==== 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 2J79 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,D.ZECHEL,A.VASELLA,G.J.DAVIES . 878 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 4.3 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 . 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 . 65 7.4 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 . 286 32.6 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 0 2 1 0 3 2 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 7 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 . 6 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 0 157 0, 0.0 2,-0.5 0, 0.0 438,-0.3 0.000 360.0 360.0 360.0 126.4 -25.8 24.0 19.9 2 4 A K E -A 438 0A 80 436,-2.9 436,-1.8 2,-0.0 2,-0.4 -0.858 360.0-174.7-124.5 93.4 -22.1 23.8 20.6 3 5 A K E -A 437 0A 146 -2,-0.5 434,-0.2 434,-0.2 433,-0.1 -0.728 14.8-139.7 -91.9 137.9 -20.4 27.1 19.9 4 6 A F - 0 0 10 432,-3.0 3,-0.1 -2,-0.4 373,-0.0 -0.429 36.5 -74.4 -89.0 167.0 -16.6 27.3 20.1 5 7 A P > - 0 0 56 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.182 61.5 -81.3 -58.7 154.1 -14.6 30.3 21.6 6 8 A E T 3 S+ 0 0 197 1,-0.3 430,-0.0 -3,-0.1 -3,-0.0 -0.315 117.8 11.0 -50.1 128.0 -14.2 33.6 19.7 7 9 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 429,-0.0 0.565 83.3 165.6 74.2 9.0 -11.4 33.3 17.2 8 10 A F < - 0 0 5 -3,-2.0 2,-0.9 1,-0.1 380,-0.2 -0.317 40.2-119.4 -52.4 136.5 -11.1 29.4 17.5 9 11 A L E -b 388 0B 28 378,-2.5 380,-2.1 63,-0.0 2,-0.5 -0.745 25.6-166.5 -98.0 100.9 -9.0 28.3 14.5 10 12 A W E +b 389 0B 0 -2,-0.9 63,-1.6 378,-0.2 62,-1.3 -0.714 26.6 165.4 -81.8 124.7 -10.8 25.8 12.2 11 13 A G E -bc 390 73B 0 378,-2.9 380,-2.3 -2,-0.5 2,-0.3 -0.788 35.8-141.4-134.2 173.2 -8.3 24.2 9.9 12 14 A V E -bc 391 74B 0 61,-1.4 63,-2.8 378,-0.3 2,-0.3 -0.958 24.7-146.8-130.0 156.7 -7.4 21.5 7.4 13 15 A A E +bc 392 75B 0 378,-2.5 381,-1.1 -2,-0.3 380,-0.6 -0.938 20.7 163.3-130.5 148.2 -4.0 19.7 7.2 14 16 A T - 0 0 1 61,-2.3 2,-0.3 -2,-0.3 383,-0.0 -0.807 24.7-133.1-141.6 177.8 -1.7 18.2 4.5 15 17 A A > - 0 0 0 -2,-0.2 4,-1.4 61,-0.2 5,-0.3 -0.986 23.0-118.8-139.8 147.0 1.9 17.1 4.2 16 18 A S H > S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.5 0.876 109.2 41.4 -51.2 -55.6 4.4 17.9 1.4 17 19 A Y H 4 S+ 0 0 12 102,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.844 112.3 56.6 -69.0 -31.6 5.2 14.3 0.2 18 20 A Q H 4 S+ 0 0 1 -3,-0.2 380,-2.4 1,-0.1 -1,-0.2 0.808 125.4 14.7 -69.7 -29.4 1.6 13.2 0.5 19 21 A I H < S+ 0 0 2 -4,-1.4 36,-2.0 -3,-0.5 34,-0.8 0.718 110.5 68.4-115.7 -29.9 0.2 15.9 -1.8 20 22 A E < - 0 0 6 -4,-2.7 36,-2.3 -5,-0.3 37,-0.3 0.873 60.2-175.4 -69.9 -43.5 2.8 17.7 -3.9 21 23 A G + 0 0 2 -4,-0.4 30,-0.3 -5,-0.3 29,-0.2 -0.220 55.0 88.1 61.8-167.3 4.3 15.3 -6.5 22 24 A S > + 0 0 35 28,-2.5 3,-1.8 1,-0.1 28,-0.1 0.886 52.3 172.9 47.2 49.0 7.2 16.6 -8.6 23 25 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.722 76.3 37.4 -62.2 -24.1 9.7 15.4 -5.9 24 26 A L T > S+ 0 0 87 26,-0.1 3,-0.7 6,-0.1 -2,-0.1 0.268 