==== 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 16-FEB-06 2G2O . COMPND 2 MOLECULE: MALONYL COA-ACYL CARRIER PROTEIN TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.OEFNER . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.5 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 . 19 6.2 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 . 128 41.7 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 1 0 3 1 0 2 2 1 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 0 119 0, 0.0 267,-3.0 0, 0.0 268,-1.3 0.000 360.0 360.0 360.0 138.3 52.7 15.8 10.8 2 4 A F E -a 269 0A 35 265,-0.2 82,-2.8 266,-0.2 83,-0.6 -0.820 360.0-155.9-121.0 157.4 55.7 17.9 11.7 3 5 A A E -ab 270 85A 0 266,-2.3 268,-2.8 -2,-0.3 2,-0.5 -0.913 18.1-128.6-121.4 158.2 57.3 19.4 14.8 4 6 A F E -ab 271 86A 0 81,-1.9 83,-1.6 -2,-0.3 2,-0.4 -0.920 22.2-166.8-103.6 132.5 59.5 22.4 15.2 5 7 A V E -ab 272 87A 2 266,-2.9 268,-2.6 -2,-0.5 83,-0.2 -0.949 6.7-150.0-119.9 147.3 62.8 22.0 17.1 6 8 A F E - b 0 88A 0 81,-1.6 83,-2.7 -2,-0.4 86,-0.2 -0.946 11.7-136.2-125.7 121.3 65.0 24.9 18.3 7 9 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 88,-0.1 -0.266 14.9-157.1 -78.8 161.6 68.8 24.7 18.7 8 10 A G > - 0 0 6 1,-0.3 3,-1.6 83,-0.1 4,-0.2 -0.336 49.4 -15.3-117.2-158.5 71.0 26.0 21.6 9 11 A Q T 3 S+ 0 0 89 1,-0.2 -1,-0.3 80,-0.2 46,-0.1 -0.066 119.9 39.6 -48.6 138.4 74.5 27.1 22.1 10 12 A G T 3 S+ 0 0 57 -3,-0.1 -1,-0.2 268,-0.0 45,-0.0 0.035 93.5 84.0 108.4 -22.8 76.9 26.1 19.4 11 13 A S < + 0 0 8 -3,-1.6 -2,-0.1 265,-0.1 2,-0.1 0.567 67.1 102.4 -91.1 -9.8 74.5 26.8 16.5 12 14 A Q + 0 0 15 -4,-0.2 2,-0.3 42,-0.1 48,-0.0 -0.444 43.9 171.7 -73.4 145.9 75.3 30.5 16.3 13 15 A T > - 0 0 81 -2,-0.1 3,-2.0 33,-0.1 2,-0.2 -0.980 42.1 -97.0-147.6 148.7 77.6 31.9 13.6 14 16 A V T 3 S+ 0 0 63 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.461 114.8 24.8 -59.8 130.7 78.5 35.4 12.5 15 17 A G T > S+ 0 0 29 31,-3.3 3,-1.7 1,-0.3 -1,-0.3 0.430 86.1 159.2 91.0 0.7 76.3 36.3 9.6 16 18 A M T < + 0 0 9 -3,-2.0 -1,-0.3 30,-0.6 -4,-0.0 -0.275 66.1 11.9 -60.9 141.4 73.5 33.8 10.5 17 19 A L T 3> S+ 0 0 10 279,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.532 85.2 131.7 73.9 6.7 70.1 34.5 9.0 18 20 A A H <> S+ 0 0 38 -3,-1.7 4,-1.8 1,-0.2 5,-0.2 0.942 73.2 44.7 -55.0 -50.9 71.6 37.1 6.6 19 21 A D H > S+ 0 0 90 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.905 113.3 50.4 -62.2 -42.8 69.8 35.6 3.6 20 22 A M H > S+ 0 0 0 276,-0.4 4,-1.7 1,-0.2 3,-0.5 0.894 108.3 52.6 -64.3 -39.4 66.5 35.3 5.4 21 23 A A H < S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 7,-0.2 0.875 106.0 53.9 -66.0 -36.7 66.6 38.9 6.6 22 24 A A H < S+ 0 0 91 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.751 116.3 39.6 -67.6 -23.5 67.1 40.1 3.1 23 25 A S H < S+ 0 0 68 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.657 122.3 39.9 -96.2 -18.7 64.0 38.2 2.0 24 26 A Y >< - 0 0 35 -4,-1.7 3,-2.2 -5,-0.1 4,-0.5 -0.853 57.1-164.8-143.1 98.9 61.9 39.0 5.1 25 27 A P T 3> S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.730 86.0 74.9 -51.4 -26.0 61.8 42.4 6.8 26 28 A I H 3> S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.752 86.0 66.8 -63.9 -19.4 60.1 40.8 9.9 27 29 A V H <> S+ 0 0 0 -3,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.983 105.9 36.2 -66.2 -55.8 63.5 39.3 10.8 28 30 A E H > S+ 0 0 92 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.830 113.8 59.3 -69.2 -27.7 65.2 42.6 11.5 29 31 A E H X S+ 0 0 120 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.900 107.2 47.7 -61.8 -39.8 62.0 44.0 13.0 30 32 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 111.2 48.9 -67.2 -44.2 62.1 41.1 15.5 31 33 A F H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 11,-0.4 0.847 106.1 58.5 -64.8 -31.1 65.8 41.7 16.3 32 34 A A H X S+ 0 0 60 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.886 104.9 50.5 -66.5 -37.0 65.0 45.4 16.8 33 35 A E H X S+ 0 0 93 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.909 