==== 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 07-OCT-06 2J7G . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,D.ZECHEL,A.VASELLA,G.J.DAVIES . 879 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 12.3 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 . 64 7.3 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 . 23 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 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 4 6 4 0 0 0 0 2 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 0 0 0 0 0 1 0 1 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 0 139 0, 0.0 2,-0.4 0, 0.0 438,-0.2 0.000 360.0 360.0 360.0 162.0 -26.0 24.3 20.0 2 4 A K E -A 438 0A 84 436,-2.6 436,-1.9 2,-0.0 2,-0.4 -0.847 360.0-175.6-126.7 93.6 -22.3 23.8 20.7 3 5 A K E -A 437 0A 133 -2,-0.4 434,-0.2 434,-0.2 433,-0.1 -0.756 14.1-140.3 -96.2 137.1 -20.5 27.1 20.0 4 6 A F - 0 0 10 432,-3.0 3,-0.1 -2,-0.4 4,-0.0 -0.380 36.4 -74.8 -89.0 166.4 -16.7 27.4 20.2 5 7 A P > - 0 0 56 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.204 61.4 -84.9 -57.2 152.6 -14.7 30.4 21.7 6 8 A E T 3 S+ 0 0 104 1,-0.3 430,-0.0 -3,-0.1 -3,-0.0 -0.346 116.3 14.7 -57.5 134.2 -14.4 33.6 19.7 7 9 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.1 429,-0.0 0.581 83.3 165.3 73.8 10.4 -11.5 33.4 17.2 8 10 A F < - 0 0 5 -3,-1.9 2,-1.0 1,-0.1 380,-0.2 -0.345 40.2-120.2 -54.2 136.2 -11.2 29.6 17.5 9 11 A L E -b 388 0B 28 378,-2.6 380,-2.0 63,-0.0 2,-0.5 -0.739 26.7-167.7 -97.1 99.8 -9.1 28.4 14.6 10 12 A W E +b 389 0B 0 -2,-1.0 63,-1.5 378,-0.2 62,-1.2 -0.713 25.2 164.2 -81.5 126.3 -10.9 26.0 12.3 11 13 A G E -bc 390 73B 0 378,-2.8 380,-2.2 -2,-0.5 2,-0.3 -0.774 37.0-138.3-136.1 175.8 -8.4 24.3 9.9 12 14 A V E -bc 391 74B 0 61,-1.3 63,-2.7 378,-0.3 2,-0.3 -0.955 25.5-146.4-129.6 156.9 -7.5 21.6 7.5 13 15 A A E +bc 392 75B 0 378,-2.6 381,-1.2 -2,-0.3 380,-0.6 -0.927 21.0 161.6-129.9 149.5 -4.2 19.8 7.3 14 16 A T - 0 0 1 61,-2.1 2,-0.3 -2,-0.3 383,-0.0 -0.862 25.2-133.1-143.8 176.2 -1.9 18.3 4.6 15 17 A A > - 0 0 0 -2,-0.3 4,-1.2 61,-0.2 3,-0.4 -0.989 23.2-119.1-138.6 146.5 1.8 17.2 4.2 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 0.860 108.7 42.7 -49.6 -55.6 4.2 17.9 1.4 17 19 A Y H 34 S+ 0 0 12 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.806 111.9 56.8 -68.2 -29.1 5.1 14.4 0.2 18 20 A Q H 34 S+ 0 0 1 -3,-0.4 380,-2.4 1,-0.1 -1,-0.2 0.794 125.3 13.8 -73.8 -27.4 1.5 13.3 0.4 19 21 A I H << S+ 0 0 2 -4,-1.2 36,-2.2 -3,-0.6 34,-0.7 0.679 110.1 70.6-118.0 -29.7 0.0 16.0 -1.9 20 22 A E < - 0 0 6 -4,-2.7 36,-2.4 -5,-0.3 37,-0.4 0.899 60.6-174.9 -66.8 -47.1 2.7 17.8 -3.9 21 23 A G + 0 0 3 -5,-0.3 30,-0.3 -4,-0.3 29,-0.2 -0.241 55.4 84.5 65.4-170.9 4.1 15.4 -6.5 22 24 A S > + 0 0 35 28,-2.6 3,-1.7 1,-0.1 28,-0.1 0.892 53.1 174.1 48.3 51.3 7.1 16.6 -8.6 23 25 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.739 76.7 38.6 -63.1 -24.8 9.6 15.6 -5.9 24 26 A L T > S+ 0 0 89 26,-0.1 3,-0.6 3,-0.1 -2,-0.1 0.251 88.9 127.3-110.3 13.2 12.6 16.4 -8.1 25 27 A A G X S+ 0 0 