==== 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 17-FEB-06 2G2Y . COMPND 2 MOLECULE: MALONYL COA-ACYL CARRIER PROTEIN TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.OEFNER . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.2 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 . 1 0.3 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 . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 2 1 1 1 3 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 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 3 A Q 0 0 115 0, 0.0 267,-2.7 0, 0.0 268,-1.1 0.000 360.0 360.0 360.0 141.6 52.8 16.4 10.7 2 4 A F E -a 269 0A 34 265,-0.2 82,-2.9 266,-0.2 83,-0.6 -0.846 360.0-148.5-123.8 157.3 55.9 18.3 11.8 3 5 A A E -ab 270 85A 0 266,-2.6 268,-2.7 -2,-0.3 2,-0.5 -0.870 18.4-126.7-114.8 158.8 57.4 19.7 14.9 4 6 A F E -ab 271 86A 0 81,-2.2 83,-1.8 -2,-0.3 2,-0.4 -0.923 24.0-167.2-101.1 129.3 59.6 22.8 15.4 5 7 A V E -ab 272 87A 2 266,-2.8 268,-2.2 -2,-0.5 83,-0.2 -0.953 6.1-152.5-119.3 143.3 62.9 22.3 17.2 6 8 A F E - b 0 88A 0 81,-1.8 83,-2.6 -2,-0.4 86,-0.2 -0.943 13.0-136.3-125.3 116.9 65.0 25.1 18.5 7 9 A P - 0 0 2 0, 0.0 88,-0.1 0, 0.0 2,-0.1 -0.123 15.5-142.7 -77.5 170.1 68.8 24.9 18.9 8 10 A G > - 0 0 8 1,-0.2 3,-1.8 83,-0.1 4,-0.2 -0.358 46.4 -30.8-121.5-165.8 71.0 26.0 21.8 9 11 A Q T 3 S+ 0 0 84 1,-0.2 -1,-0.2 80,-0.2 46,-0.1 -0.241 120.2 43.5 -62.1 126.6 74.4 27.6 22.5 10 12 A G T 3 S+ 0 0 56 -3,-0.1 -1,-0.2 50,-0.1 45,-0.0 0.113 91.2 84.5 124.1 -22.2 76.9 26.5 19.9 11 13 A S < + 0 0 8 -3,-1.8 -2,-0.1 265,-0.1 2,-0.1 0.588 68.2 100.1 -89.4 -10.0 74.7 27.0 16.9 12 14 A Q + 0 0 22 -4,-0.2 2,-0.3 42,-0.1 48,-0.0 -0.437 45.5 175.2 -75.7 149.2 75.4 30.7 16.5 13 15 A T > - 0 0 85 -2,-0.1 3,-2.2 33,-0.1 2,-0.2 -0.979 41.1 -93.8-145.8 153.5 77.8 32.1 13.9 14 16 A V T 3 S+ 0 0 61 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.442 115.4 24.8 -60.8 127.4 78.8 35.6 12.9 15 17 A G T > S+ 0 0 29 31,-3.2 3,-1.8 1,-0.3 -1,-0.3 0.382 85.2 159.1 96.7 -3.7 76.7 36.5 9.9 16 18 A M T < + 0 0 10 -3,-2.2 -1,-0.3 30,-0.5 -4,-0.0 -0.201 66.5 9.5 -57.7 143.4 73.8 34.1 10.8 17 19 A L T 3> S+ 0 0 10 279,-0.2 4,-2.8 1,-0.1 -1,-0.3 0.482 84.6 131.3 71.9 3.6 70.4 34.9 9.2 18 20 A A H <> S+ 0 0 40 -3,-1.8 4,-1.5 1,-0.2 -2,-0.1 0.924 75.4 43.6 -56.6 -44.6 71.9 37.6 6.9 19 21 A D H > S+ 0 0 98 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.892 112.6 51.4 -69.1 -38.8 70.2 36.2 3.8 20 22 A M H >> S+ 0 0 0 276,-0.4 4,-2.0 1,-0.2 3,-0.5 0.912 108.3 53.1 -63.8 -38.7 66.9 35.6 5.6 21 23 A A H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.879 105.7 54.1 -63.3 -34.6 67.1 39.2 6.8 22 24 A A H 3< S+ 0 0 85 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.751 115.8 38.5 -72.7 -24.4 67.6 40.3 3.2 23 25 A S H << S+ 0 0 68 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.673 123.0 40.3 -94.0 -20.8 64.4 38.5 2.1 24 26 A Y >< - 0 0 34 -4,-2.0 3,-2.3 -5,-0.2 4,-0.4 -0.860 58.2-164.3-141.3 99.2 62.3 39.3 5.2 25 27 A P T 3> S+ 0 0 90 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.696 85.6 74.9 -52.9 -23.1 62.3 42.7 6.9 26 28 A I H 3> S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.759 84.3 68.3 -66.6 -20.7 60.6 41.2 10.0 27 29 A V H <> S+ 0 0 0 -3,-2.3 4,-2.3 -7,-0.2 -1,-0.2 0.978 106.4 35.6 -61.5 -56.2 64.0 39.6 10.9 28 30 A E H > S+ 0 0 91 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.832 113.9 58.9 -69.6 -29.1 65.7 42.9 11.7 29 31 A E H X S+ 0 0 113 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.924 108.3 47.2 -60.8 -40.4 62.4 44.3 13.1 30 32 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.933 109.8 51.1 -66.7 -45.2 62.5 41.4 15.5 31 33 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 11,-0.4 0.770 107.1 56.0 -64.6 -23.0 66.2 42.0 16.4 32 34 A A H X S+ 0 0 57 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.866 103.7 51.8 -77.3 -37.6 65.4 45.7 17.0 33 35 A E H X S+ 0 0 90 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.946 