==== 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 HYDROLASE 12-JUN-03 1UG6 . COMPND 2 MOLECULE: BETA-GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.K.LOKANATH,I.SHIROMIZU,M.MIYANO,S.YOKOYAMA,S.KURAMITSU,N.K . 426 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 3 2 0 1 0 1 0 2 0 0 1 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 4 2 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 PARALLEL BRIDGES PER LADDER . 2 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 . 2 1 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 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.8 34.7 81.6 -4.9 2 5 A A + 0 0 93 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.180 360.0 133.0-136.7 12.4 34.4 78.0 -6.2 3 6 A E - 0 0 152 1,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.380 60.1-110.9 -66.2 145.0 34.8 76.0 -3.0 4 7 A K - 0 0 189 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.393 46.6 -83.8 -67.0 150.3 32.4 73.2 -2.4 5 8 A F - 0 0 31 1,-0.1 2,-0.6 -2,-0.1 373,-0.2 -0.337 46.0-124.2 -53.5 137.8 30.0 73.6 0.4 6 9 A L E -a 378 0A 26 371,-2.6 373,-2.2 -3,-0.1 2,-0.6 -0.798 19.0-163.5 -96.4 115.9 31.5 72.6 3.8 7 10 A W E +a 379 0A 30 -2,-0.6 62,-2.4 371,-0.2 63,-1.2 -0.891 29.7 160.0 -95.3 120.6 29.6 70.0 5.8 8 11 A G E -ab 380 70A 0 371,-3.0 373,-2.0 -2,-0.6 2,-0.3 -0.733 37.6-137.0-134.1 176.8 30.9 70.1 9.4 9 12 A V E -ab 381 71A 0 61,-1.1 63,-2.8 371,-0.3 2,-0.4 -0.938 24.5-142.3-133.1 156.9 30.4 69.3 13.1 10 13 A A E +ab 382 72A 0 371,-2.5 374,-0.9 -2,-0.3 373,-0.6 -0.939 25.0 154.0-129.1 144.6 31.1 71.6 16.0 11 14 A T - 0 0 2 61,-2.2 2,-0.3 -2,-0.4 376,-0.0 -0.790 25.9-134.3-143.6-175.7 32.5 71.2 19.6 12 15 A S > - 0 0 0 -2,-0.2 4,-1.2 61,-0.2 5,-0.3 -0.986 23.2-113.1-151.5 158.3 34.3 73.3 22.1 13 16 A A H >> S+ 0 0 1 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 0.918 110.1 41.2 -64.1 -53.8 37.2 72.8 24.4 14 17 A Y H 34 S+ 0 0 9 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.837 113.1 57.5 -64.8 -30.4 35.8 72.8 27.9 15 18 A Q H 34 S+ 0 0 0 1,-0.1 373,-2.1 372,-0.1 -1,-0.2 0.771 125.9 11.0 -72.3 -24.9 32.8 70.8 26.7 16 19 A I H << S+ 0 0 7 -4,-1.2 36,-2.4 -3,-0.7 34,-0.8 0.582 107.3 75.0-125.2 -22.1 34.7 67.8 25.4 17 20 A E < - 0 0 5 -4,-2.6 36,-1.7 -5,-0.3 37,-0.4 0.902 55.0-176.6 -76.0 -37.6 38.4 67.8 26.3 18 21 A G + 0 0 3 -5,-0.4 -1,-0.1 28,-0.3 4,-0.1 -0.483 47.3 109.5 61.6-151.0 38.7 66.8 30.0 19 22 A A > + 0 0 1 1,-0.1 3,-1.1 -2,-0.1 6,-0.2 0.900 41.4 161.5 49.4 45.7 42.4 67.0 31.1 20 23 A T T 3 S+ 0 0 11 1,-0.3 -1,-0.1 26,-0.1 27,-0.1 0.791 74.8 25.0 -68.8 -29.8 