==== 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 HYDROLASE 06-OCT-06 2J77 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,D.ZECHEL,G.J.DAVIES . 878 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 67 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 8 0 2 2 0 4 1 1 1 1 3 1 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 6 5 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 PARALLEL BRIDGES PER LADDER . 5 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 0 0 0 1 1 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 3 A V 0 0 151 0, 0.0 2,-0.4 0, 0.0 437,-0.2 0.000 360.0 360.0 360.0 148.0 -26.0 23.8 19.9 2 4 A K E -A 437 0A 79 435,-2.8 435,-1.9 2,-0.0 2,-0.3 -0.861 360.0-173.5-127.7 95.2 -22.2 23.6 20.8 3 5 A K E -A 436 0A 149 -2,-0.4 433,-0.2 433,-0.2 432,-0.1 -0.714 12.9-141.2 -93.6 140.6 -20.5 26.9 20.1 4 6 A F - 0 0 11 431,-2.9 3,-0.1 -2,-0.3 4,-0.0 -0.477 36.6 -77.2 -92.8 164.7 -16.7 27.3 20.4 5 7 A P > - 0 0 58 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.172 58.7 -88.0 -56.7 156.4 -14.8 30.4 21.8 6 8 A E T 3 S+ 0 0 200 1,-0.2 3,-0.1 -3,-0.1 429,-0.0 -0.460 116.7 20.3 -63.5 136.1 -14.4 33.5 19.7 7 9 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 -2,-0.2 428,-0.0 0.404 84.1 158.8 80.3 -1.7 -11.3 33.3 17.4 8 10 A F < - 0 0 6 -3,-1.6 2,-0.8 1,-0.1 -1,-0.3 -0.262 43.4-119.8 -50.8 138.2 -11.2 29.5 17.8 9 11 A L E -b 387 0B 23 377,-2.6 379,-2.6 -3,-0.1 2,-0.6 -0.750 26.7-170.3 -99.8 108.5 -9.2 28.2 14.8 10 12 A W E +b 388 0B 0 -2,-0.8 63,-1.6 377,-0.2 62,-1.3 -0.830 24.9 160.6 -93.9 122.1 -10.8 25.8 12.4 11 13 A G E -bc 389 73B 0 377,-2.9 379,-2.1 -2,-0.6 2,-0.3 -0.761 35.9-137.1-130.8 173.6 -8.3 24.3 9.9 12 14 A V E -bc 390 74B 0 61,-1.4 63,-2.7 377,-0.3 2,-0.4 -0.935 25.9-144.3-125.8 159.3 -7.5 21.5 7.5 13 15 A A E +bc 391 75B 0 377,-2.6 380,-1.1 -2,-0.3 379,-0.6 -0.956 22.2 162.5-131.9 143.7 -4.2 19.7 7.3 14 16 A T - 0 0 1 61,-2.5 2,-0.3 -2,-0.4 382,-0.0 -0.773 24.2-135.1-136.4-179.9 -1.9 18.2 4.6 15 17 A A > - 0 0 0 -2,-0.2 4,-1.3 61,-0.2 3,-0.4 -0.977 24.0-118.2-142.4 144.5 1.8 17.1 4.3 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.2 3,-0.6 0.863 108.6 42.1 -45.2 -59.0 4.2 17.8 1.4 17 19 A Y H 34 S+ 0 0 10 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.811 111.5 57.2 -67.7 -28.9 5.0 14.3 0.2 18 20 A Q H 34 S+ 0 0 0 -3,-0.4 379,-2.2 1,-0.1 -1,-0.2 0.816 125.2 14.6 -72.6 -28.3 1.4 13.1 0.5 19 21 A I H << S+ 0 0 2 -4,-1.3 36,-2.2 -3,-0.6 34,-0.8 0.749 109.9 69.2-116.7 -31.2 -0.0 15.8 -1.8 20 22 A E < - 0 0 6 -4,-2.8 36,-2.4 -5,-0.3 37,-0.3 0.893 60.4-174.1 -68.4 -48.6 2.6 17.6 -3.9 21 23 A G + 0 0 2 -5,-0.3 30,-0.3 -4,-0.3 29,-0.2 -0.267 56.3 85.4 66.2-170.2 4.0 15.2 -6.5 22 24 A S > + 0 0 34 28,-2.7 3,-1.7 1,-0.1 28,-0.1 0.891 53.1 174.2 46.7 50.5 6.9 16.4 -8.6 23 25 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.710 76.7 38.0 -62.6 -20.1 9.4 15.3 -5.8 24 26 A L T > S+ 0 0 86 26,-0.1 3,-0.6 6,-0.1 -2,-0.1 0.234 88.4 126.0-115.3 12.3 12.4 16.2 -8.0 25 27 A A G X S+ 0 0 29 -3,-1.7 3,-1.8 1,-0.2 -4,-0.0 -0.349 