==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-13 3WBA . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR S.SANSENYA,Y.HUA,J.R.K.CAIRNS . 478 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 32 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 4 1 1 3 0 2 1 0 0 0 2 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 5 3 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 . 2 2 0 2 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 2 0 0 0 0 0 1 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 11 A G 0 0 117 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-128.4 -29.8 -11.8 23.7 2 12 A L + 0 0 28 3,-0.1 2,-0.3 2,-0.0 413,-0.1 -0.335 360.0 154.6 -67.7 139.7 -26.5 -11.9 25.6 3 13 A T > - 0 0 72 -2,-0.1 3,-1.9 473,-0.1 4,-0.2 -0.850 62.4 -90.7-145.0 175.3 -26.1 -13.7 28.8 4 14 A R G > S+ 0 0 60 471,-0.7 3,-1.8 473,-0.3 7,-0.2 0.810 124.9 69.4 -61.9 -28.0 -23.1 -15.3 30.6 5 15 A G G 3 S+ 0 0 69 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.664 84.9 67.6 -59.5 -19.8 -24.1 -18.3 28.7 6 16 A S G < S+ 0 0 41 -3,-1.9 -1,-0.3 2,-0.1 416,-0.2 0.593 102.1 55.1 -76.8 -9.8 -22.9 -16.5 25.5 7 17 A F S < S- 0 0 13 -3,-1.8 3,-0.1 -4,-0.2 4,-0.1 -0.770 102.4 -79.7-121.4 161.2 -19.3 -16.7 26.8 8 18 A P > - 0 0 58 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.190 59.8 -85.9 -60.5 154.0 -17.1 -19.6 28.0 9 19 A E T 3 S+ 0 0 206 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.336 118.8 22.8 -55.5 136.7 -17.6 -21.1 31.5 10 20 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 2,-0.0 0.409 82.1 158.3 85.9 -2.8 -15.5 -19.0 33.9 11 21 A F < - 0 0 12 -3,-2.1 2,-0.5 -7,-0.2 -1,-0.3 -0.336 38.7-128.6 -58.4 134.7 -15.4 -15.9 31.6 12 22 A V E -a 430 0A 24 417,-2.4 419,-2.8 63,-0.0 2,-0.5 -0.750 22.1-168.4 -98.3 123.5 -14.6 -12.8 33.8 13 23 A F E +a 431 0A 1 -2,-0.5 62,-2.6 417,-0.2 63,-1.4 -0.920 23.5 144.5-107.2 133.9 -16.7 -9.7 33.8 14 24 A G E -ab 432 76A 2 417,-2.7 419,-2.4 -2,-0.5 2,-0.3 -0.869 41.6-118.0-146.8-178.9 -15.5 -6.5 35.5 15 25 A T E -ab 433 77A 0 61,-1.0 63,-2.9 417,-0.3 2,-0.3 -0.902 29.5-136.9-120.8 161.3 -15.3 -2.8 35.5 16 26 A A E +ab 434 78A 0 417,-2.4 420,-1.2 -2,-0.3 419,-0.5 -0.874 23.6 165.2-123.2 154.6 -12.1 -0.8 35.3 17 27 A S - 0 0 2 61,-1.4 2,-0.3 -2,-0.3 422,-0.0 -0.872 22.3-138.5-150.7 171.9 -10.7 2.3 37.1 18 28 A A > - 0 0 1 -2,-0.3 4,-1.2 61,-0.2 5,-0.3 -0.988 22.6-121.9-144.3 145.9 -7.3 4.1 37.5 19 29 A A H >> S+ 0 0 4 -2,-0.3 4,-3.3 1,-0.2 3,-0.8 0.908 107.8 44.4 -57.5 -52.7 -5.9 5.7 40.7 20 30 A Y H 34 S+ 0 0 6 102,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.865 