112.0 46.8 -61.8 -46.7 62.5 44.4 19.5 34 36 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 3,-0.5 0.927 108.9 55.1 -61.8 -44.3 65.1 42.2 21.2 35 37 A S H X>S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.3 5,-0.9 0.873 103.3 55.3 -61.4 -35.9 67.7 45.0 21.0 36 38 A A H <5S+ 0 0 87 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.878 110.8 45.8 -62.0 -36.8 65.3 47.4 22.8 37 39 A A H <5S+ 0 0 22 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.837 117.9 42.8 -72.8 -32.9 65.1 44.9 25.6 38 40 A L H <5S- 0 0 19 -4,-2.0 -2,-0.2 2,-0.3 -1,-0.2 0.766 101.5-125.2 -88.7 -29.7 68.8 44.3 25.8 39 41 A G T <5S+ 0 0 70 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.671 81.4 72.5 83.3 19.1 70.1 47.9 25.4 40 42 A Y S + 0 0 95 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.649 38.6 179.0 -83.7 97.6 72.0 46.2 18.7 42 44 A L H > S+ 0 0 0 -2,-1.2 4,-2.3 -11,-0.4 -1,-0.2 0.850 79.3 55.2 -67.5 -37.9 71.6 42.4 18.7 43 45 A W H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.952 107.6 49.8 -60.8 -46.8 71.3 42.2 14.9 44 46 A A H >>S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.6 0.919 108.7 53.3 -60.1 -43.3 74.6 44.0 14.5 45 47 A L H X5S+ 0 0 18 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.937 110.9 46.0 -53.1 -49.6 76.2 41.6 16.9 46 48 A T H <5S+ 0 0 0 -4,-2.3 -31,-3.3 1,-0.2 -30,-0.6 0.790 119.8 40.0 -66.9 -26.7 75.0 38.6 14.9 47 49 A Q H <5S+ 0 0 48 -4,-1.8 -1,-0.2 -33,-0.2 -2,-0.2 0.770 129.4 24.4 -95.8 -27.7 76.1 40.1 11.6 48 50 A Q H <5S+ 0 0 154 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.636 89.8 152.9-113.6 -23.2 79.4 41.7 12.5 49 51 A G << - 0 0 14 -4,-2.1 -1,-0.2 -5,-0.6 2,-0.2 -0.482 55.0-133.8 71.1-142.3 80.6 39.8 15.5 50 52 A P >> - 0 0 85 0, 0.0 4,-2.0 0, 0.0 3,-0.9 0.536 31.2-129.4 -70.6 170.0 83.3 39.3 16.4 51 53 A A H 3> S+ 0 0 52 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.861 105.8 61.5 -53.7 -38.6 82.7 35.6 17.0 52 54 A E H 34 S+ 0 0 146 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.852 107.5 43.8 -65.0 -35.7 84.2 35.9 20.5 53 55 A E H X4 S+ 0 0 61 -3,-0.9 3,-1.1 1,-0.2 -1,-0.2 0.908 112.4 51.5 -69.1 -45.8 81.4 38.3 21.5 54 56 A L H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.764 108.4 54.4 -60.9 -23.6 78.7 36.2 19.8 55 57 A N T 3< S+ 0 0 78 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.507 76.5 108.2 -98.9 -7.2 79.9 33.2 21.7 56 58 A K S X> S- 0 0 65 -3,-1.1 4,-2.9 -4,-0.3 3,-2.6 -0.643 75.7-131.2 -71.0 125.2 79.7 34.7 25.2 57 59 A T H 3> S+ 0 0 10 -2,-0.4 4,-2.5 1,-0.3 59,-0.2 0.754 101.2 56.5 -66.6 -32.6 76.7 32.8 26.6 58 60 A W H 34 S+ 0 0 65 58,-0.3 -1,-0.3 1,-0.2 59,-0.2 0.589 120.0 35.4 -73.5 -8.7 74.7 35.8 27.9 59 61 A Q H <> S+ 0 0 30 -3,-2.6 4,-1.8 -6,-0.2 -2,-0.2 0.688 113.7 56.8-106.7 -36.3 74.9 37.2 24.4 60 62 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.921 103.7 55.7 -55.2 -45.7 74.6 33.9 22.6 61 63 A Q H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.952 110.2 40.7 -64.6 -52.5 71.4 33.0 24.3 62 64 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.863 114.5 55.6 -60.0 -34.2 69.4 36.1 23.3 63 65 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.909 112.3 42.0 -63.2 -41.1 70.9 36.0 19.8 64 66 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.905 113.5 50.2 -75.3 -43.4 69.7 32.4 19.4 65 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.886 113.6 47.2 -60.9 -41.6 66.2 32.9 20.9 66 68 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.913 110.0 51.9 -68.6 -44.0 65.7 35.9 18.7 67 69 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.930 113.2 46.0 -56.2 -46.0 66.9 34.2 15.6 68 70 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.917 112.9 48.0 -65.0 -44.4 64.5 31.3 16.3 69 71 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.900 109.7 54.4 -67.1 -37.9 61.5 33.6 17.0 70 72 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.925 109.3 47.1 -57.8 -46.5 62.3 35.5 13.9 71 73 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.900 