41.3 70.0 33.1 21 24 A Q T 3 S+ 0 0 178 6,-0.0 2,-0.3 3,-0.0 -1,-0.3 -0.172 106.1 101.8-127.4 34.7 44.4 69.8 35.4 22 25 A E S X S+ 0 0 74 -3,-1.1 3,-1.7 1,-0.2 -4,-0.0 -0.887 76.5 10.1-119.3 152.8 46.8 68.0 33.1 23 26 A D T 3 S- 0 0 56 -2,-0.3 -1,-0.2 1,-0.3 69,-0.2 0.835 128.4 -54.4 51.5 43.4 49.7 69.1 31.0 24 27 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.432 84.9 157.2 82.9 0.7 49.8 72.6 32.4 25 28 A R < - 0 0 20 -3,-1.7 54,-0.2 -6,-0.2 -1,-0.2 -0.373 30.0-145.4 -62.6 135.4 46.2 73.8 31.8 26 29 A G - 0 0 6 52,-2.5 2,-0.1 1,-0.1 57,-0.1 -0.537 29.9 -85.1 -90.8 166.6 45.2 76.6 34.1 27 30 A P - 0 0 68 0, 0.0 94,-2.7 0, 0.0 95,-0.5 -0.401 39.0-153.1 -73.8 147.8 41.7 77.0 35.5 28 31 A S B > -I 120 0B 0 92,-0.3 4,-1.7 93,-0.1 3,-0.5 -0.641 35.7 -98.6-105.3 171.4 38.9 78.8 33.6 29 32 A I H > S+ 0 0 5 90,-2.4 4,-2.5 1,-0.2 5,-0.1 0.796 124.6 56.6 -59.5 -30.1 35.9 80.7 34.8 30 33 A W H > S+ 0 0 2 2,-0.2 4,-2.3 89,-0.2 -1,-0.2 0.834 100.4 56.1 -72.7 -32.8 33.9 77.5 34.1 31 34 A D H 4 S+ 0 0 29 -3,-0.5 4,-0.3 2,-0.2 -2,-0.2 0.931 115.0 39.6 -61.3 -42.5 36.1 75.4 36.4 32 35 A A H >< S+ 0 0 41 -4,-1.7 3,-1.3 2,-0.2 4,-0.3 0.914 114.6 52.0 -71.4 -45.0 35.3 77.8 39.2 33 36 A F H >< S+ 0 0 9 -4,-2.5 3,-1.9 1,-0.3 6,-0.2 0.899 103.1 58.9 -60.0 -39.9 31.7 78.2 38.3 34 37 A A T 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.619 96.0 64.2 -70.1 -10.7 31.1 74.5 38.3 35 38 A Q T < S+ 0 0 146 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.583 82.2 97.3 -82.4 -9.4 32.2 74.3 41.9 36 39 A R S X S- 0 0 143 -3,-1.9 3,-2.0 -4,-0.3 4,-0.5 -0.668 84.7-114.3 -82.9 127.2 29.3 76.4 43.0 37 40 A P T 3 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.341 101.0 16.2 -56.7 136.2 26.3 74.5 44.4 38 41 A G T 3 S+ 0 0 82 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.263 95.3 103.9 85.2 -11.7 23.3 74.9 42.0 39 42 A A S < S+ 0 0 16 -3,-2.0 2,-0.4 -6,-0.2 -5,-0.1 0.881 83.2 40.4 -69.8 -38.7 25.3 76.3 39.1 40 43 A I S > S- 0 0 7 -4,-0.5 3,-2.0 -6,-0.2 -2,-0.3 -0.960 83.0-133.0-117.3 130.4 25.2 73.0 37.1 41 44 A R T 3 S+ 0 0 159 350,-2.9 351,-0.1 -2,-0.4 -1,-0.1 0.804 105.3 32.2 -53.1 -43.2 21.9 71.0 37.1 42 45 A D T 3 S- 0 0 66 349,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.237 110.8-111.6-101.4 10.8 23.5 67.6 37.8 43 46 A G S < S+ 0 0 67 -3,-2.0 -2,-0.1 1,-0.2 2,-0.1 0.738 73.8 136.5 66.7 24.4 26.4 68.8 40.0 44 47 A S - 0 0 20 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.354 37.1-159.5 -98.9 175.6 28.9 67.9 37.3 45 48 A T - 0 0 34 2,-0.3 4,-0.5 -2,-0.1 -14,-0.1 -0.835 40.0 -88.3-139.0-179.0 32.0 69.6 35.7 46 49 A G