==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-12 4BCE . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB8; . AUTHOR D.TEZE,V.TRAN,C.TELLIER,M.DION,C.LEROUX,J.RONCZA,M.CZJZEK . 1273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.1 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 . 93 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.8 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 10 7 0 1 0 3 0 4 2 0 3 3 3 1 2 3 0 0 0 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 6 9 8 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 . 6 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 3 0 0 0 0 0 3 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 6 A E 0 0 127 0, 0.0 2,-0.3 0, 0.0 631,-0.1 0.000 360.0 360.0 360.0-174.2 26.3 -1.3 21.2 2 7 A K - 0 0 134 1,-0.1 2,-0.2 630,-0.1 628,-0.0 -0.449 360.0-130.4 -83.8 123.5 25.0 -4.6 22.8 3 8 A F - 0 0 27 -2,-0.3 2,-1.3 1,-0.1 373,-0.2 -0.480 32.9-119.9 -54.1 131.3 22.2 -6.6 21.3 4 9 A L E -a 376 0A 8 371,-2.3 373,-2.8 -2,-0.2 2,-0.7 -0.701 28.3-170.9 -87.3 98.2 19.8 -7.1 24.2 5 10 A W E +a 377 0A 16 -2,-1.3 62,-2.8 371,-0.2 63,-1.1 -0.803 31.8 162.1 -79.1 115.7 19.5 -10.9 24.7 6 11 A G E -ab 378 68A 0 371,-3.2 373,-2.2 -2,-0.7 2,-0.3 -0.637 42.1-139.3-133.1 179.2 16.6 -11.0 27.2 7 12 A V E -ab 379 69A 0 61,-1.2 63,-3.3 371,-0.3 2,-0.3 -0.952 25.7-146.2-136.3 157.0 13.8 -12.9 29.0 8 13 A A E +ab 380 70A 0 371,-2.4 374,-1.2 -2,-0.3 373,-0.6 -0.941 22.4 158.2-133.1 148.4 10.4 -11.5 29.8 9 14 A T - 0 0 1 61,-2.4 2,-0.3 -2,-0.3 -2,-0.0 -0.836 26.2-131.7-144.6-179.6 7.7 -11.7 32.4 10 15 A S > - 0 0 0 -2,-0.3 4,-1.0 61,-0.2 5,-0.2 -0.966 22.8-117.0-139.0 164.2 4.7 -9.7 33.6 11 16 A A H >> S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.2 3,-0.9 0.910 109.0 43.0 -69.4 -54.7 3.7 -8.7 37.1 12 17 A Y H 34 S+ 0 0 9 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.814 114.1 55.9 -62.3 -28.0 0.3 -10.4 37.7 13 18 A Q H 34 S+ 0 0 0 1,-0.1 373,-2.2 372,-0.1 -1,-0.2 0.746 126.0 11.6 -78.1 -23.2 1.7 -13.6 36.1 14 19 A I H << S+ 0 0 5 -4,-1.0 36,-1.9 -3,-0.9 34,-1.1 0.721 108.0 72.5-123.8 -27.7 4.7 -14.0 38.4 15 20 A E < - 0 0 6 -4,-2.8 36,-2.4 -5,-0.2 37,-0.4 0.810 57.4-176.9 -73.6 -36.1 4.7 -11.8 41.5 16 21 A G + 0 0 4 28,-0.4 -1,-0.2 -5,-0.3 4,-0.1 -0.450 46.7 109.1 60.3-146.7 2.0 -13.2 43.8 17 22 A A > + 0 0 2 1,-0.1 3,-1.3 -2,-0.1 6,-0.2 0.896 42.2 165.3 44.2 49.6 1.6 -11.1 47.0 18 23 A T T 3 S+ 0 0 9 1,-0.3 -1,-0.1 26,-0.1 27,-0.1 0.737 73.7 29.0 -68.1 -21.6 -1.8 -10.1 45.5 19 24 A Q T 3 S+ 0 0 171 6,-0.0 2,-0.3 3,-0.0 -1,-0.3 -0.079 102.0 