==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-11 3SCT . 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) . 33604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.6 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 . 57 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.7 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 4 10 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 . 6 2 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 . 2 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 0 154 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.0 10.0 31.0 34.6 2 6 A W T 3 + 0 0 100 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.772 360.0 55.4 -65.4 -22.2 8.0 27.9 33.6 3 7 A L T > S- 0 0 25 3,-0.0 3,-1.8 465,-0.0 -1,-0.3 0.632 100.6-141.4 -77.7 -15.7 11.3 26.0 33.6 4 8 A G T < - 0 0 41 -3,-1.7 -2,-0.1 1,-0.3 3,-0.1 0.828 68.5 -52.1 56.7 34.5 11.9 27.2 37.2 5 9 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.468 104.9 138.0 83.0 1.8 15.6 27.6 36.5 6 10 A L < + 0 0 4 -3,-1.8 -1,-0.3 3,-0.1 2,-0.3 -0.595 13.1 127.8 -84.5 145.3 16.0 24.1 35.2 7 11 A S S > S- 0 0 42 -2,-0.2 3,-1.3 -3,-0.1 4,-0.3 -0.919 74.7 -80.9-172.5 174.6 18.1 23.4 32.1 8 12 A R G > S+ 0 0 44 461,-0.8 3,-1.6 463,-0.4 7,-0.2 0.836 127.2 63.1 -59.7 -30.6 20.9 21.0 31.1 9 13 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.726 94.7 61.3 -65.7 -21.5 23.3 23.5 32.8 10 14 A A G < S+ 0 0 15 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.515 103.5 58.7 -82.7 -7.7 21.5 22.8 36.1 11 15 A F S < S- 0 0 11 -3,-1.6 3,-0.1 -4,-0.3 4,-0.1 -0.765 101.4 -74.9-118.5 165.6 22.5 19.1 35.9 12 16 A P > - 0 0 43 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.115 59.8 -85.2 -60.5 156.5 25.9 17.4 35.8 13 17 A K T 3 S+ 0 0 175 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.353 116.9 12.2 -57.4 135.9 28.0 17.4 32.6 14 18 A R T 3 S+ 0 0 218 1,-0.2 -1,-0.3 -3,-0.1 -6,-0.0 0.558 86.1 163.8 71.2 7.9 26.9 14.4 30.4 15 19 A F < - 0 0 10 -3,-2.0 2,-0.5 -7,-0.2 410,-0.2 -0.363 35.6-127.1 -58.2 135.1 23.7 13.8 32.5 16 20 A V E -a 425 0A 27 408,-2.0 410,-2.8 -3,-0.1 2,-0.4 -0.779 24.0-170.7 -96.5 126.6 21.4 11.6 30.4 17 21 A F E +a 426 0A 1 -2,-0.5 62,-2.9 408,-0.2 63,-1.4 -0.967 22.0 145.1-114.1 131.6 17.7 12.6 29.8 18 22 A G E -ab 427 80A 0 408,-2.5 410,-2.3 -2,-0.4 2,-0.3 -0.839 39.6-119.2-146.6-178.7 15.3 10.2 28.2 19 23 A T E -ab 428 81A 0 61,-0.9 63,-2.8 408,-0.3 2,-0.3 -0.835 27.6-141.8-123.6 167.0 11.7 8.8 28.0 20 24 A V E +ab 429 82A 0 408,-1.9 411,-1.4 -2,-0.3 410,-0.6 -0.960 23.7 160.0-134.5 144.6 10.6 5.3 28.7 21 25 A T - 0 0 2 61,-2.0 2,-0.3 -2,-0.3 3,-0.1 -0.854 26.9-132.5-140.0-180.0 8.1 2.8 