S S+ 0 0 0 -2,-0.3 -28,-0.3 2,-0.1 4,-0.1 0.341 80.7 127.2 -74.4 8.0 34.1 69.4 32.6 47 50 A E S S- 0 0 78 1,-0.3 -2,-0.3 -29,-0.1 -30,-0.0 -0.932 88.7 -6.3-116.3 121.2 36.3 66.8 34.0 48 51 A P S > S+ 0 0 60 0, 0.0 3,-2.4 0, 0.0 -1,-0.3 -0.944 85.9 162.8 -98.2 11.4 36.5 64.5 32.2 49 52 A A T 3 S- 0 0 1 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.281 83.6 -24.6 56.9-129.5 33.8 65.5 29.5 50 53 A C T 3 S- 0 0 0 -34,-0.8 -1,-0.3 -4,-0.1 -33,-0.1 0.219 81.3-121.8-101.0 10.4 34.4 63.4 26.4 51 54 A D X> + 0 0 31 -3,-2.4 4,-2.1 1,-0.1 3,-1.1 0.818 59.7 153.3 53.7 32.7 38.1 62.7 27.3 52 55 A H H 3> + 0 0 5 -36,-2.4 4,-1.3 1,-0.3 -35,-0.2 0.807 58.2 69.0 -66.7 -32.6 38.9 64.3 23.9 53 56 A Y H 34 S+ 0 0 13 -36,-1.7 -1,-0.3 -37,-0.3 -35,-0.1 0.885 117.1 25.9 -53.7 -36.1 42.3 65.5 24.9 54 57 A R H <4 S+ 0 0 123 -3,-1.1 3,-0.3 -37,-0.4 -2,-0.2 0.741 127.7 45.2 -92.1 -32.6 43.2 61.8 24.9 55 58 A R H >X S+ 0 0 89 -4,-2.1 4,-1.8 1,-0.2 3,-0.6 0.276 71.0 117.4-103.0 14.2 40.7 60.4 22.4 56 59 A Y H 3X S+ 0 0 31 -4,-1.3 4,-2.5 1,-0.3 -1,-0.2 0.797 71.9 57.5 -58.7 -33.5 41.0 62.9 19.6 57 60 A E H 3> S+ 0 0 60 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.924 107.5 47.7 -65.1 -42.5 42.2 60.4 17.0 58 61 A E H <> S+ 0 0 78 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.892 111.4 51.6 -57.9 -43.4 39.1 58.3 17.5 59 62 A D H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.895 108.3 50.4 -66.4 -38.7 36.9 61.3 17.2 60 63 A I H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.910 107.9 54.3 -63.3 -40.3 38.6 62.4 14.0 61 64 A A H X S+ 0 0 55 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.878 105.6 53.0 -62.7 -35.7 38.0 58.9 12.6 62 65 A L H X S+ 0 0 30 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.945 109.7 48.2 -62.6 -46.2 34.3 59.2 13.4 63 66 A M H >X>S+ 0 0 1 -4,-2.1 5,-2.0 1,-0.2 4,-0.7 0.932 111.1 50.0 -58.0 -45.2 34.2 62.5 11.4 64 67 A Q H ><5S+ 0 0 113 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.901 106.3 57.1 -61.5 -38.6 36.0 60.9 8.5 65 68 A S H 3<5S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.6 47.2 -65.2 -30.8 33.6 58.0 8.6 66 69 A L H <<5S- 0 0 2 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.563 115.3-113.5 -82.5 -10.0 30.6 60.3 8.1 67 70 A G T <<5 + 0 0 29 -3,-1.1 -3,-0.2 -4,-0.7 -60,-0.2 0.642 55.5 166.7 80.3 16.1 32.3 62.2 5.3 68 71 A V < - 0 0 2 -5,-2.0 -1,-0.3 -6,-0.2 -60,-0.2 -0.452 17.9-172.8 -61.6 134.1 32.5 65.4 7.4 69 72 A R + 0 0 139 -62,-2.4 40,-2.9 1,-0.2 2,-0.3 0.462 64.0 42.3-113.5 -0.6 34.8 67.8 5.7 70 73 A A E -bc 8 109A 0 -63,-1.2 -61,-1.1 38,-0.3 2,-0.5 -0.997 60.2-159.9-145.0 144.5 35.1 70.6 8.3 71 74 A Y E -bc 9 110A 2 38,-2.4 40,-2.6 -2,-0.3 2,-0.6 -0.977 6.1-158.3-128.3 115.7 35.6 70.5 12.1 72 75 A R E +bc 10 111A 0 -63,-2.8 -61,-2.2 -2,-0.5 2,-0.3 -0.858 31.0 150.0 -93.5 121.7 34.7 73.5 14.2 73 76 A F E - c 0 112A 3 38,-1.7 40,-2.8 -2,-0.6 2,-0.3 -0.916 35.9-122.1-142.4 166.0 36.5 73.4 17.5 74 77 A S E - c 0 113A 2 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.851 12.0-132.0-115.5 154.6 37.8 75.8 20.1 75 78 A V - 0 0 0 38,-2.1 2,-0.9 -2,-0.3 41,-0.4 -0.874 27.9-125.2 -93.2 132.5 41.2 76.3 21.6 76 79 A A >> - 0 0 0 -2,-0.5 3,-1.9 1,-0.2 4,-0.9 -0.706 13.8-153.9 -80.7 110.0 41.2 76.6 25.4 77 80 A W H >> S+ 0 0 0 -2,-0.9 4,-2.9 37,-0.3 3,-1.5 0.897 94.7 53.1 -48.3 -48.0 42.9 79.9 26.3 78 81 A P H 34 S+ 0 0 0 0, 0.0 -52,-2.5 0, 0.0 -1,-0.3 0.645 102.5 58.9 -73.7 -8.3 43.9 78.6 29.7 79 82 A R H <4 S+ 0 0 1 -3,-1.9 13,-0.3 -54,-0.2 14,-0.2 0.671 116.5 34.8 -80.2 -20.0 45.6 75.6 28.0 80 83 A I H << S+ 0 0 4 -3,-1.5 9,-2.8 -4,-0.9 13,-0.2 0.855 137.5 16.7 -95.3 -50.4 47.8 78.1 26.1 81 84 A L S >< S- 0 0 15 -4,-2.9 3,-2.3 7,-0.2 -1,-0.3 -0.900 71.7-166.3-125.0 93.1 48.3 80.9 28.6 82 85 A P T 3 S+ 0 0 2 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.791 91.0 38.6 -60.6 -28.7 47.4 79.4 32.0 83 86 A E T 3 S- 0 0 82 4,-0.3 2,-0.5 2,-0.3 5,-0.1 0.196 116.0-112.0-101.7 11.7 47.2 82.8 33.7 84 87 A G S < S+ 0 0 1 -3,-2.3 2,-0.3 -7,-0.2 57,-0.1 -0.071 95.7 36.6 89.3 -38.3 45.6 84.5 30.7 85 88 A R S S+ 0 0 79 -2,-0.5 2,-0.8 55,-0.0 -2,-0.3 -0.956 108.8 14.1-139.5 159.9 48.8 86.5 30.0 86 89 A G S S+ 0 0 63 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.649 94.6 72.1 85.9-111.2 52.5 86.0 30.3 87 90 A R - 0 0 126 -2,-0.8 2,-0.4 1,-0.1 -4,-0.3 -0.076 65.8-146.7 -53.7 135.0 53.5 82.3 30.7 88 91 A I - 0 0 100 -7,-0.2 -7,-0.2 -6,-0.1 -8,-0.1 -0.839 4.5-143.6-101.3 142.0 53.1 80.0 27.7 89 92 A N >> - 0 0 10 -9,-2.8 4,-1.8 -2,-0.4 3,-0.9 -0.817 11.3-167.4-105.1 95.7 52.1 76.3 28.1 90 93 A P H 3> S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.856 84.4 54.5 -56.9 -37.3 54.1 74.3 25.5 91 94 A K H 3> S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.833 107.3 52.6 -66.0 -31.5 52.1 71.0 25.9 92 95 A G H <> S+ 0 0 0 -3,-0.9 4,-1.7 -13,-0.3 5,-0.2 0.949 111.2 44.7 -66.9 -47.8 48.9 72.9 25.2 93 96 A L H X S+ 0 0 49 -4,-1.8 4,-2.4 -14,-0.2 -2,-0.2 0.902 111.7 54.7 -60.1 -40.0 50.1 74.5 22.0 94 97 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.852 103.6 55.9 -63.2 -37.4 51.5 71.1 21.0 95 98 A F H X S+ 0 0 14 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.954 111.4 