==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-11 3SCP . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 7; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR S.PENGTHAISONG,S.G.WITHERS,B.KUAPRASERT,J.R.KETUDAT CAIRNS . 944 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 10.6 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 . 103 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.0 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 6 0 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 0 5 9 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 5 A N > 0 0 159 0, 0.0 3,-1.9 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 153.0 9.3 31.3 34.7 2 6 A W T 3 + 0 0 95 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.694 360.0 54.3 -66.2 -20.3 7.7 28.0 33.7 3 7 A L T > S- 0 0 18 465,-0.0 3,-1.2 3,-0.0 -1,-0.3 0.700 98.1-143.3 -77.1 -22.2 11.1 26.2 33.7 4 8 A G T < - 0 0 42 -3,-1.9 -2,-0.1 1,-0.3 3,-0.1 0.859 68.9 -50.5 60.9 36.2 11.6 27.4 37.3 5 9 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 -4,-0.0 -1,-0.3 0.494 105.5 137.3 80.5 4.1 15.3 27.9 36.6 6 10 A L < + 0 0 5 -3,-1.2 2,-0.3 3,-0.1 -1,-0.3 -0.646 12.5 127.6 -88.7 144.2 15.8 24.4 35.2 7 11 A S S > S- 0 0 42 -2,-0.3 3,-1.3 -3,-0.1 4,-0.3 -0.907 74.7 -81.6-170.1 176.1 17.9 23.6 32.1 8 12 A R G > S+ 0 0 45 461,-0.8 3,-1.9 463,-0.3 7,-0.2 0.850 126.1 64.9 -60.4 -34.0 20.7 21.2 31.2 9 13 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.730 93.5 62.6 -60.4 -22.8 23.1 23.7 32.9 10 14 A A G < S+ 0 0 16 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.590 102.0 58.7 -80.0 -10.9 21.3 23.0 36.2 11 15 A F S < S- 0 0 10 -3,-1.9 3,-0.1 -4,-0.3 4,-0.1 -0.755 102.2 -75.9-114.6 164.1 22.4 19.3 36.0 12 16 A P > - 0 0 45 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.145 62.1 -83.3 -56.2 152.2 25.8 17.6 35.9 13 17 A K T 3 S+ 0 0 178 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.271 116.7 10.9 -51.5 137.0 27.8 17.6 32.6 14 18 A R T 3 S+ 0 0 226 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.589 85.3 163.8 62.9 11.2 26.7 14.8 30.4 15 19 A F < - 0 0 11 -3,-2.1 2,-0.5 -7,-0.2 410,-0.2 -0.421 37.6-123.6 -53.6 131.0 23.6 14.0 32.6 16 20 A V E -a 425 0A 26 408,-2.1 410,-2.7 -2,-0.1 2,-0.4 -0.731 26.4-171.0 -89.4 125.4 21.3 11.8 30.6 17 21 A F E +a 426 0A 1 -2,-0.5 62,-2.8 408,-0.2 63,-1.3 -0.964 22.6 142.3-110.6 132.6 17.6 12.8 29.9 18 22 A G E -ab 427 80A 0 408,-2.4 410,-2.5 -2,-0.4 2,-0.3 -0.880 41.4-115.9-147.6-178.2 15.2 10.3 28.3 19 23 A T E -ab 428 81A 0 61,-1.1 63,-3.0 408,-0.3 2,-0.4 -0.855 27.5-142.2-120.1 165.8 11.7 8.9 28.1 20 24 A V E +ab 429 82A 0 408,-2.0 411,-1.3 -2,-0.3 410,-0.6 -0.969 23.4 160.0-130.5 142.3 10.5 5.3 28.9 21 25 A T - 0 0 2 61,-2.3 2,-0.3 -2,-0.4 3,-0.1 -0.817 27.2-133.1-135.1-177.8 8.1 2.8 27.5 