==== 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 3PTM . 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) . 35677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 11.3 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 . 2 0.2 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 . 60 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 32.0 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 4 4 0 0 0 2 2 2 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 10 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 0 164 0, 0.0 5,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 153.5 -27.1 15.8 -40.2 2 10 A V + 0 0 20 3,-0.1 2,-0.3 4,-0.1 414,-0.1 -0.284 360.0 150.5 -63.1 136.8 -29.6 13.1 -39.2 3 11 A S > - 0 0 7 412,-0.1 3,-1.2 473,-0.1 4,-0.5 -0.854 64.2 -80.3-147.9-178.7 -32.5 14.2 -36.9 4 12 A R G > S+ 0 0 37 471,-2.8 3,-1.3 -2,-0.3 7,-0.1 0.828 125.3 65.0 -55.5 -34.3 -36.1 13.4 -36.1 5 13 A R G 3 S+ 0 0 134 472,-0.3 -1,-0.2 470,-0.3 -3,-0.1 0.717 91.6 62.0 -66.9 -23.7 -37.0 15.5 -39.2 6 14 A S G < S+ 0 0 44 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.746 96.2 77.7 -68.6 -25.6 -35.2 13.0 -41.5 7 15 A F S < S- 0 0 10 -3,-1.3 3,-0.1 -4,-0.5 4,-0.1 -0.415 98.0 -81.0 -88.0 160.5 -37.7 10.3 -40.3 8 16 A P > - 0 0 62 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.181 57.2 -87.4 -59.7 152.6 -41.3 9.9 -41.5 9 17 A K T 3 S+ 0 0 217 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.364 114.8 19.9 -60.2 133.9 -44.1 12.1 -40.0 10 18 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.498 84.4 155.6 82.7 4.7 -45.5 10.6 -36.8 11 19 A F < - 0 0 12 -3,-1.7 2,-0.5 -7,-0.1 -1,-0.3 -0.473 39.8-129.4 -66.3 132.0 -42.5 8.4 -36.3 12 20 A I E -a 430 0A 19 417,-1.8 419,-2.9 -2,-0.2 2,-0.4 -0.736 22.5-170.9 -95.1 124.6 -42.3 7.5 -32.6 13 21 A F E +a 431 0A 2 -2,-0.5 63,-2.7 417,-0.2 64,-1.6 -0.955 23.8 137.3-112.3 135.1 -39.0 7.9 -30.6 14 22 A G E -ab 432 77A 2 417,-2.6 419,-2.6 -2,-0.4 2,-0.3 -0.882 43.1-109.4-154.5-176.8 -38.7 6.6 -27.1 15 23 A T E -ab 433 78A 0 62,-1.1 64,-3.1 417,-0.3 2,-0.3 -0.855 28.3-132.7-121.3 163.6 -36.6 4.8 -24.5 16 24 A A E +ab 434 79A 0 417,-2.8 420,-1.2 -2,-0.3 419,-0.5 -0.907 25.6 162.2-122.8 146.4 -37.0 1.3 -23.0 17 25 A S - 0 0 4 62,-2.4 2,-0.3 -2,-0.3 422,-0.0 -0.907 21.1-140.5-144.7 171.6 -37.0 -0.1 -19.4 18 26 A S > - 0 0 2 -2,-0.3 4,-1.6 62,-0.2 5,-0.4 -0.982 22.4-119.5-138.7 155.6 -38.1 -3.1 -17.5 19 27 A S H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.4 0.926 109.0 41.3 -56.7 -57.9 -39.6 -3.7 -14.0 20 28 A Y H 4 S+ 0 0 6 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.829 117.1 49.9 -65.2 -30.2 -37.0 -5.9 -12.3 21 29 A Q H 4 S+ 0 