89.6 127.3-111.2 13.3 12.7 16.3 -8.1 25 27 A A G X S+ 0 0 29 -3,-1.8 3,-1.8 1,-0.2 -4,-0.0 -0.333 71.4 6.3 -70.8 149.4 11.4 19.4 -9.7 26 28 A D G 3 S- 0 0 75 1,-0.3 -1,-0.2 2,-0.0 68,-0.2 0.817 134.2 -48.5 52.6 43.1 13.3 22.7 -9.7 27 29 A G G < S+ 0 0 44 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.495 88.9 157.4 82.0 3.5 16.5 21.5 -8.1 28 30 A A < - 0 0 12 -3,-1.8 54,-0.3 1,-0.1 -1,-0.2 -0.288 37.6-128.9 -59.2 142.9 15.0 19.6 -5.2 29 31 A G - 0 0 14 52,-2.4 57,-0.1 1,-0.1 -4,-0.1 -0.530 34.0 -89.3 -83.6 162.9 17.1 16.8 -3.7 30 32 A M - 0 0 75 -2,-0.2 94,-2.8 55,-0.1 95,-0.5 -0.404 40.0-147.7 -64.7 147.4 15.7 13.3 -3.2 31 33 A S B > -M 123 0C 7 92,-0.3 4,-1.8 93,-0.1 3,-0.2 -0.690 28.6-107.4-104.0 170.2 14.0 12.6 0.2 32 34 A I H > S+ 0 0 3 90,-2.4 4,-2.1 -2,-0.2 5,-0.2 0.698 121.2 59.0 -69.6 -20.2 14.0 9.2 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.840 103.0 52.3 -77.3 -31.1 10.3 8.8 1.0 34 36 A H H > S+ 0 0 21 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.972 116.7 37.5 -59.6 -53.6 11.3 9.1 -2.7 35 37 A T H < S+ 0 0 33 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.878 117.5 51.7 -71.6 -36.7 13.9 6.3 -2.3 36 38 A F H >< S+ 0 0 12 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.935 112.7 43.6 -63.6 -48.4 11.8 4.2 0.1 37 39 A S H 3< S+ 0 0 6 -4,-2.3 6,-0.2 1,-0.3 -1,-0.2 0.757 110.1 57.2 -71.8 -20.9 8.7 4.3 -2.2 38 40 A H T 3< S+ 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.416 88.0 93.0 -87.6 2.1 10.9 3.6 -5.2 39 41 A T S X S- 0 0 70 -3,-1.2 3,-1.6 -4,-0.1 4,-0.3 -0.876 89.1-113.9 -94.4 118.3 12.1 0.4 -3.5 40 42 A P T 3 S+ 0 0 123 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.217 95.7 23.5 -52.6 137.0 9.9 -2.6 -4.5 41 43 A G T 3 S+ 0 0 80 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.221 96.5 94.1 96.6 -12.4 7.9 -4.1 -1.7 42 44 A N S < S+ 0 0 51 -3,-1.6 2,-0.4 -6,-0.3 -5,-0.1 0.798 83.3 37.9 -84.8 -32.2 7.7 -1.1 0.6 43 45 A V S > S- 0 0 9 -4,-0.3 3,-2.3 -6,-0.2 -2,-0.3 -0.983 93.0 -96.6-127.7 136.3 4.4 0.6 -0.5 44 46 A K G > S+ 0 0 52 357,-2.8 3,-2.0 -2,-0.4 360,-0.2 -0.127 107.2 2.8 -49.3 137.3 1.1 -1.0 -1.4 45 47 A N G 3 S- 0 0 118 1,-0.3 -1,-0.3 358,-0.1 3,-0.1 0.556 119.0 -81.2 62.0 8.8 0.7 -1.4 -5.2 46 48 A G G < S+ 0 0 53 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.697 80.6 169.4 71.5 18.4 4.1 0.1 -5.8 47 49 A D < - 0 0 34 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 -0.263 10.0-176.0 -64.9 149.8 2.6 3.5 -5.3 48 50 A T - 0 0 24 -3,-0.1 4,-0.5 -10,-0.1 3,-0.4 -0.863 39.4-112.0-136.6 175.0 4.9 6.5 -5.0 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 -16,-0.2 -15,-0.1 0.133 79.5 114.1 -92.9 22.3 4.7 10.2 -4.3 50 52 A D S S- 0 0 58 -29,-0.2 -28,-2.5 -28,-0.1 -1,-0.2 0.867 99.6 -0.9 -60.5 -39.4 5.9 11.1 -7.9 51 53 A V S > S+ 0 0 85 -3,-0.4 3,-2.8 -30,-0.3 5,-0.2 0.708 83.3 154.4-116.4 -47.4 2.6 12.7 -8.8 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.255 84.9 -23.2 53.6-127.7 0.3 12.4 -5.8 53 55 A C T 3 S- 0 0 0 -34,-0.8 -1,-0.3 -35,-0.2 -33,-0.1 0.239 