111.0 51.5 -65.5 -40.1 62.1 32.4 11.8 72 74 A Y H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.906 109.0 51.8 -59.1 -41.2 58.9 31.3 13.5 73 75 A R H X S+ 0 0 69 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.875 108.3 50.4 -67.4 -37.3 57.4 34.7 12.7 74 76 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.959 110.5 50.3 -60.5 -51.4 58.4 34.4 9.0 75 77 A W H <>S+ 0 0 9 -4,-2.5 5,-2.7 1,-0.2 -2,-0.2 0.932 115.6 41.9 -49.3 -51.6 56.7 30.9 8.9 76 78 A Q H ><5S+ 0 0 103 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.908 112.3 53.5 -69.3 -42.4 53.6 32.3 10.5 77 79 A Q H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.835 107.1 52.2 -59.3 -36.1 53.5 35.5 8.4 78 80 A Q T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.310 128.5 -95.4 -91.4 9.0 53.8 33.5 5.2 79 81 A G T < 5 + 0 0 60 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.524 67.5 158.9 98.7 9.2 50.8 31.4 6.2 80 82 A G < - 0 0 14 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.328 39.5-118.8 -65.4 144.2 52.5 28.3 7.7 81 83 A K - 0 0 168 1,-0.1 -1,-0.1 -2,-0.0 -5,-0.0 -0.530 33.5 -95.7 -80.8 150.9 50.5 26.2 10.1 82 84 A A - 0 0 49 -2,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.314 46.1-108.3 -58.9 144.7 51.5 25.7 13.7 83 85 A P - 0 0 6 0, 0.0 -80,-0.2 0, 0.0 3,-0.1 -0.308 19.6-119.1 -70.8 162.0 53.5 22.5 14.3 84 86 A A S S- 0 0 35 -82,-2.8 2,-0.3 1,-0.2 -81,-0.2 0.797 91.9 -6.3 -71.4 -28.4 52.0 19.5 16.1 85 87 A M E -b 3 0A 16 -83,-0.6 -81,-1.9 139,-0.1 2,-0.3 -0.974 64.9-147.9-158.6 158.8 54.6 19.8 18.8 86 88 A M E +bc 4 226A 0 139,-2.6 141,-2.5 -2,-0.3 2,-0.3 -0.976 14.4 169.6-132.1 156.8 57.8 21.7 19.8 87 89 A A E -b 5 0A 0 -83,-1.6 -81,-1.6 -2,-0.3 2,-0.3 -0.960 11.2-161.9-153.5 155.2 60.9 21.0 21.7 88 90 A G E -b 6 0A 0 139,-0.5 2,-0.9 -2,-0.3 5,-0.3 -0.993 25.9-112.7-143.0 151.2 64.2 22.9 22.0 89 91 A H S > S- 0 0 20 -83,-2.7 3,-2.0 -2,-0.3 2,-0.6 -0.686 72.0 -62.9 -90.0 103.5 67.7 22.1 23.2 90 92 A S T >> S+ 0 0 15 -2,-0.9 3,-1.9 1,-0.3 4,-0.6 -0.449 142.4 24.4 61.7-105.2 68.5 23.9 26.4 91 93 A L H >> S+ 0 0 3 -2,-0.6 3,-1.6 1,-0.3 4,-1.1 0.899 118.2 68.4 -49.5 -40.5 68.3 27.5 25.4 92 94 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.3 -1,-0.3 0.730 84.8 68.5 -53.0 -26.7 66.0 26.2 22.6 93 95 A E H <> S+ 0 0 2 -3,-1.9 4,-2.2 -5,-0.3 -1,-0.3 0.893 98.4 50.7 -63.1 -37.3 63.4 25.4 25.2 94 96 A Y H S+ 0 0 3 -4,-2.2 5,-2.7 1,-0.2 6,-1.0 0.845 109.5 48.6 -67.0 -33.9 58.0 28.4 24.9 98 100 A V H ><5S+ 0 0 18 -4,-2.2 3,-1.6 4,-0.2 -1,-0.2 0.938 112.6 47.6 -65.5 -46.5 57.9 31.9 23.2 99 101 A C H 3<5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.786 109.7 53.9 -69.6 -24.5 56.6 30.4 20.0 100 102 A A T 3<5S- 0 0 0 -4,-2.0 123,-2.3 -5,-0.2 124,-0.3 0.352 118.7-113.7 -90.0 4.0 54.0 28.4 21.9 101 103 A G T < 5S+ 0 0 34 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.628 83.9 118.2 81.3 14.8 52.8 31.6 23.5 102 104 A V S - 0 0 83 114,-0.5 4,-2.2 -2,-0.4 5,-0.2 -0.336 31.3-122.7 -57.4 141.1 56.3 37.1 26.1 105 107 A F H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.935 108.9 44.4 -58.6 -52.7 59.1 37.6 23.6 106 108 A A H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 112.7 53.2 -62.8 -41.4 60.8 40.6 25.3 107 109 A D H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 109.7 49.1 -53.2 -44.3 60.5 38.9 28.7 108 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.880 106.8 55.0 -69.2 -38.0 62.2 35.8 27.3 109 111 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.940 113.0 41.8 -58.7 -48.1 65.0 37.9 25.8 110 112 A R H X S+ 0 0 104 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.898 113.3 55.5 -65.6 -40.5 65.8 39.4 29.2 111 113 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.920 109.1 44.2 -57.1 -49.1 65.3 36.1 30.9 112 114 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.813 109.0 57.2 -77.4 -25.9 67.9 34.2 28.8 113 115 A E H X S+ 0 0 29 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.964 111.8 42.9 -59.8 -49.7 70.4 