113.9 45.7 -57.7 -46.0 62.7 44.9 19.6 34 36 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.909 110.6 52.3 -65.5 -42.9 65.3 42.7 21.3 35 37 A S H X>S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 5,-0.9 0.843 106.3 54.6 -62.0 -34.3 68.0 45.4 21.0 36 38 A A H <5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 110.0 46.8 -68.8 -34.3 65.6 47.8 22.7 37 39 A A H <5S+ 0 0 23 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.767 117.9 42.0 -76.8 -25.7 65.2 45.5 25.6 38 40 A L H <5S- 0 0 21 -4,-1.6 -2,-0.2 2,-0.3 -1,-0.2 0.716 102.8-124.2 -95.9 -25.8 69.0 44.8 25.9 39 41 A G T <5S+ 0 0 71 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.672 81.6 73.4 86.2 17.9 70.3 48.3 25.5 40 42 A Y S - 0 0 95 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.625 38.0-179.4 -89.4 91.5 72.3 46.5 18.9 42 44 A L H > S+ 0 0 0 -2,-1.3 4,-2.2 -11,-0.4 -1,-0.2 0.891 79.7 54.2 -60.3 -43.7 71.8 42.7 18.9 43 45 A W H > S+ 0 0 37 -12,-0.3 4,-2.1 1,-0.2 5,-0.3 0.944 107.7 49.3 -54.1 -51.3 71.7 42.5 15.1 44 46 A A H >>S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.891 109.1 54.1 -58.9 -39.1 75.0 44.3 14.7 45 47 A L H X5S+ 0 0 21 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.934 111.4 44.2 -59.4 -44.9 76.6 42.0 17.2 46 48 A T H <5S+ 0 0 0 -4,-2.2 -31,-3.2 1,-0.2 -30,-0.5 0.772 120.1 41.1 -72.9 -26.6 75.4 38.9 15.2 47 49 A Q H <5S+ 0 0 46 -4,-2.1 -1,-0.2 -33,-0.2 -2,-0.2 0.761 128.9 25.0 -90.8 -28.7 76.5 40.3 11.9 48 50 A Q H <5S+ 0 0 150 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.682 89.8 151.6-111.9 -23.8 79.8 41.9 12.8 49 51 A G << - 0 0 16 -4,-1.9 -1,-0.2 -5,-0.5 2,-0.2 -0.475 56.1-133.0 66.7-143.2 81.0 40.0 15.9 50 52 A P >> - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-1.3 0.487 31.9-128.8 -73.7 169.0 83.6 39.5 16.7 51 53 A A H 3> S+ 0 0 49 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.844 107.0 59.9 -51.4 -39.7 83.0 35.8 17.3 52 54 A E H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.818 107.8 45.2 -66.3 -30.5 84.4 36.1 20.8 53 55 A E H X4 S+ 0 0 60 -3,-1.3 3,-1.2 2,-0.2 -1,-0.2 0.888 112.0 51.1 -74.1 -42.2 81.8 38.6 21.7 54 56 A L H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.766 107.7 55.2 -65.5 -24.9 79.0 36.6 20.1 55 57 A N T 3< S+ 0 0 76 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.399 75.5 109.0 -97.3 3.0 80.1 33.5 22.1 56 58 A K S X> S- 0 0 70 -3,-1.2 3,-2.8 1,-0.1 4,-2.7 -0.739 74.0-134.8 -77.0 123.4 79.9 35.2 25.5 57 59 A T H 3> S+ 0 0 4 -2,-0.5 4,-2.2 1,-0.3 59,-0.2 0.744 99.0 58.5 -73.3 -28.3 76.9 33.3 26.8 58 60 A W H 34 S+ 0 0 63 58,-0.3 -1,-0.3 1,-0.2 59,-0.2 0.630 120.1 34.9 -68.3 -9.1 74.9 36.2 28.3 59 61 A Q H <> S+ 0 0 30 -3,-2.8 4,-1.7 -6,-0.2 -2,-0.3 0.706 113.0 58.6-109.9 -35.7 75.1 37.6 24.7 60 62 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.893 102.8 54.7 -54.1 -44.6 74.9 34.3 22.9 61 63 A Q H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.957 110.5 40.7 -69.2 -52.3 71.6 33.4 24.5 62 64 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.847 115.1 55.9 -58.3 -33.2 69.5 36.5 23.6 63 65 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.934 113.1 38.6 -65.9 -46.6 71.2 36.4 20.1 64 66 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.903 114.7 53.2 -72.2 -43.2 70.1 32.8 19.5 65 67 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.903 112.6 46.0 -55.6 -41.6 66.6 33.3 21.1 66 68 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.888 110.0 53.2 -73.9 -40.4 66.1 36.3 18.8 67 69 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 112.0 45.4 -55.5 -48.2 67.3 34.5 15.7 68 70 A S H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.898 112.8 49.4 -66.5 -42.1 64.9 31.6 16.3 69 71 A V H X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.908 109.3 53.1 -64.6 -39.8 61.9 33.9 17.1 70 72 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.922 109.9 47.7 -61.0 -44.9 62.6 35.9 14.0 71 73 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.946 111.7 49.9 -61.0 -47.2 