115.6 49.2 -66.5 -31.8 -5.3 9.3 39.6 21 31 A Q H 34 S+ 0 0 0 -3,-0.1 419,-1.9 1,-0.1 -1,-0.3 0.706 128.3 19.3 -75.4 -21.3 -8.7 9.4 37.8 22 32 A Y H << S+ 0 0 1 -4,-1.2 36,-2.4 -3,-0.8 34,-0.7 0.743 107.7 66.1-117.9 -39.5 -10.7 8.0 40.8 23 33 A E < + 0 0 12 -4,-3.3 36,-1.9 -5,-0.3 37,-0.4 0.871 56.0 178.8 -71.5 -42.2 -8.9 8.3 44.2 24 34 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.462 45.7 106.9 63.7-150.8 -8.6 11.9 45.2 25 35 A A > + 0 0 13 28,-0.4 3,-1.3 1,-0.1 6,-0.2 0.895 45.2 169.8 49.8 45.4 -6.9 12.3 48.6 26 36 A V T 3 S+ 0 0 17 27,-1.3 -1,-0.1 1,-0.3 28,-0.1 0.753 73.3 32.1 -67.7 -24.2 -3.8 13.5 46.7 27 37 A K T > S+ 0 0 175 26,-0.2 3,-0.6 3,-0.1 -1,-0.3 0.327 96.4 115.6-108.6 7.9 -2.0 14.7 49.8 28 38 A E G X S+ 0 0 72 -3,-1.3 3,-1.5 1,-0.2 -4,-0.0 -0.479 76.0 2.3 -88.2 145.3 -3.3 12.2 52.2 29 39 A D G 3 S- 0 0 80 1,-0.3 -1,-0.2 -2,-0.2 69,-0.1 0.819 128.1 -54.5 55.4 40.1 -1.4 9.5 54.1 30 40 A G G < S+ 0 0 47 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.495 81.5 168.7 82.7 6.2 2.1 10.4 52.8 31 41 A R < - 0 0 25 -3,-1.5 54,-0.2 -6,-0.2 -1,-0.2 -0.262 28.9-131.5 -57.9 134.1 1.3 10.3 49.0 32 42 A G - 0 0 10 52,-2.4 52,-0.1 1,-0.1 57,-0.1 -0.525 26.8 -94.8 -83.5 151.8 4.1 11.7 46.8 33 43 A Q - 0 0 89 -2,-0.2 94,-3.0 93,-0.1 95,-0.5 -0.360 43.2-156.9 -59.7 140.6 3.5 14.2 44.0 34 44 A T B >> -I 126 0B 0 92,-0.3 4,-2.0 93,-0.2 3,-0.6 -0.766 32.2-102.6-115.5 169.9 3.1 12.6 40.6 35 45 A I H 3> S+ 0 0 7 90,-2.5 4,-2.3 -2,-0.3 89,-0.1 0.786 123.0 54.1 -61.6 -25.5 3.7 14.0 37.0 36 46 A W H 3> S+ 0 0 3 89,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.768 102.7 54.4 -81.6 -27.9 -0.1 14.2 36.7 37 47 A D H <> S+ 0 0 5 -3,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.943 114.4 43.4 -61.8 -46.3 -0.5 16.3 39.9 38 48 A T H < S+ 0 0 46 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.930 116.4 46.6 -62.4 -48.0 2.0 18.7 38.3 39 49 A F H >< S+ 0 0 11 -4,-2.3 3,-1.6 1,-0.2 6,-0.3 0.912 110.7 50.1 -63.9 -44.3 0.4 18.5 34.9 40 50 A A H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.734 111.6 51.7 -69.3 -19.8 -3.2 19.0 36.1 41 51 A H T 3< S+ 0 0 101 -4,-1.2 2,-0.4 -3,-0.3 -1,-0.3 0.101 91.9 95.3-101.9 20.2 -1.9 22.1 38.1 42 52 A T S X S- 0 0 61 -3,-1.6 3,-1.6 -5,-0.0 4,-0.4 -0.938 84.6-105.2-114.5 131.3 -0.2 23.7 35.1 43 53 A F T 3 S+ 0 0 181 -2,-0.4 -2,-0.1 1,-0.2 -3,-0.0 -0.241 99.0 14.0 -53.1 136.9 -2.0 26.3 33.0 44 54 A G T 3 S+ 0 0 58 2,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.281 97.9 97.8 88.7 -10.8 -3.3 25.2 29.7 45 55 A K S < S+ 0 0 42 -3,-1.6 2,-0.5 -6,-0.3 -2,-0.1 0.808 76.5 