==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-FEB-07 2JIE . COMPND 2 MOLECULE: BETA-GLUCOSIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR P.ISORNA,J.POLAINA,J.SANZ-APARICIO . 445 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 2 3 0 1 0 2 0 0 1 1 1 1 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 4 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 1 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 N 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.5 78.2 37.5 10.6 2 5 A T - 0 0 89 2,-0.0 2,-0.5 443,-0.0 443,-0.0 -0.886 360.0-143.7-128.6 158.3 79.4 39.1 13.8 3 6 A F + 0 0 32 -2,-0.3 443,-1.1 2,-0.0 2,-0.6 -0.807 17.8 179.8-128.3 93.3 77.7 40.4 17.0 4 7 A I B -A 445 0A 98 -2,-0.5 441,-0.2 441,-0.3 440,-0.1 -0.825 18.7-146.6 -95.2 118.9 79.2 43.5 18.6 5 8 A F - 0 0 4 439,-2.1 380,-0.0 -2,-0.6 4,-0.0 -0.336 34.6 -69.1 -80.6 163.6 77.4 44.7 21.7 6 9 A P > - 0 0 43 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.138 41.5-114.3 -45.0 163.9 77.0 48.3 22.8 7 10 A A T 3 S+ 0 0 103 1,-0.2 -2,-0.1 -3,-0.1 437,-0.0 0.822 117.2 37.4 -72.5 -31.1 79.9 50.3 24.1 8 11 A T T 3 S+ 0 0 117 2,-0.1 2,-0.3 388,-0.0 -1,-0.2 0.180 78.7 141.2-108.3 18.6 78.4 50.4 27.6 9 12 A F < - 0 0 11 -3,-0.6 2,-0.6 1,-0.1 387,-0.2 -0.445 51.7-130.5 -63.4 122.0 76.8 47.0 27.7 10 13 A M E -b 396 0B 19 385,-2.9 387,-2.9 -2,-0.3 2,-0.5 -0.673 24.1-167.2 -80.9 119.1 77.3 45.8 31.3 11 14 A W E +b 397 0B 13 -2,-0.6 63,-1.1 385,-0.2 62,-1.0 -0.906 23.9 136.5-106.5 132.1 78.8 42.3 31.4 12 15 A G E -bc 398 74B 0 385,-2.2 387,-1.9 -2,-0.5 2,-0.3 -0.909 43.5-116.4-157.5-175.3 78.8 40.4 34.7 13 16 A T E -bc 399 75B 0 61,-1.3 63,-2.4 385,-0.3 2,-0.3 -0.939 24.9-148.8-132.8 152.6 78.3 37.1 36.6 14 17 A S E +bc 400 76B 0 385,-1.8 387,-1.6 -2,-0.3 388,-0.6 -0.906 18.6 163.4-126.3 153.8 75.7 36.3 39.3 15 18 A T - 0 0 1 61,-1.7 2,-0.3 -2,-0.3 390,-0.0 -0.871 27.5-123.2-151.3-177.7 75.5 34.1 42.4 16 19 A S > - 0 0 0 -2,-0.3 4,-1.1 61,-0.1 5,-0.4 -0.981 18.3-124.2-140.6 143.7 73.3 33.8 45.5 17 20 A S H >> S+ 0 0 3 -2,-0.3 4,-1.9 1,-0.2 3,-0.7 0.935 109.8 38.4 -54.9 -56.1 74.3 33.8 49.2 18 21 A Y H 34 S+ 0 0 8 101,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.882 112.7 60.3 -66.2 -34.7 72.8 30.4 50.3 19 22 A Q H 34 S+ 0 0 1 1,-0.1 387,-2.0 2,-0.1 -1,-0.2 0.711 125.8 7.8 -67.3 -19.1 73.8 28.8 47.0 20 23 A I H << S+ 0 0 3 -4,-1.1 36,-2.0 -3,-0.7 34,-0.9 0.720 106.7 78.3-129.8 -36.8 77.6 29.4 47.4 21 24 A E < - 0 0 7 -4,-1.9 36,-2.5 -5,-0.4 37,-0.3 0.775 55.3-178.5 -48.2 -48.1 78.6 30.8 50.8 22 25 A G + 0 0 4 -4,-0.4 -1,-0.1 -5,-0.3 4,-0.1 -0.465 44.3 110.1 70.0-151.7 