62.6 32.7 11.9 72 74 A Y H X S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.928 109.1 53.1 -54.3 -45.1 59.4 31.6 13.5 73 75 A R H X S+ 0 0 63 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.862 106.7 51.5 -64.3 -34.2 57.9 35.0 12.8 74 76 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 6,-0.2 0.944 109.4 51.2 -65.1 -46.3 58.8 34.7 9.1 75 77 A W H <>S+ 0 0 12 -4,-2.4 5,-2.9 1,-0.2 -2,-0.2 0.940 114.5 42.0 -52.8 -53.2 57.1 31.3 9.0 76 78 A Q H ><5S+ 0 0 112 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.929 113.0 53.4 -62.8 -46.2 53.9 32.7 10.6 77 79 A Q H 3<5S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.863 106.8 52.1 -58.4 -38.7 54.0 35.9 8.5 78 80 A Q T 3<5S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.266 127.6 -97.5 -87.8 13.4 54.2 33.9 5.3 79 81 A G T < 5 + 0 0 64 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.572 64.2 165.5 89.1 11.2 51.2 31.9 6.2 80 82 A G < - 0 0 15 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.1 -0.277 36.9-116.0 -60.1 142.5 52.9 28.8 7.7 81 83 A K - 0 0 161 1,-0.1 -1,-0.1 224,-0.1 -5,-0.0 -0.472 35.5 -95.2 -74.9 151.4 50.8 26.4 9.8 82 84 A A - 0 0 48 -2,-0.1 -80,-0.2 1,-0.1 -1,-0.1 -0.400 43.3-112.1 -61.1 140.4 51.5 25.9 13.5 83 85 A P - 0 0 5 0, 0.0 -80,-0.2 0, 0.0 3,-0.1 -0.360 20.0-119.9 -67.1 155.9 53.8 22.8 14.2 84 86 A A S S- 0 0 35 -82,-2.9 2,-0.3 1,-0.2 -81,-0.2 0.837 90.4 -9.0 -66.3 -30.5 52.1 19.9 16.0 85 87 A M E -b 3 0A 16 -83,-0.6 -81,-2.2 139,-0.1 2,-0.3 -0.976 63.3-139.8-160.2 163.9 54.7 20.4 18.8 86 88 A M E +bc 4 226A 0 139,-2.6 141,-2.5 -2,-0.3 2,-0.3 -0.967 14.7 174.0-131.9 151.9 57.8 22.2 19.8 87 89 A A E -b 5 0A 0 -83,-1.8 -81,-1.8 -2,-0.3 2,-0.4 -0.958 10.8-161.4-150.7 142.4 61.0 21.3 21.7 88 90 A G E -b 6 0A 0 139,-0.4 2,-0.8 -2,-0.3 5,-0.3 -0.981 20.8-124.8-129.6 139.7 64.1 23.4 22.3 89 91 A H > - 0 0 12 -83,-2.6 3,-2.0 -2,-0.4 2,-0.5 -0.711 68.7 -57.8 -86.9 107.5 67.6 22.3 23.3 90 92 A S T >> S+ 0 0 14 -2,-0.8 3,-1.6 1,-0.3 4,-0.5 -0.447 140.8 19.7 63.4-109.7 68.7 24.1 26.5 91 93 A L H >> S+ 0 0 3 -2,-0.5 3,-2.1 1,-0.3 4,-0.9 0.910 121.0 68.2 -53.2 -38.2 68.6 27.8 25.6 92 94 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.3 -1,-0.3 0.726 82.0 71.4 -59.0 -24.2 66.3 26.7 22.8 93 95 A E H <> S+ 0 0 3 -3,-1.6 4,-2.1 -5,-0.3 -1,-0.3 0.883 97.1 52.1 -58.2 -35.3 63.6 25.7 25.3 94 96 A Y H S+ 0 0 3 -4,-2.1 5,-2.9 1,-0.2 6,-1.0 0.851 110.2 48.0 -70.5 -31.5 58.2 28.8 24.9 98 100 A V H ><5S+ 0 0 17 -4,-2.0 3,-1.3 4,-0.2 -1,-0.2 0.927 113.2 46.9 -68.0 -45.3 58.2 32.2 23.2 99 101 A C H 3<5S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.780 109.7 54.0 -73.0 -23.4 56.9 30.8 20.0 100 102 A A T 3<5S- 0 0 0 -4,-2.1 123,-2.5 -5,-0.2 124,-0.3 0.429 119.5-113.1 -88.8 -0.6 54.3 28.8 21.8 101 103 A G T < 5S+ 0 0 35 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.611 83.6 118.3 88.3 13.6 53.1 32.0 23.4 102 104 A V S - 0 0 84 114,-0.5 4,-2.6 -2,-0.4 5,-0.2 -0.404 31.0-123.6 -57.8 136.3 56.5 37.5 26.1 105 107 A F H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.876 109.3 45.0 -51.8 -51.2 59.4 37.9 23.6 106 108 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 112.6 53.1 -67.3 -37.8 61.0 41.0 25.3 107 109 A D H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.932 109.9 48.4 -55.4 -47.9 60.6 39.3 28.7 108 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.889 107.9 55.1 -63.6 -39.9 62.4 36.2 27.4 109 111 A V H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.936 112.9 40.3 -60.6 -48.8 65.2 38.3 25.9 110 112 A R H X S+ 0 0 99 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.885 114.3 57.7 -65.1 -37.6 66.0 40.0 29.2 111 113 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.940 106.4 44.1 -60.2 -50.7 65.5 36.7 30.9 112 114 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.799 108.3 59.2 -75.1 -24.8 68.1 34.7 29.0 113 115 A E H X S+ 0 0 31 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.952 110.8 42.3 -58.5 -48.8 70.6 37.5 29.3 114 116 A M H X S+ 