==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHALOGENASE 08-AUG-96 1HDE . COMPND 2 MOLECULE: HALOALKANE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR I.S.RIDDER,K.H.KALK,B.W.DIJKSTRA . 620 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 55 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 0 0 2 4 4 2 2 2 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 4 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 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 193 0, 0.0 2,-0.5 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 168.4 -11.2 4.5 -5.6 2 2 A I - 0 0 41 30,-0.3 2,-0.6 94,-0.0 0, 0.0 -0.870 360.0-139.1-103.7 123.9 -10.6 2.7 -2.2 3 3 A N + 0 0 103 -2,-0.5 89,-2.6 31,-0.0 90,-0.6 -0.711 35.3 168.6 -80.1 116.7 -13.5 2.1 0.1 4 4 A A E -A 91 0A 33 -2,-0.6 2,-0.3 87,-0.3 211,-0.1 -0.950 27.4-143.4-131.9 148.9 -12.5 2.9 3.7 5 5 A I E -A 90 0A 49 85,-2.9 85,-3.0 -2,-0.3 2,-0.4 -0.733 15.6-139.2-105.8 162.4 -14.0 3.3 7.2 6 6 A R - 0 0 116 -2,-0.3 83,-0.1 83,-0.2 81,-0.1 -0.962 17.4-121.2-122.1 134.1 -12.9 5.8 9.9 7 7 A T - 0 0 9 -2,-0.4 2,-0.2 81,-0.3 203,-0.1 -0.564 34.4-107.3 -72.8 131.4 -12.7 5.0 13.6 8 8 A P > - 0 0 62 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.439 21.2-131.1 -51.1 125.3 -14.8 7.3 16.0 9 9 A D G > S+ 0 0 101 1,-0.3 3,-2.1 -2,-0.2 4,-0.2 0.812 102.0 76.1 -52.7 -29.1 -12.6 9.7 17.9 10 10 A Q G > S+ 0 0 147 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.830 84.0 65.1 -49.7 -36.2 -14.4 8.7 21.1 11 11 A R G < S+ 0 0 99 -3,-2.2 -1,-0.3 1,-0.3 3,-0.3 0.755 102.3 47.6 -62.4 -23.9 -12.3 5.4 21.0 12 12 A F G X S+ 0 0 19 -3,-2.1 3,-0.9 -4,-0.4 -1,-0.3 0.345 80.3 116.8-101.9 17.0 -9.1 7.4 21.6 13 13 A S T < S+ 0 0 84 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.744 84.2 16.2 -62.9 -37.1 -10.5 9.5 24.5 14 14 A N T 3 S+ 0 0 155 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.356 75.4 171.2-139.4 59.4 -8.4 8.5 27.4 15 15 A L X - 0 0 27 -3,-0.9 3,-1.5 3,-0.2 2,-0.1 -0.535 38.0-116.5 -76.0 125.7 -5.3 6.7 26.2 16 16 A D T 3 S- 0 0 65 -2,-0.4 -1,-0.1 185,-0.3 -2,-0.0 -0.438 93.9 -5.1 -59.0 127.3 -2.7 5.9 28.8 17 17 A Q T 3 S+ 0 0 88 -2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.636 102.2 113.6 59.1 20.6 0.6 7.8 28.1 18 18 A Y < + 0 0 18 -3,-1.5 -3,-0.2 1,-0.1 -1,-0.1 -0.606 21.3 146.2-117.0 72.8 -0.6 9.2 24.7 19 19 A P + 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.357 31.9 131.2 -85.2 8.2 -0.9 13.0 25.2 20 20 A F - 0 0 20 -3,-0.1 21,-0.0 1,-0.1 44,-0.0 -0.471 57.9-127.8 -76.1 123.1 0.1 13.7 21.6 21 21 A S - 0 0 79 -2,-0.3 19,-0.5 1,-0.1 2,-0.2 -0.430 32.9-108.6 -68.4 137.5 -2.0 16.1 19.6 22 22 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 17,-0.1 -0.488 28.8-171.0 -78.9 138.5 -3.2 14.7 16.2 23 23 A N E -B 38 0B 48 15,-1.2 15,-2.3 -2,-0.2 2,-0.3 -0.939 11.4-170.1-120.2 145.5 -2.0 15.7 12.7 24 24 A Y E -B 37 0B 63 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.910 17.7-165.2-132.8 161.7 -3.7 14.6 9.5 25 25 A L E +B 36 0B 20 11,-1.7 11,-2.6 -2,-0.3 3,-0.2 -0.895 11.8 169.2-146.4 115.2 -3.3 14.6 5.7 26 26 A D E + 0 0 98 -2,-0.3 7,-1.2 9,-0.2 8,-0.1 0.248 69.0 65.3-112.7 19.1 -6.2 13.8 3.3 27 27 A D E +B 32 0B 83 5,-0.2 -1,-0.2 6,-0.1 8,-0.1 -0.099 61.1 147.9-134.5 33.5 -4.6 14.8 0.1 28 28 A L E > -B 31 0B 4 3,-0.6 3,-2.4 6,-0.5 2,-0.3 -0.530 58.2 -98.3 -80.1 139.8 -1.7 12.4 -0.6 29 29 A P T 3 S+ 0 0 99 0, 0.0 79,-0.1 0, 0.0 -1,-0.1 -0.386 112.3 10.0 -60.1 112.2 -0.8 11.5 -4.3 30 30 A G T 3 S+ 0 0 61 -2,-0.3 75,-0.1 78,-0.0 -2,-0.1 0.205 118.5 