105.2-129.2 25.9 -3.0 -8.6 48.8 20 25 A E S X S+ 0 0 78 -3,-1.3 3,-1.8 1,-0.2 4,-0.0 -0.883 74.4 9.6-110.4 156.0 0.2 -7.6 50.4 21 26 A D T 3 S- 0 0 60 -2,-0.3 -1,-0.2 1,-0.3 69,-0.1 0.838 129.3 -53.1 58.9 39.6 2.0 -4.3 51.0 22 27 A G T 3 S+ 0 0 43 -3,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.490 84.6 161.7 77.2 7.5 -1.0 -2.2 50.0 23 28 A R < - 0 0 18 -3,-1.8 54,-0.3 -6,-0.2 -1,-0.2 -0.399 28.8-144.9 -60.6 127.9 -1.6 -3.7 46.5 24 29 A G - 0 0 6 52,-2.4 2,-0.1 -2,-0.1 57,-0.1 -0.473 29.4 -86.3 -86.3 162.1 -5.2 -2.9 45.3 25 30 A P - 0 0 68 0, 0.0 94,-3.2 0, 0.0 95,-0.5 -0.407 39.4-151.5 -69.1 150.3 -7.2 -5.4 43.3 26 31 A S B > -I 118 0B 0 92,-0.3 4,-1.9 93,-0.2 3,-0.3 -0.704 32.9-102.3-111.0 167.7 -6.9 -5.7 39.5 27 32 A I H > S+ 0 0 6 90,-2.3 4,-2.8 -2,-0.2 5,-0.1 0.816 124.8 55.3 -54.1 -32.2 -9.4 -6.8 36.8 28 33 A W H > S+ 0 0 2 2,-0.2 4,-3.1 89,-0.2 -1,-0.2 0.880 102.0 55.5 -75.0 -33.9 -7.6 -10.1 36.7 29 34 A D H 4 S+ 0 0 26 -3,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.942 116.1 38.3 -56.6 -48.7 -8.0 -10.5 40.5 30 35 A A H >< S+ 0 0 41 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.863 116.5 51.8 -72.6 -39.4 -11.8 -10.1 40.0 31 36 A F H >< S+ 0 0 6 -4,-2.8 3,-2.0 1,-0.2 6,-0.2 0.935 102.4 58.0 -62.5 -47.1 -11.8 -12.1 36.7 32 37 A A T 3< S+ 0 0 9 -4,-3.1 -1,-0.2 1,-0.3 6,-0.2 0.605 98.0 64.2 -59.3 -13.2 -10.0 -15.1 38.1 33 38 A Q T < S+ 0 0 139 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.652 81.5 96.6 -80.9 -17.5 -12.9 -15.4 40.7 34 39 A R S X> S- 0 0 125 -3,-2.0 3,-2.0 -4,-0.4 4,-0.5 -0.602 84.7-115.0 -75.4 125.4 -15.4 -16.1 37.9 35 40 A P T 34 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.369 100.4 14.8 -59.2 135.6 -16.1 -19.9 37.4 36 41 A G T 34 S+ 0 0 80 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.244 96.9 103.1 82.5 -11.3 -14.9 -21.0 34.0 37 42 A A T <4 S+ 0 0 19 -3,-2.0 2,-0.5 -6,-0.2 -5,-0.1 0.928 84.0 40.7 -69.9 -41.5 -12.8 -17.9 33.3 38 43 A I S >< S- 0 0 5 -4,-0.5 3,-1.7 -6,-0.2 -2,-0.3 -0.931 85.2-132.7-110.8 131.0 -9.5 -19.7 34.1 39 44 A R T 3 S+ 0 0 150 350,-3.2 351,-0.1 -2,-0.5 -1,-0.1 0.823 103.6 32.5 -54.6 -42.9 -9.1 -23.3 32.7 40 45 A D T 3 S- 0 0 67 349,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.215 110.8-110.4-103.1 16.2 -7.8 -24.9 36.0 41 46 A G S < S+ 0 0 66 -3,-1.7 -2,-0.1 1,-0.2 2,-0.1 0.716 76.0 132.4 68.9 19.9 -9.7 -22.7 38.5 42 47 A S - 0 0 20 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.285 38.7-159.0-100.0-177.7 -6.5 -21.0 39.6 43 48 A T - 0 0 35 2,-0.4 4,-0.5 -3,-0.1 -14,-0.1 -0.889 42.6 -84.5-147.0 177.9 -5.4 -17.3 40.1 44 