0 0 53 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.948 111.7 54.8 -65.2 -46.0 70.2 37.2 33.1 115 117 A R H X S+ 0 0 5 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.923 108.1 50.6 -44.8 -51.1 70.3 33.4 32.8 116 118 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -58,-0.3 0.901 111.2 47.2 -58.8 -43.7 73.6 33.8 30.9 117 119 A K H X S+ 0 0 97 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.915 111.7 50.1 -66.7 -42.2 75.1 36.0 33.6 118 120 A F H X S+ 0 0 20 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.918 113.3 47.2 -60.1 -43.0 74.0 33.7 36.4 119 121 A M H >< S+ 0 0 9 -4,-2.6 3,-1.2 -5,-0.3 4,-0.5 0.933 109.2 53.1 -65.1 -47.1 75.5 30.7 34.6 120 122 A Q H 3< S+ 0 0 53 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.827 113.6 42.1 -59.1 -37.1 78.8 32.5 33.8 121 123 A E H 3< S+ 0 0 124 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.497 87.3 96.7 -89.0 -5.8 79.4 33.5 37.4 122 124 A A S << S+ 0 0 33 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.882 98.9 7.1 -51.3 -41.9 78.2 30.1 38.8 123 125 A V S S- 0 0 23 -4,-0.5 -1,-0.2 -3,-0.4 3,-0.1 -0.988 90.6 -92.7-147.6 142.7 81.8 28.9 39.0 124 126 A P >> - 0 0 92 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.253 53.7 -92.9 -56.1 142.7 85.2 30.5 38.5 125 127 A E T 34 S+ 0 0 155 1,-0.3 70,-0.0 2,-0.1 -4,-0.0 -0.373 114.9 27.1 -53.3 132.3 86.7 30.3 35.0 126 128 A G T 34 S+ 0 0 60 2,-0.2 -1,-0.3 -3,-0.1 3,-0.0 0.511 99.4 87.0 89.7 5.5 88.9 27.2 34.9 127 129 A T T <4 S+ 0 0 33 -3,-1.9 44,-2.9 44,-0.1 45,-0.3 0.710 84.2 56.1-100.5 -24.7 87.1 25.2 37.6 128 130 A G E < -E 170 0B 11 -4,-0.6 2,-0.3 42,-0.3 42,-0.2 -0.630 60.0-178.1-107.9 159.8 84.5 23.6 35.3 129 131 A A E -E 169 0B 20 40,-2.6 40,-1.8 -2,-0.2 2,-0.4 -0.989 13.9-154.3-149.5 160.6 84.7 21.5 32.1 130 132 A M E -E 168 0B 23 62,-0.4 62,-2.0 -2,-0.3 2,-0.4 -0.991 13.1-171.6-128.6 142.1 82.5 19.8 29.5 131 133 A A E -EF 167 191B 7 36,-3.0 36,-3.2 -2,-0.4 2,-0.7 -0.999 20.8-133.1-134.4 143.9 83.4 16.8 27.4 132 134 A A E -EF 166 190B 24 58,-3.4 58,-2.3 -2,-0.4 2,-0.6 -0.812 19.0-156.1 -91.2 115.7 81.7 15.1 24.4 133 135 A I E -EF 165 189B 0 32,-3.7 32,-2.3 -2,-0.7 2,-0.6 -0.844 13.0-165.1 -94.7 121.5 81.6 11.3 24.9 134 136 A I E +EF 164 188B 38 54,-2.4 53,-2.0 -2,-0.6 54,-1.9 -0.912 59.8 7.2-117.8 118.5 81.3 9.6 21.5 135 137 A G S S+ 0 0 46 28,-2.1 2,-0.4 -2,-0.6 -1,-0.2 0.757 91.6 111.9 92.3 28.5 80.3 6.0 21.0 136 138 A L - 0 0 13 -3,-0.3 27,-0.5 50,-0.1 -1,-0.3 -0.996 68.3-108.6-130.4 140.7 79.3 4.8 24.4 137 139 A D > - 0 0 83 -2,-0.4 4,-1.4 25,-0.1 3,-0.4 -0.276 32.7-110.5 -68.1 152.2 75.8 3.9 25.6 138 140 A D H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.813 113.3 50.9 -51.8 -38.3 74.0 6.2 28.0 139 141 A A H > S+ 0 0 65 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.891 105.0 52.8 -80.5 -41.0 74.2 3.9 31.0 140 142 A S H > S+ 0 0 39 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.798 109.5 53.0 -59.9 -30.4 77.9 3.1 30.8 141 143 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.916 106.5 50.4 -72.7 -43.2 78.5 6.9 30.8 142 144 A A H X S+ 0 0 32 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.920 112.9 47.4 -59.5 -42.9 76.4 7.5 33.9 143 145 A K H X S+ 0 0 114 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.939 110.8 50.9 -63.9 -48.8 78.4 4.7 35.7 144 146 A A H X S+ 0 0 4 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.875 111.7 48.7 -54.1 -39.4 81.7 6.1 34.5 145 147 A C H X S+ 0 0 2 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.934 110.2 50.3 -71.1 -43.0 80.6 9.5 35.9 146 148 A E H X S+ 0 0 150 -4,-2.7 4,-0.6 1,-0.2 3,-0.5 0.918 112.3 47.1 -57.4 -45.8 79.5 8.1 39.2 147 149 A E H < S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.791 115.1 46.4 -66.8 -30.3 82.8 6.2 39.7 148 150 A A H < S+ 0 0 7 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.637 90.5 81.2 -89.7 -17.4 84.8 9.3 38.7 149 151 A A H >< + 0 0 20 -4,-1.3 3,-2.2 -3,-0.5 -1,-0.2 0.941 57.6 177.8 -60.7 -53.9 83.1 11.9 