==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 31-AUG-06 2J4G . COMPND 2 MOLECULE: HYALURONOGLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR R.J.DENNIS,G.J.DAVIES . 1166 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 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 . 1 0.1 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 . 61 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 0 0 2 4 2 2 4 2 4 1 3 0 0 2 0 0 2 0 2 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 3 4 0 12 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A S 0 0 101 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.5 26.3 14.3 24.7 2 5 A L - 0 0 32 4,-0.0 101,-0.1 105,-0.0 400,-0.0 -0.691 360.0-131.1 -77.4 148.3 27.6 11.3 26.8 3 6 A Q S S+ 0 0 5 1,-0.7 151,-0.1 -2,-0.3 383,-0.1 -0.942 91.3 23.4 134.8 71.7 25.1 8.9 27.4 4 7 A P S S- 0 0 2 0, 0.0 -1,-0.7 0, 0.0 382,-0.1 0.635 102.8-121.2 -68.4 159.9 24.7 7.9 30.1 5 8 A P - 0 0 26 0, 0.0 -2,-0.1 0, 0.0 388,-0.1 -0.500 30.0-114.4 -73.6 130.4 26.3 11.0 31.8 6 9 A P - 0 0 10 0, 0.0 3,-0.2 0, 0.0 114,-0.1 -0.207 15.2-122.2 -62.9 152.2 29.3 10.0 34.0 7 10 A Q S S+ 0 0 45 1,-0.2 2,-0.4 114,-0.1 113,-0.2 0.893 98.9 18.5 -58.7 -42.6 29.2 10.6 37.8 8 11 A Q E S+A 119 0A 90 111,-1.6 111,-1.8 2,-0.0 2,-0.4 -0.997 71.3 171.5-137.8 130.7 32.3 12.8 37.6 9 12 A L E -A 118 0A 76 -2,-0.4 2,-0.4 109,-0.2 109,-0.2 -0.991 12.0-175.7-144.5 131.3 33.8 14.6 34.7 10 13 A I E -A 117 0A 69 107,-2.1 107,-1.8 -2,-0.4 2,-0.5 -0.984 13.7-163.3-125.9 116.2 36.5 17.1 34.3 11 14 A V E -A 116 0A 71 -2,-0.4 2,-0.4 105,-0.2 105,-0.2 -0.888 6.4-159.2-105.8 122.0 37.1 18.5 30.8 12 15 A Q E -A 115 0A 96 103,-3.1 103,-0.8 -2,-0.5 -2,-0.0 -0.813 27.1-126.6 -89.7 140.9 40.3 20.3 29.9 13 16 A N E S+ 0 0 162 -2,-0.4 2,-0.2 101,-0.1 -1,-0.1 0.437 81.7 101.5 -79.3 8.9 39.7 22.4 26.8 14 17 A K E - 0 0 108 101,-0.2 101,-2.2 100,-0.0 2,-0.4 -0.520 58.4-157.3 -75.3 150.1 42.7 20.8 25.1 15 18 A T E -A 114 0A 92 99,-0.3 2,-0.2 -2,-0.2 -2,-0.0 -0.997 6.0-159.1-131.0 139.2 42.0 18.1 22.5 16 19 A I E -A 113 0A 13 97,-2.6 97,-2.9 -2,-0.4 2,-0.3 -0.728 21.6-105.1-114.7 162.0 44.6 15.4 21.5 17 20 A D E -A 112 0A 103 -2,-0.2 95,-0.2 95,-0.2 94,-0.1 -0.639 35.5-108.6 -84.2 142.0 44.9 13.1 18.5 18 21 A L - 0 0 31 93,-2.1 -1,-0.1 -2,-0.3 2,-0.0 -0.601 60.9 -88.5 -63.6 128.2 44.1 9.5 18.6 19 22 A P - 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.209 30.6-160.7 -56.7 121.3 47.6 8.0 18.5 20 23 A A S S+ 0 0 90 1,-0.3 2,-0.4 22,-0.1 -2,-0.0 0.905 93.9 20.1 -59.0 -45.1 49.0 7.3 15.0 21 24 A V S S+ 0 0 67 2,-0.0 31,-1.6 26,-0.0 2,-0.3 -0.996 86.4 174.5-127.7 137.1 51.4 5.0 16.8 22 25 A Y E -bc 46 52A 18 23,-2.2 25,-1.7 -2,-0.4 2,-0.5 -0.912 31.0-130.9-141.7 162.7 50.7 3.6 20.3 23 26 A Q E - c 0 53A 70 29,-3.4 31,-2.7 -2,-0.3 2,-0.6 -0.959 24.3-150.6-120.1 110.9 51.9 1.3 23.1 24 27 A L E - c 0 54A 27 -2,-0.5 2,-0.5 29,-0.2 31,-0.2 -0.727 12.7-174.0 -89.0 122.7 49.2 -1.1 24.5 25 28 A N E + c 0 55A 65 29,-2.8 31,-2.7 -2,-0.6 -2,-0.0 -0.952 68.8 15.5-116.6 121.3 49.6 -2.2 28.1 26 29 A G S >> S+ 0 0 9 -2,-0.5 4,-2.8 29,-0.2 3,-1.9 0.370 73.6 135.0 103.4 -3.4 47.2 -4.8 29.6 27 30 A G T 34 S+ 0 0 13 1,-0.3 8,-0.1 2,-0.2 -2,-0.1 0.677 80.6 38.9 -47.2 -26.0 45.8 -6.2 26.4 28 31 A E T 34 S+ 0 0 182 1,-0.1 -1,-0.3 7,-0.0 -3,-0.0 0.495 120.4 44.1-106.2 -7.2 46.2 -9.7 27.6 29 32 A E T <4 S+ 0 0 79 -3,-1.9 -2,-0.2 27,-0.2 29,-0.2 0.636 99.6 79.8-108.8 -28.5 45.2 -9.1 31.3 30 33 A A S < S- 0 0 6 -4,-2.8 27,-0.1 26,-0.2 64,-0.1 -0.234 100.6 -63.6 -82.7 170.4 42.1 -6.9 30.8 31 34 A N >> - 0 0 3 1,-0.2 4,-2.7 63,-0.1 3,-1.1 -0.409 42.7-144.9 -55.6 112.5 38.5 -7.8 29.9 32 35 A P H 3> S+ 0 0 84 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.802 100.8 56.8 -52.9 -34.4 38.6 -9.3 26.4 33 36 A H H 3> S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.843 111.6 43.4 -63.4 -36.7 35.2 -7.7 25.5 34 37 A A H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.910 112.7 50.6 -73.3 -45.4 36.8 -4.4 26.4 35 38 A V H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.884 107.4 56.0 -58.2 -42.2 40.1 -5.1 24.5 36 39 A K H X S+ 0 0 112 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.958 109.3 44.9 -51.0 -58.8 37.9 -6.1 21.5 37 40 A V H X S+ 0 0 23 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.901 114.3 50.3 -52.5 -46.4 36.2 -2.7 21.5 38 41 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.911 109.5 49.4 -62.5 -45.0 39.5 -0.9 22.0 39 42 A K H < S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.9 53.7 -66.2 -30.3 41.2 -2.7 19.2 40 43 A E H < S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.913 106.6 51.6 -68.7 -41.8 38.3 -1.9 16.8 41 44 A L H < S+ 0 0 46 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 0.694 103.2 76.9 -65.7 -20.2 38.6 1.8 17.6 42 45 A L < - 0 0 17 -4,-0.9 2,-0.6 -3,-0.2 3,-0.1 -0.804 57.2-167.2-102.7 128.5 42.4 1.7 16.8 43 46 A S - 0 0 116 -2,-0.4 -3,-0.1 1,-0.3 -4,-0.0 -0.823 52.4 -72.1-112.2 90.6 44.0 1.5 13.3 44 47 A G S S+ 0 0 22 -2,-0.6 -1,-0.3 -5,-0.2 2,-0.0 0.672 70.4 100.4 19.1 171.8 47.6 0.6 14.1 45 48 A K - 0 0 152 -23,-0.1 -23,-2.2 -24,-0.1 2,-0.2 0.571 30.3-158.1-116.9 158.9 50.4 0.4 14.8 46 49 A Q B -b 22 0A 102 -25,-0.2 2,-0.3 -23,-0.1 -23,-0.2 -0.590 19.1-174.5 -72.0 140.4 51.5 -1.3 18.1 47 50 A S > - 0 0 33 -25,-1.7 3,-1.2 -2,-0.2 4,-0.2 -0.798 31.5-177.4-148.4 102.5 55.0 -0.2 19.3 48 51 A S T 3 S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 -25,-0.1 0.871 97.4 63.2 -54.0 -36.8 57.1 -1.5 22.2 49 52 A K T 3 S- 0 0 71 -3,-0.1 -1,-0.2 1,-0.0 -26,-0.1 0.735 122.5 -84.5 -59.5 -27.2 59.4 1.3 21.0 50 53 A K < + 0 0 40 -3,-1.2 2,-0.2 -28,-0.2 -2,-0.1 0.676 55.0 163.4 75.9 127.9 56.6 3.8 21.9 51 54 A G - 0 0 25 -4,-0.2 -29,-0.3 -30,-0.1 2,-0.2 0.140 66.9 -49.5 93.5 117.3 54.2 5.1 21.0 52 55 A M E -c 22 0A 41 -31,-1.6 -29,-3.4 -2,-0.2 2,-0.4 -0.541 67.3-113.9 -65.3 135.3 51.7 6.9 23.3 53 56 A L E -cd 23 86A 41 32,-0.8 34,-2.5 -2,-0.2 2,-0.5 -0.633 31.3-174.4 -80.8 127.7 50.9 4.6 26.2 54 57 A I E -cd 24 87A 1 -31,-2.7 -29,-2.8 -2,-0.4 2,-0.5 -0.989 9.3-161.9-116.8 117.7 47.3 3.3 26.5 55 58 A S E +cd 25 88A 0 32,-3.0 34,-2.8 -2,-0.5 2,-0.4 -0.897 10.8 177.7-106.6 127.1 46.7 1.3 29.7 56 59 A I E + d 0 89A 0 -31,-2.7 2,-0.3 -2,-0.5 34,-0.2 -0.986 23.4 98.1-127.7 134.6 43.7 -1.1 30.0 57 60 A G E - d 0 90A 0 32,-1.8 34,-2.4 -2,-0.4 2,-0.2 -0.944 57.9 -88.0 171.4 175.8 42.7 -3.3 32.9 58 61 A E E > - d 0 91A 14 -2,-0.3 3,-3.0 32,-0.2 6,-0.3 -0.667 62.5 -77.4 -98.1 157.7 40.7 -4.1 36.1 59 62 A K T 3 S+ 0 0 103 32,-1.9 3,-0.1 1,-0.3 -1,-0.1 -0.374 126.3 35.8 -56.4 125.1 41.8 -3.2 39.6 60 63 A G T 3 S+ 0 0 70 1,-0.5 -1,-0.3 -2,-0.1 2,-0.1 -0.005 88.6 121.2 109.9 -28.0 44.4 -5.8 40.4 61 64 A D X - 0 0 24 -3,-3.0 3,-0.9 1,-0.1 -1,-0.5 -0.462 68.1-131.1 -68.4 141.9 45.8 -5.9 36.9 62 65 A K G > S+ 0 0 126 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.742 104.1 64.9 -60.1 -26.8 49.5 -5.0 36.5 63 66 A S G 3 S+ 0 0 5 1,-0.2 -1,-0.2 -7,-0.2 3,-0.2 0.786 109.8 34.5 -68.6 -30.1 48.6 -2.6 33.7 64 67 A V G X S+ 0 0 1 -3,-0.9 3,-1.4 -6,-0.3 -1,-0.2 0.199 79.0 