27.4 22 26 A S > - 0 0 0 -2,-0.3 4,-1.5 61,-0.2 5,-0.4 -0.958 25.4-111.5-134.1 159.6 7.8 -1.0 27.7 23 27 A A H >> S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.2 3,-0.6 0.916 112.8 39.4 -58.9 -56.6 7.1 -3.6 24.9 24 28 A Y H 34 S+ 0 0 7 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.828 114.0 56.8 -65.4 -29.2 3.6 -4.8 25.8 25 29 A Q H 34 S+ 0 0 1 1,-0.1 410,-2.1 34,-0.1 -1,-0.2 0.773 127.6 8.2 -75.9 -23.9 2.5 -1.3 26.8 26 30 A V H << S+ 0 0 1 -4,-1.5 36,-2.3 -3,-0.6 34,-0.5 0.671 108.5 74.5-127.1 -25.7 3.4 0.3 23.4 27 31 A E < - 0 0 7 -4,-2.8 36,-2.3 -5,-0.4 37,-0.3 0.897 60.8-174.3 -65.4 -46.3 4.3 -2.1 20.6 28 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.438 51.7 101.5 70.2-156.9 1.1 -3.7 19.6 29 33 A M > + 0 0 7 28,-0.8 3,-1.1 -2,-0.1 6,-0.3 0.892 47.2 160.7 45.7 45.5 1.4 -6.5 17.0 30 34 A A T 3 S+ 0 0 3 27,-1.6 -1,-0.1 1,-0.3 27,-0.1 0.816 74.7 25.1 -69.8 -32.1 0.9 -8.8 20.1 31 35 A A T 3 S+ 0 0 86 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.033 118.0 74.2-119.9 27.0 -0.1 -11.8 18.0 32 36 A S S X S+ 0 0 18 -3,-1.1 3,-1.7 1,-0.1 473,-0.1 -0.816 70.9 45.6-134.2 171.0 1.7 -10.8 14.8 33 37 A G T 3 S- 0 0 4 1,-0.3 -1,-0.1 -2,-0.3 72,-0.1 0.729 129.2 -63.8 65.5 20.3 5.2 -10.6 13.4 34 38 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.380 91.6 154.3 87.1 -2.5 5.8 -14.1 14.8 35 39 A R < - 0 0 16 -3,-1.7 54,-0.3 -6,-0.3 -1,-0.3 -0.362 34.2-143.2 -65.6 132.8 5.4 -13.0 18.4 36 40 A G - 0 0 7 52,-2.7 52,-0.1 1,-0.1 -4,-0.1 -0.550 33.3 -86.2 -85.4 159.8 4.3 -15.7 20.9 37 41 A P - 0 0 66 0, 0.0 94,-2.6 0, 0.0 95,-0.5 -0.349 37.0-152.0 -68.5 146.3 1.9 -14.9 23.8 38 42 A S B >> -I 130 0B 0 92,-0.3 4,-1.7 93,-0.1 3,-0.6 -0.615 37.0 -98.7-101.5 173.0 3.1 -13.6 27.1 39 43 A I H 3> S+ 0 0 14 90,-2.5 4,-2.0 1,-0.2 5,-0.1 0.795 126.2 57.5 -61.2 -26.9 1.4 -14.1 30.4 40 44 A W H 3> S+ 0 0 3 89,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.802 100.4 55.4 -74.9 -29.1 -0.0 -10.6 29.9 41 45 A D H <> S+ 0 0 13 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.953 112.2 42.7 -63.3 -50.8 -1.7 -11.6 26.6 42 46 A A H < S+ 0 0 41 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.929 117.4 47.7 -59.0 -46.5 -3.5 -14.4 28.3 43 47 A F H >< S+ 0 0 9 -4,-2.0 3,-1.3 1,-0.2 6,-0.2 0.933 112.5 46.9 -61.7 -49.4 -4.4 -12.2 31.3 44 48 A A H 3< S+ 0 0 1 -4,-2.7 6,-0.3 1,-0.3 -1,-0.2 0.773 107.5 57.1 -70.3 -25.4 -5.6 -9.3 29.3 45 49 A H T 3< S+ 0 0 99 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.515 85.5 96.6 -83.0 -4.9 -7.8 -11.4 27.0 46 50 A T S X S- 0 0 67 -3,-1.3 3,-1.9 -4,-0.4 4,-0.4 -0.763 87.9-110.0 -86.1 122.2 -9.7 -12.8 30.0 47 51 A P T 3 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.227 