40.8 150 152 A E T 3< S- 0 0 153 -4,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.896 82.3 -41.2 50.2 49.4 84.9 11.1 44.1 151 153 A G T 3 S+ 0 0 86 1,-0.4 -1,-0.3 22,-0.0 2,-0.1 0.284 127.1 94.9 82.3 -11.2 83.1 13.9 45.9 152 154 A Q S < S- 0 0 48 -3,-2.2 2,-0.5 -4,-0.1 -1,-0.4 -0.411 83.0 -97.9 -89.3-177.8 83.4 16.4 43.0 153 155 A V + 0 0 37 -2,-0.1 17,-2.5 -3,-0.1 2,-0.3 -0.916 52.5 141.2-108.9 124.4 80.7 16.9 40.5 154 156 A V E +G 169 0B 11 -2,-0.5 15,-0.2 15,-0.2 -5,-0.1 -0.895 15.2 143.6-152.6 138.7 80.5 15.2 37.1 155 157 A S E -G 168 0B 34 13,-2.1 13,-1.8 -2,-0.3 2,-0.2 -0.983 55.9 -75.8-158.1 164.2 77.5 13.9 35.2 156 158 A P E +G 167 0B 17 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.545 45.6 172.7 -61.3 130.6 75.9 13.5 31.8 157 159 A V E + 0 0 0 9,-3.6 96,-3.3 1,-0.3 2,-0.4 0.611 62.5 36.5-120.2 -24.6 74.4 16.9 30.9 158 160 A N E -Gh 166 253B 23 8,-1.8 8,-2.3 94,-0.2 2,-0.9 -0.962 54.1-168.6-127.6 119.0 73.3 16.5 27.3 159 161 A F E +Gh 165 254B 22 94,-3.0 97,-2.3 -2,-0.4 96,-0.8 -0.872 25.5 160.4 -92.7 99.7 71.7 13.3 25.9 160 162 A N E - 0 0 26 4,-1.7 5,-0.2 -2,-0.9 -1,-0.2 0.868 60.1 -33.7 -96.6 -41.8 71.9 14.3 22.2 161 163 A S E > S-G 164 0B 0 3,-1.7 3,-2.6 -3,-0.2 -1,-0.4 -0.955 81.8 -62.4-160.8 171.8 71.7 11.0 20.5 162 164 A P T 3 S+ 0 0 73 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 -0.467 129.2 13.9 -54.9 118.7 72.6 7.3 21.0 163 165 A G T 3 S+ 0 0 18 -27,-0.5 -28,-2.1 -2,-0.3 2,-0.3 0.519 113.0 88.5 83.9 7.1 76.4 7.5 21.1 164 166 A Q E < +EG 134 161B 58 -3,-2.6 -3,-1.7 -30,-0.2 -4,-1.7 -0.841 50.1 151.0-138.0 101.7 76.6 11.2 21.5 165 167 A V E -EG 133 159B 3 -32,-2.3 -32,-3.7 -2,-0.3 2,-0.5 -0.994 31.8-145.5-137.1 131.6 76.5 12.5 25.1 166 168 A V E -EG 132 158B 12 -8,-2.3 -9,-3.6 -2,-0.4 -8,-1.8 -0.829 14.9-167.8 -95.8 132.7 78.0 15.5 26.8 167 169 A I E +EG 131 156B 0 -36,-3.2 -36,-3.0 -2,-0.5 2,-0.3 -0.850 9.9 172.2-112.9 160.8 79.3 15.4 30.3 168 170 A A E +EG 130 155B 0 -13,-1.8 -13,-2.1 -2,-0.3 2,-0.3 -0.965 19.1 100.5-159.7 163.4 80.2 18.3 32.5 169 171 A G E S+EG 129 154B 0 -40,-1.8 -40,-2.6 -2,-0.3 -15,-0.2 -0.984 74.7 0.9 151.9-156.2 81.3 19.2 36.1 170 172 A H E > S-E 128 0B 42 -17,-2.5 4,-2.4 -2,-0.3 3,-0.3 -0.440 71.4-119.1 -60.3 136.1 84.5 20.0 37.9 171 173 A K H > S+ 0 0 96 -44,-2.9 4,-1.8 1,-0.2 5,-0.1 0.871 110.4 48.0 -40.8 -52.9 87.5 20.0 35.6 172 174 A E H > S+ 0 0 79 -45,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.893 112.8 47.1 -68.1 -40.2 89.3 17.2 37.4 173 175 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.847 108.1 55.5 -69.2 -34.1 86.3 14.9 37.6 174 176 A V H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.875 108.6 50.1 -67.8 -32.8 85.4 15.4 34.0 175 177 A E H X S+ 0 0 107 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.956 111.0 47.2 -64.3 -52.6 89.0 14.3 33.2 176 178 A R H X S+ 0 0 95 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 113.6 49.9 -52.4 -42.6 88.6 11.2 35.3 177 179 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.899 106.3 53.6 -73.7 -39.8 85.2 10.5 33.7 178 180 A G H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.947 110.9 47.9 -52.3 -50.1 86.5 10.9 30.2 179 181 A A H X S+ 0 0 61 -4,-2.2 4,-2.8 1,-0.3 -2,-0.2 0.929 110.6 49.4 -61.8 -47.6 89.2 8.3 30.9 180 182 A A H X S+ 0 0 29 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.843 110.2 53.5 -60.2 -31.6 86.8 5.9 32.5 181 183 A C H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.933 109.2 46.9 -71.3 -44.1 84.6 6.4 29.4 182 184 A K H ><5S+ 0 0 120 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.919 111.3 52.8 -57.0 -44.1 87.5 5.5 27.1 183 185 A A H 3<5S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.6 54.7 -64.0 -29.8 88.2 2.5 29.3 184 186 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.519 133.6 -86.4 -84.0 -6.0 84.6 1.4 29.0 185 187 A G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.459 70.6 156.8 120.2 3.2 84.8 1.4 25.2 186 188 A A < - 0 0 7 -5,-2.5 -1,-0.2 1,-0.1 -51,-0.2 -0.317 