==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-08 2ZXD . COMPND 2 MOLECULE: ALPHA-L-FUCOSIDASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.-J.WU,T.-P.KO,C.-W.HO,C.-H.LIN,A.H.-J.WANG . 882 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 9.4 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 67 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 6 0 5 0 0 2 2 2 2 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 3 2 3 2 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 . 8 2 4 6 0 1 1 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 . 0 2 2 0 4 2 0 0 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 7 A R 0 0 236 0, 0.0 2,-0.2 0, 0.0 237,-0.1 0.000 360.0 360.0 360.0 142.7 25.7 9.5 33.8 2 8 A Y - 0 0 50 232,-0.3 7,-0.1 231,-0.1 236,-0.1 -0.532 360.0-141.0 -78.2 149.6 22.1 10.3 34.7 3 9 A K - 0 0 122 2,-0.2 2,-2.1 -2,-0.2 6,-0.1 -0.800 23.3-103.2-110.8 155.4 20.0 7.3 35.6 4 10 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 227,-0.2 -0.380 87.5 89.7 -77.5 62.8 16.3 6.7 34.8 5 11 A D S > S- 0 0 50 -2,-2.1 4,-2.5 225,-0.2 3,-0.5 -0.974 80.7-118.0-151.9 149.5 14.8 7.5 38.2 6 12 A W H > S+ 0 0 31 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.835 111.5 57.9 -57.9 -32.9 13.5 10.8 39.7 7 13 A E H 4 S+ 0 0 44 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.887 112.9 39.2 -66.1 -42.0 16.0 10.7 42.5 8 14 A S H >4 S+ 0 0 4 -3,-0.5 3,-1.7 1,-0.2 4,-0.3 0.847 110.9 57.9 -75.9 -38.9 19.0 10.6 40.1 9 15 A L H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.804 91.7 71.9 -64.1 -25.2 17.4 13.1 37.6 10 16 A R T 3< S+ 0 0 18 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.721 82.5 72.9 -62.4 -21.1 17.2 15.6 40.5 11 17 A E T < S+ 0 0 32 -3,-1.7 2,-0.7 -4,-0.2 -1,-0.3 0.761 80.3 84.3 -65.5 -22.4 21.0 15.9 40.1 12 18 A H < - 0 0 2 -3,-2.1 2,-0.2 -4,-0.3 242,-0.2 -0.710 65.0-176.4 -85.1 117.5 20.4 17.8 36.8 13 19 A T - 0 0 66 -2,-0.7 242,-0.1 700,-0.2 3,-0.1 -0.683 42.0 -67.3-108.6 167.4 19.8 21.4 37.6 14 20 A V - 0 0 34 241,-0.4 -1,-0.1 -2,-0.2 230,-0.1 -0.246 62.0-109.7 -51.7 128.5 18.9 24.3 35.3 15 21 A P >> - 0 0 5 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.344 19.4-122.3 -63.6 145.8 21.9 24.9 32.9 16 22 A K H 3> S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.840 108.5 61.8 -60.3 -35.9 23.8 28.1 33.6 17 23 A W H 3> S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 105.7 46.3 -62.0 -35.5 23.2 29.4 30.0 18 24 A F H <> S+ 0 0 0 