==== 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 2J7C . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,D.ZECHEL,A.VASELLA,G.J.DAVIES . 880 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 673 76.5 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 . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 105 11.9 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 0 2 1 3 1 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 6 5 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 . 4 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 2 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 0 141 0, 0.0 2,-0.5 0, 0.0 438,-0.2 0.000 360.0 360.0 360.0 153.1 -25.8 24.3 20.0 2 4 A K E -A 438 0A 85 436,-1.4 436,-1.7 2,-0.0 2,-0.3 -0.762 360.0-179.2-116.2 83.8 -22.0 23.8 20.7 3 5 A K E -A 437 0A 92 -2,-0.5 434,-0.2 434,-0.2 433,-0.1 -0.630 17.2-137.1 -85.4 141.4 -20.3 27.0 19.9 4 6 A F - 0 0 11 432,-3.1 3,-0.1 -2,-0.3 -1,-0.1 -0.416 35.7 -73.1 -92.9 167.6 -16.5 27.4 20.2 5 7 A P > - 0 0 57 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.176 60.1 -86.8 -58.6 152.2 -14.5 30.3 21.7 6 8 A E T 3 S+ 0 0 189 1,-0.2 430,-0.0 -3,-0.1 -3,-0.0 -0.350 116.6 18.7 -54.7 134.9 -14.2 33.6 19.8 7 9 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.1 429,-0.0 0.495 83.1 163.3 78.8 3.6 -11.2 33.3 17.4 8 10 A F < - 0 0 5 -3,-1.8 2,-0.9 1,-0.1 -1,-0.2 -0.304 39.4-123.2 -55.1 133.5 -11.0 29.5 17.4 9 11 A L E -b 388 0B 28 378,-2.4 380,-2.5 63,-0.0 2,-0.6 -0.744 23.7-167.5 -95.2 103.4 -8.9 28.3 14.5 10 12 A W E +b 389 0B 0 -2,-0.9 63,-1.7 378,-0.2 62,-1.1 -0.802 25.7 166.8 -84.4 123.3 -10.7 25.9 12.2 11 13 A G E -bc 390 73B 0 378,-3.0 380,-2.2 -2,-0.6 2,-0.3 -0.795 36.2-140.7-132.1 172.6 -8.2 24.3 9.9 12 14 A V E -bc 391 74B 0 61,-1.5 63,-2.9 378,-0.3 2,-0.3 -0.942 25.9-145.4-127.2 154.8 -7.3 21.6 7.4 13 15 A A E +bc 392 75B 0 378,-2.5 381,-1.2 -2,-0.3 380,-0.6 -0.931 21.4 162.4-127.6 146.4 -4.0 19.8 7.3 14 16 A T - 0 0 1 61,-2.5 2,-0.3 -2,-0.3 383,-0.0 -0.828 24.4-134.1-141.0 179.1 -1.6 18.3 4.6 15 17 A A > - 0 0 0 -2,-0.2 4,-1.2 61,-0.2 5,-0.3 -0.983 22.8-120.7-140.9 144.0 2.0 17.2 4.2 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.7 0.887 108.9 42.4 -47.8 -58.1 4.5 18.0 1.4 17 19 A Y H 34 S+ 0 0 11 102,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.828 112.0 56.6 -67.0 -31.3 5.3 14.4 0.2 18 20 A Q H 34 S+ 0 0 0 -3,-0.2 380,-2.4 1,-0.1 -1,-0.2 0.785 125.3 14.0 -70.0 -26.7 1.7 13.3 0.4 19 21 A I H << S+ 0 0 3 -4,-1.2 36,-2.3 -3,-0.7 34,-0.7 0.698 110.1 69.9-120.2 -29.2 0.3 16.0 -1.9 20 22 A E < - 0 0 6 -4,-2.7 36,-2.3 -5,-0.3 37,-0.3 0.899 60.1-175.7 -69.2 -46.8 2.9 17.8 -3.9 21 23 A G + 0 0 2 -4,-0.4 30,-0.3 -5,-0.3 29,-0.2 -0.264 55.1 87.1 63.7-168.9 4.3 15.4 -6.5 22 24 A S > + 0 0 35 28,-2.5 3,-1.7 1,-0.1 28,-0.1 0.891 53.0 174.0 46.4 51.1 7.2 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 0.730 76.1 37.1 -61.3 -22.9 9.8 15.5 -5.9 24 26 A L T > S+ 0 0 89 26,-0.1 3,-0.5 3,-0.1 -2,-0.1 0.233 88.7 124.9-116.1 13.5 12.8 16.4 -8.1 25 27 A A G X S+ 0 0 