37.8-144.3 -65.2 142.9 84.1 5.0 24.1 187 189 A K S S+ 0 0 140 -53,-2.0 2,-0.3 1,-0.2 -52,-0.2 0.888 78.8 6.9 -73.9 -40.2 85.4 6.0 20.7 188 190 A R E -F 134 0B 120 -54,-1.9 -54,-2.4 2,-0.1 2,-0.3 -0.986 44.1-167.1-139.8 147.2 86.2 9.5 21.8 189 191 A A E -F 133 0B 29 -2,-0.3 -56,-0.2 -56,-0.2 -11,-0.0 -0.781 29.0-174.0-123.2 93.4 86.2 11.8 24.8 190 192 A L E -F 132 0B 87 -58,-2.3 -58,-3.4 -2,-0.3 2,-0.2 -0.758 19.6-133.9 -93.2 120.6 86.6 15.3 23.2 191 193 A P E -F 131 0B 111 0, 0.0 -60,-0.2 0, 0.0 -2,-0.0 -0.478 24.9-143.4 -64.2 136.4 87.1 18.3 25.4 192 194 A L - 0 0 53 -62,-2.0 2,-2.6 -2,-0.2 -62,-0.4 -0.683 24.6-108.4-105.7 154.5 84.9 21.3 24.5 193 195 A P S S+ 0 0 143 0, 0.0 -64,-0.0 0, 0.0 -1,-0.0 -0.367 81.5 123.2 -69.1 59.7 85.4 25.1 24.4 194 196 A V + 0 0 36 -2,-2.6 2,-1.3 -64,-0.2 -65,-0.1 0.955 29.4 162.1 -91.8 -81.6 83.1 25.2 27.4 195 197 A S + 0 0 26 -3,-0.3 -1,-0.2 -67,-0.2 -24,-0.0 -0.777 65.6 81.6 75.8 -88.0 84.0 26.7 30.8 196 198 A V S S- 0 0 19 -2,-1.3 2,-1.8 1,-0.2 -76,-0.1 -0.247 73.9-151.9 -53.2 109.0 80.4 27.0 31.9 197 199 A P > - 0 0 3 0, 0.0 3,-0.7 0, 0.0 5,-0.2 -0.520 27.0-174.5 -82.4 71.9 79.5 23.5 33.2 198 200 A S T 3 + 0 0 17 -2,-1.8 52,-0.1 1,-0.2 3,-0.1 -0.209 52.2 26.6 -72.5 156.7 75.8 23.8 32.4 199 201 A H T 3 S+ 0 0 3 50,-1.8 2,-0.3 1,-0.3 51,-0.2 0.672 97.4 95.1 69.1 22.7 73.1 21.2 33.3 200 202 A C S X S- 0 0 2 -3,-0.7 3,-2.4 49,-0.3 -1,-0.3 -0.809 95.6 -84.9-126.1-177.7 74.9 19.6 36.3 201 203 A A G > S+ 0 0 54 1,-0.3 3,-1.4 -2,-0.3 49,-0.1 0.639 116.9 76.1 -64.8 -16.3 74.6 20.3 40.0 202 204 A L G 3 S+ 0 0 27 1,-0.3 -1,-0.3 -5,-0.2 4,-0.2 0.693 87.8 61.6 -66.0 -17.2 77.1 23.1 39.8 203 205 A M G X> S+ 0 0 0 -3,-2.4 4,-2.7 1,-0.2 3,-0.7 0.473 74.5 102.6 -88.8 -3.2 74.4 25.3 38.3 204 206 A K H X> S+ 0 0 79 -3,-1.4 4,-2.4 1,-0.3 3,-0.7 0.927 79.4 45.5 -44.9 -67.9 72.2 25.1 41.4 205 207 A P H 3> S+ 0 0 82 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.739 113.8 52.3 -56.5 -24.7 73.0 28.5 42.9 206 208 A A H <> S+ 0 0 2 -3,-0.7 4,-2.2 -4,-0.2 -2,-0.2 0.874 108.9 50.9 -69.7 -41.3 72.5 30.0 39.4 207 209 A A H < S+ 0 0 38 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.921 110.3 55.5 -69.3 -42.0 63.7 36.3 38.1 214 216 A L H >< S+ 0 0 1 -4,-3.2 3,-2.2 1,-0.3 -1,-0.2 0.883 99.5 60.9 -59.1 -39.2 61.3 33.8 36.5 215 217 A A T 3< S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.711 97.9 60.0 -61.3 -20.6 58.7 34.5 39.2 216 218 A K T < S+ 0 0 142 -3,-1.6 2,-0.4 -4,-0.4 -1,-0.3 0.543 94.6 82.5 -81.3 -8.1 58.7 38.1 38.1 217 219 A I S < S- 0 0 27 -3,-2.2 2,-0.3 -4,-0.3 -114,-0.0 -0.834 81.2-120.1-111.4 133.9 57.5 37.1 34.6 218 220 A T - 0 0 95 -2,-0.4 -114,-0.5 1,-0.0 2,-0.5 -0.514 27.0-160.8 -66.2 125.8 54.0 36.4 33.4 219 221 A F - 0 0 20 -2,-0.3 2,-0.2 -116,-0.1 19,-0.2 -0.950 6.8-164.9-109.1 128.9 53.7 32.8 32.0 220 222 A N - 0 0 86 -118,-2.5 0, 0.0 -2,-0.5 0, 0.0 -0.670 32.1 -87.2-104.6 164.1 50.8 32.0 29.7 221 223 A A - 0 0 69 -2,-0.2 2,-0.1 1,-0.1 16,-0.1 -0.438 51.6-106.3 -64.6 141.2 49.4 28.6 28.6 222 224 A P - 0 0 24 0, 0.0 -121,-0.2 0, 0.0 -1,-0.1 -0.460 15.0-152.0 -69.9 143.2 51.1 27.2 25.5 223 225 A T S S+ 0 0 106 -123,-2.5 -122,-0.1 1,-0.2 -123,-0.1 0.597 88.7 27.6 -92.3 -16.3 49.2 27.3 22.2 224 226 A V S S- 0 0 13 -124,-0.3 -1,-0.2 -138,-0.0 -139,-0.1 -0.980 102.6 -90.0-138.0 153.0 51.1 24.3 21.1 225 227 A P - 0 0 57 0, 0.0 -139,-2.6 0, 0.0 2,-0.5 -0.354 36.5-161.3 -64.3 134.9 52.6 21.5 23.1 226 228 A V B -c 86 0A 7 9,-0.3 2,-0.6 -141,-0.2 9,-0.5 -0.985 9.0-146.3-117.5 120.7 56.2 22.1 24.3 227 229 A V - 0 0 0 -141,-2.5 -139,-0.4 -2,-0.5 7,-0.2 -0.775 24.1-134.5 -87.3 117.8 58.2 19.0 25.4 228 230 A N > - 0 0 9 5,-2.6 4,-1.5 -2,-0.6 5,-0.2 -0.354 6.4-132.3 -82.9 152.2 60.5 20.1 28.2 229 231 A N T 4 S+ 0 0 0 -141,-0.2 25,-1.9 1,-0.2 -1,-0.1 0.784 100.4 50.6 -62.4 -34.6 64.2 19.1 28.5 230 232 A V T 4 S+ 0 0 15 23,-0.1 -1,-0.2 1,-0.1 15,-0.0 0.939 129.7 8.3 -82.5 -43.8 64.0 18.1 32.1 231 233 A D T 4 S- 0 0 62 2,-0.2 -2,-0.2 22,-0.0 -1,-0.1 