41.1 -59.9 -51.7 48.1 69.4 21.5 96 99 A Y H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.873 112.3 56.6 -69.1 -33.2 46.3 71.8 19.1 97 100 A D H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.5 42.6 -58.5 -47.3 49.3 71.7 16.7 98 101 A R H X S+ 0 0 121 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.895 111.1 55.5 -67.1 -41.9 49.0 67.9 16.5 99 102 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.927 108.9 48.3 -54.7 -48.7 45.2 68.0 16.3 100 103 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.926 110.3 50.7 -60.8 -46.3 45.5 70.3 13.3 101 104 A D H X S+ 0 0 67 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.917 111.9 48.3 -55.9 -43.0 48.0 68.0 11.6 102 105 A R H X S+ 0 0 83 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.885 109.5 52.3 -70.6 -35.4 45.7 65.0 12.1 103 106 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-0.8 0.956 111.3 46.8 -60.6 -50.4 42.6 66.9 10.8 104 107 A L H ><5S+ 0 0 73 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.903 108.0 56.0 -59.5 -39.8 44.5 67.8 7.6 105 108 A A H 3<5S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.768 109.5 47.9 -64.3 -24.1 45.8 64.2 7.3 106 109 A S T <<5S- 0 0 22 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.238 120.3-107.6 -99.6 8.8 42.1 63.1 7.3 107 110 A G T < 5S+ 0 0 29 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.737 73.5 138.5 74.4 25.4 40.9 65.7 4.8 108 111 A I < - 0 0 4 -5,-2.5 -38,-0.3 -6,-0.2 -1,-0.2 -0.892 51.0-132.2-112.0 128.6 39.1 67.8 7.3 109 112 A T E -c 70 0A 39 -40,-2.9 -38,-2.4 -2,-0.5 2,-0.3 -0.648 23.4-128.1 -77.3 123.1 39.3 71.6 7.2 110 113 A P E -c 71 0A 2 0, 0.0 45,-1.0 0, 0.0 2,-0.5 -0.568 21.7-171.2 -71.8 134.1 40.0 73.1 10.7 111 114 A F E -cd 72 155A 0 -40,-2.6 -38,-1.7 -2,-0.3 2,-0.4 -0.909 18.6-158.9-127.6 92.8 37.5 75.8 11.7 112 115 A L E -cd 73 156A 0 43,-2.4 45,-3.0 -2,-0.5 2,-0.5 -0.673 17.4-163.2 -98.9 131.2 38.9 77.3 14.8 113 116 A T E -cd 74 157A 0 -40,-2.8 -38,-2.1 -2,-0.4 3,-0.2 -0.921 2.7-166.3-101.4 125.9 37.2 79.3 17.6 114 117 A L E S+ 0 0 0 43,-2.9 2,-0.6 -2,-0.5 -37,-0.3 0.917 77.6 32.2 -78.2 -44.9 39.6 81.3 19.8 115 118 A Y E + d 0 159A 3 43,-1.8 45,-2.3 42,-0.3 -1,-0.3 -0.906 55.2 160.3-122.2 105.8 37.2 82.1 22.6 116 119 A H S S- 0 0 3 -2,-0.6 -102,-0.3 -41,-0.4 -1,-0.1 -0.399 76.2 -75.8-123.3 56.0 34.4 79.7 23.6 117 120 A W S S+ 0 0 12 1,-0.1 2,-1.1 43,-0.1 -88,-0.1 0.238 97.6 117.5 92.0 -6.6 33.6 80.9 27.1 118 121 A D + 0 0 0 -89,-0.1 -1,-0.1 -90,-0.1 3,-0.1 -0.411 41.3 179.4 -94.9 59.2 36.6 79.5 29.0 119 122 A L - 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