77.7 100.8 -10.4 -2.4 8.1 -4.9 31 31 A Y E X +B 28 0B 14 -3,-2.4 -3,-0.6 3,-0.1 3,-0.6 -0.393 61.2 172.3-129.2 56.2 -4.4 8.2 -1.7 32 32 A P E 3 S+B 27 0B 78 0, 0.0 -30,-0.3 0, 0.0 -5,-0.2 -0.449 72.8 8.8 -69.6 131.6 -7.5 10.6 -2.4 33 33 A G E 3 S+ 0 0 47 -7,-1.2 2,-0.6 1,-0.3 -6,-0.1 0.134 100.4 117.7 85.1 -24.7 -10.1 10.7 0.3 34 34 A L E < - 0 0 4 -3,-0.6 2,-0.6 -6,-0.2 -6,-0.5 -0.676 55.4-151.8 -79.1 116.3 -7.8 8.6 2.6 35 35 A R E - 0 0 40 -2,-0.6 54,-2.6 -3,-0.1 2,-0.4 -0.817 7.2-158.5 -91.0 120.5 -6.9 10.6 5.7 36 36 A A E -B 25 0B 1 -11,-2.6 -11,-1.7 -2,-0.6 2,-0.5 -0.873 4.0-150.7-100.3 131.4 -3.6 9.7 7.2 37 37 A H E +B 24 0B 1 -2,-0.4 44,-2.7 44,-0.3 2,-0.3 -0.898 21.5 168.6 -98.8 134.5 -2.9 10.5 10.9 38 38 A Y E -BC 23 80B 20 -15,-2.3 -15,-1.2 -2,-0.5 2,-0.4 -0.981 31.7-124.2-142.4 148.5 0.7 11.2 12.1 39 39 A L E - C 0 79B 1 40,-1.9 40,-2.1 -2,-0.3 2,-0.3 -0.781 19.9-171.6 -88.4 143.3 2.3 12.6 15.2 40 40 A D E + C 0 78B 36 -19,-0.5 38,-0.2 -2,-0.4 2,-0.2 -0.725 21.5 162.8-138.4 82.2 4.7 15.6 14.8 41 41 A E E + C 0 77B 53 36,-2.3 36,-3.0 -2,-0.3 -2,-0.0 -0.542 33.2 27.8-103.8 167.1 6.5 16.3 18.0 42 42 A G E S- C 0 76B 36 34,-0.2 2,-0.5 -2,-0.2 34,-0.2 -0.179 110.1 -15.8 75.3-176.3 9.6 18.2 19.1 43 43 A N > - 0 0 83 32,-0.6 3,-2.0 28,-0.3 -2,-0.1 -0.444 56.4-154.0 -63.5 116.4 11.0 21.3 17.4 44 44 A S T 3 S+ 0 0 66 -2,-0.5 -1,-0.2 1,-0.3 32,-0.1 0.714 95.6 51.9 -65.0 -21.1 9.4 21.5 13.9 45 45 A D T 3 S+ 0 0 138 30,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.117 84.7 138.4 -97.6 15.9 12.4 23.4 12.6 46 46 A A < - 0 0 17 -3,-2.0 29,-0.1 1,-0.1 28,-0.0 -0.248 58.8-134.4 -62.3 147.4 14.9 20.8 14.0 47 47 A E S S+ 0 0 164 27,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.918 91.9 57.1 -65.1 -42.1 17.9 19.7 12.0 48 48 A D - 0 0 55 26,-0.2 28,-3.0 70,-0.0 2,-0.5 -0.757 64.7-167.8 -99.1 138.3 17.1 16.1 12.8 49 49 A V E -de 76 118B 7 68,-2.4 70,-3.2 -2,-0.4 2,-0.7 -0.987 9.3-155.1-120.9 120.3 13.9 14.2 12.1 50 50 A F E -de 77 119B 1 26,-3.2 28,-2.8 -2,-0.5 2,-0.8 -0.907 10.0-161.1 -92.2 111.6 13.2 10.8 13.7 51 51 A L E -de 78 120B 0 68,-1.7 70,-2.7 -2,-0.7 2,-0.8 -0.857 9.4-160.4 -92.9 101.8 10.8 9.0 11.4 52 52 A C E - e 0 121B 1 26,-2.7 2,-0.5 -2,-0.8 70,-0.2 -0.765 5.3-166.3 -95.6 110.1 9.3 6.2 13.6 53 53 A L - 0 0 2 68,-2.9 70,-0.4 -2,-0.8 73,-0.2 -0.802 4.3-155.8 -99.1 123.6 7.6 3.4 11.7 54 54 A H - 0 0 1 -2,-0.5 69,-0.1 26,-0.5 2,-0.1 -0.343 7.0-160.8 -88.9 176.5 5.3 0.9 13.4 55 55 A G > + 0 0 0 70,-0.2 3,-0.8 4,-0.2 27,-0.1 -0.186 39.4 3.0-126.1-135.8 4.4 -2.7 12.5 56 56 A E T 3 S- 0 0 2 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.855 119.9 -10.4-109.1 131.0 1.9 -5.4 13.1 57 57 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 134,-0.1 -0.513 115.9 81.1-106.1 55.9 -0.6 -5.1 14.8 58 58 A T < - 0 0 1 -3,-0.8 2,-0.2 27,-0.1 28,-0.1 -0.124 49.9-153.0-105.6-167.5 0.3 -1.8 16.3 59 59 A W > - 0 0 2 26,-0.1 3,-2.1 22,-0.1 4,-0.2 -0.873 54.8 -61.0-150.1-165.1 0.3 2.0 15.7 60 60 A S G > S+ 0 0 2 1,-0.3 3,-1.7 -2,-0.2 4,-0.3 0.685 117.8 81.3 -63.2 -13.3 2.2 5.1 16.8 61 61 A Y G > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.892 80.8 67.4 -52.4 -39.4 1.1 4.4 20.4 62 62 A L G < S+ 0 0 0 -3,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.723 98.1 50.9 -57.4 -23.1 4.0 1.9 20.4 63 63 A Y G X> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.2 3,-1.8 0.508 75.4 108.6 -94.6 1.7 6.5 4.8 20.2 64 64 A R T <4 S+ 0 0 6 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.1 0.780 80.9 47.4 -53.2 -30.2 4.9 6.7 23.2 