29 -3,-1.7 3,-1.7 1,-0.2 -4,-0.0 -0.376 71.8 10.3 -71.8 151.4 11.5 19.5 -9.8 26 28 A D G 3 S- 0 0 72 1,-0.3 -1,-0.2 -2,-0.1 68,-0.1 0.849 134.1 -51.3 53.0 47.6 13.4 22.9 -9.6 27 29 A G G < S+ 0 0 46 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.523 88.4 158.7 72.7 5.5 16.6 21.5 -8.1 28 30 A A < - 0 0 13 -3,-1.7 54,-0.3 1,-0.1 -1,-0.2 -0.292 36.7-127.6 -55.3 143.8 15.0 19.6 -5.2 29 31 A G - 0 0 15 52,-2.5 57,-0.1 1,-0.1 2,-0.1 -0.531 33.0 -88.7 -82.1 160.8 17.2 16.8 -3.6 30 32 A M - 0 0 75 -2,-0.2 94,-2.5 55,-0.1 95,-0.5 -0.414 41.0-149.7 -59.7 145.3 15.9 13.3 -3.1 31 33 A S B > -K 123 0C 6 92,-0.3 4,-1.9 93,-0.1 3,-0.4 -0.732 29.2-106.4-107.7 168.3 14.1 12.6 0.2 32 34 A I H > S+ 0 0 3 90,-2.4 4,-2.0 -2,-0.3 5,-0.1 0.698 121.4 57.2 -66.0 -23.8 14.1 9.2 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.0 2,-0.2 16,-0.2 0.795 104.1 53.0 -77.5 -29.2 10.4 8.8 0.9 34 36 A H H > S+ 0 0 19 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.980 116.2 37.7 -61.4 -56.9 11.4 9.2 -2.7 35 37 A T H < S+ 0 0 34 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.861 118.2 50.7 -68.1 -36.9 14.1 6.4 -2.3 36 38 A F H >< S+ 0 0 12 -4,-2.0 3,-1.1 1,-0.2 6,-0.3 0.916 112.7 44.7 -64.1 -45.6 11.9 4.2 0.0 37 39 A S H 3< S+ 0 0 6 -4,-2.0 6,-0.2 1,-0.3 -2,-0.2 0.788 109.6 55.9 -77.4 -23.4 8.8 4.3 -2.3 38 40 A H T 3< S+ 0 0 87 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.382 87.8 94.7 -82.5 4.2 10.9 3.6 -5.4 39 41 A T S X S- 0 0 67 -3,-1.1 3,-1.6 -5,-0.1 4,-0.4 -0.882 88.9-116.0 -94.2 116.5 12.2 0.5 -3.6 40 42 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.265 95.4 23.7 -55.2 137.6 9.9 -2.4 -4.7 41 43 A G T 3 S+ 0 0 78 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.223 96.4 92.9 95.7 -11.9 7.9 -4.0 -1.9 42 44 A N S < S+ 0 0 55 -3,-1.6 2,-0.4 -6,-0.3 -5,-0.1 0.848 84.7 38.1 -84.6 -34.9 7.8 -1.0 0.5 43 45 A V S > S- 0 0 10 -4,-0.4 3,-2.1 -6,-0.2 -2,-0.3 -0.952 94.6 -92.9-125.0 136.9 4.5 0.7 -0.5 44 46 A K G > S- 0 0 51 357,-3.0 3,-2.1 -2,-0.4 360,-0.2 -0.131 106.6 -1.3 -47.1 132.5 1.2 -0.8 -1.6 45 47 A N G 3 S- 0 0 117 1,-0.3 -1,-0.3 358,-0.1 3,-0.1 0.616 119.5 -76.8 61.9 15.4 0.8 -1.3 -5.4 46 48 A G G < S+ 0 0 54 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.709 82.6 169.5 68.2 17.8 4.2 0.2 -6.0 47 49 A D < + 0 0 33 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 -0.274 8.0 179.2 -61.9 144.8 2.7 3.7 -5.4 48 50 A T - 0 0 24 -3,-0.1 4,-0.5 -10,-0.1 3,-0.4 -0.885 41.9-109.8-135.7 175.2 5.0 6.7 -5.0 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.2 -16,-0.2 4,-0.1 0.152 79.7 114.7 -88.8 20.8 4.9 10.4 -4.4 50 52 A D S S- 0 0 59 -29,-0.2 -28,-2.5 -28,-0.1 -1,-0.2 0.892 99.9 -1.6 -58.6 -41.2 6.0 11.2 -8.0 51 53 A V S > S+ 0 0 88 -3,-0.4 3,-2.7 -30,-0.3 5,-0.2 0.734 84.2 154.0-116.8 -46.1 2.7 12.8 -8.9 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.222 84.5 -22.3 50.1-129.1 0.4 12.5 -5.9 53 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.316 83.1-125.3 -88.0 7.3 -2.2 15.4 -6.0 54 56 A D X> + 0 0 22 -3,-2.7 4,-2.2 1,-0.1 3,-1.5 0.810 58.5 152.1 