28 -3,-1.7 3,-1.7 1,-0.2 -4,-0.0 -0.340 71.1 6.5 -70.5 146.9 11.2 19.5 -9.8 26 28 A D G 3 S- 0 0 72 1,-0.3 -1,-0.2 -2,-0.0 68,-0.2 0.815 134.2 -47.7 55.6 43.7 13.2 22.8 -9.7 27 29 A G G < S+ 0 0 46 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.487 89.7 156.2 82.1 3.4 16.4 21.6 -8.2 28 30 A A < - 0 0 12 -3,-1.7 54,-0.3 1,-0.1 -1,-0.2 -0.295 37.9-129.4 -60.3 143.3 14.9 19.6 -5.2 29 31 A G - 0 0 14 52,-2.3 57,-0.1 1,-0.1 -4,-0.1 -0.540 34.3 -89.6 -83.3 161.4 17.0 16.8 -3.7 30 32 A M - 0 0 77 -2,-0.2 94,-2.8 55,-0.1 95,-0.5 -0.398 40.0-146.0 -64.1 146.3 15.6 13.3 -3.2 31 33 A S B > -K 123 0C 5 92,-0.3 4,-1.8 93,-0.1 3,-0.3 -0.702 28.2-106.4-100.4 167.7 13.9 12.6 0.1 32 34 A I H > S+ 0 0 3 90,-2.5 4,-2.2 -2,-0.2 5,-0.2 0.720 121.7 57.5 -64.0 -22.1 13.9 9.3 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.822 102.9 53.2 -79.6 -29.6 10.2 8.8 0.9 34 36 A H H > S+ 0 0 21 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.965 116.3 37.8 -59.1 -53.0 11.2 9.1 -2.7 35 37 A T H < S+ 0 0 32 -4,-1.8 -2,-0.2 2,-0.2 4,-0.2 0.896 117.5 50.8 -71.7 -39.6 13.9 6.4 -2.3 36 38 A F H >< S+ 0 0 12 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.929 113.3 44.6 -61.4 -47.2 11.7 4.2 0.1 37 39 A S H 3< S+ 0 0 6 -4,-2.1 6,-0.2 1,-0.3 -1,-0.2 0.775 109.5 56.0 -72.0 -25.9 8.6 4.3 -2.2 38 40 A H T 3< S+ 0 0 88 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.420 88.3 93.3 -85.2 2.5 10.7 3.6 -5.3 39 41 A T S X S- 0 0 72 -3,-1.2 3,-1.6 -4,-0.2 4,-0.3 -0.873 89.0-115.0 -92.5 117.5 12.0 0.5 -3.6 40 42 A P T 3 S+ 0 0 121 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.211 95.7 25.2 -53.2 138.0 9.8 -2.5 -4.6 41 43 A G T 3 S+ 0 0 78 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.213 96.2 91.9 97.6 -16.4 7.8 -4.0 -1.8 42 44 A N S < S+ 0 0 53 -3,-1.6 2,-0.4 -6,-0.3 -5,-0.1 0.785 84.6 40.6 -84.4 -29.9 7.6 -1.0 0.5 43 45 A V S > S- 0 0 11 -4,-0.3 3,-2.2 -6,-0.2 -2,-0.3 -0.982 92.4 -98.8-128.2 133.9 4.3 0.6 -0.6 44 46 A K G > S+ 0 0 46 357,-2.6 3,-2.0 -2,-0.4 360,-0.2 -0.173 106.9 2.0 -45.6 133.8 1.0 -1.0 -1.6 45 47 A N G 3 S- 0 0 126 1,-0.3 -1,-0.3 358,-0.1 357,-0.1 0.560 119.4 -80.4 62.6 8.4 0.6 -1.3 -5.3 46 48 A G G < S+ 0 0 54 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.737 80.6 168.7 70.3 22.3 4.0 0.1 -5.9 47 49 A D < - 0 0 36 -3,-2.0 2,-0.3 354,-0.1 -1,-0.2 -0.339 10.1-176.9 -68.6 148.2 2.5 3.6 -5.4 48 50 A T - 0 0 24 -10,-0.1 4,-0.5 -2,-0.0 3,-0.4 -0.858 40.0-111.1-134.9 173.2 4.8 6.6 -5.0 49 51 A G S S+ 0 0 2 -2,-0.3 -28,-0.3 -16,-0.2 4,-0.1 0.146 80.5 113.9 -89.3 18.9 4.6 10.4 -4.4 50 52 A D S S- 0 0 59 -29,-0.2 -28,-2.6 -28,-0.1 -1,-0.2 0.852 99.7 -0.5 -56.6 -40.1 5.8 11.2 -7.9 51 53 A V S > S+ 0 0 88 -3,-0.4 3,-2.8 -30,-0.3 4,-0.2 0.704 83.3 153.2-116.5 -48.8 2.5 12.7 -8.9 52 54 A A T 3 S- 0 0 5 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.265 85.5 -23.2 52.4-127.4 0.1 12.5 -5.8 53 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.232 83.0-124.0 -93.3 10.3 -2.4 15.4 -6.0 54 56 A D X> + 0 0 23 -3,-2.8 4,-2.4 1,-0.1 3,-1.4 0.814 58.3 