65 65 A K T 34 S+ 0 0 42 -3,-0.3 4,-0.5 -4,-0.3 -1,-0.3 0.759 118.2 41.6 -81.1 -23.6 7.9 5.9 25.5 66 66 A M T <> S+ 0 0 0 -3,-1.8 4,-2.3 2,-0.1 5,-0.2 0.849 99.9 69.0 -92.3 -38.4 10.5 6.9 22.8 67 67 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.893 99.7 48.9 -52.2 -50.1 9.0 10.0 21.3 68 68 A P H > S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.935 111.8 50.5 -55.6 -44.4 9.5 12.2 24.5 69 69 A V H > S+ 0 0 11 -4,-0.5 4,-0.8 2,-0.2 -2,-0.2 0.950 113.5 43.6 -61.4 -51.2 13.2 11.1 24.7 70 70 A F H ><>S+ 0 0 0 -4,-2.3 5,-1.3 1,-0.2 3,-0.9 0.909 114.4 50.7 -60.6 -46.0 13.9 11.9 21.1 71 71 A A H ><5S+ 0 0 16 -4,-2.7 3,-1.9 1,-0.2 -28,-0.3 0.895 103.8 58.1 -59.6 -41.5 12.0 15.3 21.3 72 72 A E H 3<5S+ 0 0 160 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.743 96.1 64.0 -66.6 -17.6 13.9 16.3 24.5 73 73 A S T <<5S- 0 0 69 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.543 126.9 -97.7 -80.2 -5.1 17.2 16.0 22.6 74 74 A G T < 5S+ 0 0 44 -3,-1.9 -27,-0.2 1,-0.3 -26,-0.2 0.398 82.2 132.4 103.9 0.6 16.1 18.8 20.3 75 75 A A < - 0 0 2 -5,-1.3 -32,-0.6 -29,-0.1 2,-0.4 -0.296 58.0-120.4 -84.3 160.3 14.8 16.6 17.5 76 76 A R E -Cd 42 49B 39 -28,-3.0 -26,-3.2 -34,-0.2 2,-0.5 -0.851 27.7-155.9 -93.2 136.3 11.7 16.6 15.4 77 77 A V E -Cd 41 50B 1 -36,-3.0 -36,-2.3 -2,-0.4 2,-0.5 -0.959 9.9-172.2-120.3 118.7 9.7 13.3 15.7 78 78 A I E +Cd 40 51B 0 -28,-2.8 -26,-2.7 -2,-0.5 -38,-0.2 -0.955 6.3 175.9-109.2 120.2 7.3 12.1 13.0 79 79 A A E -C 39 0B 0 -40,-2.1 -40,-1.9 -2,-0.5 -19,-0.1 -0.790 12.0-170.3-128.1 85.0 5.2 9.0 13.9 80 80 A P E -C 38 0B 6 0, 0.0 2,-0.5 0, 0.0 -26,-0.5 -0.411 18.1-131.6 -75.7 147.9 2.7 8.1 11.1 81 81 A D - 0 0 0 -44,-2.7 -44,-0.3 -2,-0.1 2,-0.1 -0.890 24.2-125.3 -98.9 127.4 -0.1 5.6 11.3 82 82 A F > - 0 0 4 -2,-0.5 3,-2.1 -27,-0.1 6,-0.3 -0.449 37.7 -92.7 -62.6 143.1 -0.4 3.2 8.4 83 83 A F T 3 S+ 0 0 0 1,-0.3 7,-0.2 -2,-0.1 -1,-0.1 -0.374 120.3 36.3 -53.7 135.5 -3.8 3.1 6.6 84 84 A G T 3 S+ 0 0 0 5,-1.9 2,-0.3 1,-0.2 135,-0.3 0.224 113.4 79.3 100.4 -11.7 -5.7 0.3 8.3 85 85 A F S X S- 0 0 0 -3,-2.1 3,-1.9 4,-0.3 -1,-0.2 -0.906 89.0 -21.2-134.2 152.0 -4.1 1.2 11.6 86 86 A G T 3 S- 0 0 0 -2,-0.3 -79,-0.1 1,-0.3 -27,-0.1 -0.293 120.1 -19.6 58.8-123.3 -4.3 3.7 14.5 87 87 A K T 3 S+ 0 0 27 -50,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.073 111.3 104.3-104.5 15.0 -6.1 6.9 13.7 88 88 A S S < S- 0 0 1 -3,-1.9 -81,-0.3 -6,-0.3 -52,-0.2 -0.638 84.9 -86.0 -89.2 156.9 -5.7 6.6 10.0 89 89 A D - 0 0 8 -54,-2.6 -5,-1.9 -2,-0.2 -4,-0.3 -0.301 41.6-138.3 -62.1 149.8 -8.5 5.6 7.6 90 90 A K E -A 5 0A 0 -85,-3.0 -85,-2.9 -7,-0.2 127,-0.1 -0.885 4.7-138.2-122.1 96.4 -9.0 1.9 7.2 91 91 A P E -A 4 0A 2 0, 0.0 -87,-0.3 0, 0.0 127,-0.3 -0.305 11.6-145.0 -42.2 127.8 -9.7 0.3 3.8 92 92 A V S S+ 0 0 40 -89,-2.6 2,-0.6 125,-0.1 -88,-0.1 0.702 78.2 75.8 -75.8 -19.1 -12.5 -2.3 4.2 93 93 A D > - 0 0 86 -90,-0.6 3,-1.7 1,-0.1 4,-0.2 -0.848 66.5-153.6-103.3 121.8 -11.0 -4.6 1.5 94 94 A E G > S+ 0 0 32 -2,-0.6 3,-1.7 1,-0.3 -1,-0.1 0.826 94.0 63.7 -56.2 -36.1 -7.9 -6.7 2.2 95 95 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.669 89.7 67.8 -65.5 -17.3 -6.9 -6.8 -1.4 96 96 A D G < S+ 0 0 53 -3,-1.7 2,-0.7 -93,-0.1 -1,-0.3 0.526 87.2 85.4 -76.6 -5.2 -6.4 -3.0 -1.4 97 97 A Y < + 0 0 1 -3,-1.7 2,-0.3 -4,-0.2 3,-0.1 -0.851 56.5 148.6-105.8 114.0 -3.5 -3.6 0.9 98 98 A T > - 0 0 58 -2,-0.7 4,-1.8 1,-0.1 5,-0.2 -0.850 59.0-100.5-133.2 173.2 -0.2 -4.3 -0.7 99 99 A F H > S+ 0 0 1 -2,-0.3 4,-2.6 2,-0.2 3,-0.5 0.986 124.8 40.8 -55.3 -56.4 3.5 -3.9 -0.2 