0 2 1,-0.1 419,-1.9 35,-0.1 36,-0.3 0.776 126.8 19.1 -78.3 -28.0 -34.1 -3.8 -13.8 22 30 A Y H < S+ 0 0 4 -4,-1.6 37,-2.4 -3,-0.4 35,-0.8 0.817 110.5 63.4-109.6 -46.5 -35.4 -0.4 -12.8 23 31 A E < + 0 0 9 -4,-2.3 37,-2.7 -5,-0.4 38,-0.4 0.862 56.7 177.8 -64.5 -52.2 -38.0 -0.4 -10.0 24 32 A G + 0 0 4 -5,-0.4 31,-0.3 29,-0.3 -1,-0.1 -0.488 45.4 109.2 66.3-149.6 -36.5 -1.8 -6.8 25 33 A G > + 0 0 8 29,-0.6 3,-1.8 -2,-0.1 6,-0.2 0.885 46.2 165.8 45.9 41.8 -39.0 -1.8 -3.9 26 34 A A T 3 S+ 0 0 11 28,-1.4 -1,-0.1 1,-0.3 29,-0.1 0.776 73.7 27.9 -61.6 -34.2 -38.9 -5.6 -4.5 27 35 A A T 3 S+ 0 0 87 27,-0.2 2,-0.3 3,-0.1 -1,-0.3 -0.120 108.1 101.1-116.4 33.9 -40.6 -6.5 -1.2 28 36 A E S X S+ 0 0 66 -3,-1.8 3,-1.4 1,-0.2 -4,-0.0 -0.838 73.3 19.7-120.2 152.2 -42.5 -3.2 -1.0 29 37 A G T 3 S- 0 0 8 -2,-0.3 -1,-0.2 1,-0.3 72,-0.1 0.743 129.7 -60.8 62.8 25.2 -46.1 -2.4 -1.7 30 38 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.579 85.7 163.6 82.1 12.5 -47.2 -6.0 -1.5 31 39 A R < - 0 0 20 -3,-1.4 55,-0.3 -6,-0.2 -1,-0.2 -0.457 28.5-141.9 -67.0 128.7 -45.0 -7.3 -4.3 32 40 A G - 0 0 7 53,-2.6 53,-0.1 -2,-0.2 2,-0.1 -0.463 30.9 -88.8 -82.1 161.5 -44.5 -11.0 -4.3 33 41 A P - 0 0 72 0, 0.0 97,-2.1 0, 0.0 98,-0.5 -0.451 38.6-154.1 -74.5 144.9 -41.1 -12.6 -5.2 34 42 A S B >> -I 129 0B 0 95,-0.3 4,-1.8 96,-0.2 3,-0.5 -0.603 35.7 -97.8-104.6 173.8 -40.3 -13.4 -8.9 35 43 A I H 3> S+ 0 0 2 93,-3.0 4,-2.5 1,-0.2 5,-0.1 0.742 125.1 56.6 -63.8 -23.8 -37.9 -16.0 -10.2 36 44 A W H 3> S+ 0 0 0 92,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.785 102.9 53.0 -79.3 -29.5 -35.3 -13.3 -10.6 37 45 A D H <> S+ 0 0 13 -3,-0.5 4,-1.7 2,-0.2 5,-0.2 0.938 115.4 42.2 -62.1 -48.5 -35.6 -12.4 -6.8 38 46 A T H X S+ 0 0 44 -4,-1.8 4,-3.1 2,-0.2 5,-0.4 0.933 114.3 50.1 -63.3 -49.8 -34.9 -16.1 -6.0 39 47 A F H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 7,-0.2 0.889 112.7 46.1 -58.4 -44.1 -32.2 -16.5 -8.6 40 48 A T H < S+ 0 0 2 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.854 119.9 38.4 -72.1 -36.0 -30.2 -13.5 -7.5 41 49 A H H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.9 39.6 -81.5 -40.7 -30.4 -14.2 -3.8 42 50 A Q H < S+ 0 0 134 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.692 128.1 32.2 -84.3 -22.1 -30.0 -18.0 -3.9 43 51 A H >< + 0 0 76 -4,-1.6 3,-2.1 -5,-0.4 4,-0.3 -0.419 64.4 154.7-132.6 60.8 -27.4 -18.0 -6.6 44 52 A P G > S+ 0 0 26 0, 0.0 3,-1.3 0, 0.0 6,-0.5 0.729 71.1 68.0 -61.3 -22.6 -25.3 -14.8 -6.2 45 53 A E G 3 S+ 0 0 111 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.618 89.5 64.3 -71.4 -14.7 -22.3 -16.5 -7.9 46 54 A K G < S+ 0 0 46 -3,-2.1 2,-0.4 -7,-0.2 -1,-0.3 0.556 92.7 75.4 -82.9 -12.0 -24.4 -16.4 -11.1 