22 26 A S > - 0 0 0 -2,-0.3 4,-1.3 61,-0.2 5,-0.4 -0.958 25.3-111.8-135.4 157.4 7.8 -1.0 27.9 23 27 A A H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.8 0.920 112.7 41.1 -56.7 -57.5 7.1 -3.5 25.1 24 28 A Y H 34 S+ 0 0 7 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.833 113.2 56.7 -62.1 -30.8 3.6 -4.8 26.0 25 29 A Q H 34 S+ 0 0 1 1,-0.1 410,-2.1 -3,-0.1 -1,-0.2 0.722 127.4 7.9 -75.9 -23.5 2.5 -1.2 26.8 26 30 A V H << S+ 0 0 1 -4,-1.3 36,-2.3 -3,-0.8 34,-0.5 0.655 108.9 74.3-128.0 -27.8 3.3 0.4 23.5 27 31 A E < - 0 0 6 -4,-2.7 36,-2.2 -5,-0.4 37,-0.3 0.905 61.4-175.4 -64.1 -46.3 4.4 -2.0 20.7 28 32 A G + 0 0 4 -5,-0.4 30,-0.3 -4,-0.3 -1,-0.2 -0.500 50.8 102.6 68.5-152.6 1.1 -3.7 19.7 29 33 A M > + 0 0 8 28,-0.5 3,-1.3 -2,-0.2 6,-0.3 0.874 47.6 161.9 40.8 43.0 1.4 -6.5 17.1 30 34 A A T 3 S+ 0 0 3 27,-1.6 -1,-0.1 1,-0.3 27,-0.1 0.780 73.6 24.6 -64.7 -28.9 1.0 -8.8 20.2 31 35 A A T 3 S+ 0 0 87 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.115 118.2 70.5-126.2 30.6 0.0 -11.8 18.2 32 36 A S S X S+ 0 0 19 -3,-1.3 3,-1.8 -4,-0.1 473,-0.1 -0.844 71.2 50.8-136.1 176.6 1.7 -10.9 14.9 33 37 A G T 3 S- 0 0 4 -2,-0.3 72,-0.1 1,-0.3 -1,-0.1 0.690 129.5 -66.7 66.4 19.0 5.2 -10.6 13.5 34 38 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.410 90.6 155.3 81.9 2.1 5.8 -14.1 14.9 35 39 A R < - 0 0 16 -3,-1.8 54,-0.3 -6,-0.3 -1,-0.2 -0.374 34.6-141.5 -66.9 134.2 5.5 -13.0 18.6 36 40 A G - 0 0 6 52,-2.9 52,-0.1 1,-0.1 57,-0.1 -0.556 32.8 -89.3 -87.4 160.8 4.4 -15.7 21.1 37 41 A P - 0 0 64 0, 0.0 94,-2.4 0, 0.0 95,-0.5 -0.361 35.5-150.3 -72.9 150.6 2.0 -14.8 23.9 38 42 A S B > -I 130 0B 0 92,-0.3 4,-1.6 93,-0.2 3,-0.5 -0.618 36.7 -98.4-104.1 172.4 3.1 -13.6 27.3 39 43 A I H > S+ 0 0 15 90,-2.5 4,-2.2 1,-0.2 5,-0.1 0.808 126.4 58.0 -59.8 -28.6 1.4 -14.1 30.6 40 44 A W H > S+ 0 0 4 89,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.833 100.1 55.8 -71.6 -33.0 -0.0 -10.6 30.1 41 45 A D H > S+ 0 0 12 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.951 112.2 42.2 -59.4 -52.0 -1.6 -11.6 26.8 42 46 A A H < S+ 0 0 40 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.931 117.1 48.5 -59.1 -47.9 -3.6 -14.5 28.5 43 47 A F H >< S+ 0 0 11 -4,-2.2 3,-1.2 1,-0.2 6,-0.2 0.919 112.6 46.1 -59.5 -47.2 -4.4 -12.3 31.5 44 48 A A H 3< S+ 0 0 2 -4,-2.7 6,-0.3 1,-0.3 -1,-0.2 0.750 108.5 56.9 -73.9 -24.7 -5.7 -9.3 29.5 45 49 A H T 3< S+ 0 0 98 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.484 85.7 95.6 -83.4 -4.8 -7.8 -11.5 27.2 46 50 A T S X S- 0 0 72 -3,-1.2 3,-2.1 -4,-0.4 4,-0.4 -0.796 89.3-109.3 -88.3 119.1 -9.7 -12.9 30.2 47 51 A P T 3 S+ 0 0 104 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.125 99.8 17.7 -48.6 134.8 -13.0 -11.0 30.7 48 52 A G T 3 S+ 0 0 63 2,-0.3 -4,-0.1 -4,-0.1 4,-0.1 0.266 96.2 98.6 87.1 -9.2 -12.9 -8.8 