0.468 89.2-121.3-114.0 -7.4 61.1 15.7 32.3 232 234 A V S < S+ 0 0 27 -4,-1.5 2,-0.4 1,-0.2 -3,-0.1 0.921 70.5 137.1 55.7 44.9 60.2 15.2 28.6 233 235 A K - 0 0 103 -5,-0.2 -5,-2.6 -7,-0.0 2,-1.1 -0.943 60.8-132.9-122.5 142.5 56.8 16.5 29.6 234 236 A C - 0 0 41 -2,-0.4 2,-0.2 -7,-0.2 -7,-0.2 -0.798 33.5-172.1 -87.5 92.3 54.4 18.9 27.9 235 237 A E + 0 0 42 -2,-1.1 -9,-0.3 -9,-0.5 3,-0.0 -0.610 18.5 179.6 -80.3 148.6 53.4 21.1 30.8 236 238 A T + 0 0 95 -2,-0.2 2,-0.4 -15,-0.1 -1,-0.1 0.498 55.0 94.9-122.6 -17.7 50.6 23.7 30.3 237 239 A N S > S- 0 0 85 1,-0.1 4,-2.6 -16,-0.1 3,-0.4 -0.693 72.5-138.4 -82.3 129.6 50.6 25.2 33.8 238 240 A G H > S+ 0 0 10 -2,-0.4 4,-2.9 1,-0.3 -1,-0.1 0.846 102.0 47.6 -61.5 -38.9 52.7 28.3 33.9 239 241 A D H > S+ 0 0 102 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.838 110.2 53.1 -74.3 -31.6 54.2 27.6 37.2 240 242 A A H > S+ 0 0 23 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.910 111.0 46.7 -66.8 -41.2 55.0 24.1 36.2 241 243 A I H X S+ 0 0 8 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.965 112.1 51.7 -63.2 -48.0 56.8 25.4 33.1 242 244 A R H >X S+ 0 0 43 -4,-2.9 4,-2.0 1,-0.3 3,-0.6 0.947 110.1 47.9 -48.1 -55.9 58.5 27.9 35.4 243 245 A D H 3X S+ 0 0 82 -4,-3.1 4,-2.4 1,-0.3 -1,-0.3 0.829 108.8 55.1 -58.3 -33.5 59.6 25.1 37.7 244 246 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.837 105.5 51.9 -72.2 -31.3 60.8 23.0 34.8 245 247 A L H X S+ 0 0 23 -4,-2.0 3,-1.0 1,-0.2 4,-0.6 0.970 115.5 42.5 -58.1 -53.6 64.6 26.1 37.0 247 249 A R H >X S+ 0 0 61 -4,-2.4 3,-0.7 1,-0.3 4,-0.7 0.843 105.0 67.3 -66.8 -31.1 65.2 22.4 37.2 248 250 A Q H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 -1,-0.3 0.840 91.9 62.1 -50.0 -38.2 66.4 22.4 33.6 249 251 A L H << S+ 0 0 1 -3,-1.0 -50,-1.8 -4,-1.0 -49,-0.3 0.831 113.5 29.5 -71.3 -32.5 69.5 24.4 34.4 250 252 A Y H << S+ 0 0 54 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.315 112.6 73.7-112.0 12.1 71.1 22.0 36.8 251 253 A N S << S- 0 0 50 -3,-0.7 -51,-0.1 -4,-0.7 -94,-0.1 -0.829 90.4 -84.9-123.3 158.6 69.8 18.7 35.2 252 254 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 -94,-0.2 -0.295 37.9-118.6 -65.0 143.0 70.6 16.9 32.0 253 255 A V E -h 158 0B 0 -96,-3.3 -94,-3.0 1,-0.1 2,-1.5 -0.748 20.7-153.1 -81.1 115.7 69.0 17.8 28.7 254 256 A Q E > +h 159 0B 36 -25,-1.9 4,-2.0 -2,-0.6 5,-0.2 -0.468 38.7 147.1 -90.1 64.9 67.0 14.7 27.5 255 257 A W H > + 0 0 0 -2,-1.5 4,-2.8 -96,-0.8 5,-0.3 0.956 67.5 54.3 -72.6 -47.5 67.2 15.5 23.8 256 258 A T H > S+ 0 0 6 -97,-2.3 4,-2.0 -3,-0.3 -1,-0.2 0.917 114.3 41.6 -45.5 -51.6 67.3 11.8 22.7 257 259 A K H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.823 111.6 55.4 -75.8 -28.7 64.1 11.0 24.7 258 260 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.891 110.2 46.0 -67.5 -39.2 62.4 14.2 23.7 259 261 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.886 113.3 49.3 -70.5 -37.8 62.9 13.4 20.0 260 262 A E H X S+ 0 0 89 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.899 109.9 52.8 -64.2 -41.0 61.7 9.8 20.6 261 263 A Y H X S+ 0 0 80 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.890 107.3 50.6 -60.9 -40.7 58.7 11.2 22.4 262 264 A M H ><>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 3,-1.1 0.938 111.5 47.7 -66.5 -44.9 57.8 13.5 19.5 263 265 A A H ><5S+ 0 0 27 -4,-2.0 3,-2.4 1,-0.3 -2,-0.2 0.921 106.6 57.9 -59.3 -43.6 58.0 10.6 17.1 264 266 A A H 3<5S+ 0 0 78 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.676 102.1 56.9 -62.6 -16.2 55.9 8.5 19.4 265 267 A Q T <<5S- 0 0 104 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.361 129.1 -94.6 -95.2 2.3 53.3 11.2 19.1 266 268 A G T < 5S+ 0 0 46 -3,-2.4 -3,-0.2 1,-0.3 2,-0.2 0.388 74.2 147.8 102.8 -2.2 53.1 10.9 15.3 267 269 A V < + 0 0 6 -5,-1.9 -1,-0.3 -6,-0.2 -265,-0.2 -0.473 18.2 176.0 -66.0 137.5 55.5 13.6 14.4 268 270 A E + 0 0 127 -267,-2.7 23,-1.9 1,-0.3 2,-0.4 0.567 59.3 38.2-120.8 -18.9 57.4 12.7 11.2 269 271 A H E -ad 2 291A 33 -268,-1.1 -266,-2.6 21,-0.2 