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.920 109.5 54.6 -71.7 -40.7 19.4 29.4 30.5 19 25 A D H < S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.8 37.5 -58.2 -37.5 19.7 31.1 33.8 20 26 A K H < S+ 0 0 105 -4,-1.9 331,-2.0 1,-0.2 332,-0.2 0.634 98.8 77.4 -89.4 -21.0 21.8 33.9 32.1 21 27 A A H < + 0 0 7 -4,-1.6 2,-1.6 -5,-0.2 -2,-0.2 0.860 62.6 178.4 -60.0 -39.7 19.9 34.1 28.8 22 28 A K < + 0 0 4 -4,-0.9 293,-3.0 -3,-0.1 2,-0.4 0.034 57.4 54.5 62.9 -29.4 16.9 36.1 30.3 23 29 A F E +a 315 0A 0 -2,-1.6 91,-3.1 291,-0.2 92,-0.6 -0.968 57.4 165.5-146.4 127.4 15.0 36.4 27.1 24 30 A G E -ab 316 115A 0 291,-2.8 293,-2.5 -2,-0.4 2,-0.5 -0.890 30.1-122.1-134.2 163.9 13.8 34.0 24.5 25 31 A I E -ab 317 116A 0 90,-2.6 92,-3.0 -2,-0.3 2,-0.3 -0.938 17.8-159.0-113.6 127.0 11.4 34.0 21.5 26 32 A F E -ab 318 117A 4 291,-2.6 293,-2.4 -2,-0.5 2,-0.4 -0.730 8.0-160.0 -94.4 148.2 8.5 31.6 21.3 27 33 A I E -ab 319 118A 0 90,-2.3 92,-2.3 -2,-0.3 2,-0.9 -0.894 10.4-170.3-134.4 108.4 7.0 30.9 17.9 28 34 A H + 0 0 7 291,-1.8 258,-0.4 256,-0.4 2,-0.4 -0.863 30.4 151.6 -94.4 112.8 3.5 29.5 17.4 29 35 A W + 0 0 6 -2,-0.9 2,-0.3 90,-0.2 99,-0.1 -1.000 8.2 109.2-143.1 136.4 3.4 28.6 13.7 30 36 A G S > S- 0 0 2 -2,-0.4 3,-1.7 291,-0.3 4,-0.3 -0.956 79.4 -53.4-178.3-162.5 1.4 26.0 11.9 31 37 A I G > S+ 0 0 0 1,-0.3 3,-1.5 -2,-0.3 5,-0.2 0.776 124.7 66.5 -70.9 -24.8 -1.5 25.4 9.5 32 38 A Y G 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 5,-0.3 0.661 86.5 71.9 -65.9 -16.5 -3.8 27.4 11.8 33 39 A S G <4 S+ 0 0 0 -3,-1.7 290,-0.9 2,-0.2 -1,-0.3 0.777 86.1 66.7 -70.9 -22.2 -1.6 30.3 10.8 34 40 A V T <4 S+ 0 0 24 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.978 111.5 29.7 -64.6 -58.0 -3.2 30.3 7.2 35 41 A P T 4 S- 0 0 0 0, 0.0 253,-0.2 0, 0.0 -1,-0.2 0.928 90.3-176.5 -68.9 -32.7 -6.7 31.3 8.3 36 42 A G < + 0 0 0 -4,-1.8 252,-2.9 -5,-0.2 2,-0.4 0.895 28.5 137.1 40.9 63.0 -5.0 33.2 11.1 37 43 A W + 0 0 31 -5,-0.3 2,-0.3 22,-0.3 -1,-0.2 -0.992 18.1 142.0-146.1 135.3 -8.2 34.3 12.7 38 44 A A - 0 0 1 -2,-0.4 251,-0.2 19,-0.1 21,-0.1 -0.972 53.4-100.2-158.1 158.9 -9.8 34.6 16.2 39 45 A T - 0 0 23 17,-0.6 2,-2.8 -2,-0.3 3,-0.2 -0.799 37.8-132.5 -83.4 116.3 -12.1 37.0 18.0 40 46 A P + 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.330 46.5 157.8 -70.4 66.7 -9.6 39.1 20.1 41 47 A T - 0 0 65 -2,-2.8 2,-0.3 14,-0.3 15,-0.1 0.844 47.7 -81.4 -61.7 -46.1 -11.7 38.8 23.3 42 48 A G - 0 0 11 -3,-0.2 2,-0.2 240,-0.1 -1,-0.2 -0.981 54.4 -42.7 163.9-174.4 -9.2 39.4 26.1 