37.1 29.1 114 116 A M H X S+ 0 0 47 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.902 110.0 57.3 -63.9 -40.4 70.1 36.7 32.8 115 117 A R H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.940 107.7 47.8 -51.0 -49.5 70.3 32.9 32.5 116 118 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -58,-0.3 0.867 111.4 49.7 -63.6 -39.1 73.6 33.2 30.6 117 119 A K H X S+ 0 0 95 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.931 111.3 48.5 -64.9 -45.9 75.0 35.6 33.3 118 120 A F H X S+ 0 0 30 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.905 113.9 48.3 -59.7 -40.9 74.0 33.2 36.1 119 121 A M H >< S+ 0 0 12 -4,-2.5 3,-1.2 -5,-0.3 4,-0.4 0.937 109.6 51.8 -63.2 -46.3 75.6 30.4 34.2 120 122 A Q H 3< S+ 0 0 52 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.844 112.8 44.5 -61.5 -35.5 78.8 32.3 33.5 121 123 A E H 3< S+ 0 0 115 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.484 84.8 98.4 -89.1 -3.6 79.2 33.2 37.2 122 124 A A S << S+ 0 0 35 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.898 95.7 3.5 -58.0 -50.5 78.4 29.7 38.6 123 125 A V S S- 0 0 26 -4,-0.4 -1,-0.1 -3,-0.3 3,-0.1 -0.961 88.8 -88.7-133.1 156.5 82.1 28.6 39.0 124 126 A P >> - 0 0 91 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.313 55.0 -93.0 -54.8 137.2 85.5 30.2 38.5 125 127 A E T 34 S+ 0 0 145 1,-0.3 71,-0.0 2,-0.1 -5,-0.0 -0.299 117.8 32.6 -41.3 132.0 87.0 30.0 35.0 126 128 A G T 34 S+ 0 0 62 2,-0.2 -1,-0.3 -3,-0.1 45,-0.1 0.351 97.4 88.9 96.9 -5.7 89.1 26.8 35.1 127 129 A T T <4 S+ 0 0 35 -3,-2.2 44,-2.7 43,-0.1 45,-0.3 0.847 83.9 48.3 -88.6 -40.3 86.9 25.0 37.6 128 130 A G E < +E 170 0B 10 -4,-0.5 2,-0.3 42,-0.3 67,-0.3 -0.488 57.4 180.0-101.8 167.2 84.6 23.3 35.2 129 131 A A E -E 169 0B 20 40,-2.1 40,-1.7 -2,-0.2 2,-0.3 -0.976 13.2-151.3-154.8 156.0 84.8 21.2 32.0 130 132 A M E -E 168 0B 29 62,-0.4 62,-2.0 -2,-0.3 2,-0.3 -0.935 13.0-171.0-119.4 155.1 82.6 19.4 29.4 131 133 A A E -EF 167 191B 6 36,-2.7 36,-3.0 -2,-0.3 2,-0.6 -0.991 20.9-131.4-141.6 140.0 83.5 16.4 27.3 132 134 A A E -EF 166 190B 25 58,-2.7 58,-2.2 -2,-0.3 2,-0.7 -0.794 18.5-156.1 -84.3 119.4 81.8 14.7 24.4 133 135 A I E -EF 165 189B 0 32,-3.9 32,-2.1 -2,-0.6 2,-0.5 -0.872 14.2-166.8 -95.6 117.4 81.6 10.9 24.8 134 136 A I E +EF 164 188B 48 54,-2.4 53,-2.4 -2,-0.7 54,-1.6 -0.908 59.7 7.8-112.3 123.6 81.3 9.2 21.4 135 137 A G S S+ 0 0 46 28,-1.7 2,-0.4 -2,-0.5 -1,-0.2 0.765 92.7 110.7 88.9 28.3 80.4 5.6 20.9 136 138 A L - 0 0 8 -3,-0.3 27,-0.5 50,-0.1 -1,-0.3 -0.996 69.1-107.3-132.2 143.1 79.4 4.4 24.3 137 139 A D > - 0 0 85 -2,-0.4 4,-1.6 1,-0.1 3,-0.2 -0.237 30.4-111.6 -70.7 154.7 75.9 3.5 25.6 138 140 A D H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.872 114.2 49.9 -51.6 -44.7 74.0 5.9 27.9 139 141 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 106.8 52.2 -69.9 -42.7 74.2 3.5 30.9 140 142 A S H > S+ 0 0 40 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.828 110.0 51.0 -62.2 -33.9 77.9 2.8 30.7 141 143 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.936 106.9 51.7 -71.2 -47.5 78.6 6.5 30.7 142 144 A A H X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.883 112.7 48.1 -54.4 -39.3 76.5 7.2 33.8 143 145 A K H X S+ 0 0 117 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.913 108.1 52.8 -69.4 -44.2 78.4 4.4 35.5 144 146 A A H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.873 110.5 49.6 -56.2 -39.0 81.8 5.7 34.5 145 147 A C H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.905 108.3 52.1 -70.9 -42.9 80.8 9.1 35.9 146 148 A E H >X S+ 0 0 142 -4,-2.1 4,-0.7 1,-0.2 3,-0.6 0.956 112.6 45.1 -52.7 -52.8 79.7 7.6 39.2 147 149 A E H 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 116.2 47.6 -63.2 -30.5 83.0 5.8 39.6 148 150 A A H 3< S+ 0 0 8 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.677 90.8 79.6 -87.1 -21.2 84.9 8.9 38.6 149 151 A A H X< + 0 0 18 -4,-1.5 3,-2.3 -3,-0.6 -1,-0.2 0.927 57.3 178.4 -60.9 -52.7 83.2 11.5 40.8 150 152 A E T 3< S- 0 0 151 -4,-0.7 