1-130.9 138.4 44.9 37.7 10.1 8 11 A F E - b 0 87A 0 78,-1.4 80,-2.1 -2,-0.3 83,-0.2 -0.957 16.0-129.0-121.9 126.5 44.5 35.1 7.4 9 12 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 58,-0.1 -0.210 20.8-160.7 -72.9 158.7 44.4 35.6 3.7 10 13 A G > - 0 0 6 1,-0.2 3,-1.8 80,-0.1 4,-0.2 -0.378 44.7 -15.7-116.1-159.4 41.8 34.3 1.2 11 14 A Q T 3 S+ 0 0 67 77,-0.3 -1,-0.2 1,-0.2 43,-0.1 -0.130 120.0 34.0 -52.6 132.0 41.3 33.6 -2.5 12 15 A G T 3 S+ 0 0 54 -3,-0.1 -1,-0.2 175,-0.0 42,-0.0 0.133 98.0 81.8 105.0 -18.9 43.8 35.3 -4.7 13 16 A S < + 0 0 10 -3,-1.8 -2,-0.1 261,-0.1 263,-0.1 0.547 66.5 103.8 -94.0 -9.3 46.7 35.1 -2.4 14 17 A Q + 0 0 43 -4,-0.2 2,-0.3 39,-0.1 45,-0.0 -0.328 42.9 170.0 -73.9 157.0 47.7 31.5 -3.3 15 18 A A > - 0 0 39 30,-0.1 3,-2.1 259,-0.0 2,-0.1 -0.946 44.8 -88.4-164.4 145.1 50.7 30.8 -5.5 16 19 A K T 3 S+ 0 0 127 -2,-0.3 30,-0.2 1,-0.3 29,-0.1 -0.389 116.0 39.4 -58.9 129.9 52.6 27.7 -6.5 17 20 A G T 3 S+ 0 0 40 28,-3.5 -1,-0.3 1,-0.4 29,-0.2 0.122 81.8 141.0 113.2 -13.6 55.4 27.2 -3.9 18 21 A M < + 0 0 1 -3,-2.1 2,-1.3 27,-0.7 -1,-0.4 -0.224 65.6 20.3 -59.6 147.0 53.2 28.2 -0.9 19 22 A G S > S+ 0 0 17 -3,-0.1 3,-1.3 47,-0.1 2,-0.2 -0.540 81.9 170.0 89.7 -69.7 53.7 26.3 2.2 20 23 A G T > + 0 0 24 -2,-1.3 3,-1.0 1,-0.2 4,-0.3 -0.427 67.4 1.0 70.2-123.0 57.1 25.0 1.4 21 24 A A T >> S+ 0 0 76 1,-0.2 4,-2.0 -2,-0.2 3,-0.6 0.646 114.1 83.9 -81.4 -13.8 59.0 23.2 4.1 22 25 A L H <> S+ 0 0 31 -3,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.770 81.7 64.7 -52.5 -31.9 56.1 23.7 6.5 23 26 A F H <4 S+ 0 0 1 -3,-1.0 7,-0.3 2,-0.2 -1,-0.2 0.894 108.3 36.3 -64.1 -44.5 54.5 20.6 5.1 24 27 A D H X4 S+ 0 0 109 -3,-0.6 3,-1.3 -4,-0.3 -2,-0.2 0.814 112.2 60.1 -75.8 -35.4 57.2 18.3 6.3 25 28 A R H 3< S+ 0 0 112 -4,-2.0 2,-0.2 1,-0.3 3,-0.2 0.913 115.8 35.8 -54.9 -40.9 57.7 20.2 9.5 26 29 A F T 3X S+ 0 0 24 -4,-1.9 4,-2.9 1,-0.2 -1,-0.3 -0.365 79.6 154.8-107.5 50.3 54.0 19.4 10.3 27 30 A A H <> S+ 0 0 51 -3,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.791 70.6 49.0 -54.8 -37.4 54.2 16.0 8.7 28 31 A D H > S+ 0 0 128 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.917 111.2 47.5 -70.4 -45.2 51.3 14.7 10.8 29 32 A L H > S+ 0 0 36 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.963 112.4 53.3 -56.7 -47.2 48.9 17.6 10.1 30 33 A T H X S+ 0 0 13 -4,-2.9 4,-2.7 -7,-0.3 11,-0.3 0.911 108.8 46.5 -54.8 -47.1 49.9 17.1 6.4 31 34 A A H X S+ 0 0 56 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.868 110.6 54.3 -64.7 -36.7 49.0 13.4 6.5 32 35 A Q H X S+ 0 0 63 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.869 109.5 48.0 -60.0 -38.3 45.8 14.3 8.2 33 36 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.930 109.2 51.5 -73.0 -44.3 45.0 16.8 5.4 34 37 A D H X S+ 0 0 47 -4,-2.7 4,-2.8 1,-0.2 5,-0.5 0.888 110.1 51.1 -57.4 -38.0 45.8 14.2 2.6 35 38 A A H < S+ 0 0 87 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 112.3 45.2 -70.7 -27.4 43.5 11.7 4.2 36 39 A V H < S+ 0 0 47 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.897 122.9 35.8 -77.3 -37.8 40.6 14.2 4.5 37 40 A L H < S- 0 0 30 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.764 97.3-131.0 -91.7 -30.5 41.1 15.5 0.9 38 41 A G S < S+ 0 0 68 -4,-2.8 2,-0.3 1,-0.3 -3,-0.1 0.663 79.6 67.8 81.0 18.9 42.1 12.3 -0.9 39 42 A Y S S- 0 0 60 -5,-0.5 2,-0.6 -6,-0.2 -1,-0.3 -0.961 96.5 -78.5-155.1 171.5 45.1 13.9 -2.6 40 43 A S > - 0 0 53 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.640 30.2-167.2 -80.9 119.3 48.5 15.3 -1.6 41 44 A I H > S+ 0 0 0 -2,-0.6 4,-2.1 -11,-0.3 -1,-0.2 0.832 89.5 53.7 -69.6 -31.3 48.1 18.8 -0.2 42 45 A R H >>S+ 0 0 78 2,-0.2 4,-3.1 1,-0.2 5,-0.6 0.905 108.0 48.6 -72.8 -42.1 51.9 19.4 -0.5 43 46 A A H >>S+ 0 0 27 2,-0.2 5,-2.7 1,-0.2 4,-1.1 0.937 111.2 50.1 -60.8 -47.6 52.0 18.4 -4.2 44 47 A L H <5S+ 0 0 6 -4,-1.8 9,-0.2 3,-0.2 -2,-0.2 0.914 120.4 37.1 -59.4 -42.8 49.0 20.8 -4.9 45 48 A C H <5S+ 0 0 0 -4,-2.1 -28,-3.5 -5,-0.1 -27,-0.7 0.899 126.5 29.3 -75.3 -48.1 50.8 23.6 -3.1 46 49 A V H <5S+ 0 0 29 -4,-3.1 -3,-0.2 -30,-0.2 -2,-0.1 0.935 138.1 17.3 -85.2 -47.5 54.5 23.3 -3.8 47 50 A D T < < + 0 0 11 -5,-2.7 3,-1.7 -6,-0.2 -4,-0.2 0.856 11.9 178.4 38.4 58.7 50.9 22.3 -8.6 49 52 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.765 73.8 40.6 -61.5 -33.7 51.2 19.9 -11.6 50 53 A R T 3 S- 0 0 159 -6,-0.0 -2,-0.1 0, 0.0 -6,-0.0 0.116 110.9-114.3-100.8 18.5 47.7 20.2 -13.0 51 54 A D < + 0 0 123 -3,-1.7 3,-0.1 -4,-0.1 -3,-0.1 0.933 68.6 144.2 48.9 56.4 47.6 23.9 -12.5 52 55 A E > + 0 0 17 -8,-0.2 3,-2.1 1,-0.1 7,-0.4 0.611 35.5 92.7-101.6 -20.5 44.8 23.5 -10.0 53 56 A L T 3 S+ 0 0 7 1,-0.3 -1,-0.1 -9,-0.2 -39,-0.1 0.773 85.5 53.1 -53.2 -34.0 45.5 26.2 -7.4 54 57 A G T 3 S+ 0 0 41 -3,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.494 85.9 91.3 -82.1 -4.8 43.3 28.7 -9.2 55 58 A R S X> S- 0 0 131 -3,-2.1 3,-2.6 1,-0.1 4,-2.3 -0.843 81.7-129.6 -95.2 124.6 40.1 26.5 -9.3 56 59 A T H 3> S+ 0 0 15 -2,-0.6 4,-1.4 1,-0.3 -1,-0.1 0.714 102.6 63.3 -54.1 -26.9 38.1 27.2 -6.1 57 60 A Q H 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.1 59,-0.2 0.823 119.6 27.7 -71.4 -20.4 37.6 23.6 -5.0 58 61 A F H <> S+ 0 0 35 -3,-2.6 4,-2.2 -6,-0.3 -2,-0.2 0.784 112.8 63.2-104.3 -41.3 41.4 23.4 -4.7 59 62 A T H X S+ 0 0 3 -4,-2.3 4,-2.5 -7,-0.4 -3,-0.2 0.868 102.2 53.7 -46.1 -42.8 42.4 27.0 -3.8 60 63 A Q H X S+ 0 0 3 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.921 109.3 42.5 -70.9 -48.8 40.4 26.8 -0.6 61 64 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.867 114.5 55.4 -62.9 -36.4 41.9 23.8 1.0 62 65 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.923 110.3 43.6 -58.6 -53.3 45.3 25.0 -0.1 63 66 A L H X S+ 0 0 0 -4,-2.5 4,-3.9 -5,-0.2 5,-0.3 0.947 113.2 52.1 -55.4 -51.2 44.8 28.4 1.6 64 67 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.888 112.9 42.3 -56.3 -48.3 43.4 26.8 4.7 65 68 