84.0-123.5 -92.9 8.8 -2.3 15.2 -6.0 54 56 A D X> + 0 0 22 -3,-2.8 4,-2.2 1,-0.1 3,-1.8 0.794 58.0 153.4 49.6 34.4 0.0 17.3 -8.2 55 57 A H H 3> + 0 0 3 -36,-2.0 4,-1.4 1,-0.3 -35,-0.2 0.793 59.6 75.5 -61.4 -24.0 -0.3 20.1 -5.6 56 58 A Y H 34 S+ 0 0 15 -36,-2.3 -1,-0.3 -37,-0.3 -35,-0.1 0.846 114.8 21.0 -58.3 -31.1 3.1 21.3 -6.8 57 59 A N H <4 S+ 0 0 103 -3,-1.8 3,-0.3 -37,-0.3 -2,-0.2 0.700 128.7 48.1-101.6 -27.3 1.2 22.7 -9.9 58 60 A R H X S+ 0 0 83 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.207 71.5 116.3-104.1 11.2 -2.3 22.9 -8.5 59 61 A W H X S+ 0 0 36 -4,-1.4 4,-2.2 1,-0.2 5,-0.2 0.809 73.8 54.0 -53.5 -40.5 -1.5 24.7 -5.3 60 62 A K H > S+ 0 0 118 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.949 109.9 47.4 -63.5 -47.4 -3.5 27.9 -6.2 61 63 A E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 111.5 51.1 -54.6 -48.9 -6.7 25.9 -6.9 62 64 A D H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.904 111.4 46.7 -59.3 -43.7 -6.3 23.9 -3.7 63 65 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.925 108.1 56.2 -66.0 -44.8 -6.0 27.1 -1.6 64 66 A E H X S+ 0 0 79 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.863 106.3 52.7 -52.0 -36.3 -9.0 28.6 -3.5 65 67 A I H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 108.4 48.2 -61.8 -47.1 -10.9 25.5 -2.3 66 68 A I H X>S+ 0 0 1 -4,-1.8 5,-1.7 2,-0.2 4,-0.5 0.934 115.2 46.3 -57.1 -48.3 -9.8 26.3 1.3 67 69 A E H ><5S+ 0 0 84 -4,-3.0 3,-1.7 2,-0.2 -2,-0.2 0.947 110.8 51.0 -56.8 -53.4 -10.9 29.9 0.8 68 70 A K H 3<5S+ 0 0 182 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 109.8 51.5 -55.7 -38.2 -14.3 28.8 -0.8 69 71 A L H 3<5S- 0 0 7 -4,-2.2 -1,-0.3 -5,-0.2 365,-0.2 0.621 109.5-127.4 -75.1 -12.8 -14.9 26.6 2.2 70 72 A G T <<5 + 0 0 41 -3,-1.7 -3,-0.2 -4,-0.5 2,-0.2 0.664 47.8 165.4 75.1 14.9 -14.2 29.5 4.6 71 73 A V < - 0 0 4 -5,-1.7 -1,-0.2 -6,-0.2 -60,-0.2 -0.455 28.1-152.0 -68.1 136.4 -11.6 27.4 6.5 72 74 A K + 0 0 84 -62,-1.3 40,-3.0 -2,-0.2 2,-0.3 0.682 67.5 33.2 -92.2 -19.2 -9.6 29.7 8.6 73 75 A A E -cd 11 112B 0 -63,-1.6 -61,-1.4 38,-0.3 2,-0.5 -0.991 57.5-156.6-141.7 144.2 -6.2 27.9 8.9 74 76 A Y E -cd 12 113B 2 38,-2.3 40,-2.7 -2,-0.3 2,-0.6 -0.977 6.4-161.0-124.4 118.9 -4.1 25.7 6.7 75 77 A R E +cd 13 114B 0 -63,-2.8 -61,-2.3 -2,-0.5 2,-0.3 -0.875 28.0 154.4 -97.1 121.3 -1.5 23.3 8.2 76 78 A F E - d 0 115B 4 38,-2.2 40,-3.1 -2,-0.6 2,-0.3 -0.924 32.1-127.0-141.9 162.3 1.0 22.3 5.7 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.805 12.3-129.4-114.9 160.0 4.6 21.0 5.7 78 80 A I - 0 0 0 38,-1.8 2,-0.8 -2,-0.3 41,-0.4 -0.891 22.8-125.1-104.7 132.5 7.7 22.1 3.9 79 81 A S >> - 0 0 10 -2,-0.4 3,-1.4 1,-0.2 4,-1.0 -0.700 17.1-152.0 -76.2 107.4 9.9 19.5 2.1 80 82 A W H >> S+ 0 0 1 -2,-0.8 4,-2.9 41,-0.3 3,-1.1 0.900 92.6 53.6 -47.5 -50.2 13.4 19.9 3.6 81 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.4 0, 0.0 -1,-0.3 0.673 101.0 59.6 -70.0 -11.8 15.2 18.7 0.4 82 84 A R H <4 S+ 0 0 7 -3,-1.4 13,-0.4 -54,-0.3 14,-0.2 0.812 115.3 36.9 -71.7 -27.5 13.3 21.3 -1.7 83 85 A I