71.4 8.0 -68.5 147.8 11.1 19.3 -9.8 26 28 A D G 3 S- 0 0 75 1,-0.3 -1,-0.2 -2,-0.1 68,-0.1 0.828 134.5 -47.9 54.2 45.6 13.0 22.6 -9.7 27 29 A G G < S+ 0 0 44 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.444 89.2 156.6 81.4 1.6 16.2 21.4 -8.2 28 30 A A < - 0 0 12 -3,-1.8 54,-0.2 1,-0.1 -1,-0.2 -0.285 37.2-130.3 -59.8 142.9 14.7 19.5 -5.2 29 31 A G - 0 0 14 52,-1.9 57,-0.1 1,-0.1 -4,-0.1 -0.556 33.7 -89.3 -83.3 158.5 16.9 16.7 -3.7 30 32 A M - 0 0 75 -2,-0.2 94,-2.8 55,-0.1 95,-0.5 -0.350 39.7-147.6 -59.4 145.7 15.5 13.2 -3.1 31 33 A S B > -J 123 0C 6 92,-0.3 4,-1.7 93,-0.1 3,-0.4 -0.716 29.1-105.8-106.2 164.9 13.8 12.6 0.2 32 34 A I H > S+ 0 0 4 90,-2.8 4,-2.1 -2,-0.3 5,-0.1 0.721 121.9 58.4 -61.5 -22.7 13.9 9.2 2.1 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.0 2,-0.2 16,-0.2 0.820 102.5 52.9 -79.2 -29.9 10.2 8.8 1.1 34 36 A H H > S+ 0 0 24 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.973 116.6 38.3 -57.5 -54.1 11.1 9.0 -2.6 35 37 A T H < S+ 0 0 33 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.856 116.9 51.2 -71.0 -38.2 13.7 6.3 -2.2 36 38 A F H >< S+ 0 0 11 -4,-2.1 3,-1.3 1,-0.2 6,-0.3 0.935 113.0 43.7 -62.0 -49.8 11.6 4.2 0.2 37 39 A S H 3< S+ 0 0 6 -4,-2.0 6,-0.2 1,-0.3 -2,-0.2 0.753 109.8 57.1 -73.2 -23.2 8.5 4.2 -2.1 38 40 A H T 3< S+ 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.363 88.3 93.0 -83.8 6.2 10.6 3.5 -5.2 39 41 A T S X S- 0 0 69 -3,-1.3 3,-1.4 -5,-0.1 4,-0.4 -0.895 90.0-111.8 -97.3 122.4 11.9 0.3 -3.4 40 42 A P T 3 S+ 0 0 124 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.288 95.7 20.7 -54.8 136.9 9.8 -2.7 -4.4 41 43 A G T 3 S+ 0 0 79 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.314 96.1 95.8 92.2 -8.2 7.6 -4.1 -1.6 42 44 A N S < S+ 0 0 54 -3,-1.4 2,-0.4 -6,-0.3 -5,-0.1 0.812 82.7 38.9 -88.5 -31.0 7.5 -1.1 0.7 43 45 A V S > S- 0 0 9 -4,-0.4 3,-2.1 -6,-0.2 -2,-0.3 -0.971 93.9 -95.8-127.5 135.0 4.2 0.5 -0.3 44 46 A K G > S+ 0 0 35 356,-2.7 3,-2.0 -2,-0.4 359,-0.2 -0.154 106.6 1.8 -47.7 136.0 0.9 -1.0 -1.3 45 47 A N G 3 S- 0 0 127 1,-0.3 -1,-0.3 357,-0.1 356,-0.1 0.607 120.0 -79.0 56.1 16.4 0.4 -1.5 -5.0 46 48 A G G < S+ 0 0 57 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.747 81.2 170.5 66.5 22.1 3.9 -0.0 -5.7 47 49 A D < - 0 0 34 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 -0.316 8.5-178.9 -66.5 145.1 2.4 3.5 -5.1 48 50 A T - 0 0 24 -10,-0.1 4,-0.5 -2,-0.0 3,-0.4 -0.868 40.1-111.7-133.3 175.5 4.7 6.5 -4.9 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 -16,-0.2 -15,-0.1 0.159 79.4 113.7 -92.6 20.9 4.5 10.2 -4.3 50 52 A D S S- 0 0 58 -29,-0.2 -28,-2.7 -28,-0.1 -1,-0.2 0.870 100.4 -1.0 -57.8 -39.5 5.7 11.0 -7.8 51 53 A V S > S+ 0 0 86 -3,-0.4 3,-2.8 -30,-0.3 4,-0.2 0.730 83.2 153.2-118.4 -46.8 2.3 12.5 -8.8 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.220 85.6 -21.8 48.1-126.8 0.0 12.3 -5.7 53 55 A C T 3 S- 0 0 0 -34,-0.8 -1,-0.3 -35,-0.2 -33,-0.1 0.246 84.2-124.0 -89.8 9.3 -2.6 15.1 -5.9 54 56 A D X> + 0 0 22 -3,-2.8 4,-2.0 1,-0.1 3,-1.5 0.835 58.2 154.0 45.3 39.1 -0.3 17.1 -8.2 