99.3 19.3 -53.7 135.2 -12.9 -10.9 30.5 48 52 A G T 3 S+ 0 0 62 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.171 95.9 97.5 94.5 -17.1 -12.9 -8.8 33.7 49 53 A N S < S+ 0 0 28 -3,-1.9 2,-0.3 -6,-0.2 -5,-0.1 0.887 84.8 36.0 -74.6 -38.1 -9.1 -8.6 34.2 50 54 A V S > S- 0 0 5 -4,-0.4 3,-2.5 -6,-0.3 -2,-0.3 -0.863 99.7 -86.4-117.8 148.6 -8.5 -5.2 32.6 51 55 A A G > S+ 0 0 34 387,-2.5 3,-1.6 -2,-0.3 390,-0.3 -0.264 116.0 0.7 -47.9 128.3 -10.5 -2.0 32.6 52 56 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.644 119.1 -82.8 64.6 16.6 -13.0 -2.2 29.7 53 57 A N G < S+ 0 0 87 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.824 85.5 160.1 52.7 35.2 -11.7 -5.7 28.8 54 58 A Q < - 0 0 95 -3,-1.6 2,-0.3 384,-0.1 -1,-0.2 -0.391 18.0-177.3 -85.0 164.4 -8.9 -3.9 26.9 55 59 A N - 0 0 32 -2,-0.1 4,-0.5 -3,-0.1 3,-0.4 -0.864 39.5-102.0-148.6 178.1 -5.6 -5.4 25.9 56 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.098 74.9 119.8 -95.0 22.1 -2.3 -4.6 24.2 57 61 A D S S+ 0 0 54 1,-0.2 -27,-1.6 -28,-0.1 -28,-0.8 0.899 101.3 1.4 -53.4 -43.4 -3.1 -6.2 20.9 58 62 A V S > S+ 0 0 51 -3,-0.4 3,-2.3 -30,-0.3 4,-0.2 0.726 86.7 159.7-111.5 -40.4 -2.6 -2.9 19.1 59 63 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.284 82.0 -26.1 50.6-128.1 -1.6 -0.5 22.0 60 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.440 82.0-126.8 -91.4 -1.3 0.1 2.5 20.4 61 65 A D X> + 0 0 0 -3,-2.3 4,-1.8 -35,-0.2 3,-1.3 0.825 52.7 156.7 56.0 36.3 1.2 0.5 17.4 62 66 A Q H 3> + 0 0 4 -36,-2.3 4,-1.1 1,-0.3 -35,-0.2 0.827 61.9 75.4 -57.9 -27.5 4.8 1.6 17.9 63 67 A Y H 34 S+ 0 0 22 -36,-2.3 -1,-0.3 -37,-0.3 3,-0.1 0.870 109.8 26.2 -50.9 -40.5 5.8 -1.5 16.0 64 68 A H H <4 S+ 0 0 20 -3,-1.3 3,-0.3 -37,-0.3 -1,-0.2 0.784 128.7 44.2 -91.6 -26.3 4.7 0.2 12.8 65 69 A R H >X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 3,-0.7 0.131 70.0 120.1-108.8 16.4 5.3 3.8 13.8 66 70 A Y H 3X S+ 0 0 30 -4,-1.1 4,-2.7 1,-0.3 5,-0.2 0.806 74.2 55.0 -63.0 -30.0 8.6 3.7 15.6 67 71 A K H 3> S+ 0 0 44 859,-0.4 4,-2.6 -3,-0.3 -1,-0.3 0.892 107.1 51.3 -70.5 -35.6 10.3 6.1 13.2 68 72 A E H <> S+ 0 0 21 -3,-0.7 4,-2.2 859,-0.3 -2,-0.2 0.945 113.0 46.0 -58.0 -46.7 7.6 8.7 14.0 69 73 A D H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.890 112.8 48.4 -69.1 -37.4 8.2 8.2 17.7 70 74 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.933 110.9 51.9 -67.7 -43.8 12.0 8.4 17.4 71 75 A N H X S+ 0 0 41 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.910 110.7 49.6 -55.1 -42.0 11.7 11.5 15.3 72 76 A L H X S+ 0 0 24 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.932 109.3 48.5 -66.1 -48.0 9.4 13.0 18.0 73 77 A M H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 -1,-0.2 0.885 112.4 50.4 -63.2 -34.3 11.7 12.2 21.0 74 78 A K H ><5S+ 0 0 91 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.913 107.6 53.1 -66.2 -41.5 14.7 13.7 19.0 75 79 A S H 3<5S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.748 104.8 56.4 -64.4 -23.0 12.6 16.8 18.3 76 80 A L T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.2 394,-0.2 0.307 117.6-114.6 -93.0 7.9 12.0 17.1 22.1 77 81 A N T < 5 + 0 0 44 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.648 59.5 155.4 70.9 20.8 15.7 17.1 22.7 78 82 A F < - 0 0 6 -5,-1.9 -1,-0.2 1,-0.1 -60,-0.2 -0.447 34.2-155.8 -72.9 153.1 16.0 13.8 24.6 79 83 A D S S+ 0 0 27 -62,-2.9 40,-2.9 1,-0.1 2,-0.3 0.614 70.0 20.7 -97.4 -22.7 19.4 12.0 24.6 80 84 A A E -bc 18 119A 0 -63,-1.4 -61,-0.9 38,-0.3 2,-0.4 -0.939 57.1-145.1-149.5 164.3 18.2 8.4 25.3 81 85 A Y E -bc 19 120A 0 38,-2.3 40,-2.7 -2,-0.3 2,-0.6 -0.986 9.6-154.7-141.2 122.0 15.2 6.1 25.1 82 86 A R E +bc 20 121A 0 -63,-2.8 -61,-2.0 -2,-0.4 2,-0.3 -0.890 32.8 149.1 -96.3 122.1 14.5 3.3 27.6 83 87 A F E - c 0 122A 5 38,-2.0 40,-2.8 -2,-0.6 2,-0.3 -0.890 35.5-121.5-141.6 171.3 12.4 0.5 26.0 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.861 11.4-128.7-120.1 155.3 12.1 -3.2 26.5 85 89 A I - 0 0 0 38,-2.5 2,-0.7 -2,-0.3 41,-0.2 -0.879 28.0-126.5 -95.3 129.4 12.6 -6.3 24.3 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.3 1,-0.2 3,-1.2 -0.701 13.1-152.1 -76.8 114.8 9.6 -8.7 24.4 87 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.1 1,-0.3 3,-0.7 0.915 96.3 50.8 -51.8 -47.7 11.0 -12.1 25.2 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.7 1,-0.2 -1,-0.3 0.599 102.5 60.3 -73.8 -10.6 8.2 -13.8 23.4 89 93 A R H <4 S+ 0 0 1 -3,-1.2 13,-0.3 -54,-0.3 -1,-0.2 0.793 115.8 34.1 -78.7 -30.5 8.8 -11.7 20.3 90 94 A I H << S+ 0 0 0 -4,-1.3 9,-3.2 -3,-0.7 -2,-0.2 0.905 137.0 21.0 -83.5 -51.5 12.3 -13.1 20.1 91 95 A F S >< S- 0 0 21 -4,-3.1 3,-2.2 7,-0.2 -1,-0.3 -0.901 70.6-164.8-119.0 96.2 11.6 -16.6 21.4 92 96 A P T 3 S+ 0 0 7 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.808 94.9 36.5 -56.4 -30.2 7.9 -17.3 20.9 93 97 A D T 3 S- 0 0 82 2,-0.4 -5,-0.1 4,-0.4 3,-0.1 0.281 116.3-112.3 -99.0 5.0 8.2 -20.3 23.3 94 98 A G S < S+ 0 0 4 -3,-2.2 2,-0.3 -7,-0.2 58,-0.1 0.257 96.0 37.2 85.3 -13.5 10.7 -18.6 25.6 95 99 A E S S+ 0 0 53 2,-0.1 2,-0.6 -7,-0.1 -2,-0.4 -0.944 103.4 22.3-157.9 162.0 13.4 -21.1 24.5 96 100 A G S S+ 0 0 66 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.636 95.8 55.7 82.8-115.7 14.4 -22.9 21.3 97 101 A R - 0 0 145 -2,-0.6 2,-0.4 1,-0.1 -4,-0.4 -0.311 69.6-139.0 -69.0 133.5 13.3 -21.3 18.0 98 102 A V - 0 0 35 -7,-0.2 2,-1.0 -6,-0.1 -7,-0.2 -0.760 