33.8 49 53 A N S < S+ 0 0 27 -3,-2.1 2,-0.3 -6,-0.2 -5,-0.1 0.884 85.2 36.0 -76.3 -38.9 -9.1 -8.7 34.4 50 54 A V S > S- 0 0 5 -4,-0.4 3,-2.4 -6,-0.3 -2,-0.3 -0.880 101.3 -86.3-116.4 145.6 -8.5 -5.3 32.7 51 55 A A G > S+ 0 0 35 387,-2.7 3,-1.8 -2,-0.3 390,-0.3 -0.229 116.2 0.4 -43.8 129.0 -10.6 -2.1 32.7 52 56 A G G 3 S- 0 0 64 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.677 119.3 -83.1 58.6 21.4 -13.1 -2.3 29.8 53 57 A N G < S+ 0 0 88 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.805 85.1 160.8 50.1 32.8 -11.7 -5.8 29.0 54 58 A Q < - 0 0 97 -3,-1.8 2,-0.3 384,-0.1 -1,-0.2 -0.340 16.9-175.9 -81.1 163.9 -9.0 -3.9 27.0 55 59 A N - 0 0 35 -3,-0.1 4,-0.5 -2,-0.1 3,-0.4 -0.874 38.5-102.1-148.8 178.2 -5.6 -5.4 26.0 56 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.3 0.172 75.2 118.0 -93.7 18.9 -2.3 -4.7 24.4 57 61 A D S S+ 0 0 54 1,-0.2 -27,-1.6 -28,-0.1 -28,-0.5 0.847 101.7 1.3 -53.4 -41.8 -3.0 -6.3 21.0 58 62 A V S > S+ 0 0 51 -3,-0.4 3,-2.3 -30,-0.3 4,-0.2 0.650 86.1 160.1-114.3 -40.6 -2.6 -2.9 19.2 59 63 A A T 3 S- 0 0 3 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.258 82.4 -26.4 51.1-127.5 -1.7 -0.6 22.1 60 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.490 82.4-127.1 -94.5 -2.3 0.0 2.5 20.5 61 65 A D X> + 0 0 0 -3,-2.3 4,-1.5 -35,-0.2 3,-1.4 0.831 52.6 156.4 58.9 36.8 1.2 0.4 17.5 62 66 A Q H 3> + 0 0 4 -36,-2.3 4,-1.2 1,-0.3 -35,-0.2 0.814 61.0 76.5 -60.7 -27.6 4.7 1.6 18.0 63 67 A Y H 34 S+ 0 0 24 -36,-2.2 -1,-0.3 -37,-0.3 3,-0.1 0.863 109.3 26.5 -50.1 -40.8 5.8 -1.6 16.1 64 68 A H H <4 S+ 0 0 20 -3,-1.4 -1,-0.2 -37,-0.3 3,-0.2 0.691 128.6 44.3 -92.8 -20.1 4.7 0.2 12.9 65 69 A R H >X + 0 0 2 -4,-1.5 4,-2.0 -38,-0.2 3,-0.6 0.173 69.7 119.2-113.1 15.8 5.3 3.8 14.0 66 70 A Y H 3X S+ 0 0 30 -4,-1.2 4,-2.8 1,-0.3 5,-0.2 0.799 74.7 55.3 -60.6 -30.3 8.6 3.7 15.8 67 71 A K H 3> S+ 0 0 45 859,-0.4 4,-2.5 -3,-0.2 -1,-0.3 0.891 107.9 49.5 -70.3 -36.1 10.3 6.1 13.4 68 72 A E H <> S+ 0 0 22 -3,-0.6 4,-2.0 859,-0.3 -2,-0.2 0.935 113.4 46.7 -60.7 -45.2 7.6 8.7 14.0 69 73 A D H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.879 112.6 48.8 -70.3 -38.5 8.1 8.2 17.8 70 74 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.925 110.8 50.8 -64.8 -43.6 11.9 8.4 17.6 71 75 A N H X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.896 110.6 51.4 -57.5 -40.9 11.6 11.6 15.4 72 76 A L H X S+ 0 0 26 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.959 108.8 48.0 -63.1 -51.1 9.3 13.0 18.1 73 77 A M H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 -2,-0.2 0.865 112.7 49.6 -62.6 -35.5 11.7 12.2 21.0 74 78 A K H ><5S+ 0 0 92 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.908 107.8 53.4 -66.0 -41.2 14.6 13.8 19.1 75 79 A S H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.772 104.9 56.7 -64.5 -23.3 12.5 16.9 18.4 76 80 A L T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 394,-0.3 0.373 117.3-116.0 -89.3 6.7 11.8 17.1 22.1 77 81 A N T < 5 + 0 0 38 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.672 59.4 153.9 68.9 23.7 15.6 17.2 22.8 78 82 A F < - 0 0 5 -5,-1.8 -1,-0.2 1,-0.1 -60,-0.2 -0.519 35.0-156.0 -77.8 151.5 15.9 13.9 24.7 79 83 A D S S+ 0 0 32 -62,-2.8 40,-2.7 -2,-0.2 2,-0.3 0.545 70.2 24.5 -99.3 -18.0 19.3 12.1 24.7 80 84 A A E -bc 18 119A 0 -63,-1.3 -61,-1.1 38,-0.3 2,-0.4 -0.958 56.8-146.7-152.1 159.6 18.1 8.6 25.4 81 85 A Y E -bc 19 120A 0 38,-2.3 40,-2.5 -2,-0.3 2,-0.6 -0.981 9.5-155.3-137.9 120.9 15.2 6.2 25.2 82 86 A R E +bc 20 121A 1 -63,-3.0 -61,-2.3 -2,-0.4 2,-0.3 -0.884 32.4 150.4 -95.8 118.2 14.5 3.4 27.7 83 87 A F E - c 0 122A 4 38,-1.8 40,-2.6 -2,-0.6 2,-0.3 -0.870 34.6-124.0-136.7 169.3 12.4 0.6 26.1 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.839 12.0-127.4-118.1 155.9 12.2 -3.1 26.7 85 89 A I - 0 0 0 38,-2.4 2,-0.7 -2,-0.3 41,-0.2 -0.892 26.9-126.3 -94.3 130.3 12.6 -6.2 24.5 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.4 1,-0.2 3,-1.0 -0.710 13.5-153.2 -74.3 115.3 9.6 -8.6 24.5 87 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.2 1,-0.3 3,-0.6 0.917 95.7 49.6 -54.7 -47.6 11.1 -12.0 25.4 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.9 1,-0.2 -1,-0.3 0.601 103.4 60.7 -74.4 -9.8 8.3 -13.9 23.6 89 93 A R H <4 S+ 0 0 0 -3,-1.0 13,-0.3 -54,-0.3 -1,-0.2 0.818 115.8 33.4 -79.1 -31.9 8.8 -11.7 20.5 90 94 A I H << S+ 0 0 0 -4,-1.4 9,-3.2 -3,-0.6 -2,-0.2 0.906 137.5 22.4 -82.6 -51.7 12.4 -13.0 20.3 91 95 A F S >< S- 0 0 20 -4,-3.2 3,-2.5 7,-0.2 -1,-0.3 -0.894 70.2-164.8-117.8 96.7 11.6 -16.6 21.6 92 96 A P T 3 S+ 0 0 7 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.815 96.4 35.3 -54.5 -32.2 7.9 -17.3 21.1 93 97 A D T 3 S- 0 0 83 2,-0.4 -5,-0.1 4,-0.4 3,-0.1 0.262 116.4-112.2-100.7 9.0 8.2 -20.3 23.5 94 98 A G S < S+ 0 0 4 -3,-2.5 2,-0.3 -7,-0.2 58,-0.1 0.284 95.9 37.9 79.9 -11.2 10.7 -18.5 25.8 95 99 A E S S+ 0 0 55 2,-0.1 2,-0.6 -7,-0.1 -2,-0.4 -0.950 102.2 22.1-158.2 162.8 13.4 -21.0 24.7 96 100 A G S S+ 0 0 65 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.644 96.8 54.6 82.2-114.7 14.5 -22.8 21.5 97 101 A R S S- 0 0 150 -2,-0.6 2,-0.4 1,-0.1 -4,-0.4 -0.303 70.4-138.8 -70.7 133.9 13.5 -21.3 18.2 98 102 A V - 0 0 37 -7,-0.2 2,-1.0 -6,-0.1 -7,-0.2 -0.731 9.7-136.5 -88.8 134.5 14.4 -17.7 17.5 99 103 A N >> - 0 0 14 -9,-3.2 4,-1.9 -2,-0.4 3,-0.7 -0.818 17.2-166.6 -91.4 101.4 11.7 -15.5 15.7 100 104 A Q H 3> S+ 0 0 130 -2,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.797 85.2 57.0 -64.9 -31.5 13.9 -13.7 13.2 101 105 A E H 3> S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.843 107.2 51.1 -65.2 -33.4 11.2 -11.1 12.3 102 106 A G H <> S+ 0 0 0 -3,-0.7 