47 55 A I S X S- 0 0 3 -3,-1.3 3,-1.6 -4,-0.3 397,-0.2 -0.894 84.9-132.2-104.2 132.8 -24.3 -12.6 -11.0 48 56 A A T 3 S+ 0 0 63 395,-2.3 396,-0.1 -2,-0.4 -1,-0.1 0.811 107.6 24.4 -52.7 -39.4 -21.0 -10.9 -12.0 49 57 A D T 3 S- 0 0 58 394,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.077 109.2-113.3-115.6 20.4 -21.0 -8.6 -8.9 50 58 A R S < S+ 0 0 160 -3,-1.6 2,-0.1 -6,-0.5 -5,-0.1 0.765 71.7 141.7 53.5 33.0 -23.2 -10.8 -6.7 51 59 A S - 0 0 20 -7,-0.1 2,-0.3 392,-0.1 -1,-0.2 -0.379 35.2-157.6-102.3 176.3 -25.9 -8.2 -6.8 52 60 A N - 0 0 42 -2,-0.1 4,-0.5 -3,-0.1 3,-0.4 -0.861 32.2-106.7-143.6 175.7 -29.7 -8.1 -7.0 53 61 A G S S+ 0 0 1 -2,-0.3 -29,-0.3 1,-0.2 -27,-0.2 0.061 75.9 117.4 -97.2 24.0 -32.7 -6.0 -8.0 54 62 A D S S+ 0 0 62 1,-0.1 -28,-1.4 -29,-0.1 -29,-0.6 0.899 102.2 1.2 -53.9 -45.7 -33.8 -5.2 -4.4 55 63 A V S > S+ 0 0 48 -3,-0.4 3,-2.5 -31,-0.3 5,-0.2 0.716 88.4 161.2-111.4 -38.3 -33.2 -1.5 -5.0 56 64 A A T 3 S- 0 0 3 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.270 81.0 -25.2 50.5-125.6 -32.0 -1.4 -8.6 57 65 A S T 3 S- 0 0 0 -35,-0.8 -1,-0.3 -36,-0.3 -34,-0.2 0.295 86.6-123.3 -97.3 8.1 -32.4 2.1 -10.0 58 66 A D X> + 0 0 2 -3,-2.5 4,-2.5 1,-0.1 3,-1.4 0.772 57.4 152.6 57.6 33.9 -35.2 2.8 -7.4 59 67 A S H 3> + 0 0 3 -37,-2.4 4,-1.1 1,-0.3 -36,-0.2 0.629 60.2 75.6 -69.2 -14.0 -37.7 3.8 -10.0 60 68 A Y H 34 S+ 0 0 26 -37,-2.7 -1,-0.3 -38,-0.3 -36,-0.1 0.845 115.9 19.8 -63.7 -32.9 -40.5 2.6 -7.7 61 69 A H H <4 S+ 0 0 32 -3,-1.4 3,-0.4 -38,-0.4 447,-0.3 0.751 131.1 46.9 -99.7 -33.7 -39.9 5.8 -5.8 62 70 A L H >X + 0 0 8 -4,-2.5 4,-1.4 -39,-0.2 3,-1.4 0.236 70.0 115.2 -99.7 12.0 -38.1 7.9 -8.4 63 71 A Y H 3X S+ 0 0 23 -4,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.778 72.7 60.8 -55.1 -32.3 -40.4 7.3 -11.5 64 72 A K H 3> S+ 0 0 109 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.836 103.9 50.0 -65.3 -33.1 -41.3 11.0 -11.6 65 73 A E H <> S+ 0 0 64 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.862 107.4 55.0 -69.1 -38.3 -37.7 11.9 -12.1 66 74 A D H X S+ 0 0 4 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.925 108.6 47.4 -58.5 -47.2 -37.5 9.3 -15.0 67 75 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.892 112.0 50.4 -63.2 -41.2 -40.5 11.0 -16.7 68 76 A R H X S+ 0 0 113 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.915 110.1 51.1 -60.1 -45.5 -38.8 14.4 -16.3 69 77 A L H X S+ 0 0 3 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.871 112.9 43.4 -61.3 -43.5 -35.6 13.0 -17.7 70 78 A M H X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.8 0.813 113.1 52.4 -75.1 -31.4 -37.2 11.6 -20.9 71 79 A K H ><5S+ 0 0 95 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.897 