52.1 -86.5 -29.2 -3.0 21.4 30.1 46 56 A I S > S- 0 0 10 -4,-0.4 3,-2.1 -6,-0.2 -2,-0.2 -0.940 74.8-142.8-116.2 125.4 -6.6 20.5 31.1 47 57 A T T 3 S+ 0 0 101 396,-3.0 397,-0.1 -2,-0.5 -1,-0.1 0.785 100.3 38.7 -61.9 -33.7 -9.4 21.7 28.9 48 58 A D T 3 S- 0 0 55 395,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.124 110.9-114.4-103.4 19.7 -11.9 22.5 31.6 49 59 A F S < S+ 0 0 175 -3,-2.1 -2,-0.1 1,-0.2 2,-0.1 0.681 73.4 133.7 62.2 20.6 -9.3 23.9 34.1 50 60 A S - 0 0 16 393,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.398 38.3-163.1-101.8 172.3 -9.9 21.0 36.5 51 61 A N - 0 0 50 -2,-0.1 4,-0.4 -3,-0.1 3,-0.3 -0.915 29.6-118.4-143.1 174.0 -7.8 18.6 38.5 52 62 A A + 0 0 0 -2,-0.3 -28,-0.3 1,-0.2 4,-0.1 -0.054 66.9 125.7-104.6 30.4 -8.2 15.3 40.3 53 63 A D S S+ 0 0 51 1,-0.2 -27,-1.3 -29,-0.1 -28,-0.4 0.869 100.8 6.3 -56.6 -37.2 -7.3 16.5 43.8 54 64 A V S > S+ 0 0 84 -3,-0.3 3,-2.4 -30,-0.3 -1,-0.2 0.670 89.3 164.8-111.4 -37.0 -10.6 15.1 44.9 55 65 A A T 3 S- 0 0 2 -4,-0.4 -33,-0.2 1,-0.3 -32,-0.1 -0.277 79.8 -32.2 52.8-128.8 -11.7 13.3 41.7 56 66 A V T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.275 83.0-122.4-103.0 13.4 -14.5 10.9 42.8 57 67 A D X> + 0 0 21 -3,-2.4 4,-1.4 1,-0.1 3,-1.4 0.789 55.2 155.5 58.3 34.9 -13.0 10.3 46.2 58 68 A Q H 3> + 0 0 12 -36,-2.4 4,-1.2 1,-0.3 -35,-0.2 0.767 63.5 74.6 -64.6 -20.2 -12.7 6.6 45.8 59 69 A Y H 34 S+ 0 0 13 -36,-1.9 -1,-0.3 -37,-0.3 -35,-0.1 0.886 113.3 23.8 -55.1 -39.6 -9.8 6.7 48.4 60 70 A H H <4 S+ 0 0 93 -3,-1.4 -1,-0.2 -37,-0.4 -2,-0.2 0.544 128.3 47.7 -97.9 -14.5 -12.6 7.2 51.0 61 71 A R H X + 0 0 48 -4,-1.4 4,-2.2 -38,-0.2 3,-0.3 0.206 67.3 115.2-118.7 15.8 -15.6 5.7 49.2 62 72 A F H X S+ 0 0 24 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.824 76.1 55.9 -60.1 -33.6 -14.3 2.3 47.9 63 73 A E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 108.3 48.2 -67.2 -38.7 -16.7 0.2 50.1 64 74 A E H > S+ 0 0 90 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.940 114.2 47.3 -59.4 -46.8 -19.6 2.1 48.7 65 75 A D H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.847 107.2 55.5 -67.2 -35.5 -18.3 1.5 45.1 66 76 A I H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.902 105.7 52.5 -63.4 -39.4 -17.6 -2.2 45.8 67 77 A Q H X S+ 0 0 77 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.893 105.7 54.9 -64.0 -37.3 -21.2 -2.6 46.8 68 78 A L H X S+ 0 0 24 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.896 108.7 48.2 -59.9 -40.3 -22.2 -0.9 43.5 69 79 A M H >X>S+ 0 0 1 -4,-1.9 5,-1.9 1,-0.2 4,-0.8 0.922 111.6 49.2 -62.8 -45.5 -20.1 -3.6 41.7 70 80 A A H ><5S+ 