==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDE HYDROLASE FAMILY 10 10-APR-00 1E0V . COMPND 2 MOLECULE: XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS; . AUTHOR V.DUCROS,S.J.CHARNOCK,U.DEREWENDA,Z.S.DEREWENDA,Z.DAUTER, . 302 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 3 0 1 0 0 1 1 1 3 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 1 A A 0 0 112 0, 0.0 2,-0.3 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 172.7 33.1 -4.3 7.4 2 2 A E - 0 0 86 295,-0.2 299,-0.1 2,-0.1 6,-0.0 -0.842 360.0-144.5-112.8 153.3 30.1 -4.4 9.8 3 3 A S S S+ 0 0 87 -2,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.468 78.3 54.2 -94.3 -5.7 26.7 -5.9 9.1 4 4 A T S > S- 0 0 24 1,-0.1 4,-2.2 293,-0.1 5,-0.2 -0.904 81.4-118.6-127.6 159.2 24.5 -3.4 11.1 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.919 110.5 46.4 -62.9 -50.1 24.1 0.4 11.0 6 6 A G H > S+ 0 0 2 31,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.922 115.1 46.2 -60.4 -47.4 25.2 1.2 14.5 7 7 A A H > S+ 0 0 33 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.876 112.7 50.8 -64.6 -36.6 28.2 -1.1 14.4 8 8 A A H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.932 110.8 48.8 -66.5 -41.0 29.3 0.3 11.0 9 9 A A H ><>S+ 0 0 2 -4,-2.6 5,-2.2 1,-0.2 3,-1.5 0.889 103.6 62.0 -63.7 -38.7 29.0 3.8 12.3 10 10 A A H ><5S+ 0 0 53 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.744 86.8 73.0 -62.6 -21.0 31.1 2.8 15.4 11 11 A Q T <<5S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.805 105.6 38.1 -63.3 -29.0 34.1 2.0 13.2 12 12 A S T < 5S- 0 0 69 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.211 127.1 -99.7-103.6 12.0 34.5 5.7 12.7 13 13 A G T < 5S+ 0 0 71 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.651 87.6 116.2 80.1 16.8 33.6 6.6 16.3 14 14 A R < - 0 0 32 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.556 55.8-129.8-109.8 173.9 30.0 7.6 15.4 15 15 A Y E -a 262 0A 17 246,-1.1 248,-1.9 -2,-0.2 2,-0.4 -0.830 1.5-150.6-120.8 161.6 26.5 6.3 16.2 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.2 246,-0.2 24,-0.7 -0.975 33.5 172.7-131.1 113.2 23.5 5.4 14.1 17 17 A G E -ab 264 40A 0 246,-3.3 248,-2.6 -2,-0.4 2,-0.3 -0.593 20.5-157.6-120.5 179.1 20.3 6.0 15.9 18 18 A T E -ab 265 41A 1 22,-1.9 24,-2.0 246,-0.3 2,-0.4 -0.940 29.9-100.3-145.4 169.9 16.5 6.0 15.7 19 19 A A E - b 0 42A 0 246,-0.8 2,-0.4 -2,-0.3 24,-0.2 -0.780 37.3-157.2 -91.1 137.4 13.4 7.4 17.4 20 20 A I E - b 0 43A 0 22,-2.7 24,-2.9 -2,-0.4 2,-0.5 -0.974 4.1-155.4-119.9 132.1 11.6 4.9 19.7 21 21 A A > - 0 0 8 -2,-0.4 3,-1.8 22,-0.2 4,-0.3 -0.943 14.1-142.9-108.5 128.8 8.0 5.1 20.7 22 22 A S G > S+ 0 0 30 -2,-0.5 3,-1.5 1,-0.3 4,-0.1 0.847 99.8 62.6 -56.6 -35.9 6.9 3.3 23.9 23 23 A G G 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.665 101.6 51.9 -65.6 -16.6 3.6 2.3 22.3 24 24 A R G X S+ 0 0 78 -3,-1.8 3,-1.8 1,-0.2 7,-0.3 0.403 79.6 97.1 -98.5 0.0 5.5 0.1 19.7 25 25 A L T < S+ 0 0 36 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.526 76.3 60.2 -74.4 -1.9 7.5 -1.8 22.3 26 26 