78.5 27.7 53.1 23 26 A G > + 0 0 5 1,-0.1 3,-1.7 -2,-0.1 6,-0.2 0.838 40.4 165.3 51.7 37.6 79.5 28.8 56.7 24 27 A T T 3 S+ 0 0 16 1,-0.3 -1,-0.1 26,-0.2 27,-0.1 0.762 74.2 28.3 -56.7 -32.8 75.9 28.2 57.8 25 28 A D T 3 S+ 0 0 133 6,-0.0 2,-0.3 3,-0.0 -1,-0.3 -0.063 104.9 100.1-119.1 30.3 76.5 28.2 61.5 26 29 A E S X S+ 0 0 81 -3,-1.7 3,-1.9 1,-0.2 -4,-0.0 -0.818 75.7 20.0-115.7 156.8 79.6 30.6 61.5 27 30 A G T 3 S- 0 0 17 -2,-0.3 -1,-0.2 1,-0.3 71,-0.1 0.775 131.2 -61.6 60.4 27.3 79.9 34.3 62.2 28 31 A G T 3 S+ 0 0 43 -3,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.440 89.8 155.4 80.9 -0.4 76.6 34.2 64.1 29 32 A R < - 0 0 13 -3,-1.9 -1,-0.2 -6,-0.2 54,-0.2 -0.381 26.9-156.1 -63.8 134.7 74.5 33.1 61.2 30 33 A T - 0 0 42 52,-1.4 55,-0.1 1,-0.1 -4,-0.1 -0.669 35.9 -68.0-104.9 165.3 71.3 31.3 62.2 31 34 A P - 0 0 74 0, 0.0 93,-2.5 0, 0.0 94,-0.5 -0.187 44.7-151.0 -57.2 137.9 69.3 28.8 60.1 32 35 A S B >> -J 123 0C 0 91,-0.3 3,-1.0 92,-0.1 4,-0.9 -0.527 36.0 -95.8 -98.8 172.0 67.5 30.1 57.0 33 36 A I H 3> S+ 0 0 3 89,-3.2 4,-2.8 1,-0.2 3,-0.4 0.823 123.7 57.2 -61.1 -31.5 64.3 28.5 55.7 34 37 A W H 3> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.761 98.8 59.8 -71.0 -23.4 66.2 26.4 53.2 35 38 A D H <4 S+ 0 0 23 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.794 112.7 39.0 -72.2 -29.1 68.3 24.8 56.0 36 39 A T H >< S+ 0 0 56 -4,-0.9 3,-1.4 -3,-0.4 4,-0.4 0.922 117.7 50.9 -81.1 -48.4 65.1 23.5 57.5 37 40 A F H >< S+ 0 0 2 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.837 101.4 58.5 -54.7 -45.5 63.7 22.7 54.0 38 41 A a T 3< S+ 0 0 5 -4,-2.8 -1,-0.3 1,-0.3 6,-0.2 0.654 99.9 62.9 -64.5 -13.9 66.7 20.7 52.7 39 42 A Q T < S+ 0 0 144 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.631 77.1 98.5 -87.5 -14.7 66.2 18.4 55.6 40 43 A I S X S- 0 0 73 -3,-1.7 3,-2.1 -4,-0.4 4,-0.4 -0.627 86.8-107.6 -77.3 121.0 62.7 17.2 54.7 41 44 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.184 99.9 12.3 -51.4 126.1 63.0 13.8 52.9 42 45 A G T 3 S+ 0 0 81 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.436 97.7 101.5 88.7 1.0 62.3 14.0 49.2 43 46 A K S < S+ 0 0 56 -3,-2.1 2,-0.4 1,-0.2 -5,-0.1 0.829 86.5 28.3 -85.7 -32.3 62.5 17.8 48.9 44 47 A V S > S- 0 0 5 -4,-0.4 3,-2.7 -6,-0.2 -2,-0.3 -0.996 96.4 -96.5-132.5 131.8 66.0 18.1 47.5 45 48 A I G > S+ 0 0 81 364,-3.0 3,-2.0 -2,-0.4 367,-0.3 -0.073 108.2 0.8 -48.0 134.8 67.8 15.6 45.3 46 49 A G G 3 S- 0 0 72 1,-0.3 -1,-0.3 365,-0.1 3,-0.1 0.605 117.7 -84.6 60.5 11.2 70.1 13.3 47.3 47 50 A G G < S+ 0 0 48 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.694 75.9 174.6 66.5 16.7 69.0 15.2 50.4 48 51 A D < - 0 0 49 -3,-2.0 2,-0.2 -4,-0.2 -1,-0.2 -0.189 10.7-166.3 -57.4 148.4 71.6 17.8 49.6 49 52 A a - 0 0 32 2,-0.2 4,-0.2 -3,-0.1 -14,-0.1 -0.749 36.8-104.4-129.2 174.1 71.7 20.9 51.8 50 53 A G S S+ 0 0 0 -2,-0.2 2,-0.4 -16,-0.1 -28,-0.3 0.232 72.3 136.5 -87.7 16.0 73.4 24.3 51.6 51 54 A D S S- 0 0 98 1,-0.2 2,-2.3 -28,-0.1 -2,-0.2 -0.521 86.2 -22.1 -68.1 118.9 75.9 23.1 54.1 52 55 A V S > S+ 0 0 71 -2,-0.4 3,-2.7 2,-0.1 5,-0.2 -0.353 85.6 171.4 75.5 -57.1 79.4 24.3 53.0 53 56 A A T 3 S- 0 0 3 -2,-2.3 -33,-0.2 1,-0.3 -32,-0.1 -0.329 76.0 -22.4 54.1-127.9 78.3 24.6 49.4 54 57 A C T 3 S- 0 0 0 -34,-0.9 -1,-0.3 -35,-0.2 -33,-0.2 0.485 86.0-128.8 -88.1 -5.6 81.2 26.3 47.5 55 58 A D X> + 0 0 26 -3,-2.7 3,-2.0 -35,-0.7 4,-1.9 0.858 49.8 160.3 60.1 36.1 82.4 27.7 50.8 56 59 A H H 3> + 0 0 4 -36,-2.0 4,-1.1 1,-0.3 -35,-0.2 0.745 63.7 76.0 -59.7 -21.9 82.5 31.2 49.3 57 60 A F H 34 S+ 0 0 36 -36,-2.5 -1,-0.3 -37,-0.2 -35,-0.1 0.835 111.3 24.3 -59.4 -31.6 82.4 32.4 53.0 58 61 A H H <4 S+ 0 0 94 -3,-2.0 3,-0.3 -37,-0.3 -2,-0.2 0.734 127.7 44.9-105.2 -26.5 86.1 31.3 53.2 59 62 A H H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.191 77.1 111.1-101.7 14.7 87.3 31.5 49.5 60 63 A F H X S+ 0 0 33 -4,-1.1 4,-2.7 1,-0.2 5,-0.3 0.863 71.6 56.2 -59.6 -40.0 85.7 34.8 48.6 61 64 A K H > S+ 0 0 100 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.885 113.4 42.1 -60.0 -40.1 89.0 36.8 48.2 62 65 A E H > S+ 0 0 117 -3,-0.3 4,-3.6 2,-0.2 5,-0.2 0.922 112.2 54.3 -72.8 -45.0 90.2 34.3 45.6 63 66 A D H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.907 110.3 45.3 -56.6 -46.2 86.8 34.1 43.9 64 67 A V H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.923 115.4 48.3 -64.9 -40.9 86.6 37.9 43.4 65 68 A Q H X S+ 0 0 108 -4,-1.6 4,-1.9 -5,-0.3 5,-0.2 0.924 109.0 53.5 -62.1 -43.2 90.2 37.8 42.2 66 69 A L H X S+ 0 0 27 -4,-3.6 4,-0.7 1,-0.2 -1,-0.2 0.796 105.5 55.7 -62.9 -27.2 89.4 35.0 39.9 67 70 A M H >X>S+ 0 0 0 -4,-1.4 5,-1.6 -5,-0.2 3,-0.7 0.957 104.6 51.7 -68.4 -51.3 86.6 37.1 38.5 68 71 A K H ><5S+ 0 0 115 -4,-1.9 3,-2.3 1,-0.3 -2,-0.2 0.934 110.1 47.2 -49.5 -56.4 88.9 40.0 37.6 69 72 A Q H 3<5S+ 0 0 95 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.740 105.3 62.6 -61.9 -20.1 91.3 37.8 35.7 70 73 A L H <<5S- 0 0 0 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.600 120.7-109.0 -81.7 -9.9 88.3 36.2 34.0 71 74 A G T <<5 + 0 0 33 -3,-2.3 2,-0.2 -4,-0.5 -3,-0.2 0.441 67.6 144.6 99.8 0.6 87.5 39.6 32.5 72 75 A F < + 0 0 4 -5,-1.6 -1,-0.3 1,-0.1 -60,-0.1 -0.501 26.0 177.7 -78.8 140.4 84.4 40.5 34.5 73 76 A L + 0 0 85 -62,-1.0 39,-3.7 -2,-0.2 2,-0.4 0.575 68.5 51.9-111.2 -18.3 83.6 44.1 35.5 74 77 A H E -cd 12 112B 19 -63,-1.1 -61,-1.3 37,-0.2 2,-0.4 -0.961 58.5-173.8-124.7 141.1 80.2 43.5 37.2 75 78 A Y E -cd 13 113B 2 37,-1.9 39,-2.1 -2,-0.4 2,-0.6 -0.953 7.1-161.6-139.8 117.3 79.3 41.1 40.0 76 79 A R E +cd 14 114B 0 -63,-2.4 -61,-1.7 -2,-0.4 2,-0.3 -0.862 24.1 157.6 -99.7 123.8 75.7 40.5 41.3 77 80 A F E - d 0 115B 4 37,-2.3 39,-3.2 -2,-0.6 2,-0.3 -0.793 29.9-128.2-133.1 176.9 75.5 38.8 44.7 78 81 A S E - d 0 116B 2 -2,-0.3 2,-0.4 37,-0.2 39,-0.2 -0.906 16.2-122.2-130.1 157.7 73.0 38.6 47.4 79 82 A V - 0 0 0 37,-1.8 2,-0.9 -2,-0.3 40,-0.3 -0.860 24.7-124.1-102.6 133.7 73.1 39.2 51.2 80 83 A A >> - 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.8 -0.675 15.4-159.1 -79.7 107.6 72.1 36.4 53.6 81 84 A W H >> S+ 0 0 1 -2,-0.9 4,-3.4 1,-0.3 3,-1.2 0.872 92.3 58.0 -52.5 -43.5 69.4 37.8 55.8 82 85 A P H 34 S+ 0 0 0 0, 0.0 -52,-1.4 0, 0.0 -1,-0.3 0.711 103.4 55.6 -62.6 -19.1 70.1 35.1 58.5 83 86 A R H <4 S+ 0 0 2 -3,-1.7 -2,-0.2 -54,-0.2 12,-0.2 0.683 117.5 32.6 -86.3 -19.6 73.6 36.4 58.6 84 87 A I H << S+ 0 0 0 -3,-1.2 8,-2.2 -4,-0.8 -3,-0.1 0.800 130.8 28.7-103.7 -42.4 72.5 40.0 59.3 85 88 A M < + 0 0 5 -4,-3.4 -1,-0.2 6,-0.2 -2,-0.1 -0.609 64.0 164.8-120.5 70.0 69.3 39.5 61.4 86 89 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 39,-0.1 0.657 73.4 5.8 -60.0 -14.7 69.9 36.1 63.2 87 90 A A S > S- 0 0 40 -3,-0.1 3,-0.5 -57,-0.1 4,-0.3 -0.962 107.3 -52.6-159.3 170.6 67.1 37.0 65.5 88 91 A A T 3 S- 0 0 62 -2,-0.3 52,-0.0 1,-0.2 -3,-0.0 -0.330 115.0 -21.8 -55.7 117.0 64.3 39.6 66.2 89 92 A G T 3 S+ 0 0 62 -2,-0.2 -1,-0.2 1,-0.1 -4,-0.1 0.928 98.0 116.2 43.9 80.9 66.1 42.9 66.2 90 93 A I < - 0 0 82 -3,-0.5 -5,-0.1 -6,-0.1 -2,-0.1 0.558 54.7-145.6-141.3 -29.7 69.7 42.3 67.0 91 94 A I - 0 0 86 -4,-0.3 2,-0.9 1,-0.2 -6,-0.2 0.906 13.7-134.5 53.3 103.6 72.0 43.3 64.0 92 95 A N >> - 0 0 32 -8,-2.2 4,-1.9 1,-0.2 3,-1.6 -0.766 15.7-168.1 -91.9 100.2 75.0 40.9 63.7 93 96 A E H 3> S+ 0 0 89 -2,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.847 87.0 62.0 -53.5 -39.8 78.1 43.0 63.2 94 97 A E H 3> S+ 0 0 119 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.780 108.0 44.3 -60.0 -26.6 80.1 39.9 62.3 95 98 A G H <> S+ 0 0 1 -3,-1.6 4,-1.4 2,-0.2 5,-0.2 0.889 109.4 51.1 -85.3 -44.8 77.7 39.5 59.3 96 99 A L H X S+ 0 0 5 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.841 110.4 57.3 -60.6 -26.3 77.6 43.1 58.1 97 100 A L H X S+ 0 0 50 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.897 96.7 58.1 -72.3 -39.5 81.4 42.6 58.3 98 101 A F H X S+ 0 0 15 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.916 110.3 43.4 -57.0 -43.9 81.6 39.6 56.0 99 102 A Y H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.808 110.4 57.8 -71.6 -28.7 80.0 41.6 53.1 100 103 A E H X S+ 0 0 48 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.976 108.6 43.4 -64.5 -54.7 82.1 44.6 53.9 101 104 A H H X S+ 0 0 97 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.862 112.8 55.5 -58.4 -35.0 85.4 42.7 53.5 102 105 A L H X S+ 0 0 3 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.908 107.3 48.6 -63.0 -42.3 83.7 41.2 50.4 103 106 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.822 104.9 59.3 -66.8 -32.5 83.1 44.7 49.0 104 107 A D H X S+ 0 0 65 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.931 109.0 44.0 -60.6 -45.9 86.7 45.7 49.8 105 108 A E H X S+ 0 0 27 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.896 109.7 56.1 -65.9 -42.7 87.9 42.9 47.5 106 109 A I H X>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 4,-0.6 0.945 116.5 36.3 -54.5 -52.8 85.3 43.8 44.8 107 110 A E H ><5S+ 0 0 81 -4,-2.6 3,-0.6 3,-0.2 -2,-0.2 0.888 113.0 57.8 -69.4 -40.1 86.6 47.4 44.7 108 111 A L H 3<5S+ 0 0 135 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.1 45.5 -57.5 -37.1 90.2 46.3 45.2 109 112 A A H 3<5S- 0 0 19 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.650 121.1-113.6 -80.1 -17.5 89.8 44.2 42.1 110 113 A G T <<5 + 0 0 45 -4,-0.6 2,-0.2 -3,-0.6 -3,-0.2 0.823 64.7 143.1 89.0 34.6 88.1 47.1 40.3 111 114 A L < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 -37,-0.2 -0.699 49.8-126.1-108.9 160.6 84.6 45.6 39.9 112 115 A I E -d 74 0B 44 -39,-3.7 -37,-1.9 -2,-0.2 2,-0.1 -0.918 31.6-149.4-106.5 111.5 81.1 47.1 40.0 113 116 A P E -d 75 0B 3 0, 0.0 45,-0.7 0, 0.0 44,-0.6 -0.411 14.0-160.3 -84.4 157.2 78.8 45.3 42.4 114 117 A M E -de 76 158B 1 -39,-2.1 -37,-2.3 43,-0.1 2,-0.7 -0.962 14.8-152.7-134.2 111.1 75.1 44.7 42.4 115 118 A L E -de 77 159B 1 43,-1.6 45,-2.1 -2,-0.4 2,-0.5 -0.811 2.8-156.4 -93.5 115.1 73.7 43.8 45.8 116 119 A T E -de 78 160B 0 -39,-3.2 -37,-1.8 -2,-0.7 45,-0.2 -0.802 3.1-159.4 -87.6 123.8 70.5 41.7 45.7 117 120 A L E S+ 0 0 1 43,-2.5 2,-0.6 -2,-0.5 -38,-0.2 0.963 72.8 27.4 -70.3 -56.0 68.6 42.2 49.0 118 121 A Y E + e 0 162B 1 43,-2.2 45,-2.2 42,-0.4 -1,-0.2 -0.916 53.0 160.9-119.5 117.3 66.4 39.1 49.0 119 122 A H S S- 0 0 2 -2,-0.6 -101,-0.2 -40,-0.3 -1,-0.1 -0.327 71.6 -80.9-128.7 52.5 67.2 35.8 47.3 120 123 A W S S+ 0 0 14 43,-0.1 2,-1.0 1,-0.1 -86,-0.1 0.239 95.8 115.9 75.7 -6.2 65.0 33.2 49.1 121 124 A D + 0 0 1 -42,-0.1 -40,-0.2 -88,-0.1 -1,-0.1 -0.345 42.5 174.8 -94.0 56.7 67.0 32.6 52.2 122 125 A L - 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