3,-0.1 1,-0.3 -1,-0.1 0.884 83.0 -41.6 50.1 44.6 85.0 10.7 44.1 151 153 A G T 3 S+ 0 0 87 1,-0.4 -1,-0.3 22,-0.0 2,-0.2 0.360 126.9 94.6 84.1 -6.6 83.2 13.5 45.9 152 154 A Q S < S- 0 0 58 -3,-2.3 2,-0.5 -4,-0.1 -1,-0.4 -0.417 83.3 -97.8 -89.5-175.0 83.5 15.9 43.0 153 155 A V + 0 0 40 -2,-0.2 17,-2.0 -3,-0.1 2,-0.3 -0.926 51.6 143.7-111.3 126.5 80.7 16.4 40.5 154 156 A V E +G 169 0B 10 -2,-0.5 15,-0.2 15,-0.2 -5,-0.2 -0.906 15.4 143.4-153.4 137.3 80.6 14.8 37.0 155 157 A S E -G 168 0B 33 13,-2.0 13,-2.0 -2,-0.3 2,-0.2 -0.986 55.4 -76.3-159.4 161.9 77.6 13.5 35.2 156 158 A P E +G 167 0B 15 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.490 44.4 173.2 -60.0 133.6 76.0 13.2 31.8 157 159 A V E + 0 0 0 9,-3.5 96,-2.7 1,-0.3 2,-0.4 0.607 62.7 35.9-123.2 -22.7 74.6 16.6 30.8 158 160 A N E -Gh 166 253B 23 8,-1.9 8,-2.3 94,-0.2 2,-0.8 -0.957 53.2-169.6-131.7 118.7 73.4 16.1 27.2 159 161 A F E +Gh 165 254B 22 94,-2.8 97,-2.5 -2,-0.4 96,-0.7 -0.880 25.4 160.8 -95.5 98.9 71.9 13.0 25.8 160 162 A N E - 0 0 24 4,-1.7 5,-0.2 -2,-0.8 -1,-0.2 0.861 60.1 -29.2 -97.7 -41.2 72.0 14.1 22.2 161 163 A S E > S-G 164 0B 0 3,-1.8 3,-2.9 -3,-0.2 -1,-0.4 -0.946 82.8 -67.7-158.5 164.0 71.7 10.8 20.4 162 164 A P T 3 S+ 0 0 70 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 -0.422 129.1 17.4 -46.3 111.2 72.6 7.1 20.9 163 165 A G T 3 S+ 0 0 19 -27,-0.5 -28,-1.7 -2,-0.3 2,-0.3 0.482 112.4 84.9 96.5 6.0 76.4 7.3 20.9 164 166 A Q E < +EG 134 161B 60 -3,-2.9 -3,-1.8 -30,-0.2 -4,-1.7 -0.832 50.7 149.9-141.7 102.8 76.7 11.0 21.4 165 167 A V E -EG 133 159B 2 -32,-2.1 -32,-3.9 -2,-0.3 2,-0.4 -0.993 31.6-145.9-137.2 134.4 76.6 12.2 25.0 166 168 A V E -EG 132 158B 16 -8,-2.3 -9,-3.5 -2,-0.4 -8,-1.9 -0.869 14.3-167.7-100.0 136.5 78.2 15.2 26.7 167 169 A I E +EG 131 156B 0 -36,-3.0 -36,-2.7 -2,-0.4 2,-0.3 -0.838 10.9 171.5-113.2 161.0 79.4 15.0 30.3 168 170 A A E +EG 130 155B 0 -13,-2.0 -13,-2.0 -2,-0.3 2,-0.3 -0.976 17.9 102.9-162.1 168.9 80.4 17.9 32.5 169 171 A G E S+EG 129 154B 0 -40,-1.7 -40,-2.1 -2,-0.3 -15,-0.2 -0.979 75.0 0.7 147.9-161.2 81.3 18.9 36.0 170 172 A H E > S-E 128 0B 49 -17,-2.0 4,-2.3 -2,-0.3 3,-0.4 -0.387 72.6-119.7 -61.7 136.6 84.5 19.7 37.9 171 173 A K H > S+ 0 0 77 -44,-2.7 4,-1.9 1,-0.2 5,-0.1 0.849 109.0 49.4 -54.1 -44.1 87.5 19.5 35.5 172 174 A E H > S+ 0 0 78 -45,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.895 112.4 48.1 -63.2 -41.3 89.4 16.7 37.4 173 175 A A H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.865 108.9 53.5 -69.1 -36.6 86.3 14.5 37.6 174 176 A V H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.887 108.2 51.5 -65.1 -36.9 85.6 15.0 33.9 175 177 A E H X S+ 0 0 110 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.936 112.5 44.9 -62.3 -47.2 89.1 13.9 33.1 176 178 A R H X S+ 0 0 93 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.893 114.4 48.8 -62.8 -41.7 88.7 10.8 35.2 177 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.932 108.8 53.7 -66.5 -46.7 85.3 10.1 33.7 178 180 A G H X S+ 0 0 9 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.940 110.0 47.1 -47.4 -54.3 86.6 10.6 30.2 179 181 A A H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.899 111.4 51.3 -58.6 -42.0 89.4 8.0 30.9 180 182 A A H X S+ 0 0 25 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.912 107.3 53.0 -63.0 -42.7 86.9 5.6 32.4 181 183 A C H X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 4,-0.7 0.919 108.9 49.3 -60.7 -45.5 84.6 5.9 29.3 182 184 A K H ><5S+ 0 0 113 -4,-2.2 3,-1.2 3,-0.2 -1,-0.2 0.926 110.1 51.5 -54.4 -47.1 87.5 5.1 27.0 183 185 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.3 53.4 -61.8 -30.5 88.3 2.1 29.2 184 186 A A H 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.531 134.4 -88.7 -87.0 -7.8 84.7 1.0 28.9 185 187 A G T <<5 + 0 0 55 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.2 0.524 68.2 159.0 121.2 13.3 85.0 1.2 25.1 186 188 A A < - 0 0 7 -5,-2.6 -1,-0.2 -6,-0.1 -51,-0.2 -0.345 37.6-141.8 -62.0 143.3 84.1 4.7 24.1 