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.925 117.6 46.4 -72.0 -42.2 46.3 24.4 5.3 66 69 A V H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.953 113.3 48.9 -63.5 -45.5 49.0 26.9 4.4 67 70 A N H X S+ 0 0 0 -4,-3.9 4,-2.5 -5,-0.2 -2,-0.2 0.945 114.0 47.8 -57.6 -48.4 47.4 29.5 6.6 68 71 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.918 111.7 46.9 -57.4 -49.0 47.1 27.0 9.4 69 72 A L H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.947 112.5 50.1 -64.2 -44.5 50.7 25.7 9.2 70 73 A T H X S+ 0 0 32 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.917 110.6 51.7 -55.1 -45.5 52.1 29.2 9.1 71 74 A Y H X S+ 0 0 31 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.936 111.1 46.1 -59.1 -49.9 49.9 30.0 12.1 72 75 A Y H X S+ 0 0 52 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.918 112.5 51.0 -58.9 -42.0 51.4 26.9 14.0 73 76 A A H X S+ 0 0 12 -4,-3.4 4,-2.4 1,-0.2 5,-0.4 0.960 111.1 48.9 -57.8 -51.1 54.9 27.9 13.0 74 77 A K H X>S+ 0 0 59 -4,-2.9 4,-2.1 -5,-0.2 5,-0.6 0.916 110.3 50.7 -54.5 -46.0 54.3 31.4 14.2 75 78 A C H X5S+ 0 0 38 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.938 114.8 41.9 -61.2 -46.3 52.9 30.2 17.5 76 79 A E H <5S+ 0 0 121 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 121.8 37.3 -65.9 -42.2 55.8 27.9 18.3 77 80 A D H <5S+ 0 0 110 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.909 125.9 32.5 -85.1 -41.9 58.6 30.1 17.2 78 81 A S H <5S- 0 0 49 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.751 88.4-140.4 -87.9 -28.4 57.5 33.5 18.2 79 82 A G << + 0 0 60 -4,-1.2 -4,-0.1 -5,-0.6 -3,-0.1 0.379 51.8 142.7 77.6 -3.0 55.6 32.6 21.3 80 83 A E - 0 0 68 -6,-0.5 -1,-0.2 1,-0.0 -2,-0.1 -0.379 36.1-159.0 -78.7 149.0 52.9 35.1 20.5 81 84 A T - 0 0 103 -3,-0.1 -77,-0.2 -2,-0.1 2,-0.1 -0.969 23.1-115.8-122.8 142.2 49.2 34.8 21.1 82 85 A P - 0 0 8 0, 0.0 -77,-0.2 0, 0.0 3,-0.1 -0.444 14.4-165.3 -76.4 147.6 46.6 36.8 19.3 83 86 A D S S+ 0 0 65 -79,-3.6 2,-0.3 1,-0.3 -78,-0.2 0.536 83.2 20.3 -96.6 -15.5 44.3 39.2 21.1 84 87 A F E -b 5 0A 7 -80,-1.4 -78,-2.0 134,-0.1 2,-0.4 -0.993 68.1-153.8-155.9 145.4 42.0 39.3 18.0 85 88 A L E +bc 6 220A 0 134,-2.3 136,-3.3 -2,-0.3 2,-0.3 -0.981 16.5 163.3-130.4 139.0 41.4 37.2 15.0 86 89 A A E -bc 7 221A 1 -80,-1.7 -78,-1.4 -2,-0.4 2,-0.3 -0.979 9.6-172.3-149.4 142.5 40.1 38.0 11.5 87 90 A G E -b 8 0A 0 134,-0.5 2,-1.0 -2,-0.3 5,-0.3 -0.995 27.6-118.6-137.7 148.8 40.1 36.1 8.2 88 91 A H > - 0 0 17 -80,-2.1 3,-1.7 -2,-0.3 2,-0.8 -0.699 68.7 -66.5 -95.5 100.2 39.1 37.0 4.6 89 92 A S T > S+ 0 0 14 -2,-1.0 3,-1.5 1,-0.3 4,-0.5 -0.450 141.6 24.8 59.1 -98.2 36.3 34.8 3.4 90 93 A L T >> S+ 0 0 1 -2,-0.8 3,-2.0 1,-0.2 4,-0.5 0.931 119.4 64.1 -49.6 -50.7 38.3 31.5 3.4 91 94 A G H <> S+ 0 0 0 -3,-1.7 4,-1.2 1,-0.3 -1,-0.2 0.634 84.2 74.2 -49.6 -19.5 40.6 33.0 6.0 92 95 A E H <> S+ 0 0 0 -3,-1.5 4,-2.6 -5,-0.3 -1,-0.3 0.849 88.8 60.7 -64.9 -32.9 37.8 33.2 8.5 93 96 A F