==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-10 3PTQ . COMPND 2 MOLECULE: BETA-GLUCOSIDASE OS4BGLU12; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA; . AUTHOR S.SANSENYA,R.OPASSIRI,B.KUAPRASERT,C.J.CHEN,J.R.KETUDAT CAIR . 956 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 694 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 4.2 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 . 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 . 58 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.8 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 10 0 0 6 2 6 0 0 0 2 2 3 1 2 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 7 6 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 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 . 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 9 A P 0 0 137 0, 0.0 411,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 51.0 -26.3 13.8 -39.5 2 10 A V - 0 0 23 410,-0.1 2,-0.3 1,-0.1 414,-0.1 0.285 360.0-179.5 65.3 105.5 -29.4 12.8 -39.2 3 11 A S > - 0 0 13 412,-0.1 3,-2.0 473,-0.1 4,-0.5 -0.939 50.9 -84.9-153.4 171.0 -32.2 14.2 -36.9 4 12 A R G > S+ 0 0 41 471,-3.1 3,-1.8 -2,-0.3 7,-0.1 0.849 124.7 65.6 -46.5 -38.8 -35.9 13.4 -36.1 5 13 A R G 3 S+ 0 0 141 472,-0.3 -1,-0.3 1,-0.3 471,-0.1 0.714 91.0 63.4 -64.7 -20.4 -36.7 15.6 -39.2 6 14 A S G < S+ 0 0 40 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.729 94.6 79.6 -69.3 -21.9 -35.0 13.0 -41.4 7 15 A F S < S- 0 0 13 -3,-1.8 3,-0.1 -4,-0.5 4,-0.1 -0.447 96.0 -84.0 -92.8 158.2 -37.6 10.4 -40.4 8 16 A P > - 0 0 65 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.146 55.5 -91.7 -56.2 154.5 -41.2 10.0 -41.6 9 17 A K T 3 S+ 0 0 218 1,-0.2 3,-0.1 -4,-0.0 -4,-0.0 -0.434 114.3 26.5 -65.6 140.6 -43.9 12.2 -40.0 10 18 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.334 85.1 149.4 87.2 -7.4 -45.6 10.6 -37.1 11 19 A F < - 0 0 13 -3,-1.6 2,-0.5 -7,-0.1 -1,-0.3 -0.360 41.3-132.8 -65.4 137.8 -42.5 8.4 -36.4 12 20 A I E -a 430 0A 20 417,-1.9 419,-2.9 -3,-0.1 2,-0.4 -0.807 20.1-171.4-104.8 125.5 -42.1 7.6 -32.7 13 21 A F E +a 431 0A 3 -2,-0.5 63,-2.8 417,-0.2 64,-1.4 -0.961 24.9 135.1-114.0 135.7 -38.8 8.0 -30.7 14 22 A G E -ab 432 77A 2 417,-2.6 419,-2.5 -2,-0.4 2,-0.3 -0.858 43.4-110.8-154.3-173.3 -38.5 6.7 -27.1 15 23 A T E -ab 433 78A 0 62,-1.2 64,-3.0 417,-0.3 2,-0.3 -0.868 27.3-134.0-126.4 165.9 -36.5 4.8 -24.6 16 24 A A E +ab 434 79A 0 417,-2.4 420,-1.1 -2,-0.3 419,-0.5 -0.915 23.1 165.4-126.6 150.3 -37.1 1.4 -23.0 17 25 A S - 0 0 5 62,-2.8 2,-0.3 -2,-0.3 422,-0.0 -0.891 20.9-137.9-144.3 173.6 -37.0 -0.1 -19.5 18 26 A S > - 0 0 2 -2,-0.3 4,-1.5 62,-0.2 5,-0.3 -0.978 22.1-120.3-138.8 