49 A G S S+ 0 0 0 -2,-0.3 -28,-0.4 2,-0.1 4,-0.1 0.288 84.5 126.0 -74.6 14.2 -2.3 -15.2 40.3 45 50 A E S S- 0 0 79 1,-0.2 -2,-0.4 -29,-0.1 -30,-0.0 -0.977 88.5 -7.1-116.8 118.4 -1.9 -16.1 44.0 46 51 A P S > S+ 0 0 59 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 -0.972 87.0 162.0 -93.7 0.2 0.9 -17.3 44.7 47 52 A A T 3 S- 0 0 0 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.320 83.3 -31.2 53.4-127.3 2.0 -17.5 41.0 48 53 A C T 3 S- 0 0 0 -34,-1.1 -1,-0.3 -4,-0.1 -33,-0.1 0.287 78.6-122.7-103.3 7.6 5.8 -17.8 41.3 49 54 A D X> + 0 0 38 -3,-2.5 4,-2.3 1,-0.1 3,-0.7 0.804 58.9 152.3 63.1 30.5 6.1 -15.8 44.6 50 55 A H H 3> + 0 0 3 -36,-1.9 4,-1.2 1,-0.3 -35,-0.2 0.795 58.7 68.7 -71.0 -28.4 8.5 -13.4 42.8 51 56 A Y H 34 S+ 0 0 13 -36,-2.4 -1,-0.3 -37,-0.2 3,-0.1 0.932 115.7 29.1 -56.9 -35.9 7.6 -10.4 44.9 52 57 A R H <4 S+ 0 0 128 -3,-0.7 3,-0.4 -37,-0.4 -2,-0.2 0.808 128.4 42.0 -83.5 -34.8 9.4 -12.4 47.7 53 58 A R H >X S+ 0 0 82 -4,-2.3 4,-2.2 1,-0.2 3,-0.9 0.289 71.7 117.2-103.7 17.1 11.9 -14.3 45.6 54 59 A Y H 3X S+ 0 0 29 -4,-1.2 4,-2.6 1,-0.3 -1,-0.2 0.801 72.4 59.9 -65.2 -27.4 13.0 -11.7 43.1 55 60 A E H 3> S+ 0 0 83 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.926 108.2 43.2 -63.0 -42.7 16.7 -11.8 44.3 56 61 A E H <> S+ 0 0 80 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.900 113.4 54.6 -68.6 -38.6 17.0 -15.5 43.5 57 62 A D H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.907 106.2 49.8 -59.9 -40.9 15.2 -14.9 40.2 58 63 A I H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.903 107.2 54.6 -67.2 -34.8 17.6 -12.3 39.2 59 64 A A H X S+ 0 0 51 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.889 104.6 57.0 -64.4 -30.2 20.6 -14.7 40.1 60 65 A L H X S+ 0 0 28 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.919 107.8 46.3 -67.1 -38.3 18.9 -17.2 37.7 61 66 A M H >X>S+ 0 0 0 -4,-1.6 5,-1.9 1,-0.2 3,-1.0 0.920 111.2 51.4 -69.1 -43.3 19.1 -14.7 34.8 62 67 A Q H ><5S+ 0 0 110 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.869 103.3 59.4 -63.6 -34.7 22.6 -13.8 35.6 63 68 A S H 3<5S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 107.1 46.8 -68.7 -14.5 23.6 -17.5 35.5 64 69 A L H <<5S- 0 0 5 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.512 114.7-115.7 -98.2 -7.9 22.4 -17.7 31.9 65 70 A G T <<5 + 0 0 32 -3,-1.2 -3,-0.2 -4,-0.6 -60,-0.1 0.681 51.7 171.3 78.6 17.1 24.2 -14.5 30.9 66 71 A V < - 0 0 3 -5,-1.9 -1,-0.2 1,-0.1 -60,-0.2 -0.393 19.7-164.8 -62.4 139.1 20.9 -12.7 30.1 67 72 A R + 0 0 99 -62,-2.8 40,-2.8 1,-0.2 2,-0.3 0.525 66.9 31.8-107.9 -5.8 21.6 -9.0 29.4 