==== 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 14-FEB-06 2G1H . 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) . 12451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 78.5 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 . 24 7.8 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 . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 41.0 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 1 0 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 . 1 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 0 123 0, 0.0 267,-3.0 0, 0.0 268,-1.2 0.000 360.0 360.0 360.0 144.4 52.8 16.0 10.9 2 4 A F E -a 269 0A 34 265,-0.2 82,-2.9 266,-0.2 83,-0.6 -0.832 360.0-152.9-120.9 159.4 55.8 18.1 11.8 3 5 A A E -ab 270 85A 0 266,-2.4 268,-2.7 -2,-0.3 2,-0.5 -0.911 18.2-126.5-122.5 157.0 57.3 19.6 14.9 4 6 A F E -ab 271 86A 0 81,-2.0 83,-1.7 -2,-0.3 2,-0.4 -0.910 22.7-166.6-100.5 130.3 59.6 22.6 15.4 5 7 A V E -ab 272 87A 2 266,-2.7 268,-2.4 -2,-0.5 83,-0.2 -0.951 5.8-152.7-119.1 142.1 62.9 22.1 17.2 6 8 A F E - b 0 88A 0 81,-1.7 83,-2.7 -2,-0.4 86,-0.2 -0.937 11.9-137.4-122.1 122.3 64.9 25.0 18.5 7 9 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 88,-0.1 -0.231 14.3-156.6 -80.0 166.5 68.7 24.9 18.9 8 10 A G > - 0 0 5 1,-0.3 3,-1.7 83,-0.1 4,-0.2 -0.376 48.5 -14.9-121.6-159.0 70.9 26.2 21.7 9 11 A Q T 3 S+ 0 0 87 1,-0.2 -1,-0.3 80,-0.2 46,-0.1 -0.051 119.8 38.8 -47.4 138.7 74.5 27.3 22.3 10 12 A G T 3 S+ 0 0 56 -3,-0.1 -1,-0.2 268,-0.0 45,-0.0 0.051 94.4 84.3 107.0 -22.2 76.9 26.2 19.6 11 13 A S < + 0 0 7 -3,-1.7 -2,-0.1 265,-0.1 2,-0.1 0.577 67.3 101.2 -91.6 -10.7 74.5 26.9 16.7 12 14 A Q + 0 0 18 -4,-0.2 2,-0.3 42,-0.1 48,-0.0 -0.417 44.6 172.8 -71.5 147.5 75.3 30.6 16.5 13 15 A T > - 0 0 83 -2,-0.1 3,-2.0 33,-0.1 2,-0.2 -0.975 41.6 -96.1-147.4 150.8 77.7 32.0 13.8 14 16 A V T 3 S+ 0 0 64 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.473 114.5 24.2 -61.2 129.9 78.6 35.5 12.8 15 17 A G T > S+ 0 0 29 31,-3.3 3,-1.7 1,-0.3 -1,-0.3 0.425 86.0 159.5 94.3 0.4 76.4 36.4 9.8 16 18 A M T < + 0 0 9 -3,-2.0 -1,-0.3 30,-0.5 -4,-0.0 -0.255 65.9 11.7 -62.8 144.8 73.6 34.0 10.7 17 19 A L T 3> S+ 0 0 9 279,-0.2 4,-2.6 1,-0.1 -1,-0.3 0.508 85.1 131.6 70.0 6.6 70.2 34.7 9.2 18 20 A A H <> S+ 0 0 37 -3,-1.7 4,-1.7 1,-0.2 5,-0.1 0.942 74.1 44.1 -55.3 -49.6 71.7 37.3 6.8 19 21 A D H > S+ 0 0 96 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.910 112.9 50.8 -63.8 -43.0 69.9 35.8 3.8 20 22 A M H >> S+ 0 0 0 276,-0.4 4,-1.8 1,-0.2 3,-0.7 0.907 108.9 52.1 -60.7 -41.2 66.6 35.4 5.6 21 23 A A H 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 7,-0.2 0.871 105.8 54.6 -65.6 -35.5 66.7 39.0 6.8 22 24 A A H 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.728 116.1 38.6 -68.4 -23.0 67.3 40.2 3.2 23 25 A S H << S+ 0 0 70 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.645 122.9 40.1 -97.7 -19.6 64.2 38.3 2.2 24 26 A Y >< - 0 0 36 -4,-1.8 3,-2.0 -5,-0.2 4,-0.5 -0.869 57.2-164.4-142.5 101.0 62.0 39.1 5.2 25 27 A P T 3> S+ 0 0 90 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.699 85.2 76.0 -52.0 -24.8 62.0 42.5 7.0 26 28 A I H 3> S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.737 85.8 66.5 -66.9 -17.0 60.3 41.0 10.0 27 29 A V H <> S+ 0 0 0 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.973 105.7 36.8 -66.9 -55.3 63.6 39.5 11.0 28 30 A E H > S+ 0 0 92 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.837 114.8 57.0 -69.5 -29.8 65.4 42.8 11.7 29 31 A E H X S+ 0 0 118 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.897 108.0 48.2 -62.7 -39.8 62.2 44.2 13.2 30 32 A T H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.921 111.0 49.7 -64.1 -44.7 62.2 41.2 15.6 31 33 A F H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 11,-0.4 0.811 105.6 58.2 -65.5 -28.9 65.8 41.9 16.4 32 34 A A H X S+ 0 0 61 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.869 104.4 51.0 -68.7 -36.3 65.0 45.6 17.0 33 35 A E H X S+ 0 0 87 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.927 112.7 