154.5 -38.1 -3.2 -17.6 19 27 A S H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.926 109.3 42.1 -59.7 -53.5 -39.6 -3.7 -14.1 20 28 A Y H 4 S+ 0 0 7 105,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.867 116.2 49.5 -65.6 -35.9 -37.1 -5.9 -12.5 21 29 A Q H 4 S+ 0 0 1 1,-0.1 419,-2.0 35,-0.1 -1,-0.2 0.744 127.6 18.9 -74.3 -21.8 -34.1 -4.0 -13.9 22 30 A Y H < S+ 0 0 3 -4,-1.5 37,-2.4 -3,-0.4 35,-0.7 0.793 107.9 66.2-115.0 -43.0 -35.4 -0.5 -12.8 23 31 A E < - 0 0 9 -4,-2.4 37,-2.9 -5,-0.3 38,-0.4 0.819 56.9-178.8 -67.7 -45.1 -38.0 -0.5 -10.1 24 32 A G + 0 0 4 -5,-0.4 31,-0.3 -4,-0.3 -1,-0.2 -0.443 47.5 107.1 62.4-148.9 -36.5 -1.8 -6.9 25 33 A G > + 0 0 8 29,-0.5 3,-1.9 -2,-0.1 6,-0.2 0.859 45.0 166.5 44.4 41.3 -39.0 -2.0 -4.0 26 34 A A T 3 S+ 0 0 10 28,-1.5 -1,-0.1 1,-0.3 28,-0.1 0.840 75.6 28.5 -55.0 -40.4 -38.8 -5.7 -4.6 27 35 A A T 3 S+ 0 0 87 27,-0.2 -1,-0.3 3,-0.1 2,-0.3 -0.242 107.3 104.0-112.0 41.1 -40.6 -6.5 -1.3 28 36 A E S X S+ 0 0 71 -3,-1.9 3,-1.7 1,-0.2 -4,-0.0 -0.839 71.7 16.4-124.7 157.7 -42.6 -3.3 -1.1 29 37 A G T 3 S- 0 0 9 -2,-0.3 -1,-0.2 1,-0.3 75,-0.1 0.752 129.7 -59.1 51.9 27.7 -46.2 -2.4 -1.8 30 38 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.652 86.2 163.7 84.1 18.4 -47.2 -6.0 -1.6 31 39 A R < - 0 0 21 -3,-1.7 55,-0.3 -6,-0.2 -1,-0.2 -0.506 28.0-141.3 -74.1 135.9 -45.1 -7.3 -4.4 32 40 A G - 0 0 7 53,-2.7 53,-0.1 -2,-0.2 58,-0.1 -0.480 30.3 -89.4 -86.2 164.4 -44.6 -11.1 -4.5 33 41 A P - 0 0 74 0, 0.0 97,-2.0 0, 0.0 98,-0.5 -0.399 37.6-155.2 -75.8 152.6 -41.3 -12.7 -5.4 34 42 A S B >> -I 129 0B 0 95,-0.3 4,-2.2 96,-0.2 3,-0.6 -0.733 36.2 -97.2-115.3 172.5 -40.4 -13.5 -9.0 35 43 A I H 3> S+ 0 0 2 93,-2.9 4,-2.7 1,-0.3 92,-0.1 0.743 125.8 54.6 -62.7 -21.7 -38.0 -16.2 -10.3 36 44 A W H 3> S+ 0 0 0 92,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.795 104.1 53.1 -83.1 -31.1 -35.3 -13.5 -10.6 37 45 A D H <> S+ 0 0 14 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.984 116.2 40.8 -58.4 -56.6 -35.7 -12.5 -7.0 38 46 A T H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 5,-0.4 0.934 114.9 52.5 -52.4 -52.1 -35.2 -16.2 -6.2 39 47 A F H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 7,-0.2 0.888 110.8 44.9 -58.4 -46.7 -32.4 -16.6 -8.8 40 48 A T H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 117.8 42.8 -68.7 -37.9 -30.3 -13.6 -7.6 41 49 A H H < S+ 0 0 91 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.878 122.0 36.9 -75.9 -38.6 -30.5 -14.4 -3.8 42 50 A Q H < S+ 0 0 127 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.738 127.4 33.8 -87.7 -26.2 -30.0 -18.2 -4.1 43 51 A H >< + 0 0 77 -4,-1.9 3,-2.4 -5,-0.4 4,-0.2 -0.357 63.6 151.4-127.2 57.0 -27.5 -18.3 -6.9 44 52 A P G > S+ 0 0 24 0, 0.0 3,-1.3 0, 0.0 6,-0.5 0.705 70.2 69.4 -59.8 -20.6 -25.4 -15.1 -6.4 45 53 A E G 3 S+ 0 0 116 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.1 0.648 91.1 61.2 -70.4 -17.7 -22.4 -16.9 -8.1 46 54 A K G < S+ 0 0 49 -3,-2.4 2,-0.5 -7,-0.2 -1,-0.3 0.475 93.4 74.8 -88.1 -4.1 -24.4 -16.7 -11.3 47 55 A I S X S- 0 0 4 -3,-1.3 3,-2.5 -4,-0.2 397,-0.2 -0.956 84.9-132.1-111.6 126.0 -24.4 -12.9 -11.2 48 56 A A T 3 S+ 0 0 65 395,-2.8 396,-0.1 -2,-0.5 -1,-0.1 0.783 107.3 24.9 -48.2 -40.6 -21.0 -11.2 -12.0 49 57 A D T 3 S- 0 0 55 394,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.053 109.3-114.7-112.9 20.5 -21.0 -8.9 -9.0 50 58 A R S < S+ 0 0 156 -3,-2.5 -2,-0.1 -6,-0.5 2,-0.1 0.801 70.5 142.3 52.1 35.5 -23.3 -11.1 -6.8 51 59 A S - 0 0 20 -7,-0.1 2,-0.3 392,-0.1 -1,-0.2 -0.395 34.2-159.0-102.5 177.7 -26.0 -8.4 -6.9 52 60 A N - 0 0 44 -2,-0.1 4,-0.5 -3,-0.1 3,-0.4 -0.871 33.0-103.3-145.2 177.8 -29.8 -8.3 -7.1 53 61 A G S S+ 0 0 2 -2,-0.3 -29,-0.3 1,-0.2 -27,-0.2 0.072 75.7 117.9 -96.6 24.1 -32.7 -6.2 -8.1 54 62 A D S S+ 0 0 66 1,-0.2 -28,-1.5 -29,-0.1 -29,-0.5 0.917 102.2 0.3 -52.8 -50.3 -33.8 -5.3 -4.5 55 63 A V S > S+ 0 0 48 -3,-0.4 3,-2.8 -31,-0.3 5,-0.2 0.726 87.5 161.6-107.0 -37.4 -33.2 -1.6 -5.1 56 64 A A T 3 S- 0 0 3 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.243 81.4 -25.3 46.1-122.9 -32.0 -1.6 -8.7 57 65 A S T 3 S- 0 0 0 -35,-0.7 -1,-0.3 -36,-0.2 -34,-0.2 0.271 84.6-123.1 -99.0 9.8 -32.4 2.0 -10.0 58 66 A D X> + 0 0 2 -3,-2.8 4,-2.8 1,-0.1 3,-1.5 0.735 58.8 150.7 58.0 27.6 -35.2 2.7 -7.4 59 67 A S H 3> + 0 0 4 -37,-2.4 4,-1.3 1,-0.3 -36,-0.2 0.714 61.8 72.9 -61.9 -21.8 -37.7 3.7 -10.2 60 68 A Y H 34 S+ 0 0 26 -37,-2.9 -1,-0.3 -38,-0.3 -36,-0.1 0.867 116.1 21.3 -61.1 -35.2 -40.4 2.5 -7.9 61 69 A H H <4 S+ 0 0 30 -3,-1.5 3,-0.4 -38,-0.4 447,-0.3 0.771 130.5 46.1 -94.3 -35.3 -39.7 5.7 -5.9 62 70 A L H >X + 0 0 8 -4,-2.8 4,-1.4 -39,-0.2 3,-1.2 0.226 69.3 116.9-100.2 13.0 -38.0 7.8 -8.5 63 71 A Y H 3X S+ 0 0 28 -4,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.754 72.0 61.6 -57.7 -29.1 -40.3 7.4 -11.5 64 72 A K H 3> S+ 0 0 111 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.881 103.9 49.1 -64.0 -37.7 -41.2 11.1 -11.6 65 73 A E H <> S+ 0 0 61 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.857 108.3 55.3 -66.8 -36.8 -37.5 11.9 -12.2 66 74 A D H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.908 108.4 46.5 -60.4 -44.8 -37.5 9.4 -15.0 67 75 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.929 111.7 51.8 -66.0 -44.2 -40.4 11.0 -16.7 68 76 A R H X S+ 0 0 111 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.891 109.3 51.0 -54.1 -44.7 -38.7 14.4 -16.3 69 77 A L H X S+ 0 0 5 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.854 112.0 45.7 -64.7 -39.8 -35.5 13.0 -17.8 70 78 A M H X>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 4,-1.0 0.836 112.7 51.2 -67.6 -39.7 -37.3 11.6 -20.9 71 79 A K H ><5S+ 0 0 94 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.937 103.3 57.0 -69.6 -45.3 -39.2 14.8 -21.3 72 80 A D H 3<5S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.9 49.1 -51.1 -34.0 -36.1 17.0 -21.2 73 81 A M H 3<5S- 0 0 8 -4,-0.8 403,-0.3 -5,-0.2 -1,-0.3 0.757 116.6-116.6 -78.1 -26.2 -34.8 14.9 -24.1 74 82 A G T <<5 + 0 0 28 -4,-1.0 -3,-0.2 -3,-0.9 -61,-0.1 0.682 49.0 174.4 94.0 23.5 -38.0 15.3 -26.1 75 83 A M < - 0 0 4 -5,-2.3 -61,-0.2 1,-0.1 -1,-0.2 -0.348 24.2-157.8 -62.4 140.4 -38.9 11.6 -26.1 76 84 A D S S+ 0 0 38 -63,-2.8 42,-2.8 1,-0.2 2,-0.3 0.782 70.5 17.4 -84.0 -36.2 -42.4 10.7 -27.6 77 85 A A E -bc 14 118A 0 -64,-1.4 -62,-1.2 40,-0.3 2,-0.4 -0.949 58.2-144.3-144.4 156.2 -42.8 7.4 -25.9 78 86 A Y E -bc 15 119A 7 40,-2.4 42,-3.1 -2,-0.3 2,-0.7 -0.992 10.3-153.9-125.0 127.2 -41.7 5.2 -23.0 79 87 A R E +bc 16 120A 0 -64,-3.0 -62,-2.8 -2,-0.4 2,-0.3 -0.908 32.3 152.1 -98.5 116.3 -41.4 1.4 -23.2 80 88 A F E - c 0 121A 4 40,-2.5 42,-3.0 -2,-0.7 2,-0.4 -0.877 33.8-127.6-135.2 172.0 -41.7 -0.2 -19.8 81 89 A S E - c 0 122A 1 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.929 13.4-131.0-124.1 149.2 -42.9 -3.4 -18.2 82 90 A I - 0 0 0 40,-2.1 2,-0.8 -2,-0.4 43,-0.3 -0.774 26.2-122.0 -93.7 138.1 -45.4 -4.3 -15.5 83 91 A S >> - 0 0 0 -2,-0.4 3,-1.9 1,-0.2 4,-1.2 -0.767 13.4-150.8 -83.3 111.4 -44.3 -6.7 -12.8 84 92 A W H >> S+ 0 0 0 -2,-0.8 4,-3.7 39,-0.3 3,-0.7 0.869 97.7 49.2 -41.2 -50.0 -46.7 -9.6 -12.8 85 93 A T H 34 S+ 0 0 0 42,-0.5 -53,-2.7 1,-0.3 -1,-0.3 0.509 101.6 62.1 -80.8 -3.9 -46.1 -10.2 -9.0 86 94 A R H <4 S+ 0 0 0 -3,-1.9 15,-0.3 -55,-0.3 -1,-0.3 0.741 118.2 29.8 -80.9 -26.8 -46.7 -6.5 -8.3 87 95 A I H << S+ 0 0 0 -4,-1.2 11,-3.0 -3,-0.7 -2,-0.2 0.861 138.2 23.4 -93.4 -48.1 -50.2 -7.1 -9.7 88 96 A L S >< S- 0 0 0 -4,-3.7 3,-2.8 9,-0.2 -1,-0.2 -0.857 73.7-162.7-118.9 88.9 -50.7 -10.8 -8.7 89 97 A P T 3 S+ 0 0 28 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 0.794 92.2 27.8 -49.8 -34.0 -48.3 -11.4 -5.8 90 98 A N T 3 S- 0 0 69 6,-0.3 2,-0.5 2,-0.3 -5,-0.1 0.050 116.2-106.9-118.9 32.1 -48.6 -15.2 -6.3 91 99 A G S < S+ 0 0 0 -3,-2.8 2,-0.3 -7,-0.2 60,-0.1 -0.079 86.3 79.9 91.8 -34.7 -49.3 -15.3 -10.0 92 100 A S S S- 0 0 8 -2,-0.5 3,-0.4 1,-0.1 -2,-0.3 -0.730 79.0-117.7-112.2 157.0 -53.0 -16.2 -10.1 93 101 A L S > S+ 0 0 85 -2,-0.3 3,-2.7 1,-0.2 -1,-0.1 0.933 114.1 54.9 -48.4 -53.4 -56.3 -14.4 -9.7 94 102 A R T 3 S+ 0 0 184 