0 0 31 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.842 101.4 64.4 -65.4 -32.5 -21.8 -6.4 43.7 71 81 A D H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.5 40.9 -56.7 -35.9 -25.2 -4.9 42.9 72 82 A M H <<5S- 0 0 2 -4,-0.9 404,-0.3 -3,-0.7 -1,-0.3 0.595 115.6-114.4 -87.4 -14.3 -24.5 -5.7 39.2 73 83 A G T <<5 + 0 0 30 -4,-0.8 -3,-0.2 -3,-0.6 -60,-0.1 0.720 48.6 177.7 83.5 23.1 -22.9 -9.1 39.9 74 84 A M < - 0 0 8 -5,-1.9 -60,-0.2 1,-0.1 -1,-0.2 -0.267 23.4-155.2 -56.6 143.5 -19.4 -8.1 38.6 75 85 A D S S+ 0 0 46 -62,-2.6 40,-2.7 1,-0.2 2,-0.3 0.704 70.1 10.5 -88.7 -26.7 -16.7 -10.8 38.9 76 86 A A E -bc 14 115A 0 -63,-1.4 -61,-1.0 38,-0.3 2,-0.4 -0.944 56.4-142.4-152.8 160.7 -13.7 -8.6 39.1 77 87 A Y E -bc 15 116A 0 38,-2.4 40,-2.8 -2,-0.3 2,-0.6 -0.984 11.5-151.2-136.3 127.0 -12.4 -5.0 39.4 78 88 A R E +bc 16 117A 0 -63,-2.9 -61,-1.4 -2,-0.4 2,-0.3 -0.858 32.5 154.4 -93.5 122.1 -9.5 -3.5 37.6 79 89 A F E - c 0 118A 4 38,-2.0 40,-2.9 -2,-0.6 2,-0.3 -0.940 32.8-125.1-139.0 164.5 -7.8 -0.8 39.6 80 90 A S E - c 0 119A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.847 12.1-129.4-113.3 154.0 -4.3 0.7 39.8 81 91 A I - 0 0 0 38,-2.4 2,-0.9 -2,-0.3 41,-0.3 -0.858 25.0-128.0 -93.5 129.3 -1.9 1.2 42.6 82 92 A A >> - 0 0 0 -2,-0.5 3,-2.1 1,-0.2 4,-0.7 -0.739 13.8-152.0 -76.5 109.6 -0.5 4.7 42.8 83 93 A W H >> S+ 0 0 0 -2,-0.9 4,-2.9 37,-0.3 3,-1.5 0.877 94.1 60.4 -45.7 -46.7 3.3 4.2 42.8 84 94 A S H 34 S+ 0 0 0 40,-0.6 -52,-2.4 1,-0.3 -1,-0.3 0.594 97.6 58.1 -67.5 -11.1 3.7 7.4 44.8 85 95 A R H <4 S+ 0 0 2 -3,-2.1 13,-0.5 -54,-0.2 -1,-0.3 0.694 115.3 37.0 -81.3 -21.7 1.5 6.1 47.7 86 96 A I H << S+ 0 0 0 -3,-1.5 9,-3.1 -4,-0.7 -2,-0.2 0.876 138.7 14.7 -93.2 -50.1 4.0 3.1 48.0 87 97 A Y S >< S- 0 0 25 -4,-2.9 3,-3.1 7,-0.2 -1,-0.3 -0.858 70.7-168.2-122.7 91.4 7.2 5.0 47.4 88 98 A P T 3 S+ 0 0 25 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.799 93.7 38.0 -51.8 -31.7 6.4 8.7 47.6 89 99 A N T 3 S- 0 0 109 2,-0.3 2,-1.1 4,-0.3 -5,-0.1 0.113 117.5-111.2-104.4 20.1 9.8 9.5 46.1 90 100 A G S < S+ 0 0 2 -3,-3.1 2,-0.3 -7,-0.2 58,-0.1 -0.150 95.9 26.8 84.4 -44.6 9.7 6.6 43.6 91 101 A V S S+ 0 0 46 -2,-1.1 2,-0.4 56,-0.0 -2,-0.3 -0.845 100.1 42.0-134.8 173.8 12.5 4.8 45.5 92 102 A G S S+ 0 0 58 -2,-0.3 2,-0.3 -4,-0.1 -2,-0.0 -0.745 94.8 35.6 96.7-131.4 13.8 4.7 49.1 93 103 A Q S S- 0 0 166 -2,-0.4 -4,-0.3 1,-0.1 2,-0.1 -0.461 74.5-132.5 -69.8 120.9 11.5 4.6 52.1 94 104 A V - 0 0 35 -2,-0.3 2,-0.9 -7,-0.1 -7,-0.2 -0.457 15.4-129.1 -69.7 144.2 8.3 2.6 51.7 95 105 A N >> - 0 0 29 -9,-3.1 4,-1.5 1,-0.2 3,-0.8 -0.840 16.1-163.8 -98.7 