117.2-116.3 12.6 46.6 -0.3 35.9 65 68 A R G X S+ 0 0 154 -3,-0.6 3,-1.2 -4,-0.3 4,-0.1 0.840 73.1 57.0 -45.8 -44.6 48.6 -0.5 39.2 66 69 A K G 3 S+ 0 0 174 1,-0.3 3,-0.3 -4,-0.2 -1,-0.2 0.784 109.7 45.3 -64.3 -26.1 49.6 3.2 39.1 67 70 A Y G X> S+ 0 0 24 -3,-1.4 4,-0.9 1,-0.2 3,-0.5 0.054 71.0 115.5-112.0 27.3 45.9 4.3 39.0 68 71 A S T <4 S+ 0 0 48 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.724 76.0 55.8 -71.6 -20.5 44.3 2.2 41.6 69 72 A R T 34 S+ 0 0 221 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.800 105.4 54.9 -73.4 -31.8 43.4 5.2 43.8 70 73 A Q T <4 S+ 0 0 42 -3,-0.5 -2,-0.2 -4,-0.1 -1,-0.2 0.719 84.9 96.0 -75.5 -27.7 41.6 6.7 40.9 71 74 A I S < S- 0 0 8 -4,-0.9 8,-0.1 8,-0.1 20,-0.1 -0.543 82.8-117.6 -71.7 117.7 39.3 3.7 40.2 72 75 A P - 0 0 17 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.265 17.2-128.6 -58.2 136.1 35.9 4.1 41.9 73 76 A D S S+ 0 0 133 -4,-0.1 2,-0.3 3,-0.1 48,-0.1 -0.486 73.0 106.2 -87.4 66.3 35.2 1.5 44.5 74 77 A H S > S- 0 0 83 -2,-1.9 3,-2.1 46,-0.1 18,-0.2 -0.992 81.9 -92.9-140.4 144.0 31.8 0.6 43.1 75 78 A K T 3 S+ 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.349 115.4 10.5 -51.5 129.9 30.6 -2.5 41.1 76 79 A E T 3 S+ 0 0 15 1,-0.2 -1,-0.3 45,-0.1 23,-0.1 0.550 99.9 141.9 71.0 7.7 30.9 -1.6 37.3 77 80 A G < + 0 0 0 -3,-2.1 15,-2.5 -5,-0.2 16,-0.6 -0.268 24.8 175.8 -68.4 161.6 32.9 1.5 38.2 78 81 A Y E -EF 91 120A 0 42,-2.1 42,-2.3 13,-0.3 2,-0.4 -0.983 27.1-133.3-161.2 168.2 35.8 2.7 36.1 79 82 A Y E -EF 90 119A 12 11,-2.4 11,-2.7 -2,-0.3 2,-0.4 -0.996 21.5-172.6-128.3 128.6 38.4 5.5 35.7 80 83 A L E +EF 89 118A 0 38,-2.3 38,-3.0 -2,-0.4 2,-0.4 -0.989 4.4 179.6-125.9 133.7 39.1 7.0 32.3 81 84 A S E +EF 88 117A 9 7,-2.5 7,-2.5 -2,-0.4 2,-0.4 -0.994 9.2 178.0-138.4 131.2 41.9 9.5 31.5 82 85 A V E +EF 87 116A 2 34,-2.5 34,-0.8 -2,-0.4 2,-0.3 -0.999 22.0 137.8-128.6 127.1 43.0 11.2 28.3 83 86 A N - 0 0 35 3,-1.4 3,-0.1 -2,-0.4 -2,-0.0 -0.933 66.9 -83.3-150.4 175.6 45.8 13.7 28.2 84 87 A E S S+ 0 0 102 -2,-0.3 -67,-0.1 1,-0.2 3,-0.1 0.852 125.0 39.0 -45.7 -41.7 48.8 14.6 26.0 85 88 A K S S+ 0 0 144 1,-0.2 -32,-0.8 -33,-0.1 2,-0.3 0.827 120.3 0.1 -83.4 -38.2 51.0 11.9 27.7 86 89 A E E -d 53 0A 24 -34,-0.1 -3,-1.4 -3,-0.1 2,-0.4 -0.981 47.8-134.2-158.0 150.3 48.7 8.8 28.3 87 90 A I E -dE 54 82A 0 -34,-2.5 -32,-3.0 -2,-0.3 2,-0.5 -0.986 23.2-166.1-115.4 129.3 45.3 7.1 28.0 88 91 A V E +dE 55 81A 2 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.4 -0.966 14.6 173.1-120.9 129.2 43.9 5.2 31.0 89 92 A L E +dE 56 80A 0 -34,-2.8 -32,-1.8 -2,-0.5 2,-0.6 -0.828 19.8 164.8-134.9 84.4 41.0 2.8 30.8 90 93 A A E -dE 57 79A 0 -11,-2.7 -11,-2.4 -2,-0.4 -32,-0.2 -0.912 18.3-162.0-122.7 114.1 40.7 1.1 34.2 91 94 A G E -dE 58 78A 0 -34,-2.4 -32,-1.9 -2,-0.6 -13,-0.3 -0.565 25.3-139.4 -89.4 151.7 37.7 -0.8 35.5 92 95 A N S S- 0 0 32 -15,-2.5 2,-0.3 -34,-0.2 -14,-0.1 0.707 97.1 -7.1 -68.9 -24.6 36.9 -1.7 39.1 93 96 A D S > S- 0 0 48 -16,-0.6 4,-1.5 -36,-0.1 -1,-0.1 -0.868 96.8 -76.2-159.5-178.2 35.9 -5.1 37.6 94 97 A E H > S+ 0 0 104 -2,-0.3 4,-1.5 1,-0.2 -63,-0.1 0.861 128.2 48.5 -66.0 -38.1 35.6 -6.5 34.1 95 98 A R H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 106.2 59.1 -67.4 -38.9 32.3 -4.9 33.3 96 99 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.880 104.8 50.1 -55.2 -39.3 33.7 -1.5 34.5 97 100 A T H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.886 109.4 50.4 -69.4 -39.2 36.5 -1.8 31.9 98 101 A Y H X S+ 0 0 8 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.930 111.5 49.3 -61.0 -44.3 33.9 -2.5 29.1 99 102 A Y H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.881 103.9 58.7 -63.6 -39.3 32.0 0.6 30.3 100 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.938 108.7 46.9 -52.2 -47.5 35.2 2.7 30.3 101 104 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.802 106.0 57.3 -67.5 -30.4 35.4 1.8 26.6 102 105 A Q H X S+ 0 0 7 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.856 112.9 41.3 -69.8 -32.9 31.7 2.6 26.0 103 106 A T H >X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 3,-0.5 0.911 113.3 55.4 -73.0 -43.1 32.4 6.1 27.3 104 107 A F H >X S+ 0 0 1 -4,-2.9 4,-1.6 -5,-0.3 3,-1.3 0.936 102.3 54.9 -53.4 -52.7 35.6 6.1 25.4 105 108 A A H 3< S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 107.6 52.0 -48.8 -36.9 33.9 5.3 22.0 106 109 A Q H << S+ 0 0 43 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.695 105.8 53.1 -75.9 -24.5 31.6 8.3 22.5 107 110 A L H << S+ 0 0 19 -3,-1.3 2,-0.9 -4,-1.0 -2,-0.2 0.839 86.9 90.0 -77.3 -37.2 34.5 10.8 23.2 108 111 A L < + 0 0 28 -4,-1.6 2,-0.5 5,-0.1 5,-0.2 -0.501 55.5 170.6 -69.7 98.0 36.4 9.9 20.0 109 112 A K B > -G 112 0A 139 3,-2.2 3,-1.4 -2,-0.9 -3,-0.0 -0.953 67.1 -13.6-117.0 123.6 35.1 12.3 17.3 110 113 A D T 3 S- 0 0 165 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.842 128.6 -54.9 58.2 35.5 36.8 12.6 13.8 111 114 A G T 3 S+ 0 0 38 1,-0.2 -93,-2.1 -3,-0.1 2,-0.3 0.640 118.5 104.6 72.2 15.0 39.8 10.7 15.1 112 115 A K E < -AG 17 109A 97 -3,-1.4 -3,-2.2 -95,-0.2 -1,-0.2 -0.918 53.2-151.0-127.6 158.2 40.4 13.1 18.0 113 116 A L E -A 16 0A 2 -97,-2.9 -97,-2.6 -2,-0.3 -5,-0.1 -0.933 16.6-124.7-123.8 144.8 39.8 13.0 21.8 114 117 A P E -A 15 0A 30 0, 0.0 2,-0.7 0, 0.0 -99,-0.3 -0.475 36.4-107.2 -75.7 161.2 39.1 15.7 24.4 115 118 A E E +A 12 0A 28 -101,-2.2 -103,-3.1 -103,-0.8 2,-0.3 -0.852 61.8 156.1 -88.7 116.7 41.5 15.9 27.4 116 119 A V E -AF 11 82A 6 -34,-0.8 -34,-2.5 -2,-0.7 2,-0.4 -0.944 42.7-151.3-144.0 156.8 39.3 14.5 30.2 117 120 A E E -AF 10 81A 56 -107,-1.8 -107,-2.1 -2,-0.3 2,-0.4 -0.989 24.9-175.6-131.2 123.8 39.3 12.8 33.5 118 121 A I E -AF 9 80A 0 -38,-3.0 -38,-2.3 -2,-0.4 2,-0.4 -0.983 17.1-176.7-126.6 131.2 36.2 10.6 34.3 119 122 A K E +AF 8 79A 51 -111,-1.8 -111,-1.6 -2,-0.4 2,-0.3 -0.990 29.4 166.6-124.9 119.4 35.3 8.7 37.5 120 123 A D E + F 0 78A 0 -42,-2.3 -42,-2.1 -2,-0.4 -46,-0.1 -0.894 18.5 145.6-143.0 156.7 32.1 6.7 36.9 121 124 A Y - 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0 0 30 -3,-1.5 2,-0.5 -4,-0.2 -37,-0.1 -0.401 27.7-175.2 -67.5 119.2 18.8 12.8 34.2 395 398 A D > - 0 0 87 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.946 11.3-158.0-117.1 103.2 17.5 15.3 31.6 396 399 A T H > S+ 0 0 35 -2,-0.5 4,-1.7 1,-0.2 -44,-0.4 0.873 85.3 34.9 -42.9 -62.4 14.2 14.2 29.9 397 400 A W H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 116.3 50.7 -75.6 -42.7 14.3 16.1 26.6 398 401 A Q H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.856 111.6 49.5 -62.7 -38.1 18.0 16.1 25.9 399 402 A T H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.894 110.5 51.1 -67.7 -40.9 18.2 12.3 26.4 400 403 A W H X S+ 0 0 2 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.917 113.1 44.7 -58.2 -48.2 15.1 11.8 24.1 401 404 A K H X S+ 0 0 78 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.896 113.2 51.3 -65.3 -37.0 16.8 13.9 21.4 402 405 A D H X S+ 0 0 22 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.906 109.6 50.9 -64.0 -43.7 20.1 12.1 22.0 403 406 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 3,-0.4 0.933 