100 100 A E H > S+ 0 0 77 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.874 105.9 65.9 -67.0 -30.1 3.6 -0.9 -2.6 101 101 A F H > S+ 0 0 19 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.925 113.4 32.5 -54.1 -47.4 0.3 0.5 -1.2 102 102 A H H X S+ 0 0 1 -4,-1.8 4,-1.7 -3,-0.5 -2,-0.2 0.862 119.7 52.1 -78.1 -36.7 2.1 1.1 2.1 103 103 A R H X S+ 0 0 22 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.938 109.8 47.4 -66.2 -47.3 5.5 1.9 0.7 104 104 A N H X S+ 0 0 66 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.870 107.4 58.1 -65.7 -35.2 4.3 4.6 -1.7 105 105 A F H X S+ 0 0 1 -4,-1.1 4,-2.5 -5,-0.4 -1,-0.2 0.915 107.3 47.7 -53.2 -48.1 2.3 6.1 1.1 106 106 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.941 112.3 48.3 -63.2 -45.0 5.5 6.5 3.1 107 107 A L H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.927 111.9 50.3 -59.1 -42.1 7.3 8.0 0.0 108 108 A A H X S+ 0 0 14 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.894 111.3 48.2 -59.5 -45.7 4.3 10.4 -0.5 109 109 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.935 109.7 51.9 -63.6 -48.9 4.4 11.5 3.2 110 110 A I H X>S+ 0 0 5 -4,-2.6 5,-2.2 1,-0.2 4,-0.6 0.897 114.6 43.8 -56.9 -41.7 8.2 12.1 3.2 111 111 A E H <5S+ 0 0 129 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.947 112.2 52.1 -67.7 -46.0 7.8 14.3 0.1 112 112 A R H <5S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.901 120.2 33.2 -58.3 -46.0 4.7 16.2 1.4 113 113 A L H <5S- 0 0 32 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.593 105.4-134.5 -84.5 -10.0 6.4 17.1 4.7 114 114 A D T <5 - 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0 0 19 -3,-2.5 2,-0.2 -7,-0.2 -3,-0.0 -0.270 62.9-130.0 -54.7 137.5 1.7 -4.5 29.1 199 199 A T > - 0 0 68 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.524 28.0-103.7 -81.8 164.8 -0.8 -3.2 31.7 200 200 A E H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.904 123.1 48.8 -56.2 -41.1 -4.6 -3.6 31.2 201 201 A A H > S+ 0 0 48 2,-0.2 4,-1.4 1,-0.2 -185,-0.3 0.854 111.2 48.8 -67.5 -39.6 -4.9 0.1 30.1 202 202 A E H > S+ 0 0 14 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.947 110.5 51.2 -66.9 -43.2 -1.9 -0.1 27.7 203 203 A A H >X S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 4,-0.6 0.897 105.9 53.8 -62.2 -40.3 -3.3 -3.3 26.1 204 204 A S H >X S+ 0 0 57 -4,-1.9 4,-2.1 1,-0.3 3,-1.4 0.894 98.3 65.0 -68.7 -29.7 -6.8 -1.8 25.5 205 205 A A H 3< S+ 0 0 2 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.803 98.7 55.0 -59.4 -27.8 -5.1 1.2 23.7 206 206 A Y H << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.705 110.5 44.6 -78.4 -17.7 -4.0 -1.4 21.1 207 207 A A H X< S+ 0 0 18 -3,-1.4 3,-2.3 -4,-0.6 -2,-0.2 0.729 90.0 90.5 -93.5 -19.6 -7.7 -2.5 20.6 208 208 A A T 3< S+ 0 0 7 -4,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.784 80.4 56.2 -42.7 -46.4 -8.9 1.2 20.5 209 209 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 102.4 62.3 -64.4 -17.3 -8.6 1.5 16.6 210 210 A F < + 0 0 12 -3,-2.3 -23,-0.1 1,-0.2 3,-0.1 -0.721 49.4 171.4-121.6 81.3 -10.9 -1.5 16.0 211 211 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.876 80.4 -15.2 -52.1 -41.3 -14.6 -1.2 17.3 212 212 A D S > S- 0 0 86 -28,-0.0 3,-2.7 0, 0.0 4,-0.3 -0.975 86.7 -77.5-154.7 176.4 -15.3 -4.5 15.4 213 213 A T G > S+ 0 0 60 1,-0.3 3,-1.8 -2,-0.3 4,-0.1 0.672 114.9 75.1 -55.2 -19.0 -13.8 -6.8 12.7 214 214 A S G 3 S+ 0 0 57 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.675 95.5 52.4 -68.6 -12.8 -14.9 -4.5 9.9 215 215 A Y G < S+ 0 0 38 -3,-2.7 3,-0.3 