A S T 3 S+ 0 0 111 -3,-0.3 2,-0.8 -4,-0.1 -1,-0.3 0.334 82.7 98.3 -99.7 2.5 5.1 -4.8 22.3 27 27 A D <> - 0 0 54 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.817 61.5-161.3 -93.9 107.8 5.8 -5.2 18.6 28 28 A S H > S+ 0 0 91 -2,-0.8 4,-1.9 1,-0.2 5,-0.2 0.781 88.5 53.1 -61.5 -32.6 8.5 -8.0 18.3 29 29 A T H > S+ 0 0 62 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.929 112.3 45.8 -66.7 -44.6 9.5 -7.0 14.7 30 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.939 115.1 45.0 -63.6 -51.0 10.1 -3.4 15.8 31 31 A T H X S+ 0 0 34 -4,-2.5 4,-2.1 -7,-0.3 -1,-0.2 0.871 115.4 46.8 -65.4 -37.4 12.0 -4.3 19.0 32 32 A S H X S+ 0 0 74 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.923 117.3 41.7 -73.5 -41.8 14.2 -6.9 17.3 33 33 A I H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.925 117.8 46.5 -69.3 -43.2 15.1 -4.8 14.3 34 34 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.906 112.7 51.5 -64.2 -39.6 15.6 -1.6 16.3 35 35 A G H < S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.916 114.1 43.4 -63.5 -41.3 17.7 -3.6 18.9 36 36 A R H < S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 119.8 37.3 -69.8 -44.3 20.0 -5.0 16.2 37 37 A E H < S+ 0 0 1 -4,-2.3 -31,-2.4 -5,-0.1 2,-0.4 0.692 103.8 59.5 -88.3 -25.4 20.5 -1.9 14.0 38 38 A F < - 0 0 6 -4,-1.7 -21,-0.2 -5,-0.2 3,-0.1 -0.877 39.8-175.0-116.3 146.3 20.9 1.1 16.2 39 39 A N S S+ 0 0 40 -23,-2.2 38,-1.9 -2,-0.4 2,-0.3 0.240 76.3 56.8-116.6 13.5 23.2 2.2 19.0 40 40 A M E -bc 17 77A 1 -24,-0.7 -22,-1.9 36,-0.2 2,-0.4 -0.996 64.6-162.8-144.2 135.9 21.5 5.4 19.9 41 41 A V E -bc 18 78A 1 36,-2.1 38,-2.8 -2,-0.3 2,-0.4 -0.972 8.4-171.9-124.5 143.0 17.8 6.1 20.9 42 42 A T E -bc 19 79A 0 -24,-2.0 -22,-2.7 -2,-0.4 2,-0.3 -0.995 32.6-120.7-123.8 132.0 15.7 9.2 21.0 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.622 19.3-143.4 -72.2 131.6 12.3 9.0 22.7 44 44 A E S S- 0 0 26 -24,-2.9 -23,-0.2 -2,-0.3 -1,-0.2 0.905 82.0 -22.0 -62.9 -44.1 9.8 9.9 20.0 45 45 A N S > S+ 0 0 81 -25,-0.3 3,-1.6 3,-0.1 6,-0.3 0.507 114.0 91.6-138.9 -15.5 7.4 11.8 22.4 46 46 A E T 3 S+ 0 0 12 1,-0.3 18,-0.4 17,-0.1 19,-0.1 0.601 87.1 47.4 -70.5 -17.9 7.9 10.6 25.9 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.237 87.3 112.7-106.8 11.1 10.5 13.1 27.1 48 48 A K S <> S- 0 0 21 -3,-1.6 4,-2.4 1,-0.1 5,-0.3 -0.203 83.6 -99.7 -76.0 170.6 8.7 16.1 25.9 49 49 A I H > S+ 0 0 6 33,-0.2 4,-2.6 1,-0.2 40,-0.1 0.914 118.8 48.4 -62.2 -45.4 7.2 18.7 28.2 50 50 A D H 4 S+ 0 0 67 38,-0.9 -1,-0.2 1,-0.2 39,-0.1 0.886 115.3 45.0 -63.5 -40.2 3.6 17.5 28.2 51 51 A A H 4 S+ 0 0 29 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 120.3 38.7 -71.8 -38.6 4.5 13.9 28.7 52 52 A T H < S+ 0 0 0 -4,-2.4 8,-2.4 1,-0.2 -2,-0.2 0.771 129.6 25.6 -87.0 -25.9 7.0 14.6 31.5 53 53 A E < + 0 0 4 -4,-2.6 -1,-0.2 -5,-0.3 6,-0.2 -0.581 64.1 163.5-138.0 75.0 5.2 17.4 33.4 54 54 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.768 77.4 25.4 -64.7 -29.8 1.5 17.0 32.8 55 55 A Q B > S-I 58 0B 110 3,-0.8 3,-2.3 -3,-0.1 2,-0.0 -0.972 109.2 -84.5-131.3 