68 73 A A E -bc 6 107A 0 -63,-1.1 -61,-1.2 38,-0.3 2,-0.5 -0.998 60.1-154.8-153.7 150.6 18.1 -7.6 29.8 69 74 A Y E -bc 7 108A 1 38,-2.5 40,-2.2 -2,-0.3 2,-0.6 -0.979 8.4-154.5-132.8 118.5 15.0 -8.3 31.7 70 75 A R E +bc 8 109A 0 -63,-3.3 -61,-2.4 -2,-0.5 2,-0.3 -0.832 30.8 152.4 -95.6 123.8 11.6 -7.4 30.5 71 76 A F E - c 0 110A 3 38,-1.9 40,-3.4 -2,-0.6 2,-0.3 -0.921 34.3-124.2-143.3 165.2 9.1 -7.0 33.2 72 77 A S E - c 0 111A 2 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.827 14.5-131.3-114.1 156.6 5.9 -5.1 34.1 73 78 A V - 0 0 1 38,-1.9 2,-1.0 -2,-0.3 41,-0.3 -0.902 26.3-126.7 -97.4 130.8 4.9 -2.7 36.9 74 79 A A >> - 0 0 1 -2,-0.5 3,-2.1 1,-0.2 4,-1.2 -0.712 15.0-154.5 -80.1 101.4 1.6 -3.6 38.5 75 80 A W H >> S+ 0 0 0 -2,-1.0 4,-3.1 37,-0.3 3,-0.8 0.873 93.2 56.3 -42.6 -48.8 -0.3 -0.4 38.4 76 81 A P H 34 S+ 0 0 0 0, 0.0 -52,-2.4 0, 0.0 -1,-0.3 0.677 100.5 57.4 -69.1 -15.6 -2.4 -1.4 41.4 77 82 A R H <4 S+ 0 0 1 -3,-2.1 13,-0.5 -54,-0.3 14,-0.3 0.778 116.5 37.1 -68.8 -28.6 0.8 -1.9 43.5 78 83 A I H << S+ 0 0 1 -4,-1.2 9,-3.0 -3,-0.8 13,-0.2 0.904 136.6 15.7 -93.8 -45.4 1.6 1.8 42.7 79 84 A L >< - 0 0 2 -4,-3.1 3,-3.2 7,-0.2 -1,-0.3 -0.846 69.2-167.0-129.2 90.9 -1.9 3.4 42.8 80 85 A P T 3 S+ 0 0 6 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.756 92.8 41.1 -55.5 -28.3 -4.2 0.9 44.5 81 86 A E T 3 S- 0 0 96 4,-0.4 2,-0.5 2,-0.2 5,-0.1 0.215 114.4-116.3 -99.1 9.6 -7.3 2.9 43.3 82 87 A G S < S+ 0 0 1 -3,-3.2 2,-0.3 -7,-0.2 57,-0.1 -0.013 92.0 45.1 85.1 -33.5 -5.8 3.5 39.9 83 88 A R S S+ 0 0 69 -2,-0.5 2,-1.0 55,-0.1 -2,-0.2 -0.959 106.0 3.2-139.1 157.9 -5.6 7.3 40.5 84 89 A G S S+ 0 0 35 -2,-0.3 -2,-0.0 51,-0.1 2,-0.0 -0.575 97.3 71.6 80.2-101.6 -4.6 9.7 43.3 85 90 A R - 0 0 77 -2,-1.0 -4,-0.4 1,-0.1 2,-0.4 -0.296 68.3-147.8 -62.4 133.3 -3.1 7.9 46.3 86 91 A I - 0 0 16 910,-2.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.794 5.7-139.9-103.9 145.0 0.3 6.5 45.8 87 92 A N >> - 0 0 8 -9,-3.0 4,-1.5 -2,-0.4 3,-1.0 -0.838 11.5-166.4-105.7 100.9 1.5 3.3 47.6 88 93 A P H 3> S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 855,-0.2 0.797 86.2 60.1 -66.3 -25.8 5.2 3.9 48.6 89 94 A K H 3> S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.846 103.7 53.0 -68.1 -30.8 5.8 0.2 49.3 90 95 A G H <> S+ 0 0 0 -3,-1.0 4,-1.8 -13,-0.5 5,-0.2 0.964 111.5 43.3 -64.4 -54.9 4.9 -0.6 45.6 91 96 A L H X S+ 0 0 9 -4,-1.5 4,-2.9 -14,-0.3 -2,-0.2 0.886 110.3 56.8 -57.4 -39.9 7.4 1.8 44.2 92 97 A A H X S+ 0 0 25 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.879 104.1 54.6 -61.3 -39.7 10.0 0.7 46.8 93 98 A F H X S+ 0 0 14 