1,-0.2 -1,-0.3 0.454 96.9 71.4 -96.4 -0.4 -12.0 -2.2 10.9 216 216 A Q <> + 0 0 7 -3,-1.8 4,-2.4 -4,-0.3 5,-0.2 0.240 53.2 110.3-106.7 15.6 -9.4 -5.1 10.8 217 217 A A H > S+ 0 0 1 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.902 87.3 46.1 -58.9 -38.1 -8.9 -5.8 7.1 218 218 A G H > S+ 0 0 1 -127,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.833 108.3 55.0 -70.8 -34.7 -5.4 -4.3 7.3 219 219 A V H 4 S+ 0 0 0 -135,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 111.5 46.4 -67.1 -37.7 -4.6 -6.2 10.5 220 220 A R H X S+ 0 0 61 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.899 109.6 53.6 -70.7 -37.4 -5.5 -9.5 8.7 221 221 A K H X S+ 0 0 21 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.862 93.2 68.9 -69.8 -36.6 -3.5 -8.8 5.5 222 222 A F H X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.890 101.9 44.7 -53.4 -47.4 -0.1 -8.0 7.0 223 223 A P H >> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-0.5 0.918 112.4 53.4 -62.5 -41.0 0.6 -11.7 8.1 224 224 A K H 3X S+ 0 0 62 -4,-1.0 4,-2.9 1,-0.2 -2,-0.2 0.883 105.7 53.8 -61.1 -38.1 -0.6 -13.0 4.7 225 225 A M H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 2,-0.2 -3,-0.1 0.766 105.8 52.8 -69.5 -28.3 1.9 -10.7 3.0 226 226 A V H << S+ 0 0 3 -4,-1.1 3,-0.4 -3,-0.5 -1,-0.2 0.921 114.7 41.9 -68.1 -44.9 4.8 -12.1 5.0 227 227 A A H < S+ 0 0 33 -4,-1.9 2,-0.7 1,-0.2 -2,-0.2 0.912 122.2 40.1 -69.2 -42.3 3.8 -15.6 4.0 228 228 A Q S < S- 0 0 136 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.720 75.1-169.9-115.6 81.6 3.1 -14.7 0.3 229 229 A R - 0 0 38 -2,-0.7 2,-0.1 -3,-0.4 -3,-0.1 -0.554 13.9-143.6 -70.5 118.2 5.6 -12.2 -0.9 230 230 A D > - 0 0 65 -2,-0.5 4,-2.3 -5,-0.1 3,-0.4 -0.477 26.6-102.7 -78.5 161.7 4.7 -10.7 -4.4 231 231 A Q H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.818 120.8 52.5 -55.2 -38.9 7.3 -9.9 -7.1 232 232 A A H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.936 110.8 49.3 -62.1 -42.6 7.3 -6.2 -6.5 233 233 A C H > S+ 0 0 3 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.951 113.6 45.2 -61.9 -49.3 8.0 -6.9 -2.8 234 234 A I H X S+ 0 0 26 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.947 113.5 48.9 -61.5 -49.1 10.9 -9.3 -3.6 235 235 A D H X S+ 0 0 91 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.936 115.5 43.0 -58.9 -46.0 12.5 -7.1 -6.2 236 236 A I H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.938 116.5 48.3 -68.1 -42.5 12.4 -3.9 -4.0 237 237 A S H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.3 -84,-0.2 0.908 113.2 46.2 -63.2 -43.3 13.5 -5.9 -0.9 238 238 A T H X S+ 0 0 42 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.850 112.7 50.4 -69.8 -35.6 16.5 -7.6 -2.7 239 239 A E H X S+ 0 0 118 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.844 104.2 60.0 -69.6 -32.9 17.6 -4.3 -4.3 240 240 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.900 96.1 62.5 -61.5 -37.0 17.4 -2.7 -0.8 241 241 A I H X S+ 0 0 15 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.943 101.2 50.2 -53.7 -47.8 20.1 -5.3 0.4 242 242 A S H X>S+ 0 0 57 -4,-1.0 4,-2.5 1,-0.2 5,-0.8 0.862 108.5 53.5 -63.9 -34.0 22.6 -3.9 -2.1 243 243 A F H X>S+ 0 0 13 -4,-1.3 5,-2.6 3,-0.2 4,-1.3 0.964 110.7 45.8 -61.7 -50.2 21.9 -0.4 -0.8 244 244 A W H <5S+ 0 0 1 -4,-2.3 32,-2.7 3,-0.2 -2,-0.2 0.853 119.1 41.2 -64.2 -36.6 22.6 -1.4 2.8 245 245 A Q H <5S+ 0 0 104 -4,-2.5 -2,-0.2 30,-0.2 -1,-0.2 0.963 132.9 15.0 -73.1 -52.5 25.8 -3.3 2.0 246 246 A N H <5S+ 0 0 93 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.864 129.3 34.4 -98.1 -42.1 27.3 -0.9 -0.5 247 247 A D T < - 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0 0 39 -4,-2.0 3,-0.5 1,-0.1 -1,-0.3 -0.658 61.0-179.3-151.1 90.9 66.9 23.2 39.8 470 159 B P T >> S+ 0 0 81 0, 0.0 4,-2.9 0, 0.0 3,-2.3 0.877 81.0 68.5 -58.7 -34.8 65.9 26.5 38.1 471 160 B A H 3> S+ 0 0 26 1,-0.3 4,-0.7 2,-0.2 106,-0.0 0.924 96.3 53.7 -48.7 -45.2 66.0 24.9 34.6 472 161 B F H <4 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.2 106,-0.1 0.367 118.5 34.3 -81.4 8.7 63.0 22.7 35.4 473 162 B S H X> S+ 0 0 18 -3,-2.3 3,-2.3 -7,-0.1 4,-0.5 0.592 94.0 82.9-127.2 -27.8 60.9 25.8 36.5 474 163 B A H >X S+ 0 0 57 -4,-2.9 4,-1.3 1,-0.3 3,-1.2 0.803 86.5 59.5 -53.3 -31.1 62.0 28.6 34.1 475 164 B F H 3< S+ 0 0 14 -4,-0.7 8,-0.4 1,-0.3 -1,-0.3 0.757 90.4 69.1 -72.6 -20.6 59.7 27.5 31.3 476 165 B V H <4 S+ 0 0 42 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.740 105.2 45.1 -67.8 -19.5 56.6 27.9 33.5 477 166 B T H << S+ 0 0 105 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.876 111.9 79.8 -83.5 -46.6 57.5 31.7 33.2 478 167 B Q < + 0 0 134 -4,-1.3 -1,-0.3 1,-0.1 2,-0.1 -0.974 62.4 13.7-166.7 171.7 58.1 31.9 29.4 479 168 B P > > - 0 0 62 0, 0.0 3,-2.5 0, 0.0 5,-0.7 0.488 56.0-138.1 -77.8 160.8 58.2 32.0 26.3 480 169 B A T 3 >S+ 0 0 78 1,-0.3 5,-1.2 4,-0.1 -2,-0.0 0.885 104.8 48.2 -52.6 -40.2 54.5 33.0 25.6 481 170 B D T 3 5S+ 0 0 83 3,-0.2 -1,-0.3 4,-0.1 91,-0.1 0.315 113.6 58.0 -80.4 3.9 54.2 30.7 22.7 482 171 B G T <>5S- 0 0 0 -3,-2.5 4,-2.8 90,-0.1 5,-0.1 0.485 122.5 -10.8 -98.6-114.2 55.7 27.9 24.8 483 172 B W H >5S+ 0 0 16 -8,-0.4 4,-3.4 1,-0.2 5,-0.3 0.868 133.3 56.4 -57.5 -44.3 54.3 26.7 28.2 484 173 B T H >X S+ 0 0 59 -4,-3.4 4,-2.6 2,-0.2 3,-0.8 0.919 113.1 53.3 -69.3 -44.2 48.7 25.3 29.2 488 177 B Y H 3X S+ 0 0 152 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.924 108.6 50.9 -56.3 -44.8 46.1 27.8 27.7 489 178 B D H 3< S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.667 117.1 39.0 -66.4 -24.9 45.1 25.4 25.0 490 179 B L H << S+ 0 0 1 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.849 123.8 30.2 -95.9 -42.1 44.6 22.5 27.4 491 180 B V H < S+ 0 0 37 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.638 116.0 51.4 -98.0 -16.6 42.9 24.0 30.5 492 181 B T S < S+ 0 0 73 -4,-1.6 2,-0.5 -5,-0.4 -3,-0.1 0.728 83.1 91.9 -97.7 -23.1 40.9 27.0 29.1 493 182 B P - 0 0 47 0, 0.0 3,-0.4 0, 0.0 -4,-0.0 -0.586 50.2-166.1 -72.1 123.9 38.8 25.5 26.2 494 183 B S S S+ 0 0 108 -2,-0.5 2,-0.5 1,-0.3 30,-0.2 0.746 93.6 51.7 -74.1 -22.3 35.4 24.2 27.2 495 184 B D S S- 0 0 103 28,-0.1 2,-1.0 -3,-0.1 -1,-0.3 -0.599 82.3-174.8-110.3 67.8 35.4 22.5 23.8 496 185 B L - 0 0 14 -2,-0.5 2,-1.0 -3,-0.4 -6,-0.1 -0.501 8.0-172.3 -76.2 103.7 38.7 20.7 24.0 497 186 B R > - 0 0 117 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 -0.750 1.9-172.0 -92.8 99.1 39.5 19.0 20.6 498 187 B L H > S+ 0 0 2 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.849 83.7 56.0 -70.1 -31.7 42.6 16.8 21.4 499 188 B D H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.963 110.1 45.3 -60.4 -47.3 43.1 15.9 17.7 500 189 B Q H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.933 114.2 49.9 -62.3 -42.6 43.2 19.6 16.7 501 190 B F H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 3,-0.5 0.931 111.6 47.6 -58.9 -50.6 45.5 20.3 19.7 502 191 B M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 7,-0.2 0.850 106.4 57.2 -64.0 -35.4 47.9 17.4 18.7 503 192 B K H < S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.830 110.7 46.5 -62.2 -31.7 47.9 