142.8 0.6 19.2 35.7 56 56 A R T 3 S+ 0 0 117 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 -0.278 114.3 1.2 -54.3 123.5 3.0 21.9 37.1 57 57 A G T 3 S+ 0 0 55 1,-0.1 2,-0.7 47,-0.1 -1,-0.3 0.400 107.0 105.4 81.3 -2.2 5.4 20.3 39.5 58 58 A Q B < -I 55 0B 132 -3,-2.3 -3,-0.8 2,-0.0 -1,-0.1 -0.807 56.3-164.6-114.6 86.5 3.9 16.8 39.0 59 59 A F - 0 0 72 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.371 11.2-166.6 -75.0 149.0 6.4 14.8 36.9 60 60 A N + 0 0 74 -8,-2.4 4,-0.3 -2,-0.1 3,-0.1 -0.895 17.5 163.1-135.3 102.6 5.5 11.6 35.2 61 61 A F > + 0 0 30 -2,-0.4 4,-3.3 1,-0.1 5,-0.3 0.247 43.6 108.6-103.7 12.1 8.5 9.6 33.9 62 62 A S H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.941 87.1 33.1 -54.7 -55.5 6.7 6.3 33.4 63 63 A S H > S+ 0 0 28 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 119.7 52.5 -72.0 -37.0 6.7 6.3 29.6 64 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.6 -4,-0.3 -2,-0.2 0.917 109.7 48.9 -63.4 -43.4 10.0 8.1 29.3 65 65 A D H X S+ 0 0 41 -4,-3.3 4,-3.4 1,-0.2 5,-0.3 0.857 104.8 59.6 -66.3 -31.4 11.7 5.6 31.6 66 66 A R H X S+ 0 0 136 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.924 111.3 40.7 -60.6 -42.6 10.2 2.7 29.5 67 67 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.935 117.0 48.6 -69.9 -46.1 12.1 4.1 26.5 68 68 A Y H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.928 113.2 46.6 -57.9 -52.8 15.2 4.9 28.5 69 69 A N H X S+ 0 0 69 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.883 110.4 53.4 -60.0 -40.2 15.3 1.5 30.1 70 70 A W H X S+ 0 0 28 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.947 109.9 48.7 -60.4 -47.3 14.7 -0.3 26.8 71 71 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 3,-0.5 0.960 113.9 43.6 -56.8 -53.2 17.7 1.6 25.2 72 72 A V H ><5S+ 0 0 61 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.926 111.6 53.9 -63.6 -39.3 20.1 0.8 28.1 73 73 A Q H 3<5S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.0 46.7 -62.3 -28.4 19.0 -2.8 28.2 74 74 A N T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.159 123.0-103.6-101.0 18.3 19.7 -3.1 24.5 75 75 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.727 75.1 132.7 71.7 25.8 23.1 -1.4 24.7 76 76 A K < - 0 0 15 -5,-2.9 -36,-0.2 -6,-0.2 -1,-0.2 -0.767 50.7-132.8-109.1 155.1 22.2 2.1 23.3 77 77 A Q E -c 40 0A 112 -38,-1.9 -36,-2.1 -2,-0.3 2,-0.4 -0.437 29.8-126.6 -89.3 172.1 22.9 5.6 24.5 78 78 A V E -c 41 0A 1 41,-0.3 43,-1.0 -38,-0.2 44,-0.9 -0.989 10.2-152.4-133.3 133.6 20.1 8.1 24.7 79 79 A R E -cd 42 122A 1 -38,-2.8 -36,-0.7 -2,-0.4 2,-0.4 -0.917 27.3-133.8 -96.7 124.6 19.5 11.6 23.2 80 80 A G E - d 0 123A 0 42,-3.1 44,-2.9 -2,-0.5 2,-0.4 -0.696 22.0-140.4 -80.3 136.7 17.1 13.5 25.5 81 81 A H E - d 0 124A 3 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.976 51.4 -18.8-148.0 121.4 14.4 15.3 23.5 82 82 A T E + 0 0 1 42,-0.6 -33,-0.2 -2,-0.4 -1,-0.2 0.744 37.6 170.6-145.1 150.2 13.4 18.1 24.2 83 83 A L E S+ 0 0 2 41,-1.9 2,-0.4 1,-0.2 43,-0.2 0.756 82.4 24.4 -89.7 -25.0 13.4 20.5 27.2 84 84 A A E S+ d 0 126A 2 41,-0.9 