43 49 A E >> - 0 0 70 -2,-0.3 3,-1.8 1,-0.1 4,-1.0 -0.546 61.5-101.2 -82.4 148.5 -6.4 38.2 28.4 44 50 A L T 34 S+ 0 0 37 1,-0.3 218,-0.2 2,-0.2 -1,-0.1 -0.448 114.3 31.7 -66.1 141.9 -6.6 34.7 30.0 45 51 A G T 34 S+ 0 0 63 2,-0.4 -1,-0.3 -2,-0.1 -2,-0.0 0.317 115.7 65.3 89.2 -8.8 -7.7 35.1 33.6 46 52 A K T <4 S+ 0 0 161 -3,-1.8 -2,-0.2 2,-0.1 -3,-0.0 0.549 88.4 73.4-115.8 -20.5 -9.7 38.2 32.5 47 53 A V S < S- 0 0 16 -4,-1.0 -2,-0.4 -5,-0.1 2,-0.2 -0.816 91.9-107.4-100.4 134.8 -12.2 36.3 30.3 48 54 A P >> - 0 0 76 0, 0.0 4,-2.0 0, 0.0 3,-1.9 -0.393 22.7-140.4 -61.8 126.9 -15.0 34.2 31.8 49 55 A M T 34 S+ 0 0 70 1,-0.3 4,-0.5 2,-0.2 -2,-0.0 0.571 97.0 69.6 -67.8 -7.4 -14.2 30.5 31.3 50 56 A D T 34 S+ 0 0 107 1,-0.1 -1,-0.3 2,-0.1 4,-0.0 0.557 115.6 26.6 -83.7 -12.8 -17.8 29.6 30.5 51 57 A A T X> S+ 0 0 33 -3,-1.9 3,-1.6 2,-0.1 4,-1.5 0.610 97.3 94.4-118.1 -25.0 -17.4 31.6 27.3 52 58 A W G >< S+ 0 0 6 -4,-2.0 3,-0.7 1,-0.3 -3,-0.1 0.821 88.8 42.8 -37.3 -55.4 -13.7 31.3 26.7 53 59 A F G >4 S+ 0 0 7 -4,-0.5 3,-0.5 127,-0.5 -1,-0.3 0.761 113.1 54.3 -72.5 -18.5 -13.8 28.3 24.3 54 60 A F G <4 S+ 0 0 54 -3,-1.6 19,-0.3 1,-0.2 -1,-0.2 0.661 124.2 24.5 -83.3 -23.7 -16.8 29.7 22.5 55 61 A Q G << S- 0 0 85 -4,-1.5 -14,-0.3 -3,-0.7 -1,-0.2 -0.464 89.1-176.2-137.6 56.6 -15.0 33.0 21.7 56 62 A N < - 0 0 2 -3,-0.5 -17,-0.6 1,-0.2 -3,-0.1 -0.386 21.0-159.0 -63.2 118.5 -11.4 31.8 21.9 57 63 A P + 0 0 0 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.615 69.5 94.2 -74.9 -5.1 -8.9 34.6 21.5 58 64 A Y > - 0 0 31 1,-0.2 3,-2.0 225,-0.2 225,-0.1 -0.758 58.7-164.2 -92.1 106.6 -6.2 32.1 20.6 59 65 A A G > S+ 0 0 0 -2,-0.8 3,-1.5 226,-0.5 -22,-0.3 0.759 87.2 67.0 -59.4 -26.6 -6.0 31.7 16.8 60 66 A E G 3 S+ 0 0 3 1,-0.3 3,-0.4 225,-0.2 -1,-0.3 0.650 91.1 63.2 -71.8 -10.7 -4.0 28.5 17.2 61 67 A W G <> + 0 0 16 -3,-2.0 4,-2.4 1,-0.2 3,-0.4 0.216 68.2 121.5 -93.3 14.3 -7.1 26.9 18.7 62 68 A Y H <> + 0 0 1 -3,-1.5 4,-3.5 1,-0.2 5,-0.2 0.878 69.4 52.4 -42.7 -51.1 -8.9 27.4 15.3 63 69 A E H > S+ 0 0 3 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.910 110.4 45.6 -56.7 -48.9 -9.7 23.7 14.8 64 70 A N H > S+ 0 0 0 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.911 115.6 47.8 -59.8 -45.3 -11.3 23.3 18.3 65 71 A S H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 9,-0.4 0.927 108.7 54.5 -62.0 -44.8 -13.3 26.5 17.7 66 72 A L H 3< S+ 0 0 22 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.848 102.8 57.7 -57.0 -32.5 -14.3 25.2 14.2 67 73 A R