46.2 -60.3 -47.9 62.5 44.5 19.7 34 36 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.2 0.928 110.5 52.1 -61.4 -46.9 65.2 42.4 21.4 35 37 A S H X>S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.3 5,-0.9 0.874 105.8 54.5 -65.4 -34.1 67.8 45.1 21.2 36 38 A A H <5S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.885 111.0 46.6 -62.5 -37.5 65.4 47.6 22.8 37 39 A A H <5S+ 0 0 22 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.811 118.2 42.3 -71.4 -30.1 65.0 45.1 25.7 38 40 A L H <5S- 0 0 20 -4,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.769 102.2-125.0 -90.2 -30.5 68.8 44.5 25.9 39 41 A G T <5S+ 0 0 70 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.665 81.3 72.5 86.3 17.8 70.1 48.1 25.5 40 42 A Y S + 0 0 96 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.622 39.7 178.3 -84.8 95.1 72.1 46.4 18.9 42 44 A L H > S+ 0 0 0 -2,-1.3 4,-2.3 -11,-0.4 -1,-0.2 0.873 78.3 55.3 -67.3 -39.5 71.7 42.6 18.8 43 45 A W H > S+ 0 0 36 2,-0.2 4,-2.1 -12,-0.2 5,-0.2 0.947 108.0 49.2 -57.0 -48.0 71.4 42.3 15.1 44 46 A A H >>S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.6 0.905 108.3 54.5 -61.9 -41.6 74.7 44.1 14.6 45 47 A L H X5S+ 0 0 20 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.938 111.3 44.9 -52.6 -48.8 76.3 41.8 17.1 46 48 A T H <5S+ 0 0 0 -4,-2.3 -31,-3.3 1,-0.2 -30,-0.5 0.818 120.2 40.1 -68.7 -30.0 75.1 38.8 15.1 47 49 A Q H <5S+ 0 0 48 -4,-2.1 -1,-0.2 -33,-0.2 -2,-0.2 0.793 129.0 25.6 -90.2 -29.5 76.2 40.2 11.8 48 50 A Q H <5S+ 0 0 154 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.641 89.5 153.0-111.9 -22.4 79.5 41.8 12.7 49 51 A G << - 0 0 14 -4,-2.0 -1,-0.2 -5,-0.6 2,-0.2 -0.459 54.4-135.5 66.2-142.3 80.7 39.8 15.7 50 52 A P >> - 0 0 85 0, 0.0 4,-1.9 0, 0.0 3,-1.2 0.498 31.5-128.3 -72.6 168.5 83.4 39.4 16.6 51 53 A A H 3> S+ 0 0 51 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.837 106.4 61.5 -53.1 -35.9 82.8 35.7 17.2 52 54 A E H 34 S+ 0 0 150 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.845 106.8 44.4 -68.0 -34.0 84.2 36.0 20.7 53 55 A E H X4 S+ 0 0 63 -3,-1.2 3,-1.1 1,-0.2 -1,-0.2 0.907 112.9 50.6 -70.3 -45.2 81.5 38.5 21.7 54 56 A L H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.732 107.3 56.5 -64.0 -22.2 78.7 36.4 20.1 55 57 A N T 3< S+ 0 0 78 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.516 75.8 107.2 -94.8 -6.5 80.0 33.3 21.9 56 58 A K S X> S- 0 0 68 -3,-1.1 4,-3.0 -4,-0.3 3,-2.7 -0.661 75.5-133.3 -73.3 124.6 79.7 34.9 25.4 57 59 A T H 3> S+ 0 0 11 -2,-0.5 4,-2.4 1,-0.3 59,-0.2 0.746 100.2 58.0 -69.9 -29.5 76.7 33.0 26.7 58 60 A W H 34 S+ 0 0 63 58,-0.3 -1,-0.3 1,-0.2 59,-0.2 0.622 120.1 33.7 -72.7 -10.3 74.8 35.9 28.1 59 61 A Q H <> S+ 0 0 29 -3,-2.7 4,-1.9 -6,-0.2 -2,-0.3 0.690 114.2 58.2-105.3 -35.9 74.9 37.4 24.6 60 62 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.916 103.8 54.8 -54.3 -43.9 74.7 34.1 22.7 61 63 A Q H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.947 110.0 40.8 -67.5 -52.2 71.4 33.2 24.4 62 64 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 114.8 56.0 -60.1 -34.5 69.4 36.3 23.5 63 65 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.920 111.7 41.6 -62.1 -45.0 70.9 36.1 20.0 64 66 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.908 113.9 51.0 -71.8 -43.7 69.8 32.6 19.5 65 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.916 112.9 47.3 -58.1 -44.2 66.3 33.1 21.0 66 68 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.916 110.2 51.4 -66.2 -46.7 65.8 36.1 18.8 67 69 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.922 113.0 46.1 -53.1 -47.4 67.0 34.3 15.7 68 70 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.901 113.2 47.9 -67.0 -41.9 64.6 31.4 16.4 69 71 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.891 109.9 53.8 -67.6 -37.1 61.6 33.7 17.1 70 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.923 109.7 47.6 -61.9 -43.4 62.4 35.7 14.0 71 73 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.904 111.3 50.4 -65.5 -41.3 62.3 32.5 11.9 72 74 A Y