43,-2.3 40,-0.3 2,-0.3 -0.968 72.7 139.9-144.6 120.0 12.1 23.8 25.9 85 85 A W E - d 0 127A 25 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.973 51.1-130.4-158.6 148.7 9.9 24.1 22.8 86 86 A H S S+ 0 0 56 41,-0.5 3,-0.5 -2,-0.3 2,-0.2 0.719 88.5 74.9 -72.1 -26.9 6.8 26.1 21.6 87 87 A S S S+ 0 0 50 1,-0.2 -2,-0.1 40,-0.2 40,-0.1 -0.630 96.0 13.4 -94.4 148.2 5.0 22.9 20.4 88 88 A Q S S+ 0 0 38 -2,-0.2 -38,-0.9 1,-0.2 -1,-0.2 0.756 76.9 162.7 67.5 26.9 3.3 20.3 22.6 89 89 A Q - 0 0 12 -3,-0.5 -1,-0.2 -40,-0.1 -3,-0.0 -0.575 44.9-109.0 -76.3 144.8 3.3 22.3 25.8 90 90 A P >> - 0 0 11 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.365 34.8-107.2 -61.9 151.8 0.8 21.1 28.5 91 91 A G H 3> S+ 0 0 46 1,-0.3 4,-1.4 2,-0.2 -36,-0.1 0.847 118.2 60.0 -53.5 -38.9 -2.1 23.5 28.9 92 92 A W H 34 S+ 0 0 39 -38,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.871 108.2 44.8 -61.3 -33.2 -0.8 24.8 32.3 93 93 A M H X4 S+ 0 0 3 -3,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.859 105.4 61.3 -79.2 -30.1 2.4 26.0 30.6 94 94 A Q H 3< S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 100.3 56.4 -64.5 -28.3 0.5 27.5 27.6 95 95 A S T 3< S+ 0 0 103 -4,-1.4 2,-0.3 -3,-0.1 -1,-0.3 0.566 93.1 91.0 -76.4 -13.0 -1.3 29.8 30.1 96 96 A L < + 0 0 28 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.0 -0.623 49.7 170.3 -92.5 147.4 2.0 31.2 31.4 97 97 A S >> - 0 0 87 -2,-0.3 4,-1.4 48,-0.0 3,-1.1 -0.924 45.3 -5.8-143.8 166.7 3.9 34.2 30.1 98 98 A G H 3> S- 0 0 31 44,-0.4 4,-2.5 -2,-0.3 5,-0.2 -0.050 124.9 -3.2 50.3-133.8 6.8 36.4 31.1 99 99 A S H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.813 134.0 54.7 -61.7 -33.3 8.5 35.8 34.4 100 100 A A H <> S+ 0 0 41 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.921 111.4 45.6 -67.6 -41.2 6.1 33.1 35.5 101 101 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.915 109.7 55.4 -67.0 -40.6 6.8 31.2 32.3 102 102 A R H X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.929 109.2 46.9 -57.2 -45.3 10.6 31.7 32.7 103 103 A Q H X S+ 0 0 97 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.929 112.9 48.8 -65.2 -42.1 10.5 30.2 36.2 104 104 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.866 110.0 51.9 -65.7 -35.0 8.4 27.2 34.9 105 105 A M H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.932 112.8 45.3 -64.8 -45.9 10.8 26.7 32.0 106 106 A I H X S+ 0 0 35 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.930 113.4 49.1 -62.2 -47.5 13.8 26.6 34.4 107 107 A D H X S+ 0 0 65 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.875 110.1 52.3 -61.7 -38.2 12.0 24.3 36.8 108 108 A H H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.3 0.932 110.7 46.5 -65.8 -43.6 11.1 22.0 34.0 109 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.950 114.4 48.4 -60.7 -49.6 14.7 21.8 32.8 110 110 A N H X S+ 0 0 67 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.889 113.4 45.8 -58.7 -44.2 15.9 21.2 36.3 111 111 A G H X S+ 0 0 23 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.902 117.0 42.2 -69.2 -42.2 13.4 