187 189 A K S S+ 0 0 134 -53,-2.4 2,-0.3 1,-0.3 -52,-0.2 0.874 80.7 2.0 -77.4 -38.9 85.5 5.7 20.6 188 190 A R E -F 134 0B 116 -54,-1.6 -54,-2.4 2,-0.0 -1,-0.3 -0.988 46.1-166.9-141.1 153.8 86.3 9.2 21.7 189 191 A A E -F 133 0B 29 -2,-0.3 -56,-0.2 -56,-0.2 -7,-0.0 -0.744 29.2-171.6-132.1 91.9 86.2 11.4 24.8 190 192 A L E -F 132 0B 84 -58,-2.2 -58,-2.7 -2,-0.2 2,-0.2 -0.721 19.3-131.9 -99.6 123.1 86.8 14.8 23.4 191 193 A P E -F 131 0B 113 0, 0.0 -60,-0.2 0, 0.0 -1,-0.0 -0.506 28.0-145.1 -73.4 135.4 87.3 17.9 25.6 192 194 A L - 0 0 49 -62,-2.0 2,-3.2 -2,-0.2 -62,-0.4 -0.625 27.4-101.5-108.3 157.5 85.2 20.9 24.6 193 195 A P S S+ 0 0 141 0, 0.0 -62,-0.1 0, 0.0 -1,-0.0 -0.313 77.4 139.7 -66.9 60.9 85.6 24.7 24.6 194 196 A V + 0 0 36 -2,-3.2 2,-0.9 -64,-0.2 -65,-0.1 0.966 27.1 156.0 -82.1 -91.8 83.5 24.7 27.7 195 197 A S + 0 0 37 -67,-0.3 -1,-0.2 -3,-0.2 -67,-0.1 -0.880 70.0 69.8 83.3 -99.7 84.1 26.8 30.8 196 198 A V S S- 0 0 17 -2,-0.9 2,-1.7 1,-0.1 -76,-0.1 -0.299 76.0-147.6 -54.4 113.7 80.5 26.7 32.0 197 199 A P > - 0 0 0 0, 0.0 3,-0.8 0, 0.0 5,-0.2 -0.569 29.8-164.9 -82.6 74.1 79.7 23.1 33.2 198 200 A S T 3 + 0 0 20 -2,-1.7 52,-0.1 1,-0.2 3,-0.1 -0.208 55.0 16.5 -63.6 150.1 76.0 23.3 32.2 199 201 A H T 3 S+ 0 0 6 50,-1.5 51,-0.2 1,-0.2 2,-0.2 0.663 98.8 101.3 66.7 24.7 73.2 20.9 33.3 200 202 A C S X S- 0 0 2 -3,-0.8 3,-2.4 49,-0.4 -1,-0.2 -0.770 91.8 -86.0-125.4-179.8 75.0 19.3 36.3 201 203 A A G > S+ 0 0 55 1,-0.3 3,-1.9 -2,-0.2 49,-0.1 0.701 116.9 74.3 -61.5 -21.9 74.8 19.9 40.0 202 204 A L G 3 S+ 0 0 29 1,-0.3 -1,-0.3 -5,-0.2 4,-0.2 0.691 90.9 59.9 -64.8 -15.8 77.3 22.7 39.9 203 205 A M G <> S+ 0 0 0 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.348 74.2 100.0 -93.5 5.4 74.5 24.8 38.4 204 206 A K H <> S+ 0 0 80 -3,-1.9 4,-2.2 1,-0.2 3,-0.5 0.975 82.3 46.6 -57.2 -59.6 72.1 24.5 41.3 205 207 A P H > S+ 0 0 83 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.772 113.1 51.2 -58.6 -29.2 72.9 27.9 42.9 206 208 A A H > S+ 0 0 3 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.872 108.4 52.1 -67.0 -40.7 72.5 29.5 39.5 207 209 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -3,-0.5 -1,-0.2 0.865 105.5 55.2 -62.2 -35.9 69.2 27.7 39.1 208 210 A D H X S+ 0 0 80 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.861 110.2 45.5 -68.7 -36.4 68.1 29.1 42.5 209 211 A K H X S+ 0 0 105 -4,-1.2 4,-1.4 -5,-0.2 3,-0.3 0.896 111.7 52.5 -66.9 -43.6 68.9 32.6 41.2 210 212 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.898 102.9 58.5 -60.3 -40.0 67.1 31.9 37.9 211 213 A A H X S+ 0 0 33 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.873 101.9 55.2 -59.1 -37.6 64.0 30.7 39.8 212 214 A V H X S+ 0 0 85 -4,-1.0 4,-0.6 -3,-0.3 -1,-0.2 0.910 112.3 42.2 -61.5 -43.9 63.8 34.1 41.4 213 215 A E H >< S+ 0 0 39 -4,-1.4 3,-0.9 1,-0.2 4,-0.4 0.879 110.5 55.2 -71.7 -40.0 63.7 35.8 38.0 214 216 A L H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.861 100.6 61.7 -60.7 -33.8 61.3 33.3 36.4 215 217 A A H 3< S+ 0 0 68 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.780 97.6 57.5 -65.5 -26.7 58.8 34.0 39.2 216 218 A K T << S+ 0 0 142 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.3 0.632 95.6 82.7 -75.7 -14.3 58.6 37.7 38.1 217 219 A I S < S- 0 0 25 -3,-1.5 2,-0.2 -4,-0.4 -114,-0.0 -0.773 81.8-119.1-105.6 133.9 57.5 36.7 34.6 218 220 A T - 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0 0 8 5,-2.4 4,-1.2 -2,-0.6 5,-0.1 -0.363 4.6-133.8 -85.2 155.9 60.6 19.6 28.1 229 231 A N T 4 S+ 0 0 0 2,-0.2 25,-2.1 1,-0.2 -1,-0.1 0.798 98.2 49.6 -73.1 -34.1 64.2 18.7 28.4 230 232 A V T 4 S+ 0 0 15 14,-0.2 -1,-0.2 23,-0.2 15,-0.0 0.908 130.5 10.4 -82.2 -41.7 64.3 17.7 32.0 231 233 A D T 4 S- 0 0 62 2,-0.2 -2,-0.2 13,-0.0 -1,-0.1 0.471 90.5-122.2-115.0 -7.7 61.4 15.3 32.3 232 234 A V < + 0 0 26 -4,-1.2 2,-0.3 1,-0.2 -3,-0.1 0.958 69.3 136.9 54.9 51.0 60.4 14.7 28.6 233 235 A K - 0 0 102 -5,-0.1 -5,-2.4 -7,-0.1 2,-1.1 -0.965 61.5-132.5-129.2 145.4 56.9 16.0 29.5 234 236 A C - 0 