9.1-137.5 -88.2 133.9 14.3 -17.7 17.2 99 103 A N >> - 0 0 13 -9,-3.2 4,-1.9 -2,-0.4 3,-0.8 -0.805 16.6-167.1 -89.7 98.3 11.7 -15.5 15.5 100 104 A Q H 3> S+ 0 0 131 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.820 84.2 59.1 -60.4 -32.5 13.8 -13.7 12.9 101 105 A E H 3> S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.868 106.3 48.8 -64.1 -36.1 11.1 -11.2 12.2 102 106 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 -13,-0.3 -2,-0.2 0.917 109.4 51.6 -68.4 -44.0 11.1 -10.1 15.9 103 107 A V H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.915 107.6 54.1 -55.4 -43.8 14.9 -9.8 15.8 104 108 A A H X S+ 0 0 42 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.878 103.8 55.7 -61.9 -40.2 14.6 -7.6 12.7 105 109 A Y H X S+ 0 0 7 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.952 110.7 43.0 -55.6 -52.7 12.2 -5.2 14.5 106 110 A Y H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.888 112.9 53.2 -67.8 -34.7 14.6 -4.6 17.4 107 111 A N H X S+ 0 0 38 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.944 111.0 47.3 -59.5 -45.1 17.5 -4.2 15.0 108 112 A N H X S+ 0 0 80 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.906 114.5 45.9 -63.8 -42.4 15.5 -1.7 13.0 109 113 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.948 114.7 46.6 -63.7 -51.2 14.5 0.2 16.1 110 114 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.919 113.9 48.6 -57.6 -46.4 18.1 0.2 17.6 111 115 A N H X S+ 0 0 70 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.888 112.1 48.2 -64.6 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65,-2.0 4,-1.4 -2,-0.5 3,-1.1 0.894 59.5-177.6 50.6 61.8 10.3 -3.8 39.2 173 177 A P H 3> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.792 80.6 66.1 -58.1 -27.1 10.6 -7.4 40.4 174 178 A R H 3> S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 100.3 49.6 -60.2 -38.0 8.9 -6.2 43.7 175 179 A I H <>>S+ 0 0 27 -3,-1.1 4,-2.8 2,-0.2 5,-0.6 0.877 109.0 51.0 -72.2 -36.9 5.7 -5.4 41.7 176 180 A V H X5S+ 0 0 15 -4,-1.4 4,-1.8 2,-0.2 5,-0.4 0.946 114.9 44.1 -60.8 -48.3 5.8 -8.9 40.1 177 181 A A H X>S+ 0 0 0 -4,-2.6 4,-1.3 3,-0.2 5,-0.7 0.937 119.5 42.1 -61.1 -47.1 6.2 -10.4 43.6 178 182 A L H X>S+ 0 0 16 -4,-2.9 5,-2.9 3,-0.2 4,-1.2 0.966 126.2 28.1 -68.3 -54.9 3.5 -8.2 45.2 179 183 A L H <5S+ 0 0 36 -4,-2.8 7,-2.3 3,-0.2 6,-1.3 0.812 126.9 42.5 -82.7 -29.6 0.8 -8.2 42.5 180 184 A G H < S- 0 0 11 -7,-2.3 3,-2.7 4,-0.1 4,-0.3 -0.787 105.8 -38.3-111.2 161.4 -1.6 -9.4 38.2 187 191 A P T 3 S+ 0 0 11 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.305 127.8 29.3 -61.5 143.7 -0.5 -12.5 36.3 188 192 A P T 3 S- 0 0 24 0, 0.0 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