H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.902 108.9 52.9 -60.4 -41.7 59.0 31.4 13.6 73 75 A R H X S+ 0 0 67 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.882 107.7 50.6 -65.1 -37.7 57.6 34.9 12.8 74 76 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 6,-0.2 0.961 109.9 50.5 -61.2 -52.3 58.5 34.5 9.1 75 77 A W H <>S+ 0 0 10 -4,-2.4 5,-2.9 1,-0.2 -2,-0.2 0.914 115.3 42.6 -47.1 -50.5 56.8 31.1 9.0 76 78 A Q H ><5S+ 0 0 101 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.922 112.2 52.8 -70.0 -43.8 53.6 32.5 10.5 77 79 A Q H 3<5S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.3 53.1 -58.0 -37.4 53.6 35.7 8.5 78 80 A Q T 3<5S- 0 0 89 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.277 128.2 -95.4 -89.5 9.9 53.9 33.7 5.3 79 81 A G T < 5 + 0 0 63 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.568 66.4 162.3 96.0 11.5 50.9 31.5 6.2 80 82 A G < - 0 0 13 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.1 -0.351 37.8-119.2 -66.2 141.8 52.7 28.5 7.7 81 83 A K - 0 0 169 1,-0.1 -1,-0.1 -2,-0.0 -5,-0.0 -0.484 34.0 -95.9 -76.7 152.3 50.6 26.2 9.9 82 84 A A - 0 0 54 -2,-0.1 -80,-0.2 1,-0.1 -1,-0.1 -0.368 43.8-111.1 -63.5 143.5 51.4 25.7 13.6 83 85 A P - 0 0 7 0, 0.0 -80,-0.2 0, 0.0 3,-0.1 -0.332 18.9-120.1 -69.7 160.3 53.5 22.6 14.3 84 86 A A S S- 0 0 35 -82,-2.9 2,-0.3 1,-0.2 -81,-0.2 0.802 90.8 -4.9 -69.4 -29.2 52.0 19.7 16.2 85 87 A M E -b 3 0A 17 -83,-0.6 -81,-2.0 139,-0.1 2,-0.3 -0.974 63.3-145.2-158.7 161.3 54.6 20.0 18.9 86 88 A M E +bc 4 226A 0 139,-2.3 141,-2.5 -2,-0.3 2,-0.3 -0.969 15.5 168.8-132.8 152.9 57.7 21.9 19.9 87 89 A A E -b 5 0A 0 -83,-1.7 -81,-1.7 -2,-0.3 2,-0.3 -0.951 11.5-162.1-153.8 151.3 60.9 21.2 21.8 88 90 A G E -b 6 0A 0 139,-0.5 2,-1.0 -2,-0.3 5,-0.3 -0.989 25.3-115.1-139.0 150.2 64.2 23.1 22.2 89 91 A H S > S- 0 0 18 -83,-2.7 3,-2.0 -2,-0.3 2,-0.7 -0.698 71.8 -63.0 -88.9 102.3 67.7 22.2 23.3 90 92 A S T >> S+ 0 0 15 -2,-1.0 3,-1.5 1,-0.3 4,-0.6 -0.440 141.9 24.3 62.7-103.3 68.5 24.0 26.6 91 93 A L H >> S+ 0 0 3 -2,-0.7 3,-1.7 1,-0.3 4,-1.1 0.913 118.8 67.0 -52.0 -39.9 68.3 27.7 25.5 92 94 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.3 -1,-0.3 0.741 85.5 69.0 -56.5 -25.0 66.0 26.4 22.7 93 95 A E H <> S+ 0 0 3 -3,-1.5 4,-2.1 -5,-0.3 -1,-0.3 0.891 98.4 50.6 -62.4 -37.4 63.4 25.5 25.3 94 96 A Y H S+ 0 0 3 -4,-2.1 5,-2.9 1,-0.2 6,-1.0 0.837 109.8 48.5 -67.5 -32.8 58.0 28.6 25.0 98 100 A V H ><5S+ 0 0 18 -4,-2.1 3,-1.5 4,-0.2 -1,-0.2 0.932 112.6 47.0 -68.3 -45.1 57.9 32.0 23.3 99 101 A C H 3<5S+ 0 0 13 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.808 109.8 54.6 -70.1 -25.0 56.6 30.6 20.0 100 102 A A T 3<5S- 0 0 0 -4,-2.2 123,-2.6 -5,-0.2 124,-0.3 0.388 119.0-112.5 -89.5 2.3 54.0 28.6 21.9 101 103 A G T < 5S+ 0 0 33 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.629 84.4 117.4 86.9 15.2 52.8 31.8 23.6 102 104 A V S - 0 0 83 114,-0.5 4,-2.5 -2,-0.4 5,-0.2 -0.361 31.4-123.7 -56.3 136.2 56.4 37.3 26.2 105 107 A F H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.912 109.3 44.3 -54.6 -51.6 59.2 37.7 23.7 106 108 A A H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 112.3 53.5 -65.3 -40.6 60.8 40.7 25.3 107 109 A D H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 109.9 49.1 -52.0 -45.1 60.5 39.1 28.8 108 110 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.864 106.8 54.5 -69.8 -36.4 62.2 36.0 27.4 109 111 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.933 113.6 41.9 -61.4 -46.0 65.1 38.0 25.8 110 112 A R H X S+ 0 0 102 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.913 113.4 55.3 -67.6 -42.0 65.8 39.6 29.2 111 113 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.899 108.6 45.2 -55.3 -47.4 65.3 36.3 31.0 112 114 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.806 108.1 57.3 -79.9 -24.4 67.9 34.4 28.9 113 115 A E H X S+ 0 0 31 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.954 111.4 43.5 -59.1 -50.2 70.4 37.2 29.2 114 116 A M H X S+ 0 0 46 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.908 110.2 56.3 -63.0 -42.5 70.1 36.8 33.0 115 117 A R H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.931 108.0 48.6 -49.0 -49.8 70.2 33.0 32.6 116 118 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -58,-0.3 0.878 111.6 48.7 -63.0 -40.1 73.5 33.4 30.8 117 119 A K H X S+ 0 0 92 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.929 111.2 49.0 -64.7 -47.5 75.0 35.7 33.4 118 120 A F H < S+ 0 0 28 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.906 114.2 47.8 -57.2 -42.6 73.9 33.4 36.3 119 121 A M H >< S+ 0 0 12 -4,-2.5 3,-1.1 -5,-0.2 4,-0.4 0.920 109.5 51.8 -63.8 -45.8 75.5 30.5 34.4 120 122 A Q H 3< S+ 0 0 55 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.835 113.6 43.7 -62.0 -34.7 78.7 32.4 33.7 121 123 A E T 3< S+ 0 0 110 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.439 84.6 99.7 -92.0 -0.4 79.2 33.3 37.3 122 124 A A S < S+ 0 0 34 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.1 0.898 95.9 2.6 -57.4 -49.5 78.3 29.9 38.7 123 125 A V S S- 0 0 25 -4,-0.4 -1,-0.1 -3,-0.3 3,-0.1 -0.964 89.9 -87.3-134.7 155.0 82.0 28.8 39.2 124 126 A P > - 0 0 94 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.320 56.0 -93.9 -54.2 136.2 85.4 30.4 38.7 125 127 A E T 3 S+ 0 0 145 1,-0.3 -5,-0.0 2,-0.2 -4,-0.0 -0.288 117.2 33.0 -44.6 133.8 86.8 30.1 35.2 126 128 A G T 3 S+ 0 0 61 2,-0.2 -1,-0.3 -3,-0.1 45,-0.1 0.354 97.4 90.3 94.3 -5.4 89.0 27.0 35.3 127 129 A T S < S+ 0 0 40 -3,-2.2 44,-2.6 43,-0.1 45,-0.3 0.845 84.1 45.2 -87.5 -39.6 86.8 25.2 37.8 128 130 A G E -E 170 0B 7 -4,-0.5 67,-0.3 42,-0.3 2,-0.3 -0.524 58.4-178.2-104.8 167.9 84.5 23.4 35.3 129 131 A A E -E 169 0B 10 40,-2.0 40,-1.6 -2,-0.2 2,-0.3 -0.979 13.0-149.5-153.9 159.0 84.8 21.4 32.1 130 132 A M E -E 168 0B 26 62,-0.4 62,-2.2 -2,-0.3 2,-0.3 -0.971 13.1-171.5-124.2 149.3 82.6 19.6 29.6 131 133 A A E -EF 167 191B 6 36,-2.7 36,-3.1 -2,-0.3 2,-0.6 -0.996 20.9-133.4-137.2 137.5 83.4 16.6 27.4 132 134 A A E -EF 166 190B 24 58,-2.8 58,-2.1 -2,-0.3 2,-0.6 -0.784 18.8-154.2 -82.2 118.7 81.7 14.9 24.5 133 135 A I E -EF 165 189B 0 32,-3.8 32,-2.0 -2,-0.6 2,-0.5 -0.858 14.7-163.5 -93.7 119.7 81.6 11.1 25.0 134 136 A I E +EF 164 188B 45 54,-3.0 53,-1.9 -2,-0.6 54,-1.8 -0.905 59.8 4.7-114.8 120.9 81.4 9.4 21.6 135 137 A G S S+ 0 0 44 28,-1.8 2,-0.4 -2,-0.5 -1,-0.2 0.790 92.2 114.0 86.5 31.1 80.3 5.9 21.0 136 138 A L - 0 0 9 -3,-0.3 27,-0.5 50,-0.2 -1,-0.3 -0.995 68.1-106.9-130.3 144.3 79.4 4.7 24.5 137 139 A D > - 0 0 85 -2,-0.4 4,-1.5 1,-0.1 3,-0.3 -0.291 31.6-113.1 -70.8 151.0 76.0 3.6 25.7 138 140 A D H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.831 113.6 50.3 -53.5 -39.8 74.1 6.0 28.1 139 141 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 105.9 52.7 -73.2 -42.4 74.3 3.6 31.0 140 142 A S H > S+ 0 0 39 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.818 109.9 52.0 -60.3 -31.3 78.0 2.9 30.8 141 143 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.927 106.5 50.6 -74.6 -45.5 78.6 6.6 30.8 142 144 A A H X S+ 0 0 32 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.887 113.0 48.1 -57.8 -40.5 76.6 7.3 33.9 143 145 A K H X S+ 0 0 112 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.911 108.9 52.2 -67.9 -44.0 78.5 4.5 35.7 144 146 A A H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.883 112.3 47.7 -56.0 -39.3 81.8 5.9 34.6 145 147 A C H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.912 110.3 50.8 -71.2 -43.7 80.7 9.3 36.0 146 148 A E H >X S+ 0 0 148 -4,-2.5 4,-0.6 1,-0.2 3,-0.6 0.942 113.5 45.2 -55.3 -49.6 79.6 7.8 39.3 147 149 A E H 3< S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.0 47.4 -65.1 -31.7 82.9 5.9 39.7 148 150 A A H 3< S+ 0 0 9 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.635 90.6 80.9 -88.0 -17.6 84.9 9.0 38.8 149 151 A A H X< + 0 0 19 -4,-1.4 3,-2.0 -3,-0.6 -1,-0.2 0.947 56.4 178.2 -61.2 -56.7 83.1 11.6 40.9 150 152 A E T 3< S- 0 0 152 -4,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.877 82.9 -43.0 53.5 42.6 84.9 10.9 44.2 151 153 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 22,-0.0 