==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-OCT-07 2RGL . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR W.CHUENCHOR,J.R.KETUDAT CAIRNS,S.PENGTHAISONG,R.C.ROBINSON, . 942 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 54 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 3.1 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 2 2 6 0 4 2 0 0 2 4 0 4 0 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 8 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 PARALLEL BRIDGES PER LADDER . 4 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 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 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 6 A W 0 0 140 0, 0.0 405,-0.1 0, 0.0 463,-0.0 0.000 360.0 360.0 360.0 -97.5 7.4 27.4 33.6 2 7 A L > - 0 0 45 1,-0.0 3,-1.4 2,-0.0 462,-0.0 0.764 360.0-149.6 -78.2 -25.4 11.0 26.1 33.9 3 8 A G T 3 S- 0 0 57 1,-0.3 3,-0.1 2,-0.0 -1,-0.0 0.889 72.8 -50.5 58.3 41.5 11.6 27.3 37.5 4 9 A G T 3 S+ 0 0 69 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.468 105.5 137.8 79.1 2.7 15.3 27.8 36.9 5 10 A L < + 0 0 5 -3,-1.4 2,-0.3 3,-0.1 -1,-0.3 -0.619 13.6 125.4 -87.7 141.7 15.7 24.3 35.4 6 11 A S S > S- 0 0 42 -2,-0.3 3,-1.4 -3,-0.1 4,-0.2 -0.923 75.8 -79.6-171.0 177.3 17.8 23.5 32.3 7 12 A R G > S+ 0 0 49 461,-0.7 3,-1.4 463,-0.3 7,-0.2 0.817 127.4 62.6 -61.3 -29.9 20.6 21.2 31.3 8 13 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.699 95.0 61.8 -66.5 -22.2 23.0 23.7 33.1 9 14 A A G < S+ 0 0 16 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.485 102.8 58.3 -84.3 -4.4 21.2 22.9 36.4 10 15 A F S < S- 0 0 12 -3,-1.4 3,-0.1 -4,-0.2 4,-0.1 -0.833 102.1 -76.7-120.8 161.1 22.2 19.3 36.2 11 16 A P > - 0 0 38 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.057 60.0 -84.9 -55.5 157.9 25.6 17.6 36.1 12 17 A K T 3 S+ 0 0 180 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.404 116.7 13.0 -61.0 137.1 27.6 17.6 32.8 13 18 A R T 3 S+ 0 0 222 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.561 85.5 161.8 67.7 9.8 26.6 14.6 30.6 14 19 A F < - 0 0 11 -3,-1.8 2,-0.5 -7,-0.2 -1,-0.2 -0.425 37.9-125.9 -58.2 132.6 23.5 14.0 32.8 15 20 A V E -a 424 0A 26 408,-2.2 410,-2.7 -3,-0.1 2,-0.5 -0.746 24.9-170.5 -94.0 126.1 21.2 11.8 30.7 16 21 A F E +a 425 0A 2 -2,-0.5 62,-3.2 408,-0.2 63,-1.4 -0.962 22.7 144.4-112.4 127.4 17.5 12.8 30.0 17 22 A G E -ab 426 79A 0 408,-2.6 410,-2.3 -2,-0.5 2,-0.3 -0.846 40.1-116.5-143.6-176.8 15.1 10.4 28.4 18 23 A T E -ab 427 80A 0 61,-1.2 63,-2.9 408,-0.3 2,-0.4 -0.852 27.5-140.0-120.9 166.3 11.6 8.9 28.1 19 24 A V E +ab 428 81A 0 408,-2.0 411,-1.6 -2,-0.3 410,-0.6 -0.949 24.2 159.4-131.4 143.5 10.3 5.4 28.8 20 25 A T - 0 0 2 61,-1.9 2,-0.3 -2,-0.4 3,-0.1 -0.859 26.7-135.1-137.6 176.1 7.9 2.8 27.4 21 26 A S > - 0 0 0 -2,-0.3 4,-1.4 61,-0.2 5,-0.4 -0.951 25.7-112.5-129.6 158.1 7.6 -0.9 27.8 22 27 A A H >> S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.2 3,-0.8 0.929 112.5 39.6 -53.6 -61.0 7.0 -3.5 25.0 23 28 A Y H 34 S+ 0 0 7 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.845 114.0 56.3 -61.2 -33.7 3.5 -4.7 25.9 24 29 A Q H 34 S+ 0 0 1 