H 3< S+ 0 0 48 -4,-1.8 2,-1.0 -5,-0.2 -1,-0.3 0.650 91.1 77.2 -74.5 -13.8 -15.6 22.0 15.8 68 74 A I S X< S- 0 0 7 -3,-1.6 3,-1.1 -4,-0.5 6,-0.5 -0.836 86.6-142.6 -94.8 102.3 -18.0 24.1 18.0 69 75 A K T 3 S+ 0 0 152 -2,-1.0 -2,-0.1 1,-0.3 4,-0.0 -0.310 82.9 26.2 -65.3 145.3 -20.7 25.0 15.4 70 76 A E T 3 S+ 0 0 134 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.794 88.4 131.4 72.0 19.3 -22.2 28.5 15.7 71 77 A S S <> S- 0 0 2 -3,-1.1 4,-2.0 -6,-0.2 -1,-0.3 -0.697 77.5-109.2 -91.5 161.0 -18.9 29.7 17.3 72 78 A P H > S+ 0 0 34 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.893 121.9 57.4 -57.5 -35.8 -17.8 32.9 15.6 73 79 A T H > S+ 0 0 6 -19,-0.3 4,-2.7 2,-0.2 5,-0.2 0.920 104.6 49.7 -60.4 -43.9 -14.9 30.7 14.1 74 80 A W H > S+ 0 0 50 -6,-0.5 4,-2.6 -9,-0.4 5,-0.2 0.924 112.2 47.7 -60.6 -45.6 -17.4 28.3 12.5 75 81 A E H X S+ 0 0 99 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.937 114.6 46.3 -60.7 -48.6 -19.4 31.2 10.9 76 82 A Y H X S+ 0 0 50 -4,-2.7 4,-1.9 -5,-0.2 5,-0.3 0.897 113.2 50.2 -61.2 -40.6 -16.2 32.9 9.6 77 83 A H H X>S+ 0 0 4 -4,-2.7 4,-3.3 -5,-0.2 5,-1.8 0.945 109.6 48.2 -66.9 -47.7 -14.9 29.5 8.3 78 84 A V H <5S+ 0 0 41 -4,-2.6 5,-0.3 1,-0.2 4,-0.2 0.928 116.1 44.5 -57.8 -44.1 -18.0 28.6 6.4 79 85 A K H <5S+ 0 0 188 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.789 123.3 35.5 -72.3 -29.6 -18.2 32.1 4.8 80 86 A T H <5S+ 0 0 62 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.867 137.8 8.5 -94.2 -42.5 -14.6 32.3 3.9 81 87 A Y T <5S- 0 0 66 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.652 106.9-108.5-115.0 -24.5 -13.5 28.7 3.0 82 88 A G > < - 0 0 23 -5,-1.8 3,-2.0 -4,-0.2 -3,-0.1 0.046 24.0 -87.1 106.7 148.3 -16.7 26.8 2.8 83 89 A E T 3 S+ 0 0 136 -5,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.738 124.2 54.7 -56.5 -29.0 -18.6 24.2 4.8 84 90 A N T 3 S+ 0 0 148 -6,-0.1 2,-1.0 -3,-0.1 -1,-0.3 0.404 80.0 102.3 -90.4 5.1 -16.8 21.5 2.9 85 91 A F < - 0 0 24 -3,-2.0 2,-0.2 -8,-0.1 -3,-0.1 -0.764 64.1-152.7 -92.3 102.4 -13.4 22.7 3.7 86 92 A E > - 0 0 99 -2,-1.0 3,-2.3 1,-0.1 4,-0.4 -0.517 23.3-116.2 -74.4 140.3 -12.1 20.4 6.5 87 93 A Y G > S+ 0 0 6 1,-0.3 3,-2.1 -2,-0.2 4,-0.2 0.824 112.7 62.7 -42.3 -41.9 -9.5 21.9 8.8 88 94 A E G > S+ 0 0 54 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.768 86.5 73.8 -61.0 -25.8 -6.8 19.4 7.7 89 95 A K G X> S+ 0 0 85 -3,-2.3 3,-1.8 1,-0.3 4,-0.8 0.747 77.7 77.2 -63.2 -21.2 -7.0 20.9 4.2 90 96 A F H X> S+ 0 0 0 -3,-2.1 4,-1.4 -4,-0.4 