0 39 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.2 -0.731 35.3-172.2 -94.5 85.4 54.4 18.4 27.9 235 237 A E + 0 0 43 -2,-1.1 -9,-0.4 -9,-0.5 -2,-0.0 -0.501 19.7 177.1 -77.5 148.4 53.5 20.5 30.9 236 238 A T + 0 0 95 -2,-0.2 2,-0.3 -15,-0.1 -1,-0.1 0.552 48.3 107.2-121.9 -26.0 50.7 23.0 30.5 237 239 A N >> - 0 0 82 1,-0.2 4,-2.5 -16,-0.1 3,-1.0 -0.431 67.4-142.7 -59.3 115.7 50.6 24.4 34.1 238 240 A G H 3> S+ 0 0 15 -2,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.893 103.9 43.8 -49.6 -42.5 52.1 27.9 33.6 239 241 A D H 3> S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.705 110.0 55.7 -80.0 -21.3 53.8 27.5 37.0 240 242 A A H <> S+ 0 0 22 -3,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.791 107.9 48.5 -76.8 -32.0 54.8 23.9 36.2 241 243 A I H >X S+ 0 0 11 -4,-2.5 4,-1.5 2,-0.2 3,-0.8 0.958 110.6 50.2 -68.5 -53.0 56.6 25.0 33.0 242 244 A R H >X S+ 0 0 38 -4,-1.9 4,-1.2 -5,-0.3 3,-0.8 0.933 110.9 51.3 -47.6 -49.1 58.4 27.7 34.9 243 245 A D H 3X S+ 0 0 91 -4,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.801 104.4 56.1 -62.4 -29.9 59.3 25.1 37.4 244 246 A A H X S+ 0 0 20 -4,-1.2 3,-1.1 1,-0.2 4,-0.6 0.973 112.5 42.4 -59.0 -55.7 64.7 25.7 37.0 247 249 A R H >X S+ 0 0 71 -4,-1.5 3,-0.8 1,-0.3 4,-0.7 0.827 104.3 68.7 -65.1 -28.6 65.5 22.0 37.1 248 250 A Q H >< S+ 0 0 1 -4,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.874 91.4 61.7 -50.4 -40.1 66.6 22.1 33.5 249 251 A L H << S+ 0 0 0 -3,-1.1 -50,-1.5 -4,-1.0 -49,-0.4 0.810 114.9 28.1 -68.6 -29.5 69.6 24.2 34.5 250 252 A Y H << S+ 0 0 57 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.246 112.1 71.5-119.5 16.2 71.2 21.6 36.7 251 253 A N S << S- 0 0 51 -3,-0.8 -51,-0.1 -4,-0.7 -94,-0.1 -0.885 90.4 -84.3-127.2 159.2 69.9 18.3 35.2 252 254 A P - 0 0 31 0, 0.0 2,-0.6 0, 0.0 -94,-0.2 -0.261 38.0-116.3 -65.7 145.2 70.7 16.6 31.9 253 255 A V E -h 158 0B 0 -96,-2.7 -94,-2.8 1,-0.1 2,-1.5 -0.742 21.3-152.4 -78.9 117.5 69.1 17.5 28.6 254 256 A Q E > +h 159 0B 34 -25,-2.1 4,-1.7 -2,-0.6 5,-0.1 -0.476 40.2 145.9 -92.4 65.6 67.1 14.5 27.5 255 257 A W H > + 0 0 1 -2,-1.5 4,-2.6 -96,-0.7 5,-0.3 0.945 67.4 53.2 -72.3 -46.1 67.2 15.2 23.8 256 258 A T H > S+ 0 0 5 -97,-2.5 4,-2.0 -3,-0.3 -1,-0.2 0.940 114.3 41.8 -51.2 -52.5 67.4 11.6 22.6 257 259 A K H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 111.4 56.8 -70.4 -29.1 64.3 10.6 24.6 258 260 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.902 108.4 46.3 -66.5 -42.0 62.5 13.9 23.6 259 261 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.885 112.7 50.5 -67.8 -37.6 63.0 13.1 19.9 260 262 A E H X S+ 0 0 90 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.918 109.5 52.7 -60.6 -42.1 61.8 9.5 20.5 261 263 A Y H X S+ 0 0 79 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.914 107.3 49.4 -64.7 -46.1 58.8 10.9 22.4 262 264 A M H ><>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 3,-0.6 0.917 111.0 50.7 -58.2 -43.4 57.7 13.2 19.5 263 265 A A H ><5S+ 0 0 29 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.918 106.0 56.2 -61.8 -40.5 58.0 10.2 17.1 264 266 A A H 3<5S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 102.4 56.1 -62.0 -25.7 55.8 8.2 19.4 265 267 A Q T <<5S- 0 0 99 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.448 130.4 -93.9 -87.8 -0.2 53.1 10.8 19.2 266 268 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.441 71.2 153.3 106.9 4.2 53.1 10.5 15.4 267 269 A V < + 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 -265,-0.2 -0.438 15.8 178.0 -64.3 133.5 55.5 13.2 14.4 268 270 A E + 0 0 129 -267,-3.0 23,-1.7 1,-0.3 2,-0.4 0.673 61.0 32.6-110.1 -26.4 57.1 12.4 11.0 269 271 A H E -ad 2 291A 34 -268,-1.3 -266,-2.3 21,-0.2 2,-0.5 -0.998 60.8-151.6-138.4 136.8 59.4 15.4 10.3 270 272 A L E -ad 3 292A 1 21,-2.1 23,-2.0 -2,-0.4 2,-0.5 -0.958 8.6-158.9-105.5 123.9 61.4 17.8 12.4 271 273 A Y E -ad 4 293A 18 -268,-2.8 -266,-2.9 -2,-0.5 2,-0.8 -0.900 15.2-138.8 -95.9 127.4 62.0 21.3 11.1 272 274 A E E -ad 5 294A 0 