111.3 47.0 -57.0 -50.4 18.3 8.8 21.6 404 407 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.893 112.3 48.9 -61.4 -42.5 16.7 9.8 18.3 405 408 A R H < S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.713 113.4 48.0 -74.3 -20.0 19.9 11.1 16.9 406 409 A T H < S+ 0 0 76 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.856 115.6 44.0 -84.7 -38.8 21.7 7.9 17.9 407 410 A I H < S+ 0 0 17 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.869 135.2 11.1 -72.4 -41.7 19.0 5.7 16.4 408 411 A L >< + 0 0 0 -4,-2.8 3,-1.8 -5,-0.2 7,-0.2 -0.431 63.1 164.0-142.0 65.5 18.5 7.6 13.1 409 412 A P G > S+ 0 0 53 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.852 78.5 60.2 -49.6 -39.2 21.3 10.2 12.6 410 413 A S G 3 S+ 0 0 69 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.627 125.2 14.4 -63.6 -22.3 20.3 10.5 8.8 411 414 A A G <> S+ 0 0 1 -3,-1.8 4,-2.4 -7,-0.2 -1,-0.3 -0.096 80.4 138.1-148.5 44.2 16.7 11.6 9.6 412 415 A A H <> S+ 0 0 3 -3,-0.9 4,-2.5 1,-0.2 5,-0.1 0.891 74.8 49.1 -67.7 -40.5 16.8 12.6 13.3 413 416 A E H > S+ 0 0 122 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 111.4 51.4 -67.5 -35.0 14.7 15.8 12.9 414 417 A E H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.929 110.3 48.2 -64.5 -44.0 12.1 13.8 10.9 415 418 A L H X S+ 0 0 4 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.886 109.6 53.0 -65.8 -39.9 11.9 11.1 13.6 416 419 A E H X S+ 0 0 42 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.919 108.1 51.0 -58.7 -46.9 11.6 13.8 16.3 417 420 A C H X S+ 0 0 18 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.949 115.0 42.6 -53.5 -51.9 8.6 15.3 14.4 418 421 A F H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.928 116.3 46.5 -63.2 -49.7 7.0 11.9 14.2 419 422 A A H >< S+ 0 0 0 -4,-3.3 3,-1.9 1,-0.2 -70,-0.3 0.871 103.6 64.4 -60.2 -39.1 7.7 10.9 17.8 420 423 A M H 3< S+ 0 0 36 -4,-2.9 17,-2.0 1,-0.3 3,-0.2 0.836 111.2 36.3 -56.0 -34.4 6.6 14.3 19.2 421 424 A H T << S+ 0 0 5 -4,-1.1 133,-1.1 -3,-0.5 -1,-0.3 0.198 110.2 64.2-108.8 18.6 3.0 13.6 18.0 422 425 A N S < S+ 0 0 3 -3,-1.9 -73,-2.9 131,-0.2 -72,-0.2 -0.449 75.1 97.2-133.1 60.3 3.1 9.9 18.8 423 426 A S + 0 0 5 -75,-0.3 -73,-0.2 -3,-0.2 2,-0.2 0.651 57.3 80.1-122.4 -37.1 3.4 10.0 22.6 424 427 A D - 0 0 1 1,-0.1 131,-0.2 9,-0.1 -77,-0.1 -0.531 60.9-145.2 -94.5 157.0 0.1 9.7 24.2 425 428 A L - 0 0 1 1,-0.2 -80,-0.1 -2,-0.2 -1,-0.1 0.630 35.3-137.8 -92.1 -17.3 -1.8 6.5 24.9 426 429 A G - 0 0 4 8,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.153 56.1 -26.7 71.6 178.2 -5.3 7.8 24.4 427 430 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 6,-0.0 -0.383 79.5 164.9 -56.2 136.6 -8.1 6.8 26.8 428 431 A N > - 0 0 33 -2,-0.0 3,-1.9 -85,-0.0 -85,-0.1 -0.982 52.0-101.0-154.4 159.4 -7.4 3.3 28.3 429 432 A G T 3 S+ 0 0 85 -2,-0.3 -1,-0.0 -87,-0.3 0, 0.0 0.674 119.3 51.6 -56.9 -21.2 -8.4 0.9 31.1 430 433 A H T 3 S- 0 0 49 2,-0.1 -1,-0.3 -88,-0.1 -118,-0.2 0.430 100.6-132.4 -94.2 -3.9 -5.3 1.9 33.2 431 434 A G < + 0 0 53 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.683 54.4 146.4 57.7 23.6 -5.8 5.6 33.0 432 435 A Y + 0 0 19 -6,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.799 20.3 173.1 -97.9 129.3 -2.2 6.3 32.1 433 436 A R - 0 0 98 -2,-0.5 2,-0.3 -9,-0.1 -9,-0.1 -0.856 17.9-156.7-131.7 156.7 -1.4 9.2 29.8 434 437 A R - 0 0 18 -2,-0.3 -8,-0.2 -8,-0.0 -11,-0.1 -0.961 33.0 -97.6-129.0 156.1 1.6 11.0 28.4 435 438 A E - 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0 0 112 -2,-0.3 2,-0.3 -12,-0.1 -85,-0.1 -0.401 41.8-177.3 -74.2 158.9 -14.6 14.1 112.1 1021 439 B E + 0 0 4 -13,-0.1 -15,-0.2 -2,-0.1 -16,-0.1 -0.970 56.0 1.2-157.6 140.7 -14.5 14.6 108.3 1022 440 B S >> + 0 0 1 -17,-1.9 3,-0.7 -2,-0.3 4,-0.6 0.771 68.6 156.2 55.5 38.5 -14.0 17.5 105.9 1023 441 B M G >4 + 0 0 81 1,-0.2 3,-0.8 -18,-0.2 -1,-0.1 0.859 61.4 67.1 -70.1 -35.0 -13.5 20.0 108.7 1024 442 B D G 34 S+ 0 0 98 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.864 114.5 27.3 -41.1 -48.8 -11.5 22.4 106.5 1025 443 B I G <> S+ 0 0 6 -3,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.381 93.9 99.5-104.4 -0.1 -14.5 23.2 104.3 1026 444 B Q H S+ 0 0 54 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.954 114.1 47.1 -59.7 -53.3 -17.8 26.3 107.8 1028 446 B A H > S+ 0 0 8 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.885 112.9 50.7 -49.0 -48.3 -18.0 27.3 104.1 1029 447 B A H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.931 113.6 43.8 -55.8 -49.8 -20.4 24.4 103.5 1030 448 B E H X S+ 0 0 113 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.858 113.6 49.3 -70.3 -40.2 -22.6 25.5 106.4 1031 449 B R H X S+ 0 0 114 -4,-2.8 4,-2.3 2,-0.2 3,-0.3 0.962 112.0 48.7 -60.4 -54.2 -22.6 29.2 105.6 1032 450 B F H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.826 112.2 50.1 -53.2 -38.9 -23.5 28.6 101.9 1033 451 B L H >< S+ 0 0 37 -4,-1.6 3,-0.7 -5,-0.2 -1,-0.2 0.811 110.5 45.2 -78.7 -35.9 -26.3 26.2 102.9 1034 452 B K H 3< S+ 0 0 138 -4,-1.8 5,-0.3 -3,-0.3 -2,-0.2 0.935 105.0 63.4 -70.7 -46.0 -28.1 28.4 105.4 1035 453 B A T 3< 0 0 15 -4,-2.3 5,-0.5 -5,-0.2 -1,-0.2 0.390 360.0 360.0 -56.8 2.3 -27.8 31.4 103.1 1036 454 B F < 0 0 40 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.679 360.0 360.0-116.5 360.0 -30.0 29.3 100.7 1037 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1038 457 B G 0 0 77 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 19.1 -32.9 32.9 100.3 1039 458 B K - 0 0 141 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.092 360.0 -99.0 -88.4 22.0 -30.5 35.4 101.7 1040 459 B N - 0 0 144 -5,-0.5 2,-0.2 -4,-0.1 -1,-0.2 0.489 36.9-113.8 69.3 141.2 -27.6 35.5 99.1 1041 460 B Y - 0 0 76 -3,-0.1 2,-0.4 -7,-0.0 -9,-0.1 -0.631 23.1-104.4-105.7 163.1 -24.3 33.5 99.4 1042 461 B D > - 0 0 88 -2,-0.2 4,-1.8 -14,-0.1 3,-0.2 -0.728 19.0-143.9 -85.2 133.4 -20.6 34.6 99.8 1043 462 B K H > S+ 0 0 146 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.741 99.3 62.6 -72.7 -22.4 -18.5 34.2 96.7 1044 463 B A H > S+ 0 0 45 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.931 106.6 45.2 -60.6 -48.5 -15.5 33.2 98.7 1045 464 B D H >> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 3,-1.3 0.918 106.4 58.8 -61.2 -48.5 -17.4 30.1 99.9 1046 465 B F H 3X S+ 0 0 10 -4,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.851 110.0 43.1 -51.7 -43.5 -18.7 29.3 96.4 1047 466 B E H 3X S+ 0 0 87 -4,-1.5 4,-1.2 2,-0.2 -1,-0.3 0.493 108.2 58.5 -87.4 -5.8 -15.2 28.9 95.0 1048 467 B T H < S+ 0 0 0 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.936 104.0 58.4 -58.2 -48.0 -4.6 7.9 92.6 1064 483 B L H 3< S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.805 112.8 39.7 -48.9 -35.8 -6.3 5.5 90.2 1065 484 B M T 3< S+ 0 0 142 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.3 0.285 85.1 122.6-102.4 4.4 -3.2 5.4 87.9 1066 485 B N < - 0 0 19 -3,-1.8 7,-0.1 -4,-0.3 -3,-0.0 -0.544 34.4-178.7 -74.8 132.2 -0.6 5.4 90.7 1067 486 B T > + 0 0 100 -2,-0.3 3,-0.6 1,-0.1 -1,-0.1 0.361 62.4 86.9-113.4 2.7 1.7 2.4 90.5 1068 487 B E T 3 S+ 0 0 93 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.800 