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.787 96.1 67.4 -62.2 -25.6 -57.3 -16.6 -6.7 95 103 A G T 3 S- 0 0 31 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.522 118.5 -99.9 -65.8 -7.2 -54.0 -15.6 -5.0 96 104 A G < - 0 0 32 -3,-2.7 2,-0.5 -4,-0.2 -6,-0.3 0.185 25.7 -95.5 99.6 144.5 -55.5 -12.0 -4.8 97 105 A V - 0 0 60 -9,-0.1 2,-0.9 -3,-0.1 -9,-0.2 -0.842 32.7-133.8 -95.7 124.8 -55.1 -8.7 -6.7 98 106 A N >> - 0 0 23 -11,-3.0 4,-1.5 -2,-0.5 3,-0.6 -0.690 17.4-170.7 -85.0 104.3 -52.6 -6.3 -5.3 99 107 A K H 3> S+ 0 0 159 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.879 84.5 55.7 -59.7 -45.1 -54.3 -2.8 -5.2 100 108 A E H 3> S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.777 105.4 53.9 -62.3 -28.7 -51.1 -0.9 -4.3 101 109 A G H <> S+ 0 0 0 -3,-0.6 4,-1.8 -15,-0.3 -1,-0.2 0.902 107.5 49.3 -70.4 -44.1 -49.4 -2.4 -7.4 102 110 A I H X S+ 0 0 11 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.895 109.0 54.3 -59.7 -41.7 -52.2 -1.1 -9.6 103 111 A K H X S+ 0 0 132 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.904 105.0 53.8 -59.7 -44.7 -51.9 2.3 -8.0 104 112 A Y H X S+ 0 0 13 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.942 111.1 43.2 -58.0 -50.8 -48.1 2.4 -8.8 105 113 A Y H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.872 112.2 54.0 -68.1 -35.3 -48.6 1.7 -12.5 106 114 A N H X S+ 0 0 32 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.930 109.7 49.0 -57.1 -46.9 -51.6 4.2 -12.7 107 115 A N H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.913 112.8 47.0 -57.1 -45.1 -49.3 6.8 -11.2 108 116 A L H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 115.3 45.3 -62.9 -49.3 -46.6 6.0 -13.7 109 117 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.937 114.5 47.5 -61.1 -50.1 -49.0 6.1 -16.6 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4,-1.1 0, 0.0 3,-0.3 -0.347 24.4-149.4 -63.6 131.4 -44.0 -15.5 -10.5 130 138 A Q H > S+ 0 0 29 -97,-2.0 4,-2.7 1,-0.2 5,-0.2 0.846 97.3 60.9 -65.5 -35.4 -42.0 -17.7 -8.0 131 139 A A H > S+ 0 0 33 -98,-0.5 4,-1.8 -42,-0.3 -1,-0.2 0.840 106.3 45.3 -62.3 -34.2 -45.3 -19.1 -6.7 132 140 A L H > S+ 0 0 2 -3,-0.3 6,-2.2 2,-0.2 4,-1.9 0.716 110.5 54.8 -81.0 -22.4 -46.2 -20.4 -10.1 133 141 A E H X S+ 0 0 15 -4,-1.1 4,-1.9 4,-0.3 -2,-0.2 0.918 113.2 41.9 -69.5 -46.4 -42.6 -21.8 -10.5 134 142 A D H < S+ 0 0 121 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.852 117.0 49.0 -64.5 -41.2 -43.0 -23.7 -7.2 135 143 A K H < S- 0 0 124 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.916 139.8 -12.8 -71.1 -48.3 -46.5 -24.8 -8.0 136 144 A Y H < S- 0 0 31 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.145 97.3 -90.7-146.7 25.7 -46.1 -26.2 -11.5 137 145 A N >< - 0 0 72 -4,-1.9 3,-2.3 -7,-0.1 -4,-0.3 0.841 58.2-114.6 62.4 36.0 -42.6 -25.1 -12.9 138 146 A G G > S+ 0 0 0 -6,-2.2 3,-1.7 1,-0.3 6,-0.4 -0.107 94.4 13.6 50.5-119.1 -43.9 -21.9 -14.5 139 147 A F G 3 S+ 0 0 0 1,-0.3 74,-0.3 5,-0.1 -1,-0.3 0.436 114.1 75.1 -74.7 -0.0 -43.7 -21.9 -18.3 140 148 A L G < S+ 0 0 29 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.566 92.0 67.3 -84.1 -7.1 -43.0 -25.6 -18.4 141 149 A S S X S- 0 0 16 -3,-1.7 3,-1.9 -4,-0.1 4,-0.3 -0.922 80.7-134.7-115.5 137.6 -46.7 -26.2 -17.7 142 150 A P T >> S+ 0 0 77 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.591 99.6 80.4 -62.4 -7.7 -49.7 -25.3 -19.9 143 151 A N H 3> S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.705 76.5 71.5 -68.7 -22.4 -51.3 -23.9 -16.7 144 152 A I H <> S+ 0 0 0 -3,-1.9 4,-2.9 -6,-0.4 5,-0.2 0.808 85.4 68.0 -63.0 -31.1 -49.2 -20.7 -17.2 145 153 A I H <> S+ 0 0 16 -3,-0.9 4,-2.5 -4,-0.3 -1,-0.2 0.938 103.9 39.5 -57.2 -54.8 -51.4 -19.8 -20.2 146 154 A N H X S+ 0 0 89 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.844 115.0 52.1 -66.8 -37.8 -54.5 -19.0 -18.2 147 155 A D H X S+ 0 0 14 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.918 112.9 45.7 -63.9 -43.1 -52.7 -17.4 -15.3 148 156 A F H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.910 111.9 52.4 -61.9 -43.7 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0.870 135.6 13.8 -80.6 -34.8 -57.0 -1.3 -15.1 159 167 A F H >X5S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 3,-2.1 0.645 95.5 93.0-118.7 -21.3 -54.9 0.6 -17.7 160 168 A G T 3< - 0 0 15 69,-1.2 4,-2.2 -2,-0.5 -1,-0.2 0.891 61.0-175.6 39.8 65.1 -37.4 -11.6 -26.1 172 180 A P H > S+ 0 0 2 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.848 82.2 62.4 -55.3 -31.3 -38.8 -15.1 -25.6 173 181 A W H > S+ 0 0 50 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.955 106.1 42.4 -52.9 -56.0 -35.6 -16.3 -27.3 174 182 A T H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.919 115.5 50.4 -61.0 -45.1 -33.4 -14.9 -24.5 175 183 A F H X S+ 0 0 3 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.921 118.5 36.6 -59.6 -47.1 -35.8 -16.1 -21.8 176 184 A a H X>S+ 0 0 0 -4,-3.0 4,-1.8 3,-0.2 5,-0.7 0.928 119.2 46.2 -76.1 -46.7 -35.9 -19.7 -23.2 177 185 A S H X>S+ 0 0 5 -4,-3.3 5,-2.6 -5,-0.3 4,-1.1 0.933 124.0 33.0 -62.5 -47.1 -32.3 -20.1 -24.3 178 186 A N H <5S+ 0 0 34 -4,-2.3 7,-2.2 -5,-0.4 6,-0.6 0.794 122.6 46.4 -81.5 -29.7 -30.8 -18.6 -21.1 179 187 A G H <5S+ 0 0 0 -4,-1.5 10,-2.5 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D H X S+ 0 0 45 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.894 113.5 49.3 -66.1 -39.3 -51.1 20.5 13.9 630 159 