103.3 5.1 4.3 52.9 96 106 A Q H 3> S+ 0 0 105 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.862 87.0 60.8 -56.3 -38.7 3.4 1.9 55.2 97 107 A A H 3> S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.839 102.2 53.1 -59.5 -36.4 0.1 3.8 55.0 98 108 A G H <> S+ 0 0 1 -3,-0.8 4,-2.0 -13,-0.5 5,-0.2 0.936 109.9 47.2 -61.1 -49.0 0.0 3.2 51.2 99 109 A I H X S+ 0 0 2 -4,-1.5 4,-2.5 -14,-0.2 -2,-0.2 0.936 112.2 51.1 -56.6 -46.7 0.4 -0.6 51.7 100 110 A D H X S+ 0 0 70 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.887 108.2 52.2 -60.2 -40.6 -2.3 -0.5 54.4 101 111 A H H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.957 110.9 44.3 -62.8 -51.7 -4.7 1.3 52.1 102 112 A Y H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.865 109.9 57.0 -68.1 -31.3 -4.4 -1.1 49.2 103 113 A N H X S+ 0 0 34 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.926 108.4 48.0 -58.6 -42.4 -4.7 -4.1 51.6 104 114 A K H X S+ 0 0 136 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.907 112.9 47.9 -63.8 -41.2 -8.0 -2.7 52.8 105 115 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.944 113.7 46.1 -63.3 -49.7 -9.1 -2.2 49.2 106 116 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.930 114.6 47.8 -59.5 -46.3 -8.1 -5.8 48.2 107 117 A D H X S+ 0 0 82 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.889 109.8 52.6 -64.6 -36.4 -9.7 -7.3 51.3 108 118 A A H X S+ 0 0 16 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.857 111.1 48.0 -68.6 -36.2 -12.9 -5.3 50.8 109 119 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 3,-1.2 0.957 113.4 45.4 -64.0 -53.8 -13.2 -6.6 47.2 110 120 A L H ><5S+ 0 0 52 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.828 104.1 63.7 -62.2 -31.1 -12.5 -10.2 48.1 111 121 A A H 3<5S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.788 107.8 44.4 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199 A V T 34 S+ 0 0 67 -2,-0.6 -1,-0.2 9,-0.4 6,-0.1 0.769 96.4 62.2 -61.6 -26.3 8.5 22.7 20.1 190 200 A L T 34 S+ 0 0 113 137,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.735 108.2 43.0 -70.6 -24.5 8.6 23.4 16.3 191 201 A L T <4 S+ 0 0 53 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.859 132.7 15.2 -84.0 -43.2 5.7 21.0 15.9 192 202 A H >< - 0 0 57 -4,-1.9 3,-1.3 1,-0.1 -1,-0.3 -0.956 65.6-157.7-138.9 112.8 3.6 22.2 18.9 193 203 A L T 3 S+ 0 0 151 -2,-0.4 -4,-0.1 1,-0.2 -1,-0.1 0.651 84.1 72.3 -68.4 -17.4 4.5 25.5 20.5 194 204 A Y T 3 S+ 0 0 106 -150,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.683 76.9 96.1 -74.0 -18.1 2.8 24.7 23.8 195 205 A a < - 0 0 6 -3,-1.3 -9,-0.1 -7,-0.1 