21,-2.5 23,-2.5 -2,-0.5 2,-1.3 -0.778 14.5-163.9 -89.1 108.4 64.9 23.0 12.8 273 275 A V + 0 0 2 -268,-2.6 -201,-0.2 -2,-0.8 -202,-0.1 -0.649 59.8 54.8 -99.5 76.1 63.8 26.6 13.4 274 276 A G S S- 0 0 0 -2,-1.3 21,-0.3 2,-0.2 -2,-0.1 -0.948 95.7 -57.2 179.1 175.6 67.2 28.2 14.0 275 277 A P S S+ 0 0 3 0, 0.0 3,-0.3 0, 0.0 -263,-0.0 -0.353 95.7 16.7 -68.6 154.1 70.6 28.7 12.5 276 278 A G S S- 0 0 32 1,-0.2 -2,-0.2 2,-0.1 20,-0.1 -0.126 80.3 -98.9 82.2-175.4 72.7 25.7 11.6 277 279 A K S > S+ 0 0 149 17,-0.1 4,-2.0 2,-0.1 -1,-0.2 -0.058 75.2 121.2-136.6 30.8 71.8 22.0 11.1 278 280 A V H > S+ 0 0 77 -3,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.958 81.2 38.0 -66.0 -52.4 72.8 20.6 14.5 279 281 A L H > S+ 0 0 4 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.856 112.7 59.8 -70.2 -33.9 69.5 19.1 15.5 280 282 A T H >> S+ 0 0 29 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.936 105.3 49.1 -53.2 -47.7 68.7 18.1 12.0 281 283 A G H 3< S+ 0 0 43 -4,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.806 108.0 53.2 -67.6 -31.4 71.8 15.9 12.0 282 284 A L H 3X S+ 0 0 14 -4,-1.3 4,-1.3 1,-0.2 3,-0.4 0.763 91.7 80.7 -68.2 -26.0 70.9 14.2 15.3 283 285 A T H XX S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.8 3,-0.8 0.881 92.2 39.9 -63.6 -51.8 67.5 13.2 14.1 284 286 A K H 3< S+ 0 0 124 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.776 109.9 62.5 -70.6 -23.8 68.1 10.1 12.0 285 287 A R H 34 S+ 0 0 160 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.823 111.3 38.9 -66.9 -29.9 70.7 8.9 14.6 286 288 A I H << S+ 0 0 17 -4,-1.3 2,-0.4 -3,-0.8 -2,-0.2 0.920 138.3 9.1 -84.3 -50.7 67.9 8.8 17.1 287 289 A V >< - 0 0 30 -4,-2.4 3,-1.7 -5,-0.1 -1,-0.3 -0.945 68.5-157.2-133.8 109.2 65.0 7.5 15.0 288 290 A D T 3 S+ 0 0 126 -2,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.692 91.3 53.3 -70.4 -14.8 66.2 6.3 11.6 289 291 A T T 3 S+ 0 0 118 2,-0.1 -1,-0.3 -5,-0.0 2,-0.2 0.487 88.7 95.5 -97.3 -7.2 62.8 6.7 10.0 290 292 A L < - 0 0 6 -3,-1.7 2,-0.3 -7,-0.2 -21,-0.2 -0.542 64.0-149.9 -72.4 148.7 62.3 10.3 11.1 291 293 A T E -d 269 0A 61 -23,-1.7 -21,-2.1 -2,-0.2 2,-0.3 -0.870 15.3-177.0-113.9 159.3 63.2 13.0 8.6 292 294 A A E +d 270 0A 21 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.992 9.6 168.1-151.7 153.8 64.5 16.4 9.4 293 295 A S E -d 271 0A 44 -23,-2.0 -21,-2.5 -2,-0.3 2,-0.2 -0.969 31.0-109.4-160.7 162.2 65.5 19.7 7.7 294 296 A A E -d 272 0A 12 -2,-0.3 3,-0.2 -23,-0.2 -21,-0.2 -0.634 8.1-154.6-101.6 156.3 66.3 23.2 8.6 295 297 A L + 0 0 2 -23,-2.5 -220,-0.1 -21,-0.3 -24,-0.0 -0.414 65.2 101.9-123.9 52.7 64.3 26.4 8.0 296 298 A N + 0 0 16 -20,-0.1 -276,-0.4 -23,-0.1 -279,-0.2 0.338 66.4 73.0-119.2 4.3 67.0 29.1 8.1 297 299 A E S > S- 0 0 78 -3,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.965 80.5-127.5-117.7 139.6 67.4 29.6 4.3 298 300 A P H > S+ 0 0 26 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 108.0 51.0 -47.2 -48.9 64.8 31.5 2.2 299 301 A S H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.876 111.0 47.2 -62.6 -40.8 64.5 28.7 -0.4 300 302 A A H > S+ 0 0 35 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.889 111.4 52.2 -68.3 -39.4 64.0 26.0 2.3 301 303 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.947 111.4 46.6 -57.8 -50.5 61.4 28.2 3.9 302 304 A A H X S+ 0 0 37 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.937 110.9 52.9 -56.3 -46.7 59.6 28.6 0.6 303 305 A A H X S+ 0 0 54 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.842 110.4 47.0 -62.7 -35.3 59.8 24.8 -0.1 304 306 A A H < S+ 0 0 7 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.842 107.3 56.4 -73.4 -33.4 58.2 24.0 3.3 305 307 A L H < S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.690 102.9 57.1 -73.2 -16.9 55.4 26.6 2.8 306 308 A E H < 0 0 156 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.760 360.0 360.0 -80.2 -27.5 54.5 24.9 -0.5 307 309 A L < 0 0 187 -4,-0.7 -3,-0.0 -3,-0.5 -4,-0.0 -0.206 360.0 360.0 -57.3 360.0 53.9 21.5 1.2