4,-1.7 -13,-0.3 -2,-0.2 0.942 109.3 49.2 -65.9 -48.6 11.2 -10.2 16.1 103 107 A V H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.894 109.1 53.7 -55.5 -45.6 15.0 -9.8 16.0 104 108 A A H X S+ 0 0 41 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.871 102.9 57.0 -61.8 -40.5 14.7 -7.6 12.9 105 109 A Y H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.957 110.6 42.8 -54.7 -51.4 12.2 -5.3 14.6 106 110 A Y H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.886 112.3 53.0 -69.2 -36.4 14.6 -4.5 17.5 107 111 A N H X S+ 0 0 38 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.965 111.3 48.2 -54.7 -49.5 17.6 -4.2 15.1 108 112 A N H X S+ 0 0 82 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.898 113.8 45.8 -60.3 -43.9 15.6 -1.7 13.1 109 113 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.934 114.9 46.2 -61.7 -51.8 14.6 0.2 16.3 110 114 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.906 113.6 49.1 -60.2 -43.3 18.1 0.3 17.8 111 115 A N H X S+ 0 0 69 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.882 112.2 47.9 -67.4 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-1,-0.3 0.668 87.9 79.7 -71.8 -19.2 8.6 -19.8 41.4 142 146 A N S X S- 0 0 58 -3,-2.8 3,-2.3 -4,-0.2 4,-0.2 -0.814 72.0-149.6-100.0 122.3 11.2 -22.0 39.6 143 147 A A T > S+ 0 0 63 -2,-0.5 3,-1.9 1,-0.3 4,-0.3 0.755 93.4 78.8 -54.5 -25.4 14.9 -21.5 40.3 144 148 A K T >> + 0 0 88 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.667 69.8 84.7 -60.1 -17.5 15.5 -22.8 36.8 145 149 A M H <> S+ 0 0 0 -3,-2.3 4,-3.3 -6,-0.3 5,-0.3 0.814 79.6 64.7 -53.5 -32.6 14.5 -19.2 35.6 146 150 A A H <> S+ 0 0 15 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.921 106.6 40.3 -56.0 -47.9 18.1 -18.2 36.2 147 151 A D H <> S+ 0 0 86 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.924 118.2 47.6 -65.6 -47.1 19.3 -20.6 33.4 148 152 A L H X S+ 0 0 14 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.898 115.0 44.4 -64.6 -42.1 16.3 -19.7 31.2 149 153 A F H X S+ 0 0 0 -4,-3.3 4,-3.2 2,-0.2 -1,-0.2 0.894 111.4 54.8 -70.0 -39.3 16.7 -15.9 31.6 150 154 A T H X S+ 0 0 6 -4,-2.1 4,-3.1 -5,-0.3 -2,-0.2 0.906 107.6 48.7 -60.7 -42.3 20.5 -16.2 31.2 151 155 A E H X S+ 0 0 106 -4,-2.2 4,-2.0 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4,-1.3 -2,-0.5 3,-1.1 0.904 59.2-177.8 51.0 61.9 10.4 -3.6 39.4 173 177 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.755 80.1 67.7 -59.8 -23.1 10.6 -7.3 40.6 174 178 A R H 3> S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.906 99.6 49.0 -59.5 -39.4 9.0 -6.1 43.9 175 179 A I H <>>S+ 0 0 30 -3,-1.1 4,-2.8 2,-0.2 5,-0.6 0.879 110.0 50.7 -70.9 -37.3 5.8 -5.3 41.9 176 180 A V H X5S+ 0 0 18 -4,-1.3 4,-2.1 2,-0.2 5,-0.5 0.957 114.8 43.7 -58.9 -50.1 5.8 -8.8 40.3 177 181 A A H X>S+ 0 0 0 -4,-2.5 4,-1.2 3,-0.2 