3,-0.1 -0.494 62.6-152.7 -75.8 148.5 5.6 22.2 24.9 196 206 A K S S- 0 0 209 -11,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.640 73.0 -19.2 -88.5 -22.3 8.4 23.4 27.1 197 207 A A S S+ 0 0 41 -12,-0.3 -10,-1.9 -10,-0.1 -1,-0.3 -0.960 80.7 92.3-176.7 164.5 11.0 20.8 25.8 198 208 A G - 0 0 28 -2,-0.3 -9,-0.4 -12,-0.3 2,-0.3 -0.764 53.9-104.6 129.3-174.6 11.3 17.4 24.0 199 209 A N >> - 0 0 53 -22,-0.4 4,-2.3 -2,-0.2 3,-1.1 -0.792 13.3-162.2-159.3 103.8 11.8 15.8 20.6 200 210 A S T 34 S+ 0 0 0 -2,-0.3 131,-0.5 1,-0.2 -23,-0.1 0.620 91.4 56.4 -67.0 -15.8 8.8 14.1 18.9 201 211 A G T 34 S+ 0 0 0 129,-0.2 -1,-0.2 125,-0.1 129,-0.2 0.672 123.0 15.6 -90.7 -19.1 11.2 12.2 16.6 202 212 A T T X> S+ 0 0 48 -3,-1.1 4,-1.5 -25,-0.2 3,-0.6 0.736 111.1 65.2-124.0 -42.9 13.3 10.5 19.3 203 213 A E H 3X S+ 0 0 24 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.868 95.5 58.6 -64.6 -39.3 11.8 10.5 22.7 204 214 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 108.0 48.4 -56.6 -35.6 8.7 8.4 22.0 205 215 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.864 111.1 49.1 -71.9 -37.9 11.1 5.5 21.0 206 216 A V H X S+ 0 0 46 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.923 112.7 48.0 -60.5 -48.4 13.3 5.8 24.0 207 217 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.930 112.0 49.2 -61.3 -46.7 10.2 5.8 26.4 208 218 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.922 109.6 51.8 -59.6 -46.3 8.7 2.8 24.6 209 219 A H H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.929 110.7 48.3 -55.8 -45.3 12.0 0.9 24.8 210 220 A H H X S+ 0 0 15 -4,-2.3 4,-2.8 -74,-0.2 -2,-0.2 0.898 108.7 53.5 -67.0 -38.1 12.2 1.6 28.6 211 221 A F H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.925 109.9 48.2 -55.6 -49.2 8.5 0.5 29.1 212 222 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.955 114.7 44.9 -58.6 -51.1 9.3 -2.8 27.4 213 223 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.862 111.3 53.8 -61.1 -38.5 12.5 -3.4 29.5 214 224 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.913 109.1 48.0 -63.7 -45.9 10.6 -2.3 32.7 215 225 A H H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.958 112.6 49.0 -57.3 -49.1 7.9 -4.9 32.1 216 226 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.878 110.0 51.7 -60.6 -37.8 10.5 -7.6 31.4 217 227 A A H X S+ 0 0 23 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.940 113.4 43.1 -63.7 -49.3 12.5 -6.7 34.6 218 228 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.889 114.0 52.3 -62.0 -39.5 9.3 -7.0 36.8 219 229 A A H X S+ 0 0 1 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