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.961 112.8 40.1 -59.3 -47.5 9.7 -2.9 45.5 94 99 A Y H X S+ 0 0 3 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.906 113.3 55.8 -72.5 -33.1 10.3 -1.9 41.8 95 100 A D H X S+ 0 0 4 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.929 112.1 42.7 -58.6 -45.6 13.1 0.5 42.9 96 101 A R H X S+ 0 0 92 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 111.9 54.1 -69.8 -42.4 14.8 -2.3 44.7 97 102 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.940 110.3 46.7 -50.4 -50.5 14.2 -4.7 41.8 98 103 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 110.0 53.1 -64.5 -44.4 15.9 -2.2 39.3 99 104 A D H X S+ 0 0 49 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.5 48.4 -58.8 -41.7 18.9 -1.6 41.7 100 105 A R H X S+ 0 0 81 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.900 110.5 50.6 -67.7 -35.5 19.4 -5.4 41.8 101 106 A L H ><>S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.2 3,-0.5 0.955 112.0 47.0 -61.9 -47.5 19.2 -5.7 38.0 102 107 A L H ><5S+ 0 0 70 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.919 108.9 53.9 -60.7 -45.6 21.8 -3.0 37.6 103 108 A A H 3<5S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 109.1 51.0 -62.9 -20.8 24.0 -4.5 40.1 104 109 A S T <<5S- 0 0 12 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.279 118.9-108.0 -94.4 6.4 23.8 -7.8 38.1 105 110 A G T < 5S+ 0 0 30 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.719 74.9 139.4 75.3 23.4 24.7 -6.2 34.8 106 111 A I < - 0 0 3 -5,-3.1 -38,-0.3 -6,-0.2 -1,-0.2 -0.884 50.9-133.5-111.0 128.9 21.0 -6.6 33.5 107 112 A T E -c 68 0A 39 -40,-2.8 -38,-2.5 -2,-0.5 2,-0.3 -0.583 22.7-130.5 -77.6 120.9 19.3 -3.8 31.5 108 113 A P E -c 69 0A 2 0, 0.0 45,-1.0 0, 0.0 2,-0.5 -0.567 21.8-172.6 -76.4 135.1 15.8 -3.1 32.8 109 114 A F E -cd 70 153A 0 -40,-2.2 -38,-1.9 -2,-0.3 2,-0.4 -0.896 17.5-160.9-131.8 97.4 13.2 -3.1 30.1 110 115 A L E -cd 71 154A 0 43,-2.6 45,-2.7 -2,-0.5 2,-0.5 -0.703 16.1-162.0-102.1 128.0 10.0 -1.9 31.8 111 116 A T E -cd 72 155A 0 -40,-3.4 -38,-1.9 -2,-0.4 3,-0.2 -0.901 4.4-162.1 -98.8 128.9 6.3 -2.4 30.6 112 117 A L E S+ 0 0 0 43,-3.0 2,-0.5 -2,-0.5 -37,-0.3 0.925 78.2 30.7 -80.8 -43.0 3.9 0.0 32.3 113 118 A Y E + d 0 157A 3 43,-2.0 45,-1.9 42,-0.3 -1,-0.3 -0.911 52.7 160.3-121.2 109.1 0.6 -1.8 31.5 114 119 A H S S- 0 0 3 -2,-0.5 -102,-0.3 -41,-0.3 -1,-0.1 -0.419 76.9 -75.4-119.6 51.2 0.5 -5.6 31.1 115 120 A W S S+ 0 0 12 1,-0.1 2,-1.3 43,-0.1 -88,-0.1 0.168 96.8 117.5 95.5 -11.6 -3.2 -6.0 31.6 116 121 A D - 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