109.1 17.6 -78.4 -31.2 3.9 3.0 93.5 1069 488 B N T 3> S+ 0 0 21 1,-0.1 4,-2.0 -76,-0.1 -1,-0.3 -0.674 74.6 167.9-133.8 83.3 1.5 1.2 95.8 1070 489 B K H <> S+ 0 0 127 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.917 75.4 55.3 -62.1 -45.6 -0.7 -0.9 93.5 1071 490 B P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.926 107.8 49.3 -60.3 -39.0 -2.3 -3.0 96.2 1072 491 B L H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.923 110.4 51.2 -57.4 -45.3 -3.4 0.1 98.1 1073 492 B I H X S+ 0 0 9 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.918 107.7 53.3 -60.4 -40.7 -4.9 1.5 94.8 1074 493 B V H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 108.2 49.8 -59.8 -38.6 -6.8 -1.8 94.3 1075 494 B E H < S+ 0 0 34 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.912 118.7 36.9 -66.7 -42.7 -8.4 -1.6 97.8 1076 495 B I H >X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 3,-0.6 0.617 85.5 102.1 -91.5 -10.7 -9.6 1.9 97.4 1077 496 B T H 3X S+ 0 0 34 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.777 80.1 50.1 -42.9 -52.2 -10.7 2.0 93.7 1078 497 B P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.895 116.0 43.3 -59.3 -46.0 -14.5 1.7 94.1 1079 498 B W H <> S+ 0 0 5 -3,-0.6 4,-2.3 -4,-0.2 -2,-0.2 0.831 110.8 57.0 -64.1 -36.3 -14.5 4.5 96.7 1080 499 B V H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.923 109.2 45.0 -61.1 -42.7 -12.1 6.4 94.4 1081 500 B H H X S+ 0 0 81 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.911 114.2 48.6 -61.3 -47.2 -14.6 6.2 91.5 1082 501 B Q H X S+ 0 0 6 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.845 109.9 53.7 -61.8 -37.7 -17.5 7.1 93.9 1083 502 B F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.838 108.7 47.5 -64.6 -42.7 -15.3 10.1 95.1 1084 503 B K H X S+ 0 0 56 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 111.2 51.7 -65.7 -43.0 -14.8 11.4 91.6 1085 504 B L H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.845 109.3 50.2 -61.6 -35.0 -18.5 11.0 90.9 1086 505 B T H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.948 110.6 49.8 -67.9 -45.4 -19.3 13.0 94.1 1087 506 B A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.883 112.9 46.9 -58.1 -40.7 -16.8 15.7 93.0 1088 507 B E H X S+ 0 0 55 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.923 110.6 50.5 -69.6 -46.6 -18.5 15.9 89.5 1089 508 B M H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 108.5 55.4 -53.5 -42.6 -22.0 16.0 90.9 1090 509 B G H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.907 107.3 48.8 -55.4 -47.2 -20.7 18.8 93.1 1091 510 B E H X S+ 0 0 37 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.829 112.7 46.3 -63.0 -39.6 -19.5 20.8 90.1 1092 511 B E H X S+ 0 0 10 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.866 109.5 54.1 -73.2 -41.5 -22.8 20.4 88.2 1093 512 B V H X S+ 0 0 3 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.919 109.3 49.5 -58.6 -42.7 -24.9 21.3 91.2 1094 513 B L H X S+ 0 0 9 -4,-2.0 4,-1.4 1,-0.2 3,-0.3 0.845 107.2 53.3 -65.2 -34.9 -22.8 24.6 91.5 1095 514 B K H < S+ 0 0 69 -4,-1.3 5,-0.3 1,-0.2 -1,-0.2 0.756 106.5 54.3 -70.2 -23.8 -23.4 25.4 87.8 1096 515 B M H >< S+ 0 0 3 -4,-1.3 3,-0.9 -3,-0.4 -1,-0.2 0.682 101.5 59.8 -76.3 -24.6 -27.1 25.0 88.5 1097 516 B V H 3< S+ 0 0 26 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.890 109.0 40.8 -72.2 -44.1 -26.7 27.5 91.3 1098 517 B E T 3< S+ 0 0 81 -4,-1.4 -1,-0.3 7,-0.0 -2,-0.1 -0.041 89.9 178.3 -88.0 31.6 -25.5 30.2 88.8 1099 518 B G < - 0 0 33 -3,-0.9 -3,-0.1 1,-0.2 