1,-0.1 410,-2.2 2,-0.1 -1,-0.2 0.752 127.8 8.7 -73.9 -25.1 2.4 -1.3 26.8 25 30 A V H << S+ 0 0 1 -4,-1.4 36,-2.2 -3,-0.8 34,-0.7 0.680 109.0 74.3-124.0 -32.1 3.3 0.4 23.5 26 31 A E < - 0 0 6 -4,-2.8 36,-2.0 -5,-0.4 37,-0.3 0.875 61.3-174.3 -59.4 -47.3 4.3 -2.0 20.7 27 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.458 51.7 101.4 67.9-156.1 1.0 -3.7 19.6 28 33 A M > + 0 0 9 28,-0.7 3,-1.3 -2,-0.1 6,-0.3 0.877 46.4 160.8 44.6 44.2 1.4 -6.5 17.1 29 34 A A T 3 S+ 0 0 3 27,-1.4 -1,-0.1 1,-0.3 27,-0.1 0.799 75.9 25.0 -65.7 -32.1 0.9 -8.8 20.1 30 35 A A T 3 S+ 0 0 88 26,-0.2 -1,-0.3 6,-0.1 2,-0.3 -0.161 117.0 75.5-124.0 33.1 -0.0 -11.8 18.0 31 36 A S S X S+ 0 0 17 -3,-1.3 3,-1.8 1,-0.1 472,-0.1 -0.852 72.2 43.5-136.1 172.9 1.7 -10.7 14.8 32 37 A G T 3 S- 0 0 5 1,-0.3 69,-0.2 -2,-0.3 72,-0.1 0.753 129.5 -63.4 62.2 24.6 5.3 -10.6 13.4 33 38 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.330 91.5 154.3 84.0 -7.1 5.9 -14.0 14.9 34 39 A R < - 0 0 13 -3,-1.8 54,-0.3 -6,-0.3 -1,-0.2 -0.269 33.3-145.2 -59.6 133.6 5.4 -12.9 18.5 35 40 A G - 0 0 6 52,-2.6 52,-0.1 1,-0.1 -4,-0.1 -0.613 32.3 -86.3 -90.3 159.8 4.3 -15.6 20.9 36 41 A P - 0 0 66 0, 0.0 94,-2.6 0, 0.0 95,-0.5 -0.344 35.4-152.4 -67.3 145.5 2.0 -14.8 23.9 37 42 A S B >> -I 129 0B 0 92,-0.3 4,-1.4 93,-0.2 3,-0.5 -0.599 38.6 -96.9 -99.8 172.0 3.2 -13.6 27.2 38 43 A I H 3> S+ 0 0 17 90,-2.5 4,-2.0 1,-0.2 89,-0.1 0.772 126.1 57.7 -58.2 -26.9 1.4 -14.1 30.6 39 44 A W H 3> S+ 0 0 3 89,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.816 98.7 57.3 -77.3 -30.7 -0.1 -10.6 30.1 40 45 A D H <> S+ 0 0 13 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.932 112.1 42.1 -57.7 -49.1 -1.7 -11.6 26.7 41 46 A A H < S+ 0 0 41 -4,-1.4 4,-0.4 2,-0.2 -2,-0.2 0.916 117.2 47.6 -66.1 -44.9 -3.6 -14.4 28.4 42 47 A F H >< S+ 0 0 13 -4,-2.0 3,-1.2 1,-0.2 6,-0.2 0.930 112.5 47.7 -59.7 -49.5 -4.4 -12.3 31.5 43 48 A A H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.752 107.6 56.8 -68.0 -26.7 -5.7 -9.3 29.4 44 49 A H T 3< S+ 0 0 96 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.469 83.9 96.9 -85.0 -4.3 -7.8 -11.5 27.1 45 50 A T S X S- 0 0 69 -3,-1.2 3,-2.2 -4,-0.4 4,-0.4 -0.791 88.6-110.4 -86.7 118.8 -9.8 -12.9 30.1 46 51 A P T 3 S+ 0 0 102 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.158 99.9 18.5 -49.4 136.2 -13.0 -10.9 30.5 47 52 A G T 3 S+ 0 0 63 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.214 96.0 100.3 88.5 -14.4 -13.1 -8.7 33.6 48 53 A N S < S+ 0 0 31 -3,-2.2 2,-0.3 -6,-0.2 -5,-0.1 0.874 85.4 31.7 -71.8 -38.2 -9.3 -8.7 34.2 49 54 A V S > S- 0 0 5 -4,-0.4 3,-2.3 -6,-0.3 -2,-0.3 -0.885 101.7 -82.4-120.9 149.8 -8.6 -5.3 32.6 50 55 A A G > S- 0 0 34 387,-2.5 3,-1.7 -2,-0.3 390,-0.3 -0.252 116.0 -0.8 -46.8 126.6 -10.7 -2.1 32.5 51 56 A G G 3 S- 0 0 62 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.650 118.6 -81.4 63.9 18.1 -13.2 -2.3 29.6 52 57 A N G < S+ 0 0 88 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.777 86.4 159.2 55.4 29.2 -11.8 -5.8 28.7 53 58 A Q < - 0 0 95 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.2 -0.351 17.5-179.4 -81.5 161.7 -9.0 -3.9 26.9 54 59 