18.6 15.0 504 193 B R H < S+ 0 0 171 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.919 120.6 34.8 -73.1 -48.2 49.2 22.0 16.3 505 194 B W H < S+ 0 0 37 -4,-2.2 95,-0.4 1,-0.2 96,-0.3 0.672 128.8 35.4 -86.8 -15.8 51.9 20.6 18.7 506 195 B A S >< S+ 0 0 7 -4,-2.4 3,-2.5 -5,-0.2 -1,-0.2 -0.535 74.2 179.7-131.8 70.0 52.9 17.6 16.5 507 196 B P T 3 S+ 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.385 72.4 63.9 -64.6 2.4 52.5 19.1 13.0 508 197 B T T 3 S+ 0 0 90 2,-0.1 -5,-0.1 -2,-0.0 -2,-0.0 0.503 75.2 116.9 -97.7 -9.0 53.6 15.9 11.1 509 198 B L < - 0 0 19 -3,-2.5 2,-0.2 -7,-0.2 -3,-0.0 -0.273 63.2-130.3 -56.1 138.1 50.6 13.8 12.4 510 199 B T > - 0 0 69 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.529 28.3-103.4 -81.4 164.1 48.2 12.6 9.7 511 200 B E H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.907 123.2 49.0 -55.7 -40.4 44.4 13.2 10.1 512 201 B A H > S+ 0 0 45 2,-0.2 4,-1.4 1,-0.2 -185,-0.3 0.868 111.1 48.9 -68.3 -38.5 43.9 9.5 11.2 513 202 B E H > S+ 0 0 14 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.952 110.3 51.5 -65.8 -44.3 46.7 9.6 13.7 514 203 B A H >X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.899 105.5 53.9 -61.8 -40.5 45.4 12.8 15.3 515 204 B S H >X S+ 0 0 55 -4,-1.9 4,-2.0 1,-0.3 3,-1.6 0.902 97.9 65.6 -67.5 -30.9 41.9 11.5 15.7 516 205 B A H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.821 98.1 55.0 -57.1 -28.9 43.4 8.5 17.6 517 206 B Y H << S+ 0 0 1 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.719 110.3 44.7 -78.8 -16.6 44.5 11.1 20.2 518 207 B A H X< S+ 0 0 17 -3,-1.6 3,-2.3 -4,-0.6 -2,-0.2 0.716 89.4 90.6 -95.1 -19.1 40.8 12.3 20.5 519 208 B A T 3< S+ 0 0 8 -4,-2.0 -2,-0.1 1,-0.3 -3,-0.1 0.806 80.5 56.7 -44.3 -44.6 39.4 8.7 20.6 520 209 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 102.2 61.7 -64.0 -17.7 39.6 8.4 24.5 521 210 B F < + 0 0 13 -3,-2.3 -23,-0.1 1,-0.2 3,-0.1 -0.710 49.5 171.7-122.7 81.7 37.4 11.5 25.0 522 211 B P S S- 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.876 80.6 -15.8 -52.8 -39.9 33.8 11.4 23.7 523 212 B D S > S- 0 0 76 -215,-0.1 3,-2.8 -28,-0.0 4,-0.2 -0.979 86.8 -76.7-156.7 176.1 33.2 14.7 25.5 524 213 B T G > S+ 0 0 58 1,-0.3 3,-1.8 -2,-0.3 4,-0.2 0.663 114.9 74.7 -56.1 -18.0 34.6 16.9 28.2 525 214 B S G 3 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.666 95.6 52.6 -69.0 -12.9 33.4 14.7 31.0 526 215 B Y G < S+ 0 0 9 -3,-2.8 3,-0.3 1,-0.1 -1,-0.3 0.439 96.9 71.5 -96.8 0.4 36.2 12.3 30.1 527 216 B Q <> + 0 0 6 -3,-1.8 4,-2.4 -4,-0.2 3,-0.3 0.299 53.1 110.2-105.8 13.3 38.9 15.0 30.3 528 217 B A H > S+ 0 0 1 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.893 86.9 46.4 -56.9 -39.2 39.3 15.7 34.1 529 218 B G H > S+ 0 0 1 -127,-0.3 4,-1.4 -3,-0.3 -1,-0.2 0.836 108.2 54.9 -68.3 -36.1 42.7 14.1 34.0 530 219 B V H 4 S+ 0 0 0 -135,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.892 111.3 46.7 -66.7 -36.7 43.8 16.0 30.8 531 220 B R H X S+ 0 0 63 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.899 109.4 53.6 -73.0 -36.3 42.9 19.3 32.6 532 221 B K H X S+ 0 0 19 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.842 93.2 68.6 -69.2 -35.3 44.7 18.5 35.9 533 222 B F H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.900 101.9 44.9 -55.9 -46.1 48.2 17.6 34.4 534 223 B P H >> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.940 112.4 53.0 -63.5 -41.9 49.1 21.2 33.3 535 224 B K H 3X S+ 0 0 61 -4,-1.0 4,-3.0 1,-0.3 -2,-0.2 0.886 105.8 54.1 -59.3 -39.3 47.8 22.6 36.6 536 225 B M H 3< S+ 0 0 13 -4,-2.4 -1,-0.3 