102.7 59.1 -68.7 -41.6 -39.4 14.7 -21.4 72 80 A D H 3<5S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 107.6 47.5 -51.4 -36.1 -36.2 16.9 -21.2 73 81 A M H 3<5S- 0 0 7 -4,-0.8 403,-0.3 -5,-0.1 -1,-0.2 0.721 117.5-114.9 -79.7 -24.7 -34.9 14.9 -24.2 74 82 A G T <<5 + 0 0 26 -4,-0.8 -3,-0.2 -3,-0.6 -61,-0.1 0.725 49.7 174.1 92.1 27.7 -38.2 15.3 -26.1 75 83 A M < - 0 0 3 -5,-2.3 -61,-0.2 1,-0.1 -1,-0.2 -0.415 24.3-157.9 -67.1 139.8 -39.1 11.5 -26.1 76 84 A D S S+ 0 0 40 -63,-2.7 42,-2.8 1,-0.2 2,-0.3 0.799 70.8 17.8 -85.0 -34.6 -42.5 10.7 -27.6 77 85 A A E -bc 14 118A 0 -64,-1.6 -62,-1.1 40,-0.3 2,-0.4 -0.918 58.9-144.5-142.9 160.4 -42.9 7.3 -25.9 78 86 A Y E -bc 15 119A 7 40,-2.7 42,-3.2 -2,-0.3 2,-0.7 -0.994 9.2-152.4-131.8 124.7 -41.7 5.1 -23.0 79 87 A R E +bc 16 120A 0 -64,-3.1 -62,-2.4 -2,-0.4 2,-0.3 -0.884 33.1 153.2 -95.2 115.4 -41.4 1.4 -23.1 80 88 A F E - c 0 121A 4 40,-2.4 42,-2.7 -2,-0.7 2,-0.3 -0.926 32.6-130.6-135.3 165.0 -41.8 -0.1 -19.6 81 89 A S E - c 0 122A 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.866 12.7-130.3-117.3 151.2 -42.9 -3.4 -18.1 82 90 A I - 0 0 0 40,-2.1 2,-0.7 -2,-0.3 43,-0.3 -0.819 26.2-121.7 -94.7 136.5 -45.4 -4.3 -15.4 83 91 A S >> - 0 0 0 -2,-0.4 3,-1.6 1,-0.2 4,-1.1 -0.735 13.7-149.2 -77.9 114.3 -44.2 -6.7 -12.7 84 92 A W H >> S+ 0 0 0 -2,-0.7 4,-3.4 43,-0.3 3,-0.7 0.888 98.3 50.3 -44.6 -47.9 -46.6 -9.7 -12.7 85 93 A T H 34 S+ 0 0 0 42,-0.5 -53,-2.6 1,-0.2 -1,-0.3 0.487 100.3 63.1 -81.7 -4.6 -46.0 -10.1 -8.9 86 94 A R H <4 S+ 0 0 0 -3,-1.6 15,-0.4 -55,-0.3 -1,-0.2 0.767 117.3 30.3 -75.9 -32.3 -46.8 -6.5 -8.2 87 95 A I H << S+ 0 0 0 -4,-1.1 11,-3.0 -3,-0.7 -2,-0.2 0.877 139.0 21.5 -91.5 -49.6 -50.3 -7.1 -9.5 88 96 A L S >< S- 0 0 0 -4,-3.4 3,-2.7 9,-0.2 -1,-0.3 -0.845 72.5-163.8-121.9 90.1 -50.7 -10.8 -8.6 89 97 A P T 3 S+ 0 0 29 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 0.754 92.4 30.9 -49.8 -34.2 -48.2 -11.5 -5.7 90 98 A N T 3 S- 0 0 68 6,-0.3 -5,-0.1 2,-0.3 3,-0.1 0.154 116.2-108.4-112.9 23.9 -48.5 -15.3 -6.2 91 99 A G S < S+ 0 0 0 -3,-2.7 2,-0.3 -7,-0.2 60,-0.2 0.006 86.7 81.6 91.3 -27.9 -49.2 -15.2 -9.9 92 100 A S S S- 0 0 7 1,-0.1 -2,-0.3 58,-0.1 3,-0.2 -0.730 78.8-120.4-114.6 159.4 -52.9 -16.2 -10.0 93 101 A L S > S+ 0 0 80 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 0.912 112.7 56.7 -56.4 -47.8 -56.2 -14.5 -9.5 94 102 A R T 3 S+ 0 0 183 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.792 97.0 64.5 -62.3 -26.9 -57.2 -16.7 -6.5 95 103 A G T 3 S- 0 0 32 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.519 119.2 -99.6 -71.4 -7.3 -54.0 -15.6 -4.8 96 104 A G < - 0 0 31 -3,-2.3 2,-0.5 -4,-0.1 -6,-0.3 0.185 24.9 -94.9 102.4 145.8 -55.4 -12.1 -4.7 97 105 A V - 0 0 64 -9,-0.1 2,-0.9 -3,-0.1 -9,-0.2 -0.837 32.3-136.3 -97.8 125.3 -55.1 -8.8 -6.6 98 106 A N >> - 0 0 25 -11,-3.0 4,-1.6 -2,-0.5 3,-0.6 -0.719 16.1-171.6 -88.0 102.3 -52.7 -6.2 -5.1 99 107 A K H 3> S+ 0 0 176 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.806 85.2 58.6 -62.3 -34.1 -54.3 -2.8 -5.2 100 108 A E H 3> S+ 0 0 66 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.821 104.6 51.3 -64.9 -33.6 -51.1 -1.1 -4.2 101 109 A G H <> S+ 0 0 0 -3,-0.6 4,-1.7 -15,-0.4 -2,-0.2 0.899 109.5 49.0 -69.5 -43.2 -49.4 -2.5 -7.3 102 110 A I H X S+ 0 0 14 -4,-1.6 4,-2.2 -16,-0.2 -2,-0.2 0.881 108.4 55.9 -61.0 -41.3 -52.2 -1.2 -9.6 103 111 A K H X S+ 0 0 126 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.901 104.7 52.2 -59.0 -44.6 -51.8 2.2 -7.9 104 112 A Y H X S+ 0 0 12 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.927 111.6 44.5 -59.4 -48.5 -48.1 2.4 -8.7 105 113 A Y H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.847 111.8 53.4 -69.7 -33.3 -48.6 1.7 -12.5 106 114 A N H X S+ 0 0 34 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.921 110.0 48.9 -60.0 -45.6 -51.6 4.1 -12.6 107 115 A N H X S+ 0 0 63 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.878 113.7 46.0 -60.0 -41.6 -49.3 6.8 -11.1 108 116 A L H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.947 114.8 46.0 -66.4 -50.3 -46.6 6.0 -13.6 109 117 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.918 114.7 48.0 -58.5 -46.0 -49.0 6.0 -16.6 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147 A F G 3 S+ 0 0 0 1,-0.3 74,-0.3 5,-0.1 -1,-0.3 0.488 115.2 74.3 -73.7 -3.5 -43.6 -21.8 -18.1 140 148 A L G < S+ 0 0 30 -3,-2.1 -1,-0.3 73,-0.1 -2,-0.2 0.610 92.9 66.7 -78.4 -12.6 -42.8 -25.5 -18.3 141 149 A S S X S- 0 0 16 -3,-1.7 3,-1.8 -4,-0.1 4,-0.2 -0.891 81.1-134.3-112.8 139.6 -46.5 -26.2 -17.5 142 150 A P T >> S+ 0 0 78 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.596 99.9 80.6 -63.0 -9.8 -49.5 -25.4 -19.7 143 151 A N H 3> S+ 0 0 90 1,-0.2 4,-1.3 2,-0.2 3,-0.1 0.713 76.4 71.4 -66.8 -23.5 -51.0 -23.9 -16.5 144 152 A I H <> S+ 0 0 0 -3,-1.8 4,-2.8 -6,-0.4 -1,-0.2 0.801 85.8 67.3 -62.7 -31.3 -49.0 -20.8 -17.1 145 153 A I H <> S+ 0 0 14 -3,-0.9 4,-2.6 -4,-0.2 -1,-0.2 0.943 103.4 40.2 -58.5 -55.9 -51.2 -19.8 -20.0 146 154 A N H X S+ 0 0 100 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.867 115.6 51.9 -63.4 -39.4 -54.4 -19.1 -18.0 147 155 A D H X S+ 0 0 10 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.906 112.4 45.7 -63.7 -42.8 -52.6 -17.4 -15.2 148 156 A F H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.917 112.4 51.9 -62.7 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