55 57 A H H 3> + 0 0 3 -36,-2.2 4,-1.5 1,-0.3 -35,-0.2 0.806 58.9 74.9 -67.2 -23.6 -0.6 19.9 -5.6 56 58 A Y H 34 S+ 0 0 15 -36,-2.4 -1,-0.3 -37,-0.2 -35,-0.1 0.822 114.4 21.7 -56.8 -31.7 2.8 21.2 -6.8 57 59 A N H <4 S+ 0 0 110 -3,-1.5 3,-0.3 -37,-0.3 -1,-0.2 0.672 128.5 48.8-103.4 -26.0 1.0 22.5 -9.9 58 60 A R H X S+ 0 0 84 -4,-2.0 4,-2.2 -38,-0.2 3,-0.2 0.251 70.8 116.1-103.7 10.1 -2.6 22.7 -8.5 59 61 A W H X S+ 0 0 37 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.809 73.7 54.5 -50.6 -40.5 -1.8 24.6 -5.2 60 62 A K H > S+ 0 0 119 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.961 109.2 47.8 -64.2 -50.0 -3.9 27.7 -6.2 61 63 A E H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.927 111.8 50.7 -49.5 -52.9 -7.0 25.6 -6.9 62 64 A D H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.862 112.1 45.6 -58.6 -42.4 -6.6 23.8 -3.6 63 65 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 3,-0.2 0.922 107.9 57.0 -66.8 -46.6 -6.2 27.0 -1.5 64 66 A E H X S+ 0 0 78 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.872 106.0 53.1 -50.4 -36.7 -9.2 28.5 -3.4 65 67 A I H X S+ 0 0 22 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.885 107.9 48.8 -64.0 -41.4 -11.1 25.4 -2.1 66 68 A I H <>S+ 0 0 0 -4,-1.4 5,-1.7 -3,-0.2 4,-0.5 0.968 115.1 45.1 -61.5 -53.6 -10.0 26.3 1.4 67 69 A E H ><5S+ 0 0 83 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.949 111.2 52.2 -50.2 -58.0 -11.1 29.9 0.9 68 70 A K H 3<5S+ 0 0 187 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.6 50.0 -52.7 -34.7 -14.4 28.8 -0.7 69 71 A L T 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -3,-0.2 364,-0.2 0.543 110.0-126.5 -80.1 -8.5 -15.1 26.5 2.3 70 72 A G T < 5 + 0 0 41 -3,-2.4 2,-0.2 -4,-0.5 -3,-0.2 0.705 48.4 166.0 67.3 19.7 -14.3 29.5 4.7 71 73 A V < - 0 0 3 -5,-1.7 -1,-0.2 -6,-0.2 -60,-0.2 -0.512 27.3-152.4 -66.7 134.3 -11.8 27.3 6.6 72 74 A K + 0 0 91 -62,-1.3 40,-3.1 -2,-0.2 2,-0.3 0.680 66.8 33.7 -91.9 -20.9 -9.7 29.7 8.7 73 75 A A E -cd 11 112B 0 -63,-1.6 -61,-1.4 38,-0.3 2,-0.5 -0.983 58.2-156.0-138.4 145.2 -6.3 27.9 9.0 74 76 A Y E -cd 12 113B 2 38,-2.3 40,-2.9 -2,-0.3 2,-0.6 -0.979 5.4-161.5-125.0 115.5 -4.2 25.6 6.8 75 77 A R E +cd 13 114B 0 -63,-2.7 -61,-2.5 -2,-0.5 2,-0.3 -0.887 27.9 154.4 -90.9 119.5 -1.7 23.3 8.3 76 78 A F E - d 0 115B 6 38,-2.0 40,-2.9 -2,-0.6 2,-0.3 -0.943 32.2-128.3-139.8 160.7 0.8 22.2 5.7 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.768 13.3-127.4-113.5 160.3 4.4 21.0 5.7 78 80 A I - 0 0 0 38,-2.1 2,-0.9 -2,-0.3 41,-0.4 -0.878 21.9-123.5-105.3 134.6 7.5 22.0 4.0 79 81 A S >> - 0 0 9 -2,-0.4 4,-1.2 1,-0.2 3,-1.1 -0.676 16.5-154.6 -75.8 106.2 9.7 19.5 2.0 80 82 A W H >> S+ 0 0 0 -2,-0.9 4,-2.9 41,-0.3 3,-0.9 0.917 93.1 53.7 -49.2 -48.9 13.2 19.8 3.6 81 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-1.9 0, 0.0 -1,-0.2 0.750 101.5 58.1 -66.6 -20.8 14.8 18.6 0.4 82 84 A R H <4 S+ 0 0 7 -3,-1.1 13,-0.4 -54,-0.2 14,-0.2 0.840 116.0 37.2 -66.2 -32.6 13.1 21.3 -1.8 83 85 A I H << S+ 0 0 0 -4,-1.2 9,-3.0 -3,-0.9 13,-0.2 0.916 136.3 16.9 -85.6 -50.1 