18.5 37.2 112 112 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.936 116.5 47.8 -71.6 -44.8 13.8 16.5 34.0 113 113 A M H < S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.858 108.3 55.1 -65.0 -35.4 17.6 16.8 33.9 114 114 A A H >< S+ 0 0 63 -4,-1.9 3,-1.3 -5,-0.3 -1,-0.2 0.898 103.9 55.5 -63.0 -40.2 17.9 15.8 37.6 115 115 A H H 3< S+ 0 0 67 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 119.9 31.0 -59.1 -37.6 15.9 12.5 36.9 116 116 A Y T >X S+ 0 0 2 -4,-1.3 3,-2.7 -3,-0.2 4,-0.6 0.111 84.7 159.9-106.7 19.3 18.4 11.5 34.1 117 117 A K T <4 S- 0 0 125 -3,-1.3 -3,-0.1 1,-0.3 45,-0.1 -0.186 75.2 -1.4 -54.2 123.1 21.5 13.2 35.6 118 118 A G T 34 S+ 0 0 53 2,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.461 116.6 87.7 77.2 7.8 24.6 11.6 34.1 119 119 A K T <4 S+ 0 0 116 -3,-2.7 2,-0.5 1,-0.1 -41,-0.3 0.462 71.1 72.3-112.7 -9.0 22.6 9.1 32.0 120 120 A I < - 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0 0 59 4,-3.1 3,-1.7 -2,-0.4 -2,-0.1 -0.202 38.9 -96.1 -70.6 172.9 9.8 -1.5 4.6 285 285 A N T 3 S+ 0 0 102 1,-0.3 -16,-0.1 -16,-0.1 -1,-0.1 0.801 126.0 53.8 -62.2 -29.9 6.5 -2.1 6.5 286 286 A D T 3 S- 0 0 119 2,-0.1 -1,-0.3 -257,-0.0 -2,-0.0 0.283 123.1-103.9 -87.0 5.1 7.3 -5.8 6.8 287 287 A G S < S+ 0 0 10 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.351 76.4 137.3 90.3 -5.7 10.7 -5.1 8.4 288 288 A S - 0 0 48 1,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.333 59.5-103.9 -73.5 155.0 12.7 -5.8 5.2 289 289 A K B -N 283 0F 99 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.630 33.6-153.1 -81.6 135.0 15.7 -3.6 4.1 290 290 A K > - 0 0 36 -8,-1.8 4,-0.9 -2,-0.3 -1,-0.1 -0.020 37.0 -89.4 -86.6-164.7 15.1 -1.2 1.3 291 291 A A H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.832 123.9 59.8 -79.3 -33.9 17.6 0.1 -1.2 292 292 A A H > S+ 0 0 1 -50,-0.3 4,-2.5 1,-0.2 5,-0.2 0.870 99.7 56.4 -64.1 -36.5 18.4 3.1 1.0 293 293 A Y H > S+ 0 0 2 -11,-0.5 4,-2.7 2,-0.2 5,-0.2 0.952 106.9 49.2 -56.8 -53.9 19.5 0.9 3.9 294 294 A T H X S+ 0 0 70 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.898 110.8 50.1 -54.3 -43.1 22.1 -0.8 1.7 295 295 A A H X S+ 0 0 20 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.935 111.8 47.2 -62.1 -47.3 23.5 2.5 0.5 296 296 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.935 113.4 48.0 -61.2 -48.0 23.8 3.9 4.1 297 297 A L H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.943 111.8 50.1 -58.1 -47.6 25.5 0.7 5.4 298 298 A D H X S+ 0 0 92 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.932 110.9 49.3 -58.5 -44.6 27.9 0.7 2.4 299 299 A A H >< S+ 0 0 12 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.944 110.3 50.3 -61.3 -43.7 28.8 4.4 3.0 300 300 A L H 3< S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 112.2 48.2 -64.1 -31.4 29.4 3.7 6.7 301 301 A N H 3< 0 0 40 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.503 360.0 360.0 -84.8 -6.2 31.6 0.8 5.8 302 302 A G << 0 0 123 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.1 -0.515 360.0 360.0 71.6 360.0 33.5 2.9 3.2