3,-0.6 0.805 79.2 71.2 -59.5 -22.8 -5.2 23.9 5.6 91 97 A A H <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.823 96.2 51.1 -64.3 -25.8 -2.0 21.7 5.5 92 98 A D H <4 S+ 0 0 78 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.740 112.1 46.5 -81.4 -20.0 -2.2 22.0 1.6 93 99 A L H << S+ 0 0 81 -4,-0.8 2,-1.7 -3,-0.6 3,-0.2 0.596 87.8 92.7 -93.5 -13.4 -2.5 25.8 1.9 94 100 A F < + 0 0 0 -4,-1.4 -1,-0.1 1,-0.2 230,-0.1 -0.612 46.5 146.7 -80.1 86.1 0.4 26.2 4.4 95 101 A T - 0 0 49 -2,-1.7 -1,-0.2 47,-0.2 229,-0.1 0.693 42.7-150.5-100.9 -18.2 3.1 26.8 1.9 96 102 A A > + 0 0 8 227,-1.4 3,-1.6 -3,-0.2 228,-0.2 0.865 32.8 163.8 50.5 40.2 5.5 29.1 3.7 97 103 A E T 3 S+ 0 0 164 1,-0.3 228,-0.1 226,-0.1 -1,-0.1 0.770 72.4 41.5 -62.4 -27.6 6.4 30.5 0.2 98 104 A K T 3 S+ 0 0 139 226,-2.0 2,-0.3 2,-0.0 -1,-0.3 0.197 85.9 132.0-105.5 14.9 8.1 33.6 1.7 99 105 A W < + 0 0 14 -3,-1.6 227,-0.1 225,-0.2 226,-0.1 -0.530 25.4 172.2 -72.5 128.0 9.9 31.9 4.6 100 106 A D >> - 0 0 57 225,-0.5 4,-1.9 -2,-0.3 3,-0.5 -0.885 13.6-167.4-133.1 99.2 13.6 32.7 5.1 101 107 A P H 3> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.812 88.2 57.5 -59.9 -29.3 14.8 31.1 8.3 102 108 A Q H 3> S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 105.5 51.2 -67.4 -38.7 18.0 33.1 8.3 103 109 A E H <> S+ 0 0 120 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.910 110.4 48.5 -62.7 -44.0 16.0 36.3 8.2 104 110 A W H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.950 112.4 48.6 -59.5 -48.3 13.9 35.1 11.3 105 111 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.893 111.6 49.0 -60.3 -43.6 17.1 34.2 13.2 106 112 A D H X S+ 0 0 71 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.895 111.3 49.6 -65.4 -38.0 18.7 37.5 12.4 107 113 A L H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.925 111.8 48.6 -64.9 -41.3 15.6 39.3 13.5 108 114 A F H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-0.3 0.896 112.9 48.1 -64.4 -40.6 15.5 37.3 16.8 109 115 A K H ><5S+ 0 0 106 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.940 112.2 48.0 -64.5 -47.6 19.1 38.0 17.4 110 116 A K H 3<5S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.837 104.2 62.8 -63.2 -29.1 18.7 41.7 16.7 111 117 A A T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.648 120.9-110.2 -69.5 -11.8 15.7 41.6 19.0 112 118 A G T < 5 + 0 0 7 -3,-1.8 -3,-0.2 -4,-0.3 -89,-0.1 0.486 67.2 148.7 97.3 2.2 18.1 40.6 21.8 113 119 A A < - 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