152.5 46.2 35.7 -0.1 17.5 -8.3 55 57 A H H 3> + 0 0 3 -36,-2.2 4,-1.3 1,-0.3 -35,-0.2 0.782 60.0 74.6 -64.1 -22.6 -0.4 20.2 -5.7 56 58 A Y H 34 S+ 0 0 16 -36,-2.4 -1,-0.3 -37,-0.3 -35,-0.1 0.863 114.9 22.3 -57.7 -34.7 3.0 21.4 -6.8 57 59 A N H <4 S+ 0 0 104 -3,-1.4 3,-0.3 -37,-0.4 -2,-0.2 0.719 128.6 47.4 -96.5 -28.9 1.1 22.7 -9.9 58 60 A R H X S+ 0 0 83 -4,-2.4 4,-2.3 -38,-0.2 5,-0.2 0.195 71.0 117.5-102.9 15.3 -2.4 23.0 -8.5 59 61 A W H X S+ 0 0 38 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.821 74.1 53.0 -54.3 -40.8 -1.7 24.9 -5.3 60 62 A K H > S+ 0 0 113 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.964 109.8 48.0 -63.5 -50.5 -3.7 28.0 -6.2 61 63 A E H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.918 111.7 50.8 -50.6 -51.1 -6.8 26.0 -7.0 62 64 A D H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.903 110.6 47.5 -58.4 -43.8 -6.5 24.1 -3.7 63 65 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.902 107.3 57.0 -65.3 -40.8 -6.1 27.2 -1.6 64 66 A E H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.858 105.0 53.6 -57.0 -34.5 -9.2 28.7 -3.5 65 67 A I H X S+ 0 0 22 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.929 107.6 48.7 -62.6 -48.0 -11.0 25.6 -2.2 66 68 A I H <>S+ 0 0 1 -4,-1.8 5,-1.9 2,-0.2 4,-0.5 0.937 114.6 46.6 -54.4 -50.5 -10.0 26.4 1.4 67 69 A E H ><5S+ 0 0 84 -4,-2.7 3,-1.5 2,-0.2 -2,-0.2 0.925 110.7 50.9 -53.6 -53.7 -11.1 30.0 0.9 68 70 A K H 3<5S+ 0 0 186 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.874 110.1 50.7 -60.7 -34.5 -14.4 29.0 -0.7 69 71 A L T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.581 110.2-127.2 -76.0 -11.9 -15.1 26.7 2.3 70 72 A G T < 5 + 0 0 39 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.2 0.687 47.5 165.9 72.3 17.6 -14.3 29.6 4.6 71 73 A V < - 0 0 4 -5,-1.9 -1,-0.2 -6,-0.2 -60,-0.2 -0.459 27.3-152.2 -68.6 135.9 -11.7 27.5 6.5 72 74 A K + 0 0 83 -62,-1.2 40,-2.9 -2,-0.2 2,-0.3 0.666 67.4 32.2 -91.6 -18.7 -9.7 29.8 8.7 73 75 A A E -cd 11 112B 0 -63,-1.5 -61,-1.3 38,-0.3 2,-0.4 -0.986 58.2-156.2-141.5 148.3 -6.3 28.0 9.0 74 76 A Y E -cd 12 113B 1 38,-2.3 40,-2.6 -2,-0.3 2,-0.6 -0.980 5.3-159.7-130.1 116.9 -4.2 25.8 6.8 75 77 A R E +cd 13 114B 0 -63,-2.7 -61,-2.1 -2,-0.4 2,-0.3 -0.870 28.2 156.1 -93.1 119.4 -1.6 23.4 8.3 76 78 A F E - d 0 115B 6 38,-2.0 40,-3.0 -2,-0.6 2,-0.3 -0.928 31.4-127.8-138.1 161.4 0.9 22.4 5.6 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.825 12.5-129.1-114.9 157.8 4.5 21.1 5.7 78 80 A I - 0 0 0 38,-1.8 2,-0.9 -2,-0.3 41,-0.4 -0.878 21.7-125.6-102.4 131.2 7.6 22.2 4.0 79 81 A S >> - 0 0 10 -2,-0.4 3,-1.5 1,-0.2 4,-1.1 -0.683 16.9-154.0 -74.8 105.5 9.8 19.6 2.0 80 82 A W H >> S+ 0 0 0 -2,-0.9 4,-3.3 41,-0.3 3,-0.9 0.895 92.2 53.2 -47.1 -51.1 13.3 20.0 3.6 81 83 A P H 34 S+ 0 0 1 0, 0.0 -52,-2.3 0, 0.0 -1,-0.3 0.672 102.4 58.4 -70.5 -9.7 15.1 18.8 0.4 82 84 A R H <4 S+ 0 0 5 -3,-1.5 13,-0.4 -54,-0.3 14,-0.2 0.825 115.8 37.0 -74.2 -31.1 13.2 21.4 -1.8 83 85 A I H << S+ 0 0 0 -4,-1.1 9,-3.0 -3,-0.9 13,-0.2 0.909 137.0 16.5 -87.0 -49.4 14.8 24.0 0.5 84 86 A L S >< S- 0 0 0 -4,-3.3 3,-2.2 7,-0.2 -1,-0.3 -0.887 70.5-166.1-127.6 95.7 18.2 22.4 1.1 85 87 A P T 3 S+ 0 0 4 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.788 92.7 38.3 -58.1 -29.9 18.8 19.7 -1.6 86 88 A E T 3 S- 0 0 101 4,-0.3 2,-0.7 2,-0.3 5,-0.1 0.201 116.6-112.9 -98.6 8.8 21.8 18.2 0.3 87 89 A G S < S+ 0 0 0 -3,-2.2 2,-0.3 -7,-0.2 57,-0.1 -0.193 94.0 33.2 89.7 -45.6 20.1 18.8 3.7 88 90 A T S S+ 0 0 35 -2,-0.7 2,-0.7 55,-0.1 -2,-0.3 -0.915 107.7 23.1-131.7 165.1 22.7 21.4 4.8 89 91 A G S S+ 0 0 48 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.729 96.7 63.5 89.0-113.0 24.7 24.1 3.0 90 92 A R - 0 0 134 -2,-0.7 2,-0.5 1,-0.1 -4,-0.3 -0.184 65.8-150.0 -59.7 132.9 23.1 25.2 -0.3 91 93 A V - 0 0 59 -7,-0.2 2,-0.7 -6,-0.1 -7,-0.2 -0.914 8.9-139.7-103.7 132.3 19.7 26.9 -0.3 92 94 A N >> - 0 0 16 -9,-3.0 4,-1.9 -2,-0.5 3,-0.7 -0.804 8.6-164.1 -95.1 107.5 17.4 26.4 -3.3 93 95 A Q H 3> S+ 0 0 101 -2,-0.7 4,-2.8 1,-0.3 -1,-0.1 0.844 89.4 58.2 -64.7 -32.8 15.6 29.7 -4.2 94 96 A K H 3> S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.839 105.3 51.2 -65.2 -32.1 13.0 27.9 -6.3 95 97 A G H <> S+ 0 0 2 -3,-0.7 4,-1.4 -13,-0.4 -2,-0.2 0.914 111.7 46.2 -67.9 -46.0 12.0 25.8 -3.3 96 98 A L H X S+ 0 0 1 -4,-1.9 4,-3.0 -14,-0.2 -2,-0.2 0.906 109.5 55.6 -60.0 -42.7 11.6 28.9 -1.2 97 99 A D H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.897 102.5 56.9 -57.0 -45.6 9.6 30.6 -4.0 98 100 A F H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.934 115.3 35.5 -52.1 -53.0 7.1 27.6 -4.1 99 101 A Y H X S+ 0 0 1 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.853 111.2 62.2 -73.5 -35.4 6.2 28.1 -0.4 100 102 A N H X S+ 0 0 29 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.924 104.6 48.6 -51.8 -46.8 6.5 31.9 -0.6 101 103 A R H X S+ 0 0 102 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.872 112.2 48.8 -62.0 -40.3 3.6 31.9 -3.1 102 104 A I H X S+ 0 0 2 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.944 112.9 46.9 -62.6 -50.8 1.5 29.7 -0.9 103 105 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.939 114.3 46.8 -57.2 -48.7 2.1 31.8 2.2 104 106 A D H X S+ 0 0 60 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.902 112.3 50.3 -65.1 -41.4 1.4 35.1 0.4 105 107 A T H X S+ 0 0 18 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.914 110.3 49.3 -58.9 -49.1 -1.8 33.7 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.925 113.1 46.9 -56.1 -50.7 -3.1 32.4 2.2 107 109 A L H ><5S+ 0 0 65 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.923 109.2 54.0 -58.9 -48.0 -2.4 35.8 3.9 108 110 A E H 3<5S+ 0 0 161 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.5 45.3 -51.8 -37.2 -4.1 37.7 1.0 109 111 A K T 3<5S- 0 0 61 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.307 118.3-111.3 -93.3 7.0 -7.2 35.4 1.5 110 112 A G T < 5 + 0 0 61 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.777 70.0 140.7 68.4 30.0 -7.2 35.8 5.3 111 113 A I < - 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