2,-0.2 -3,-0.1 0.755 105.8 52.6 -69.1 -27.1 50.1 20.1 38.5 537 226 B V H << S+ 0 0 3 -4,-1.1 3,-0.4 -3,-0.6 -1,-0.2 0.933 114.7 41.9 -69.4 -44.2 53.2 21.4 36.6 538 227 B A H < S+ 0 0 32 -4,-2.0 2,-0.7 1,-0.2 -2,-0.2 0.912 122.2 40.1 -68.7 -43.7 52.3 24.9 37.6 539 228 B Q S < S- 0 0 138 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.737 75.1-169.7-114.6 81.3 51.4 24.1 41.2 540 229 B R - 0 0 35 -2,-0.7 2,-0.1 -3,-0.4 -3,-0.1 -0.564 14.1-143.6 -70.9 116.9 53.8 21.5 42.6 541 230 B D > - 0 0 67 -2,-0.5 4,-2.3 -5,-0.1 3,-0.5 -0.452 26.0-102.8 -76.8 161.8 52.7 20.1 45.9 542 231 B Q H > S+ 0 0 117 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.825 120.7 52.5 -55.3 -39.3 55.1 19.2 48.8 543 232 B A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.932 110.7 49.2 -61.2 -42.9 54.9 15.5 48.2 544 233 B C H > S+ 0 0 3 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.955 113.6 45.4 -62.3 -49.1 55.8 16.1 44.5 545 234 B I H X S+ 0 0 26 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.949 113.4 48.8 -61.5 -49.2 58.8 18.3 45.4 546 235 B D H X S+ 0 0 89 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.937 115.5 43.0 -59.4 -45.8 60.2 16.1 48.1 547 236 B I H X S+ 0 0 19 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.932 116.5 48.4 -67.5 -42.1 60.0 12.9 45.9 548 237 B S H X S+ 0 0 0 -4,-2.7 4,-1.3 -85,-0.3 -84,-0.2 0.909 113.2 46.2 -63.8 -43.3 61.4 14.8 42.8 549 238 B T H X S+ 0 0 42 -4,-3.1 4,-1.0 -5,-0.2 -1,-0.2 0.862 112.8 50.4 -68.9 -36.1 64.3 16.4 44.8 550 239 B E H X S+ 0 0 119 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.852 104.2 59.9 -69.7 -33.7 65.1 13.0 46.4 551 240 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 96.2 62.3 -60.3 -37.9 65.1 11.4 42.9 552 241 B I H X S+ 0 0 14 -4,-1.3 4,-2.4 1,-0.2 5,-0.2 0.934 101.3 50.3 -53.0 -47.9 67.9 13.8 41.8 553 242 B S H X>S+ 0 0 56 -4,-1.0 4,-2.6 1,-0.2 5,-0.8 0.858 108.6 53.4 -63.6 -34.2 70.3 12.3 44.4 554 243 B F H X>S+ 0 0 14 -4,-1.3 5,-2.5 3,-0.2 4,-1.3 0.966 110.6 45.9 -61.9 -50.8 69.4 8.8 43.1 555 244 B W H <5S+ 0 0 0 -4,-2.3 32,-2.7 3,-0.2 -2,-0.2 0.856 119.2 41.0 -63.2 -36.9 70.3 9.8 39.5 556 245 B Q H <5S+ 0 0 101 -4,-2.4 -2,-0.2 30,-0.2 -1,-0.2 0.962 132.9 15.3 -72.7 -52.7 73.5 11.5 40.5 557 246 B N H <5S+ 0 0 95 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.860 129.3 34.5 -98.2 -42.0 74.8 9.1 43.1 558 247 B D T < - 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0 0 11 -3,-2.3 -1,-0.2 -6,-0.4 -25,-0.1 -0.553 27.1-146.0 -63.2 117.3 74.5 9.8 30.7 590 279 B P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 0.067 38.9 -52.5 -72.9-172.8 76.3 9.8 27.3 591 280 B E - 0 0 175 1,-0.1 -26,-0.2 -27,-0.0 2,-0.1 -0.504 67.9-113.0 -61.4 125.3 76.1 12.3 24.4 592 281 B P - 0 0 14 0, 0.0 2,-0.9 0, 0.0 -26,-0.2 -0.330 15.9-123.1 -61.6 138.0 72.3 12.9 23.6 593 282 B L E -p 566 0D 40 -28,-3.0 -26,-2.4 -2,-0.1 2,-0.9 -0.766 30.5-153.1 -77.7 109.9 70.9 11.8 20.2 594 283 B E E -p 567 0D 93 -2,-0.9 2,-1.2 -28,-0.2 -26,-0.2 -0.777 5.7-159.4 -89.9 102.1 69.6 15.2 19.0 595 284 B I E > -p 568 0D 6 -28,-2.5 -26,-1.6 -2,-0.9 3,-1.3 -0.707 4.8-164.9 -84.1 101.6 66.6 14.6 16.6 596 285 B A T 3 S+ 0 0 67 -2,-1.2 -1,-0.2 1,-0.2 -28,-0.1 0.745 82.8 45.8 -55.5 -32.6 66.6 17.9 14.7 597 286 B D T 3 S+ 0 0 110 -28,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.468 93.3 97.3 -93.8 -6.1 63.1 17.4 13.2 598 287 B A < - 0 0 0 -3,-1.3 -28,-2.9 -31,-0.2 -27,-0.4 -0.636 49.5-170.9 -90.4 137.3 61.4 16.3 16.3 599 288 B G - 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