3,-0.1 -0.082 7.6-171.9 -40.1 98.6 -28.2 28.8 86.5 1100 519 B R + 0 0 150 -5,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.927 59.7 0.2 -73.3 -46.2 -27.7 31.2 83.6 1101 520 B N S >> S- 0 0 82 1,-0.1 4,-1.7 0, 0.0 3,-0.6 -0.890 77.8-100.6-137.9 168.2 -30.7 30.3 81.3 1102 521 B E H 3> S+ 0 0 98 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.866 119.2 43.1 -58.7 -37.8 -33.6 27.9 81.5 1103 522 B S H 3> S+ 0 0 80 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.619 109.8 53.4 -90.5 -15.4 -32.0 25.3 79.1 1104 523 B Y H <> S+ 0 0 22 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.804 107.6 54.9 -79.1 -35.2 -28.5 25.3 80.6 1105 524 B F H X S+ 0 0 10 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.887 107.9 47.9 -60.6 -41.5 -30.1 24.7 83.9 1106 525 B L H X S+ 0 0 54 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.798 106.8 55.3 -75.7 -30.5 -31.8 21.6 82.4 1107 526 B R H X S+ 0 0 155 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.936 113.5 43.8 -60.5 -47.2 -28.6 20.3 80.9 1108 527 B K H X S+ 0 0 16 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.937 111.6 52.5 -61.0 -52.9 -27.0 20.5 84.4 1109 528 B Y H X S+ 0 0 18 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.919 112.2 45.6 -49.7 -51.1 -30.1 19.0 86.1 1110 529 B N H X S+ 0 0 99 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.801 110.5 53.6 -67.4 -30.9 -30.0 16.0 83.7 1111 530 B H H X S+ 0 0 75 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.904 108.8 50.1 -69.1 -41.2 -26.3 15.6 84.1 1112 531 B V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.943 108.3 50.9 -61.5 -51.6 -26.7 15.4 87.9 1113 532 B K H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.872 111.1 50.7 -51.4 -40.6 -29.5 12.8 87.6 1114 533 B A H X S+ 0 0 34 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.888 110.8 47.3 -67.0 -41.0 -27.1 10.7 85.4 1115 534 B L H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.869 109.8 53.5 -67.7 -37.5 -24.2 11.0 87.9 1116 535 B Q H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.923 107.8 51.3 -57.2 -47.9 -26.6 10.1 90.7 1117 536 B Q H X S+ 0 0 138 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.838 107.8 52.9 -59.8 -36.0 -27.5 6.9 88.8 1118 537 B Q H X S+ 0 0 99 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.871 109.1 48.0 -65.8 -39.4 -23.8 6.1 88.3 1119 538 B M H X S+ 0 0 18 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.883 110.3 52.2 -66.6 -42.3 -23.2 6.3 92.0 1120 539 B F H X S+ 0 0 124 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.924 108.0 52.8 -57.8 -44.9 -26.3 4.1 92.7 1121 540 B Y H X S+ 0 0 152 -4,-2.2 4,-1.3 2,-0.2 3,-0.4 0.931 110.9 45.1 -59.8 -47.8 -24.8 1.6 90.2 1122 541 B I H >X S+ 0 0 20 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.927 111.9 52.5 -59.9 -45.7 -21.5 1.5 92.0 1123 542 B D H 3< S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.740 113.9 45.6 -60.0 -24.0 -23.3 1.2 95.4 1124 543 B Q H 3< S+ 0 0 86 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.662 124.3 27.9 -93.2 -22.0 -25.3 -1.7 94.0 1125 544 B T H << S+ 0 0 72 -4,-1.3 3,-0.4 -3,-0.5 2,-0.3 0.691 104.2 74.2-118.3 -28.3 -22.4 -3.7 92.4 1126 545 B S S < S+ 0 0 34 -4,-2.7 8,-0.4 -5,-0.3 3,-0.1 -0.688 106.2 1.0 -90.4 147.4 -19.2 -2.9 94.3 1127 546 B N S S+ 0 0 44 -2,-0.3 2,-2.3 1,-0.2 7,-2.3 0.863 72.4 180.0 49.7 50.9 -18.5 -4.4 97.7 1128 547 B Q + 0 0 97 -3,-0.4 -1,-0.2 5,-0.3 -4,-0.0 -0.446 14.6 162.0 -85.0 75.6 -21.7 -6.4 98.0 1129 548 B N - 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