14.7 23.9 0.4 84 86 A L S >< S- 0 0 0 -4,-2.9 3,-2.5 7,-0.2 -1,-0.3 -0.887 70.1-166.3-127.9 93.7 18.1 22.3 1.0 85 87 A P T 3 S+ 0 0 5 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.756 92.7 37.4 -58.6 -29.5 18.6 19.6 -1.6 86 88 A E T 3 S- 0 0 101 4,-0.3 2,-0.9 2,-0.3 5,-0.1 0.138 116.8-112.9-101.1 14.0 21.6 18.0 0.3 87 89 A G S < S+ 0 0 0 -3,-2.5 2,-0.3 -7,-0.2 57,-0.1 -0.173 93.8 35.7 87.8 -44.9 20.0 18.7 3.7 88 90 A T S S+ 0 0 33 -2,-0.9 2,-0.7 55,-0.1 -2,-0.3 -0.891 106.6 22.1-132.4 163.4 22.5 21.3 4.7 89 91 A G S S+ 0 0 48 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.711 97.1 62.0 88.0-114.5 24.5 24.0 2.9 90 92 A R - 0 0 135 -2,-0.7 2,-0.4 1,-0.1 -4,-0.3 -0.175 65.8-149.8 -58.9 135.8 23.0 25.1 -0.4 91 93 A V - 0 0 61 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.926 10.0-138.3-104.4 134.4 19.5 26.7 -0.4 92 94 A N >> - 0 0 14 -9,-3.0 4,-1.7 -2,-0.4 3,-1.2 -0.818 8.6-162.3 -96.7 102.6 17.3 26.2 -3.4 93 95 A Q H 3> S+ 0 0 104 -2,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.838 89.9 58.2 -55.6 -36.4 15.5 29.5 -4.2 94 96 A K H 3> S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.786 104.2 52.5 -65.0 -29.4 12.9 27.7 -6.4 95 97 A G H <> S+ 0 0 1 -3,-1.2 4,-1.4 -13,-0.4 -1,-0.2 0.910 111.3 45.9 -68.1 -45.2 11.9 25.6 -3.3 96 98 A L H X S+ 0 0 2 -4,-1.7 4,-2.6 -14,-0.2 -2,-0.2 0.878 108.9 57.1 -62.3 -40.3 11.5 28.8 -1.3 97 99 A D H X S+ 0 0 62 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.907 103.0 54.2 -56.3 -48.4 9.5 30.4 -4.2 98 100 A F H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.899 115.1 37.7 -54.3 -51.5 6.9 27.5 -4.1 99 101 A Y H X S+ 0 0 1 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.827 111.8 60.5 -72.2 -34.3 6.1 27.9 -0.4 100 102 A N H X S+ 0 0 28 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.945 105.7 47.2 -54.2 -50.5 6.4 31.7 -0.7 101 103 A R H X S+ 0 0 112 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 113.8 48.6 -57.4 -44.1 3.5 31.7 -3.3 102 104 A I H X S+ 0 0 1 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.923 114.0 45.3 -61.1 -47.1 1.5 29.4 -1.0 103 105 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.937 114.3 47.2 -62.8 -50.0 2.0 31.6 2.1 104 106 A D H X S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.875 112.4 50.7 -62.4 -40.4 1.3 34.9 0.4 105 107 A T H X S+ 0 0 17 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.885 109.3 50.7 -63.1 -43.8 -1.8 33.5 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.948 112.3 46.5 -58.8 -50.7 -3.1 32.2 2.2 107 109 A L H ><5S+ 0 0 67 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.873 109.7 54.1 -61.3 -42.5 -2.5 35.7 3.8 108 110 A E H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 112.3 45.0 -53.2 -43.2 -4.2 37.5 0.9 109 111 A K T 3<5S- 0 0 57 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.272 117.8-111.8 -89.5 9.9 -7.2 35.2 1.4 110 112 A G T < 5 + 0 0 60 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.722 69.6 140.3 66.5 24.5 -7.2 35.6 5.2 111 113 A I < - 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