5,-0.6 0.934 120.2 42.1 -60.9 -46.8 6.3 -10.4 43.8 178 182 A L H X>S+ 0 0 17 -4,-3.0 5,-2.8 3,-0.2 4,-1.3 0.960 125.4 29.4 -67.6 -54.8 3.6 -8.1 45.4 179 183 A L H <5S+ 0 0 36 -4,-2.8 7,-2.3 3,-0.2 6,-1.2 0.829 126.4 42.1 -82.0 -32.9 0.9 -8.1 42.7 180 184 A G H < S- 0 0 15 -7,-2.3 3,-2.6 4,-0.1 4,-0.4 -0.797 105.8 -37.8-108.7 163.0 -1.6 -9.3 38.4 187 191 A P T 3 S+ 0 0 11 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.270 128.3 28.0 -61.8 143.8 -0.5 -12.5 36.5 188 192 A P T 3 S- 0 0 26 0, 0.0 -8,-0.1 0, 0.0 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-0.750 45.8-114.0 132.1-176.7 -0.6 -19.7 46.0 199 203 A N >> - 0 0 62 -18,-0.4 4,-2.3 -2,-0.2 3,-1.4 -0.741 11.5-158.6-163.1 102.2 0.6 -18.6 49.4 200 204 A S T 34 S+ 0 0 10 1,-0.2 129,-1.8 -2,-0.2 130,-0.2 0.626 91.4 57.2 -63.4 -15.8 1.0 -14.8 50.0 201 205 A A T 34 S+ 0 0 6 127,-0.3 -1,-0.2 126,-0.2 127,-0.2 0.622 122.3 17.6 -90.1 -16.9 3.4 -15.5 53.0 202 206 A T T X> S+ 0 0 40 -3,-1.4 4,-1.7 -21,-0.2 3,-0.6 0.720 111.1 64.8-123.8 -45.4 6.0 -17.5 51.1 203 207 A E H 3X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.856 95.7 58.1 -62.4 -39.2 5.7 -17.1 47.3 204 208 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.879 109.7 47.7 -59.7 -32.6 6.6 -13.4 47.1 205 209 A Y H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.871 110.7 49.5 -73.3 -40.0 9.9 -14.2 48.8 206 210 A I H X S+ 0 0 62 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.959 112.9 49.0 -58.2 -49.3 10.6 -17.2 46.5 207 211 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.899 110.5 48.3 -60.1 -46.5 9.9 -15.0 43.5 208 212 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.892 110.2 53.1 -61.7 -39.5 12.2 -12.1 44.6 209 213 A H H X S+ 0 0 14 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.918 109.0 49.2 -61.6 -44.1 15.0 -14.5 45.4 210 214 A N H X S+ 0 0 10 -4,-2.2 4,-2.3 -70,-0.3 -1,-0.2 0.854 108.4 53.0 -71.3 -33.0 14.8 -16.0 41.9 211 215 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.934 111.6 46.6 -60.4 -47.4 14.8 -12.5 40.3 212 216 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 114.5 46.4 -62.4 -45.4 18.0 -11.7 42.2 213 217 A L H X S+ 0 0 25 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.869 114.1 48.9 -64.8 -37.0 19.6 -15.1 41.3 214 218 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.905 111.1 49.2 -69.6 -42.7 18.6 -14.6 37.6 215 219 A H H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.943 112.5 48.2 -56.7 -51.1 19.9 -11.1 37.5 216 220 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.889 111.7 49.5 -59.1 -40.9 23.2 -12.2 39.0 217 221 A A H X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.889 111.1 49.0 -69.2 -38.1 23.5 -15.1 36.5 218 222 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 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