2,-0.5 -1.000 60.2-153.6-140.4 136.8 59.5 15.7 10.4 270 272 A L E -ad 3 292A 1 21,-2.3 23,-2.0 -2,-0.4 2,-0.6 -0.952 7.5-158.9-108.8 123.2 61.5 18.2 12.5 271 273 A Y E -ad 4 293A 38 -268,-2.7 -266,-2.8 -2,-0.5 2,-0.9 -0.897 15.2-139.8 -95.7 124.2 62.1 21.7 11.2 272 274 A E E -ad 5 294A 0 21,-2.4 23,-2.7 -2,-0.6 2,-1.3 -0.774 14.1-164.7 -85.6 107.9 65.1 23.3 12.9 273 275 A V + 0 0 2 -268,-2.2 -201,-0.2 -2,-0.9 -202,-0.1 -0.663 59.4 58.0 -97.2 79.6 64.0 26.9 13.5 274 276 A G S S- 0 0 0 -2,-1.3 21,-0.2 2,-0.2 -2,-0.1 -0.950 93.9 -62.8 173.1 167.6 67.4 28.4 14.2 275 277 A P S S+ 0 0 4 0, 0.0 3,-0.3 0, 0.0 -263,-0.1 -0.320 95.1 20.2 -70.1 158.2 70.9 29.0 12.7 276 278 A G S S- 0 0 32 1,-0.2 -2,-0.2 2,-0.1 20,-0.1 -0.013 80.9-101.8 77.0-178.3 73.1 26.0 11.9 277 279 A K S > S+ 0 0 130 2,-0.1 4,-1.9 17,-0.1 -1,-0.2 -0.036 73.5 122.8-135.2 31.4 72.1 22.3 11.4 278 280 A V H > S+ 0 0 75 -3,-0.3 4,-1.3 2,-0.2 3,-0.2 0.965 80.6 37.8 -61.5 -55.4 73.0 20.8 14.7 279 281 A L H > S+ 0 0 3 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 112.3 60.2 -70.8 -33.6 69.6 19.4 15.7 280 282 A T H > S+ 0 0 28 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.921 105.7 48.1 -53.6 -46.3 68.9 18.4 12.1 281 283 A G H < S+ 0 0 37 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.773 109.0 53.0 -70.3 -28.9 71.9 16.2 12.1 282 284 A L H >X S+ 0 0 10 -4,-1.3 4,-1.2 1,-0.2 3,-0.6 0.810 91.2 80.6 -67.6 -30.2 71.0 14.5 15.4 283 285 A T H >X S+ 0 0 1 -4,-1.3 4,-2.6 -3,-0.5 3,-0.9 0.847 92.0 41.3 -60.3 -49.5 67.6 13.5 14.3 284 286 A K H 3< S+ 0 0 109 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.812 108.9 61.5 -69.6 -30.0 68.2 10.4 12.2 285 287 A R H <4 S+ 0 0 156 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.758 111.1 40.8 -65.1 -25.7 70.7 9.1 14.7 286 288 A I H << S+ 0 0 16 -4,-1.2 2,-0.4 -3,-0.9 -2,-0.2 0.893 138.9 5.6 -86.7 -49.6 67.8 9.1 17.3 287 289 A V >< - 0 0 33 -4,-2.6 3,-1.6 -5,-0.2 -1,-0.3 -0.944 68.1-156.8-137.7 113.6 65.1 7.8 15.0 288 290 A D T 3 S+ 0 0 123 -2,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.645 91.6 53.2 -80.4 -9.0 66.2 6.7 11.6 289 291 A T T 3 S+ 0 0 119 2,-0.1 2,-0.3 -5,-0.0 -1,-0.3 0.494 89.5 96.8 -94.6 -6.9 62.8 7.1 9.9 290 292 A L < - 0 0 6 -3,-1.6 2,-0.3 -7,-0.2 -21,-0.2 -0.636 63.5-153.1 -74.4 138.0 62.4 10.6 11.2 291 293 A T E -d 269 0A 67 -23,-1.9 -21,-2.3 -2,-0.3 2,-0.3 -0.817 14.1-178.9-107.7 159.5 63.4 13.3 8.7 292 294 A A E +d 270 0A 25 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.986 8.3 171.1-150.4 154.5 64.7 16.8 9.5 293 295 A S E -d 271 0A 44 -23,-2.0 -21,-2.4 -2,-0.3 2,-0.2 -0.967 30.6-107.2-161.9 161.1 65.8 20.0 7.8 294 296 A A E -d 272 0A 3 -2,-0.3 3,-0.2 -23,-0.2 -21,-0.2 -0.612 9.5-158.0 -96.9 150.1 66.6 23.5 8.7 295 297 A L + 0 0 2 -23,-2.7 -220,-0.1 -21,-0.2 -1,-0.1 -0.388 64.0 101.6-118.7 51.6 64.6 26.7 8.1 296 298 A N + 0 0 17 -20,-0.1 -276,-0.4 -23,-0.1 -279,-0.2 0.435 67.4 70.7-114.3 -0.1 67.3 29.4 8.3 297 299 A E S > S- 0 0 90 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.955 81.5-126.9-116.5 139.8 67.8 30.0 4.6 298 300 A P H > S+ 0 0 21 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.843 108.4 51.8 -50.7 -44.5 65.2 31.8 2.4 299 301 A S H > S+ 0 0 96 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.949 111.5 45.4 -60.4 -51.9 65.1 29.0 -0.2 300 302 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 113.1 53.1 -52.4 -44.8 64.5 26.3 2.4 301 303 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.947 112.2 43.3 -60.2 -50.4 61.9 28.6 4.0 302 304 A A H < S+ 0 0 56 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.923 111.5 54.3 -57.9 -46.8 60.1 29.0 0.7 303 305 A A H < S+ 0 0 90 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.2 44.7 -59.8 -33.2 60.4 25.3 -0.2 304 306 A A H < 0 0 25 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.858 360.0 360.0 -79.8 -35.9 58.7 24.4 3.2 305 307 A L < 0 0 80 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.818 360.0 360.0 -64.6 360.0 56.0 27.1 2.9