H << S+ 0 0 0 -3,-1.1 9,-3.0 -4,-1.0 13,-0.2 0.912 136.5 16.9 -92.3 -48.5 14.9 24.0 0.5 84 86 A L S >< S- 0 0 0 -4,-2.9 3,-2.4 7,-0.2 -1,-0.3 -0.892 71.3-166.4-127.0 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 39,-0.1 0.783 92.1 38.3 -53.8 -31.7 18.9 19.7 -1.5 86 88 A E T 3 S- 0 0 104 4,-0.3 2,-0.8 2,-0.3 5,-0.1 0.196 117.7-112.2-100.4 11.4 21.9 18.1 0.3 87 89 A G S < S+ 0 0 0 -3,-2.4 2,-0.3 3,-0.2 57,-0.1 -0.170 93.7 34.2 90.8 -46.5 20.2 18.7 3.7 88 90 A T S S+ 0 0 33 -2,-0.8 2,-0.8 55,-0.1 -2,-0.3 -0.912 107.2 22.1-129.3 167.3 22.7 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 -0.717 96.7 65.3 86.3-112.1 24.7 24.1 3.0 90 92 A R - 0 0 130 -2,-0.8 2,-0.5 1,-0.1 -4,-0.3 -0.225 65.6-150.7 -59.1 130.3 23.2 25.1 -0.3 91 93 A V - 0 0 60 -7,-0.2 2,-0.7 -6,-0.1 -7,-0.2 -0.900 9.2-140.3-101.7 130.0 19.8 26.8 -0.2 92 94 A N >> - 0 0 18 -9,-3.0 4,-1.8 -2,-0.5 3,-1.0 -0.822 7.8-162.7 -94.1 106.8 17.5 26.4 -3.3 93 95 A Q H 3> S+ 0 0 102 -2,-0.7 4,-2.9 1,-0.3 -1,-0.2 0.853 89.2 58.5 -63.4 -32.6 15.7 29.6 -4.1 94 96 A K H 3> S+ 0 0 116 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.801 104.4 51.4 -67.5 -27.1 13.1 27.8 -6.3 95 97 A G H <> S+ 0 0 2 -3,-1.0 4,-1.5 -13,-0.4 -1,-0.2 0.902 111.6 46.2 -72.4 -44.4 12.1 25.7 -3.3 96 98 A L H X S+ 0 0 2 -4,-1.8 4,-2.9 -14,-0.2 -2,-0.2 0.914 109.0 56.7 -61.5 -43.0 11.7 28.8 -1.2 97 99 A D H X S+ 0 0 59 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.896 102.6 56.0 -53.9 -46.9 9.7 30.5 -4.1 98 100 A F H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.916 115.2 35.9 -53.9 -50.5 7.2 27.5 -4.1 99 101 A Y H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.840 111.0 62.0 -76.8 -30.7 6.3 28.0 -0.4 100 102 A N H X S+ 0 0 27 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.940 105.1 48.2 -56.4 -48.3 6.6 31.8 -0.6 101 103 A R H X S+ 0 0 103 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.880 112.9 48.0 -57.5 -43.1 3.7 31.8 -3.2 102 104 A I H X S+ 0 0 2 -4,-1.3 4,-2.4 -5,-0.2 -2,-0.2 0.938 113.6 47.3 -61.9 -48.7 1.6 29.5 -1.0 103 105 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.946 114.0 46.1 -60.8 -48.1 2.2 31.6 2.2 104 106 A D H X S+ 0 0 60 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.888 112.7 51.1 -64.9 -39.9 1.5 35.0 0.4 105 107 A T H X S+ 0 0 17 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.882 109.5 49.0 -62.0 -47.1 -1.7 33.6 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 -2,-0.2 0.936 113.4 47.4 -57.2 -50.9 -3.0 32.3 2.2 107 109 A L H ><5S+ 0 0 65 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.917 109.5 52.6 -58.7 -47.3 -2.4 35.6 3.8 108 110 A E H 3<5S+ 0 0 158 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 112.6 47.4 -53.2 -36.1 -4.0 37.6 1.0 109 111 A K T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.322 118.3-110.7 -93.4 6.7 -7.0 35.3 1.4 110 112 A G T < 5S+ 0 0 62 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.744 71.4 138.0 73.1 26.0 -7.2 35.7 5.2 111 113 A I < - 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