2,-0.2 0.382 126.1 96.7 82.8 -4.8 83.0 13.6 46.0 152 154 A Q S < S- 0 0 47 -3,-2.0 2,-0.5 -4,-0.1 -1,-0.4 -0.390 82.8 -99.4 -86.1-174.3 83.4 16.1 43.2 153 155 A V + 0 0 37 -2,-0.2 17,-2.2 -3,-0.1 2,-0.3 -0.945 51.7 143.6-113.4 126.5 80.7 16.5 40.6 154 156 A V E +G 169 0B 11 -2,-0.5 15,-0.2 15,-0.2 -5,-0.1 -0.900 14.6 144.9-155.3 137.2 80.5 15.0 37.2 155 157 A S E -G 168 0B 34 13,-2.0 13,-2.0 -2,-0.3 2,-0.2 -0.984 55.2 -77.6-159.4 160.1 77.5 13.6 35.3 156 158 A P E +G 167 0B 16 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.526 45.0 173.5 -61.7 129.7 75.9 13.3 31.9 157 159 A V E + 0 0 0 9,-3.5 96,-2.7 1,-0.3 2,-0.4 0.636 62.4 36.4-119.8 -22.8 74.5 16.7 31.0 158 160 A N E -Gh 166 253B 23 8,-2.0 8,-2.3 94,-0.2 2,-0.9 -0.957 53.8-169.2-129.7 118.4 73.4 16.3 27.4 159 161 A F E +Gh 165 254B 24 94,-2.5 97,-2.6 -2,-0.4 96,-0.6 -0.853 25.2 161.5 -94.0 97.5 71.9 13.2 26.0 160 162 A N E - 0 0 25 4,-1.6 5,-0.2 -2,-0.9 -1,-0.2 0.865 59.8 -33.2 -96.7 -41.0 72.0 14.2 22.3 161 163 A S E > S-G 164 0B 0 3,-1.9 3,-2.8 -3,-0.2 -1,-0.4 -0.948 83.1 -62.8-160.0 170.9 71.7 10.9 20.6 162 164 A P T 3 S+ 0 0 72 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 -0.426 129.2 14.1 -51.2 114.0 72.6 7.3 21.1 163 165 A G T 3 S+ 0 0 18 -27,-0.5 -28,-1.8 -2,-0.3 2,-0.3 0.534 112.7 85.8 88.6 8.3 76.4 7.5 21.1 164 166 A Q E < +EG 134 161B 61 -3,-2.8 -3,-1.9 -30,-0.2 -4,-1.6 -0.846 51.2 150.7-137.9 106.5 76.7 11.2 21.6 165 167 A V E -EG 133 159B 1 -32,-2.0 -32,-3.8 -2,-0.3 2,-0.4 -0.998 32.5-144.8-138.5 131.0 76.5 12.3 25.2 166 168 A V E -EG 132 158B 15 -8,-2.3 -9,-3.5 -2,-0.4 -8,-2.0 -0.847 14.5-166.4 -97.2 134.4 78.1 15.4 26.9 167 169 A I E +EG 131 156B 0 -36,-3.1 -36,-2.7 -2,-0.4 2,-0.3 -0.832 11.1 173.3-111.6 158.7 79.3 15.2 30.4 168 170 A A E +EG 130 155B 0 -13,-2.0 -13,-2.0 -2,-0.3 2,-0.3 -0.978 19.5 98.4-159.1 164.8 80.3 18.1 32.7 169 171 A G E S+EG 129 154B 0 -40,-1.6 -40,-2.0 -2,-0.3 -15,-0.2 -0.984 75.3 2.7 151.1-157.5 81.3 19.0 36.2 170 172 A H E > S-E 128 0B 44 -17,-2.2 4,-2.5 -2,-0.3 3,-0.4 -0.427 71.0-120.8 -58.7 133.8 84.5 19.8 38.0 171 173 A K H > S+ 0 0 94 -44,-2.6 4,-2.0 1,-0.2 5,-0.1 0.865 110.0 48.9 -43.5 -51.2 87.5 19.7 35.7 172 174 A E H > S+ 0 0 84 -45,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.891 112.6 47.0 -64.6 -40.7 89.3 16.9 37.5 173 175 A A H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.853 108.9 54.7 -70.3 -34.9 86.3 14.7 37.7 174 176 A V H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.864 108.1 51.2 -66.7 -35.1 85.5 15.2 34.0 175 177 A E H X S+ 0 0 111 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.959 111.7 45.5 -60.2 -53.2 89.1 14.1 33.3 176 178 A R H X S+ 0 0 99 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.904 114.2 49.5 -56.8 -42.5 88.7 10.9 35.4 177 179 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 108.6 52.1 -70.3 -43.1 85.3 10.3 33.8 178 180 A G H X S+ 0 0 9 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.958 110.2 48.7 -49.9 -55.4 86.6 10.7 30.3 179 181 A A H X S+ 0 0 63 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.903 111.9 49.0 -55.9 -43.2 89.4 8.2 30.9 180 182 A A H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.881 108.8 53.4 -67.6 -37.2 86.9 5.7 32.4 181 183 A C H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.6 0.954 109.9 47.4 -61.0 -50.7 84.6 6.2 29.4 182 184 A K H ><5S+ 0 0 114 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.930 111.8 51.2 -49.0 -49.0 87.6 5.4 27.1 183 185 A A H 3<5S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 106.3 54.7 -63.0 -29.7 88.3 2.4 29.3 184 186 A A H 3<5S- 0 0 57 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.523 133.4 -90.0 -85.3 -6.2 84.7 1.3 29.0 185 187 A G T <<5 + 0 0 56 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.2 0.548 67.1 161.5 116.0 13.6 85.1 1.4 25.2 186 188 A A < - 0 0 7 -5,-2.5 -51,-0.2 -6,-0.1 -1,-0.2 -0.380 38.8-138.7 -64.2 139.1 84.1 4.9 24.1 187 189 A K S S- 0 0 139 -53,-1.9 2,-0.3 1,-0.2 -52,-0.2 0.900 81.0 -6.2 -68.7 -41.2 85.3 5.9 20.7 188 190 A R E -F 134 0B 119 -54,-1.8 -54,-3.0 2,-0.0 2,-0.3 -0.988 45.3-159.6-145.1 156.3 86.3 9.3 21.9 189 191 A A E -F 133 0B 24 -2,-0.3 -56,-0.2 -56,-0.2 -11,-0.0 -0.749 28.6-168.2-128.8 91.7 86.1 11.7 24.8 190 192 A L E -F 132 0B 90 -58,-2.1 -58,-2.8 -2,-0.3 2,-0.3 -0.661 17.1-133.5 -88.4 123.3 86.6 15.1 23.3 191 193 A P E -F 131 0B 113 0, 0.0 -60,-0.2 0, 0.0 -1,-0.0 -0.585 27.7-147.3 -71.0 131.0 87.2 18.1 25.6 192 194 A L - 0 0 50 -62,-2.2 2,-3.1 -2,-0.3 -62,-0.4 -0.576 29.4 -98.5-102.0 159.4 85.1 21.1 24.7 193 195 A P S S+ 0 0 138 0, 0.0 -62,-0.1 0, 0.0 -1,-0.1 -0.359 78.0 142.9 -64.3 61.3 85.5 24.8 24.8 194 196 A V + 0 0 37 -2,-3.1 2,-1.0 -64,-0.3 -65,-0.1 0.935 23.9 148.4 -76.1 -96.1 83.5 24.7 28.0 195 197 A S + 0 0 33 -67,-0.3 -1,-0.2 -3,-0.2 -3,-0.0 -0.884 69.3 71.5 74.5-100.4 84.1 26.7 31.1 196 198 A V S S- 0 0 19 -2,-1.0 2,-1.7 1,-0.1 -76,-0.1 -0.205 75.9-149.8 -51.4 111.2 80.5 26.8 32.2 197 199 A P > - 0 0 1 0, 0.0 3,-0.8 0, 0.0 5,-0.2 -0.540 27.4-167.8 -82.3 72.6 79.6 23.3 33.4 198 200 A S T 3 + 0 0 19 -2,-1.7 52,-0.1 1,-0.2 3,-0.1 -0.193 55.2 18.7 -62.9 150.1 75.9 23.5 32.4 199 201 A H T 3 S+ 0 0 5 50,-1.7 2,-0.3 1,-0.2 51,-0.3 0.671 99.1 99.8 68.5 24.0 73.2 21.0 33.4 200 202 A C S X S- 0 0 2 -3,-0.8 3,-2.6 49,-0.4 -1,-0.2 -0.814 92.8 -86.6-126.5 177.6 75.0 19.5 36.4 201 203 A A G > S+ 0 0 55 1,-0.3 3,-1.9 -2,-0.3 49,-0.1 0.692 116.9 75.5 -57.1 -21.2 74.7 20.1 40.1 202 204 A L G 3 S+ 0 0 27 1,-0.3 -1,-0.3 -5,-0.2 4,-0.2 0.701 89.3 60.6 -65.3 -15.7 77.2 22.9 39.9 203 205 A M G <> S+ 0 0 0 -3,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.397 73.8 101.4 -92.6 0.9 74.4 25.0 38.4 204 206 A K H X> S+ 0 0 82 -3,-1.9 4,-2.2 1,-0.2 3,-0.8 0.965 81.5 45.8 -48.4 -67.6 72.2 24.8 41.5 205 207 A P H 3> S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.779 113.8 50.9 -54.8 -30.6 72.9 28.2 43.0 206 208 A A H 3> S+ 0 0 3 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.894 108.9 52.0 -64.6 -42.2 72.5 29.7 39.5 207 209 A A H < S+ 0 0 43 -4,-1.4 3,-1.1 1,-0.2 4,-0.4 0.898 110.2 55.0 -70.1 -40.7 63.7 36.1 38.1 214 216 A L H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.862 100.4 61.3 -61.3 -34.4 61.3 33.6 36.5 215 217 A A H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.765 98.0 57.9 -65.4 -25.2 58.7 34.2 39.3 216 218 A K T << S+ 0 0 147 -3,-1.1 2,-0.4 -4,-0.5 -1,-0.3 0.598 95.3 82.6 -78.0 -12.4 58.5 37.9 38.2 217 219 A I S < S- 0 0 27 -3,-1.6 2,-0.2 -4,-0.4 -114,-0.0 -0.797 81.7-119.0-106.4 133.8 57.5 36.9 34.7 218 220 A T - 0 0 91 -2,-0.4 2,-0.5 1,-0.0 -114,-0.5 -0.483 25.8-160.2 -66.0 131.1 54.0 36.1 33.5 219 221 A F - 0 0 20 -2,-0.2 2,-0.2 -116,-0.1 -116,-0.2 -0.972 6.7-165.2-113.7 128.9 53.6 32.6 32.1 220 222 A N - 0 0 81 -118,-2.5 3,-0.1 -2,-0.5 0, 0.0 -0.673 33.9 -85.4-104.7 163.9 50.6 31.7 29.9 221 223 A A - 0 0 70 -2,-0.2 2,-0.1 1,-0.1 16,-0.1 -0.445 51.9-108.0 -65.7 138.6 49.2 28.4 28.7 222 224 A P - 0 0 23 0, 0.0 -121,-0.2 0, 0.0 -1,-0.1 -0.423 15.4-153.1 -68.0 142.9 51.0 27.0 25.7 223 225 A T S S+ 0 0 110 -123,-2.6 -122,-0.1 1,-0.2 -123,-0.1 0.596 88.3 31.1 -91.0 -15.7 49.1 27.1 22.4 224 226 A V S S- 0 0 8 -124,-0.3 -1,-0.2 -138,-0.0 -139,-0.1 -0.992 102.2 -93.4-138.1 144.8 51.1 24.1 21.2 225 227 A P - 0 0 59 0, 0.0 -139,-2.3 0, 0.0 2,-0.5 -0.273 35.2-159.3 -59.3 134.2 52.6 21.3 23.3 226 228 A V B -c 86 0A 7 9,-0.4 2,-0.6 -141,-0.2 9,-0.5 -0.977 9.1-144.9-117.3 118.2 56.2 21.9 24.4 227 229 A V B -I 234 0C 0 -141,-2.5 -139,-0.5 -2,-0.5 7,-0.2 -0.714 25.3-135.0 -81.3 116.8 58.2 18.8 25.4 228 230 A N > - 0 0 7 5,-2.6 4,-1.4 -2,-0.6 5,-0.2 -0.404 4.7-133.6 -83.6 154.1 60.5 19.8 28.2 229 231 A N T 4 S+ 0 0 0 1,-0.2 25,-2.2 2,-0.2 -1,-0.1 0.806 99.0 48.0 -69.6 -35.2 64.2 18.9 28.5 230 232 A V T 4 S+ 0 0 14 14,-0.2 -1,-0.2 23,-0.2 15,-0.0 0.914 130.3 11.9 -82.7 -42.5 64.2 17.9 32.1 231 233 A D T 4 S- 0 0 59 2,-0.2 -2,-0.2 13,-0.0 -1,-0.1 0.478 89.8-122.9-112.9 -8.5 61.2 15.5 32.4 232 234 A V < + 0 0 29 -4,-1.4 2,-0.4 1,-0.2 -3,-0.1 0.932 69.8 137.0 55.8 45.8 60.3 14.9 28.7 233 235 A K - 0 0 102 -5,-0.2 -5,-2.6 -7,-0.1 2,-1.1 -0.940 61.0-134.1-123.6 146.1 56.8 16.2 29.7 234 236 A C B -I 227 0C 37 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.764 34.3-171.5 -96.3 87.9 54.4 18.6 28.0 235 237 A E + 0 0 39 -2,-1.1 -9,-0.4 -9,-0.5 3,-0.0 -0.506 19.9 178.2 -78.7 151.2 53.5 20.8 30.9 236 238 A T + 0 0 96 -2,-0.2 2,-0.4 -15,-0.1 -1,-0.1 0.522 51.9 100.9-124.9 -22.9 50.6 23.3 30.5 237 239 A N S >> S- 0 0 83 1,-0.2 4,-2.3 -16,-0.1 3,-0.6 -0.565 70.2-140.8 -68.4 123.2 50.5 24.8 34.0 238 240 A G H 3> S+ 0 0 12 -2,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.889 103.2 46.7 -53.6 -41.8 52.3 28.1 33.8 239 241 A D H 3> S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.759 108.9 53.9 -77.7 -25.9 53.9 27.5 37.2 240 242 A A H <> S+ 0 0 24 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.841 108.1 50.9 -71.8 -34.4 54.9 23.9 36.3 241 243 A I H X S+ 0 0 9 -4,-2.3 4,-1.7 2,-0.2 3,-0.3 0.956 108.8 51.7 -68.4 -49.0 56.7 25.2 33.2 242 244 A R H >X S+ 0 0 42 -4,-2.2 4,-1.8 1,-0.2 3,-0.6 0.928 109.6 49.0 -44.1 -55.6 58.5 27.7 35.4 243 245 A D H 3X S+ 0 0 85 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.809 107.4 55.7 -61.1 -29.8 59.6 25.0 37.7 244 246 A A H 3X S+ 0 0 1 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.803 104.9 52.8 -74.7 -27.7 60.8 22.9 34.8 245 247 A L H X S+ 0 0 19 -4,-1.8 3,-1.2 1,-0.2 4,-0.6 0.981 114.7 43.5 -60.4 -54.5 64.6 25.9 37.1 247 249 A R H >X S+ 0 0 63 -4,-2.3 3,-0.9 1,-0.3 4,-0.6 0.838 104.3 67.3 -63.8 -31.6 65.3 22.2 37.2 248 250 A Q H >< S+ 0 0 1 -4,-1.7 3,-0.9 1,-0.2 -1,-0.3 0.851 91.0 63.1 -50.3 -39.6 66.5 22.3 33.6 249 251 A L H << S+ 0 0 3 -3,-1.2 -50,-1.7 -4,-0.9 -49,-0.4 0.798 114.0 28.3 -69.2 -29.0 69.5 24.3 34.6 250 252 A Y H << S+ 0 0 58 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.228 112.2 72.1-117.7 14.9 71.1 21.7 36.8 251 253 A N S << S- 0 0 51 -3,-0.9 -51,-0.1 -4,-0.6 -94,-0.1 -0.877 90.9 -83.8-126.7 159.5 69.8 18.5 35.3 252 254 A P - 0 0 30 0, 0.0 2,-0.7 0, 0.0 -94,-0.2 -0.268 38.2-117.5 -65.0 145.5 70.6 16.7 32.0 253 255 A V E -h 158 0B 0 -96,-2.7 -94,-2.5 1,-0.1 2,-1.6 -0.763 21.9-151.0 -80.8 116.4 69.0 17.7 28.8 254 256 A Q E > +h 159 0B 36 -25,-2.2 4,-1.7 -2,-0.7 5,-0.1 -0.459 40.8 146.2 -89.7 65.6 67.0 14.7 27.6 255 257 A W H > + 0 0 0 -2,-1.6 4,-2.6 -96,-0.6 5,-0.3 0.952 67.0 53.4 -71.5 -47.7 67.2 15.4 23.9 256 258 A T H > S+ 0 0 6 -97,-2.6 4,-1.9 -3,-0.3 -1,-0.2 0.934 114.5 41.8 -47.5 -52.6 67.4 11.8 22.8 257 259 A K H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.808 110.7 57.0 -72.1 -28.4 64.2 10.8 24.7 258 260 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.911 108.5 46.5 -68.5 -42.9 62.4 14.0 23.7 259 261 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.888 112.3 50.8 -63.3 -39.1 62.9 13.2 20.0 260 262 A E H X S+ 0 0 90 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.903 109.3 52.6 -64.2 -39.0 61.7 9.7 20.7 261 263 A Y H X S+ 0 0 81 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.914 108.0 48.8 -64.2 -45.8 58.7 11.1 22.5 262 264 A M H ><>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.8 0.928 110.7 51.3 -59.3 -46.1 57.7 13.3 19.5 263 265 A A H ><5S+ 0 0 28 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.925 106.7 54.3 -56.2 -44.7 58.1 10.4 17.2 264 266 A A H 3<5S+ 0 0 79 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.729 102.2 58.5 -63.5 -22.4 55.8 8.3 19.4 265 267 A Q T <<5S- 0 0 98 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.429 128.5 -96.1 -86.0 -0.9 53.2 11.1 19.2 266 268 A G T < 5S+ 0 0 43 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.421 72.0 150.9 101.9 0.8 53.1 10.7 15.4 267 269 A V < + 0 0 6 -5,-1.9 -1,-0.3 -6,-0.2 -265,-0.2 -0.446 17.7 178.3 -63.3 135.6 55.5 13.4 14.4 268 270 A E + 0 0 132 -267,-3.0 23,-1.7 1,-0.3 2,-0.4 0.615 60.8 35.5-114.4 -22.5 57.2 12.5 11.1 269 271 A H E -ad 2 291A 35 -268,-1.2 -266,-2.4 21,-0.2 2,-0.5 -0.999 60.1-152.9-139.9 137.6 59.4 15.5 10.4 270 272 A L E -ad 3 292A 1 21,-2.2 23,-2.1 -2,-0.4 2,-0.5 -0.956 8.4-160.1-108.8 123.7 61.4 17.9 12.5 271 273 A Y E -ad 4 293A 17 -268,-2.7 -266,-2.7 -2,-0.5 2,-0.8 -0.911 16.3-138.3 -98.3 125.9 62.0 21.4 11.2 272 274 A E E -ad 5 294A 0 21,-2.5 23,-2.5 -2,-0.5 2,-1.4 -0.757 14.7-162.9 -87.3 106.9 65.0 23.1 12.9 273 275 A V + 0 0 2 -268,-2.4 -201,-0.2 -2,-0.8 -202,-0.1 -0.624 59.9 51.6 -97.7 77.6 63.9 26.7 13.5 274 276 A G S S- 0 0 0 -2,-1.4 21,-0.3 2,-0.2 -2,-0.1 -0.948 96.1 -53.5 174.7 175.5 67.2 28.4 14.2 275 277 A P S S+ 0 0 3 0, 0.0 3,-0.3 0, 0.0 -263,-0.0 -0.327 96.0 15.9 -69.7 154.7 70.7 28.8 12.7 276 278 A G S S- 0 0 32 1,-0.2 -2,-0.2 2,-0.1 20,-0.1 -0.082 79.7-100.2 78.6-176.8 72.8 25.8 11.8 277 279 A K S > S+ 0 0 149 17,-0.1 4,-2.0 2,-0.1 -1,-0.2 -0.076 74.6 121.7-136.2 32.6 71.8 22.2 11.3 278 280 A V H > S+ 0 0 76 -3,-0.3 4,-1.3 2,-0.2 -2,-0.1 0.960 80.8 38.9 -67.4 -52.8 72.9 20.7 14.6 279 281 A L H > S+ 0 0 4 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.851 112.9 59.3 -68.7 -32.5 69.5 19.3 15.7 280 282 A T H >> S+ 0 0 30 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.940 105.4 48.7 -55.6 -48.0 68.8 18.3 12.1 281 283 A G H 3< S+ 0 0 44 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.786 108.9 53.2 -66.7 -29.6 71.9 16.1 12.1 282 284 A L H 3X S+ 0 0 12 -4,-1.3 4,-1.3 1,-0.2 3,-0.4 0.771 91.2 79.7 -69.2 -27.8 70.9 14.4 15.4 283 285 A T H XX S+ 0 0 1 -4,-1.1 4,-2.6 -3,-0.7 3,-0.7 0.872 92.3 41.6 -61.8 -50.9 67.5 13.4 14.3 284 286 A K H 3< S+ 0 0 118 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.792 109.3 60.8 -70.5 -26.0 68.1 10.3 12.2 285 287 A R H 34 S+ 0 0 159 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.796 112.0 40.0 -68.9 -27.7 70.7 9.0 14.8 286 288 A I H << S+ 0 0 17 -4,-1.3 2,-0.4 -3,-0.7 -2,-0.2 0.924 138.6 7.8 -82.5 -54.0 67.9 9.0 17.3 287 289 A V >< - 0 0 30 -4,-2.6 3,-1.8 -5,-0.1 -1,-0.3 -0.945 68.6-158.5-132.2 110.2 65.0 7.6 15.1 288 290 A D T 3 S+ 0 0 117 -2,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.694 90.8 54.1 -73.9 -14.2 66.3 6.5 11.7 289 291 A T T 3 S+ 0 0 117 2,-0.1 -1,-0.3 -5,-0.0 2,-0.3 0.481 89.4 95.5 -93.9 -5.1 62.8 6.8 10.1 290 292 A L < - 0 0 5 -3,-1.8 2,-0.3 -7,-0.2 -21,-0.2 -0.621 63.7-151.5 -78.1 143.9 62.4 10.4 11.2 291 293 A T E -d 269 0A 58 -23,-1.7 -21,-2.2 -2,-0.3 2,-0.3 -0.852 14.4-177.2-112.1 156.3 63.4 13.1 8.7 292 294 A A E +d 270 0A 27 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.991 9.1 170.7-148.3 155.1 64.6 16.6 9.5 293 295 A S E -d 271 0A 45 -23,-2.1 -21,-2.5 -2,-0.3 2,-0.2 -0.970 30.4-109.7-158.6 161.5 65.6 19.8 7.8 294 296 A A E -d 272 0A 12 -2,-0.3 3,-0.2 -23,-0.2 -21,-0.2 -0.625 8.8-155.8 -99.4 154.9 66.4 23.4 8.8 295 297 A L + 0 0 3 -23,-2.5 -220,-0.1 -21,-0.3 -1,-0.0 -0.387 64.0 102.6-123.4 50.9 64.4 26.5 8.2 296 298 A N + 0 0 15 -20,-0.1 -276,-0.4 -23,-0.1 -279,-0.2 0.358 66.3 70.5-119.1 4.1 67.1 29.2 8.3 297 299 A E S > S- 0 0 79 -3,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.973 81.5-124.7-120.7 141.9 67.5 29.9 4.5 298 300 A P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.872 108.8 49.7 -48.5 -50.2 65.0 31.6 2.4 299 301 A S H > S+ 0 0 92 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.905 111.4 48.1 -61.7 -44.6 64.7 28.8 -0.2 300 302 A A H > S+ 0 0 36 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 111.7 51.5 -60.0 -40.8 64.2 26.2 2.4 301 303 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.936 111.6 47.2 -60.8 -46.3 61.6 28.4 4.0 302 304 A A H X S+ 0 0 39 -4,-2.9 4,-1.1 -5,-0.2 -2,-0.2 0.931 110.3 52.0 -57.7 -48.9 59.9 28.7 0.6 303 305 A A H X S+ 0 0 51 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.843 110.4 48.5 -62.4 -34.4 60.0 25.0 -0.0 304 306 A A H >< S+ 0 0 8 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.888 107.4 54.0 -73.0 -38.9 58.4 24.2 3.3 305 307 A L H 3< S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.689 103.1 59.5 -69.3 -18.7 55.6 26.7 2.9 306 308 A E H 3< 0 0 158 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.750 360.0 360.0 -75.8 -25.4 54.8 25.0 -0.5 307 309 A L << 0 0 185 -3,-0.9 -3,-0.0 -4,-0.6 -4,-0.0 -0.210 360.0 360.0 -60.1 360.0 54.1 21.7 1.3