B Y H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.949 111.6 48.5 -59.4 -53.0 -48.0 18.5 13.0 631 160 B A H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.897 108.3 55.0 -55.5 -46.5 -47.8 17.0 16.4 632 161 B E H X S+ 0 0 30 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.864 104.1 53.3 -56.9 -42.7 -51.5 16.0 16.4 633 162 B I H X S+ 0 0 14 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.906 109.2 50.1 -60.1 -39.9 -51.1 14.1 13.2 634 163 B C H X>S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.7 0.880 111.4 47.4 -67.2 -38.2 -48.3 12.1 14.8 635 164 B F H X5S+ 0 0 0 -4,-2.1 4,-1.0 3,-0.2 -2,-0.2 0.897 115.9 45.8 -67.3 -40.1 -50.4 11.4 17.9 636 165 B K H <5S+ 0 0 131 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.870 121.4 37.2 -66.1 -40.6 -53.3 10.3 15.6 637 166 B E H <5S+ 0 0 75 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.856 135.7 12.2 -86.3 -36.0 -51.2 8.2 13.3 638 167 B F H >X5S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 3,-2.1 0.582 94.8 95.3-120.8 -17.1 -48.7 6.6 15.6 639 168 B G T 3< - 0 0 12 69,-0.9 4,-2.3 -2,-0.5 3,-0.3 0.852 61.5-175.6 41.5 61.0 -31.7 20.6 21.8 651 180 B P H > S+ 0 0 1 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.816 82.0 62.7 -52.2 -30.1 -33.5 24.0 21.4 652 181 B W H > S+ 0 0 46 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.966 106.3 41.6 -57.3 -55.3 -30.2 25.5 22.7 653 182 B T H >>S+ 0 0 10 -3,-0.3 4,-2.1 1,-0.2 5,-0.5 0.931 115.3 52.4 -59.9 -43.7 -28.2 24.2 19.7 654 183 B F H X5S+ 0 0 3 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.925 117.8 35.5 -60.5 -47.7 -31.0 25.1 17.4 655 184 B c H X>S+ 0 0 0 -4,-3.1 4,-1.9 3,-0.2 5,-0.7 0.917 120.5 45.0 -74.5 -45.0 -31.3 28.7 18.6 656 185 B S H X>S+ 0 0 8 -4,-3.2 5,-2.6 -5,-0.3 4,-1.3 0.950 123.0 34.8 -66.2 -50.0 -27.7 29.5 19.3 657 186 B N H <5S+ 0 0 35 -4,-2.1 7,-2.3 -5,-0.4 6,-0.7 0.800 124.1 43.5 -73.8 -29.2 -26.3 28.0 16.0 658 187 B G H < S- 0 0 19 -7,-2.3 3,-2.5 4,-0.2 4,-0.3 -0.832 104.4 -44.2-119.6 158.7 -26.5 26.0 11.3 665 194 B A T 3 S+ 0 0 1 1,-0.4 -150,-0.1 -2,-0.3 -1,-0.1 -0.265 123.7 36.2 -51.1 147.6 -29.7 26.3 9.4 666 195 B P T 3 S- 0 0 27 0, 0.0 -1,-0.4 0, 0.0 -8,-0.1 -0.958 93.0-147.6 -72.7 6.9 -31.6 28.7 9.0 667 196 B G < + 0 0 14 -3,-2.5 2,-0.4 1,-0.2 12,-0.3 0.932 36.9 155.4 62.2 51.6 -28.2 30.5 8.9 668 197 B R + 0 0 34 -10,-2.6 -6,-0.3 -4,-0.3 2,-0.3 -0.861 6.7 128.2-107.4 144.5 -29.2 33.8 10.5 669 198 B d - 0 0 1 10,-2.2 -9,-0.1 -2,-0.4 -8,-0.1 -0.962 58.6 -77.2-176.8 166.9 -26.9 36.2 12.4 670 199 B S > - 0 0 4 -10,-0.5 3,-2.0 -2,-0.3 7,-0.4 -0.535 52.2-109.6 -74.0 148.0 -25.6 39.7 12.8 671 200 B P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.828 