A N - 0 0 33 -3,-0.1 4,-0.5 -2,-0.1 3,-0.4 -0.870 41.4 -98.5-148.9 178.2 -5.6 -5.5 26.0 55 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.059 76.7 119.5 -96.2 25.2 -2.3 -4.6 24.4 56 61 A D S S+ 0 0 56 1,-0.1 -27,-1.4 -28,-0.1 -28,-0.7 0.912 100.7 0.5 -52.4 -48.7 -3.1 -6.2 21.0 57 62 A V S > S+ 0 0 51 -3,-0.4 3,-2.4 -30,-0.3 4,-0.2 0.737 86.5 160.2-109.3 -41.4 -2.7 -2.8 19.2 58 63 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.313 82.2 -26.8 51.7-128.6 -1.7 -0.5 22.1 59 64 A T T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.1 -33,-0.1 0.455 81.6-127.2 -91.7 -0.5 -0.0 2.5 20.5 60 65 A D X> + 0 0 0 -3,-2.4 4,-1.4 -35,-0.3 3,-1.4 0.851 52.7 156.6 54.5 37.9 1.1 0.5 17.5 61 66 A Q H 3> + 0 0 4 -36,-2.2 4,-1.6 1,-0.3 -35,-0.2 0.860 61.5 76.3 -60.0 -30.1 4.7 1.7 18.0 62 67 A Y H 34 S+ 0 0 21 -36,-2.0 -1,-0.3 1,-0.3 -35,-0.1 0.836 109.2 26.3 -46.3 -40.7 5.7 -1.5 16.1 63 68 A H H <4 S+ 0 0 21 -3,-1.4 -1,-0.3 -37,-0.3 -2,-0.2 0.667 128.5 44.7 -97.0 -17.5 4.7 0.3 12.9 64 69 A R H >X + 0 0 2 -4,-1.4 4,-1.9 1,-0.1 3,-0.8 0.235 70.0 119.1-112.7 12.5 5.2 3.9 14.0 65 70 A Y H 3X S+ 0 0 29 -4,-1.6 4,-2.8 1,-0.3 5,-0.2 0.800 74.7 54.7 -56.9 -34.3 8.6 3.8 15.8 66 71 A K H 3> S+ 0 0 44 858,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.899 108.6 49.2 -68.3 -37.7 10.3 6.2 13.4 67 72 A E H <> S+ 0 0 19 -3,-0.8 4,-2.0 858,-0.3 -2,-0.2 0.926 112.9 47.3 -57.8 -47.4 7.6 8.8 14.1 68 73 A D H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.897 112.6 48.9 -67.5 -39.7 8.0 8.3 17.8 69 74 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.902 109.8 51.5 -63.8 -43.4 11.8 8.5 17.6 70 75 A N H X S+ 0 0 41 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 110.6 51.2 -57.5 -40.4 11.6 11.7 15.5 71 76 A L H X S+ 0 0 24 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.928 109.0 47.7 -65.4 -47.5 9.3 13.1 18.2 72 77 A M H <>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-0.3 0.885 112.6 50.1 -65.1 -36.2 11.6 12.3 21.1 73 78 A K H ><5S+ 0 0 88 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.926 107.4 53.6 -64.7 -43.8 14.5 13.9 19.2 74 79 A S H 3<5S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 104.8 56.5 -63.5 -19.7 12.5 17.0 18.5 75 80 A L T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.3 394,-0.2 0.302 117.2-114.4 -96.0 7.4 11.8 17.3 22.3 76 81 A N T < 5 + 0 0 39 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.632 59.5 154.6 73.5 19.0 15.5 17.3 23.0 77 82 A F < - 0 0 6 -5,-1.7 -60,-0.2 1,-0.1 -1,-0.2 -0.426 35.1-154.5 -73.2 153.2 15.9 14.0 24.9 78 83 A D S S+ 0 0 29 -62,-3.2 40,-2.8 1,-0.1 2,-0.3 0.624 70.4 21.8 -97.3 -23.1 19.2 12.2 24.9 79 84 A A E -bc 17 118A 0 -63,-1.4 -61,-1.2 38,-0.3 2,-0.4 -0.935 56.5-143.8-151.1 161.2 18.0 8.7 25.5 80 85 A Y E -bc 18 119A 0 38,-2.7 40,-2.6 -2,-0.3 2,-0.6 -0.981 9.9-155.6-137.5 119.2 15.1 6.2 25.2 81 86 A R E +bc 19 120A 0 -63,-2.9 -61,-1.9 -2,-0.4 2,-0.3 -0.881 32.5 151.2 -93.5 118.9 14.4 3.5 27.7 82 87 A F E - c 0 121A 4 38,-2.0 40,-2.5 -2,-0.6 2,-0.3 -0.917 34.4-123.1-138.5 166.4 12.4 0.7 26.0 83 88 A S E - c 0 122A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.826 