43.8 38.7 0.1 17.4 -8.3 55 57 A H H 3> + 0 0 3 -36,-2.3 4,-1.4 1,-0.3 -35,-0.2 0.778 58.6 75.6 -64.8 -22.7 -0.2 20.2 -5.7 56 58 A Y H 34 S+ 0 0 13 -36,-2.3 -1,-0.3 -37,-0.3 -35,-0.1 0.836 114.1 21.1 -59.0 -32.2 3.2 21.4 -6.8 57 59 A N H <4 S+ 0 0 104 -3,-1.5 3,-0.3 -37,-0.3 -2,-0.2 0.711 129.0 48.0-100.1 -28.8 1.4 22.8 -9.9 58 60 A R H X S+ 0 0 84 -4,-2.2 4,-2.3 1,-0.2 -3,-0.2 0.199 71.3 116.8-104.2 12.8 -2.2 23.0 -8.5 59 61 A W H X S+ 0 0 36 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.837 74.2 52.6 -50.3 -44.3 -1.5 24.8 -5.2 60 62 A K H > S+ 0 0 113 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.944 109.8 48.5 -64.0 -49.4 -3.5 28.0 -6.2 61 63 A E H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 112.1 50.4 -47.9 -49.8 -6.6 26.0 -7.0 62 64 A D H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.881 111.3 46.6 -63.8 -40.8 -6.3 24.0 -3.7 63 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.904 107.6 56.7 -66.8 -43.9 -5.9 27.2 -1.7 64 66 A E H X S+ 0 0 75 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.892 105.8 53.0 -51.9 -38.8 -8.9 28.7 -3.5 65 67 A I H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.903 108.6 48.6 -59.3 -43.1 -10.8 25.6 -2.3 66 68 A I H <>S+ 0 0 1 -4,-1.4 5,-1.8 2,-0.2 4,-0.4 0.937 114.1 46.1 -61.8 -49.9 -9.7 26.4 1.3 67 69 A E H ><5S+ 0 0 84 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.958 111.9 50.4 -56.4 -56.2 -10.8 30.0 0.9 68 70 A K H 3<5S+ 0 0 187 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.3 52.3 -57.3 -34.6 -14.2 29.1 -0.7 69 71 A L T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 365,-0.2 0.573 111.1-127.2 -74.2 -10.3 -14.8 26.6 2.2 70 72 A G T < 5 + 0 0 42 -3,-2.2 2,-0.2 -4,-0.4 -3,-0.2 0.682 48.4 165.1 70.4 18.4 -14.1 29.5 4.6 71 73 A V < - 0 0 3 -5,-1.8 -1,-0.2 1,-0.1 -60,-0.1 -0.504 28.1-152.7 -70.3 134.9 -11.6 27.5 6.5 72 74 A K + 0 0 87 -62,-1.1 40,-3.0 -2,-0.2 2,-0.3 0.619 68.0 35.6 -89.6 -20.3 -9.5 29.8 8.7 73 75 A A E -cd 11 112B 0 -63,-1.7 -61,-1.5 38,-0.2 2,-0.5 -0.993 57.6-158.3-140.2 145.5 -6.1 27.9 9.0 74 76 A Y E -cd 12 113B 1 38,-2.3 40,-2.7 -2,-0.3 2,-0.7 -0.973 5.5-160.6-127.3 115.8 -4.0 25.7 6.8 75 77 A R E +cd 13 114B 0 -63,-2.9 -61,-2.5 -2,-0.5 2,-0.3 -0.873 27.9 155.3 -91.8 117.6 -1.5 23.3 8.2 76 78 A F E - d 0 115B 5 38,-1.9 40,-2.6 -2,-0.7 2,-0.3 -0.931 31.3-128.6-134.2 162.8 1.1 22.3 5.6 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.788 12.9-127.0-114.8 161.1 4.7 21.1 5.7 78 80 A I - 0 0 0 38,-1.8 2,-0.9 -2,-0.3 41,-0.4 -0.873 21.9-125.4-103.8 131.2 7.8 22.1 4.0 79 81 A S >> - 0 0 10 -2,-0.4 3,-1.5 1,-0.2 4,-1.1 -0.704 16.9-154.2 -73.9 103.9 10.0 19.6 2.0 80 82 A W H >> S+ 0 0 0 -2,-0.9 4,-2.9 41,-0.3 3,-1.1 0.915 92.1 54.3 -44.7 -52.4 13.4 19.9 3.6 81 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.5 0, 0.0 -1,-0.2 0.649 101.7 58.2 -66.4 -13.5 15.2 18.7 0.4 82 84 A R H <4 S+ 0 0 6 -3,-1.5 13,-0.4 -54,-0.3 14,-0.2 0.800 115.4 37.6 -72.6 -30.8 13.5 21.4 -1.8 83 85 A I H << S+ 0 0 0 -4,-1.1 9,-2.8 -3,-1.1 13,-0.2 0.902 136.3 17.1 -87.9 -47.7 15.0 24.0 