116.9 51.5 -52.3 -39.3 -23.1 40.7 10.1 672 201 B W T 3 S+ 0 0 122 4,-0.1 136,-0.0 3,-0.1 -2,-0.0 0.603 93.3 98.6 -73.8 -14.8 -20.1 40.7 12.5 673 202 B E S X S- 0 0 27 -3,-2.0 3,-1.6 4,-0.1 -12,-0.1 -0.229 92.1 -94.0 -74.1 167.2 -20.9 37.2 13.9 674 203 B K T 3 S+ 0 0 149 1,-0.3 -12,-0.1 2,-0.1 -13,-0.1 0.818 119.6 53.4 -49.6 -49.0 -19.3 34.0 12.7 675 204 B G T 3 S- 0 0 11 -14,-2.3 -1,-0.3 -15,-0.1 -13,-0.1 0.638 91.5-144.7 -68.7 -14.7 -21.7 32.9 10.0 676 205 B N < - 0 0 124 -3,-1.6 -2,-0.1 -6,-0.3 -1,-0.1 0.867 33.1-171.7 52.8 42.4 -21.3 36.3 8.3 677 206 B d - 0 0 12 -7,-0.4 -1,-0.1 -16,-0.1 -9,-0.1 -0.146 33.9-134.6 -71.8 157.8 -25.0 36.0 7.4 678 207 B S S S+ 0 0 123 -11,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.743 89.7 29.9 -80.4 -25.5 -26.9 38.3 5.1 679 208 B V S S+ 0 0 79 -12,-0.3 -10,-2.2 -9,-0.1 2,-0.2 -0.961 85.7 59.9-135.9 149.2 -29.9 38.5 7.4 680 209 B G - 0 0 26 -2,-0.3 2,-0.2 -12,-0.3 -20,-0.1 -0.699 54.8-112.0 132.6-177.7 -30.5 38.4 11.2 681 210 B D >> - 0 0 53 -22,-0.4 4,-2.2 -2,-0.2 3,-1.3 -0.761 12.5-161.6-161.4 102.7 -29.8 39.7 14.7 682 211 B S T 34 S+ 0 0 0 1,-0.3 129,-2.9 -2,-0.2 130,-0.2 0.499 90.1 55.9 -70.6 -5.4 -27.8 37.6 17.1 683 212 B G T 34 S+ 0 0 0 127,-0.3 -1,-0.3 126,-0.1 127,-0.2 0.482 123.5 16.8-104.9 -9.2 -29.1 39.6 20.1 684 213 B R T <> S+ 0 0 113 -3,-1.3 4,-1.9 -25,-0.2 3,-0.5 0.629 113.7 63.0-126.3 -47.9 -32.8 39.2 19.6 685 214 B E H X S+ 0 0 29 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.881 97.8 55.9 -58.3 -46.5 -33.6 36.3 17.2 686 215 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.903 112.3 45.1 -51.0 -41.2 -32.1 33.4 19.3 687 216 B Y H > S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.841 112.9 49.4 -73.2 -37.3 -34.5 34.5 22.1 688 217 B T H X S+ 0 0 43 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.950 112.6 48.5 -64.9 -47.6 -37.5 34.9 19.9 689 218 B A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.950 115.9 41.3 -56.9 -54.0 -36.9 31.5 18.3 690 219 B c H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.805 110.4 57.3 -72.0 -28.9 -36.5 29.6 21.5 691 220 B H H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.926 108.3 48.1 -62.1 -44.4 -39.3 31.5 23.2 692 221 B H H X S+ 0 0 20 -4,-2.3 4,-2.2 -74,-0.3 -2,-0.2 0.829 108.8 54.7 -64.4 -31.7 -41.6 30.2 20.4 693 222 B Q H X S+ 0 0 4 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.924 107.2 49.8 -67.0 -44.1 -40.2 26.7 20.9 694 223 B L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.875 112.4 47.2 -60.4 -42.1 -41.1 26.7 24.5 695 224 B L H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.893 113.0 48.3 -68.1 -38.9 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