10.6-129.5-115.1 152.6 12.1 -3.1 26.6 84 89 A I - 0 0 0 38,-2.8 2,-0.7 -2,-0.3 41,-0.2 -0.884 27.1-127.5 -92.8 128.2 12.6 -6.1 24.4 85 90 A S >> - 0 0 0 -2,-0.5 4,-1.3 1,-0.2 3,-1.0 -0.696 12.1-152.0 -77.2 113.9 9.6 -8.6 24.5 86 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.2 1,-0.3 3,-0.6 0.910 95.6 49.2 -51.6 -49.7 11.0 -12.0 25.4 87 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.6 1,-0.2 -1,-0.3 0.605 103.0 60.8 -75.4 -10.2 8.3 -13.8 23.5 88 93 A R H <4 S+ 0 0 1 -3,-1.0 13,-0.4 -54,-0.3 -1,-0.2 0.807 116.4 33.6 -77.8 -31.0 8.8 -11.6 20.3 89 94 A I H << S+ 0 0 0 -4,-1.3 9,-3.2 -3,-0.6 -2,-0.2 0.902 138.0 20.8 -82.9 -52.2 12.4 -13.0 20.2 90 95 A F S >< S- 0 0 19 -4,-3.2 3,-2.4 7,-0.2 -1,-0.3 -0.884 70.1-166.3-119.6 94.5 11.6 -16.5 21.5 91 96 A P T 3 S+ 0 0 8 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.777 95.7 36.6 -55.2 -28.6 7.9 -17.2 21.0 92 97 A D T 3 S- 0 0 80 2,-0.4 -5,-0.1 4,-0.4 3,-0.1 0.299 115.9-114.0-100.8 4.5 8.2 -20.2 23.4 93 98 A G S < S+ 0 0 4 -3,-2.4 2,-0.3 -7,-0.2 58,-0.1 0.269 94.8 39.7 82.8 -11.7 10.8 -18.5 25.7 94 99 A E S S+ 0 0 53 2,-0.1 2,-0.5 -7,-0.1 -2,-0.4 -0.932 103.1 18.7-156.7 164.4 13.5 -21.0 24.6 95 100 A G S S+ 0 0 65 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.540 97.1 58.0 75.8-114.8 14.6 -22.7 21.4 96 101 A R - 0 0 145 -2,-0.5 -4,-0.4 1,-0.1 2,-0.4 -0.295 69.8-140.2 -67.4 129.2 13.4 -21.2 18.1 97 102 A V - 0 0 37 -7,-0.2 2,-1.0 -2,-0.1 -7,-0.2 -0.721 8.4-137.8 -86.2 132.5 14.3 -17.6 17.3 98 103 A N >> - 0 0 14 -9,-3.2 4,-1.8 -2,-0.4 3,-0.7 -0.793 17.0-168.5 -89.5 96.7 11.7 -15.4 15.7 99 104 A Q H 3> S+ 0 0 126 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.775 83.9 58.5 -61.1 -32.4 13.8 -13.5 13.1 100 105 A E H 3> S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.893 107.2 48.6 -61.8 -40.3 11.1 -11.0 12.3 101 106 A G H <> S+ 0 0 0 -3,-0.7 4,-1.6 -13,-0.4 -2,-0.2 0.911 110.9 50.1 -64.5 -44.6 11.1 -10.0 16.0 102 107 A V H X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.893 107.7 54.1 -56.8 -44.9 14.9 -9.7 15.9 103 108 A A H X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.877 104.3 56.3 -61.7 -38.2 14.7 -7.5 12.8 104 109 A Y H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.944 109.8 42.3 -58.0 -51.1 12.2 -5.1 14.6 105 110 A Y H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.889 113.0 54.1 -69.3 -36.0 14.6 -4.4 17.5 106 111 A N H X S+ 0 0 39 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.953 111.2 46.1 -54.1 -51.5 17.5 -4.1 15.1 107 112 A N H X S+ 0 0 82 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.893 114.8 46.8 -59.6 -45.4 15.5 -1.5 13.1 108 113 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.951 114.9 45.7 -60.8 -51.5 14.5 0.4 16.3 109 114 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.911 114.1 48.9 -59.8 -46.2 18.0 0.4 17.7 110 115 A N H X S+ 0 0 70 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.907 112.0 48.0 -61.7 -44.4 19.6 1.5 14.4 111 116 A Y H X S+ 0 0 25 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.923 110.2 52.9 -63.5 -43.1 17.0 4.3 13.9 112 117 A 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