H <> S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.5 -1,-0.2 0.885 104.2 47.8 -61.0 -40.3 38.1 29.4 8.8 94 97 A N H X S+ 0 0 2 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.769 109.9 53.2 -69.8 -31.4 41.6 29.8 10.0 95 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.914 110.9 46.4 -62.3 -50.7 40.5 32.6 12.5 96 99 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 6,-0.4 0.892 111.4 53.5 -59.9 -37.9 37.9 30.2 13.9 97 100 A L H ><5S+ 0 0 13 -4,-1.8 3,-1.8 1,-0.2 5,-0.2 0.954 108.9 47.2 -60.0 -52.3 40.6 27.5 14.1 98 101 A A H 3<5S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.676 107.1 59.1 -64.8 -18.5 42.9 29.8 16.1 99 102 A A T 3<5S- 0 0 2 -4,-1.2 118,-2.8 -3,-0.2 -1,-0.3 0.471 117.1-114.5 -87.5 -2.5 40.0 30.7 18.4 100 103 A G T < 5S+ 0 0 48 -3,-1.8 -3,-0.2 -4,-0.3 114,-0.2 0.645 75.0 134.7 85.3 15.5 39.6 27.0 19.2 101 104 A C S - 0 0 85 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.364 43.9 -93.1 -89.1 178.8 40.2 21.3 15.3 104 107 A F H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.910 122.9 44.8 -58.9 -48.5 42.4 21.3 12.3 105 108 A E H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.848 110.5 54.1 -64.4 -36.7 40.7 18.4 10.6 106 109 A T H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 108.7 48.1 -71.8 -37.7 37.3 19.6 11.2 107 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.916 110.9 51.3 -65.3 -40.6 38.0 23.0 9.6 108 111 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.940 108.9 51.7 -66.1 -42.8 39.5 21.3 6.6 109 112 A K H X S+ 0 0 97 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.915 110.6 47.5 -57.3 -43.2 36.4 19.2 6.4 110 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.910 112.0 51.6 -62.2 -39.3 34.2 22.3 6.5 111 114 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.877 105.0 53.8 -65.3 -45.1 36.4 23.9 3.8 112 115 A A H X S+ 0 0 30 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.881 111.5 45.7 -57.9 -41.1 36.3 21.1 1.4 113 116 A R H X S+ 0 0 91 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.935 114.8 48.0 -69.1 -43.3 32.5 21.2 1.5 114 117 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 114.3 46.4 -57.7 -44.9 32.5 24.9 1.1 115 118 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.886 111.0 51.4 -71.8 -41.3 34.9 24.8 -1.7 116 119 A E H X S+ 0 0 74 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.944 113.5 44.2 -58.9 -50.5 33.1 22.0 -3.5 117 120 A L H >X S+ 0 0 17 -4,-2.3 3,-1.6 1,-0.2 4,-0.7 0.933 111.7 51.6 -64.0 -46.7 29.7 23.8 -3.4 118 121 A M H >< S+ 0 0 7 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.909 104.8 59.6 -59.3 -34.6 31.1 27.2 -4.4 119 122 A S H 3< S+ 0 0 18 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.663 93.9 65.0 -63.8 -18.4 32.8 25.5 -7.4 120 123 A Q H << S+ 0 0 103 -3,-1.6 -1,-0.2 -4,-0.6 2,-0.2 0.689 74.9 108.0 -78.1 -23.6 29.4 24.3 -8.7 121 124 A A << - 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