0.5 84 86 A L S >< S- 0 0 0 -4,-2.9 3,-2.5 7,-0.2 -1,-0.3 -0.877 70.8-166.2-129.9 91.8 18.4 22.4 1.1 85 87 A P T 3 S+ 0 0 4 0, 0.0 40,-0.4 0, 0.0 -1,-0.1 0.784 93.0 37.0 -53.1 -34.3 19.0 19.7 -1.6 86 88 A E T 3 S- 0 0 103 4,-0.3 2,-1.0 2,-0.3 5,-0.1 0.148 117.7-111.9 -99.4 14.6 21.9 18.1 0.3 87 89 A G S < S+ 0 0 0 -3,-2.5 2,-0.3 -7,-0.2 57,-0.1 -0.129 94.0 33.4 84.9 -43.9 20.3 18.8 3.7 88 90 A T S S+ 0 0 43 -2,-1.0 2,-0.7 55,-0.1 -2,-0.3 -0.897 107.0 23.8-132.3 170.5 22.8 21.4 4.8 89 91 A G S S+ 0 0 49 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.677 96.9 63.7 82.6-111.1 24.8 24.0 3.0 90 92 A R - 0 0 132 -2,-0.7 2,-0.4 1,-0.1 -4,-0.3 -0.191 65.9-150.1 -62.8 134.5 23.3 25.1 -0.3 91 93 A V - 0 0 61 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.878 9.0-140.7-103.3 131.7 19.9 26.9 -0.2 92 94 A N >> - 0 0 17 -9,-2.8 4,-1.7 -2,-0.4 3,-0.9 -0.830 7.5-163.1 -95.5 106.3 17.6 26.4 -3.3 93 95 A Q H 3> S+ 0 0 103 -2,-0.8 4,-2.7 1,-0.3 -1,-0.2 0.850 89.6 59.2 -61.0 -33.0 15.8 29.7 -4.1 94 96 A K H 3> S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.777 104.2 49.8 -66.9 -30.0 13.2 27.9 -6.2 95 97 A G H <> S+ 0 0 2 -3,-0.9 4,-1.4 -13,-0.4 -1,-0.2 0.894 112.5 47.4 -71.5 -42.0 12.2 25.7 -3.3 96 98 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 -14,-0.2 -2,-0.2 0.891 108.5 55.2 -63.1 -42.0 11.8 28.9 -1.2 97 99 A D H X S+ 0 0 64 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 103.0 57.0 -59.4 -45.4 9.8 30.6 -4.0 98 100 A F H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.896 113.9 37.1 -49.1 -51.1 7.3 27.6 -4.0 99 101 A Y H X S+ 0 0 1 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.818 111.0 61.5 -78.1 -30.9 6.4 28.0 -0.3 100 102 A N H X S+ 0 0 27 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.941 105.0 48.2 -54.9 -51.7 6.6 31.9 -0.5 101 103 A R H X S+ 0 0 107 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.887 112.9 47.9 -54.6 -44.7 3.8 31.9 -3.1 102 104 A I H X S+ 0 0 2 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.953 114.3 46.7 -61.6 -51.8 1.7 29.6 -0.9 103 105 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.934 114.0 46.4 -54.9 -51.6 2.4 31.7 2.2 104 106 A D H X S+ 0 0 65 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.876 112.5 51.2 -62.3 -39.7 1.6 35.1 0.4 105 107 A T H X S+ 0 0 17 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.913 109.7 48.8 -62.9 -48.6 -1.6 33.6 -1.1 106 108 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 4,-0.2 0.923 112.4 49.0 -56.7 -50.9 -2.9 32.3 2.2 107 109 A L H ><5S+ 0 0 66 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.921 109.0 52.1 -55.6 -49.6 -2.2 35.7 3.9 108 110 A E H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 112.8 46.7 -52.9 -39.4 -4.0 37.6 1.0 109 111 A K T 3<5S- 0 0 58 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.345 119.1-111.1 -89.0 4.9 -7.0 35.4 1.5 110 112 A G T < 5 + 0 0 60 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.736 69.5 141.4 72.0 24.9 -7.0 35.7 5.3 111 113 A I < - 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