==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-04 1V0L . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS; . AUTHOR T.M.GLOSTER,S.J.WILLIAMS,S.ROBERTS,C.A.TARLING,J.WICKI, . 302 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11144.0 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 . 48 15.9 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 . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 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 5 1 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 2 A E 0 0 112 0, 0.0 299,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 160.9 29.8 -4.8 9.3 2 3 A S + 0 0 79 298,-0.0 2,-0.3 5,-0.0 294,-0.1 0.493 360.0 51.0-100.2 -8.2 26.4 -6.3 8.8 3 4 A T S > S- 0 0 21 1,-0.1 4,-2.4 293,-0.1 5,-0.2 -0.913 81.1-117.6-131.0 157.6 24.2 -3.8 10.7 4 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.926 110.7 46.9 -63.4 -47.8 23.9 0.0 10.6 5 6 A G H > S+ 0 0 2 31,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.930 115.0 46.1 -62.5 -46.4 25.0 0.8 14.1 6 7 A A H > S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 112.6 51.0 -63.8 -39.5 28.0 -1.5 14.0 7 8 A A H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.919 111.8 46.7 -64.1 -43.8 29.0 -0.2 10.7 8 9 A A H ><>S+ 0 0 1 -4,-2.7 5,-2.2 1,-0.2 3,-1.8 0.889 105.9 60.4 -61.0 -39.0 28.8 3.4 11.9 9 10 A A H ><5S+ 0 0 50 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.755 89.7 69.9 -64.6 -27.1 30.7 2.4 15.1 10 11 A Q T <<5S+ 0 0 156 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.735 106.3 39.8 -61.3 -24.9 33.8 1.4 13.0 11 12 A S T < 5S- 0 0 52 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.203 127.7 -99.0-106.5 12.7 34.3 5.1 12.2 12 13 A G T < 5S+ 0 0 70 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.600 87.5 113.4 88.0 13.0 33.4 6.2 15.7 13 14 A R < - 0 0 35 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.583 57.1-127.5-113.3 169.0 29.8 7.2 15.0 14 15 A Y E -a 261 0A 23 246,-1.4 248,-1.8 -2,-0.2 2,-0.4 -0.797 3.6-151.5-111.1 162.0 26.4 6.0 15.9 15 16 A F E +a 262 0A 0 -2,-0.3 23,-2.3 246,-0.2 24,-0.7 -0.969 32.0 174.8-131.0 116.5 23.3 5.1 13.8 16 17 A G E -ab 263 39A 0 246,-2.9 248,-2.6 -2,-0.4 2,-0.3 -0.617 20.0-157.5-119.5 173.3 20.1 5.7 15.7 17 18 A T E -ab 264 40A 0 22,-1.8 24,-2.1 246,-0.3 2,-0.4 -0.941 29.1-104.1-140.7 166.5 16.4 5.6 15.4 18 19 A A E - b 0 41A 0 246,-1.0 2,-0.4 -2,-0.3 24,-0.2 -0.805 37.7-154.8 -84.8 134.2 13.3 7.1 17.1 19 20 A I E - b 0 42A 0 22,-2.6 24,-2.6 -2,-0.4 2,-0.5 -0.956 6.4-152.6-118.0 135.9 11.5 4.7 19.3 20 21 A A > - 0 0 6 -2,-0.4 3,-1.7 22,-0.2 4,-0.2 -0.922 10.9-145.5-106.8 124.3 7.8 4.7 20.3 21 22 A S G > S+ 0 0 20 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.831 96.3 61.1 -58.1 -37.5 6.9 3.1 23.6 22 23 A G G 3 S+ 0 0 62 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.642 102.0 54.8 -67.7 -12.6 3.6 1.8 22.4 23 24 A R G X S+ 0 0 77 -3,-1.7 3,-2.1 1,-0.2 -1,-0.3 0.338 73.7 98.8 -99.5 4.0 5.4 -0.3 19.9 24 25 A L T < S+ 0 0 41 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.515 78.3 60.8 -77.1 1.9 7.6 -2.0 22.2 25 26 A S T 3 S+ 0 0 109 -3,-0.4 2,-0.7 -4,-0.1 -1,-0.3 0.294 80.8 100.0 -96.5 -0.7 5.2 -5.0 22.1 26 27 A D <> - 0 0 46 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 -0.818 60.8-160.3 -94.0 109.5 5.7 -5.4 18.4 27 28 A S H > S+ 0 0 93 -2,-0.7 4,-1.8 1,-0.2 5,-0.2 0.820 89.7 49.5 -62.5 -37.7 8.2 -8.3 17.9 28 29 A T H > S+ 0 0 61 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.941 114.0 46.8 -64.9 -47.5 9.2 -7.3 14.3 29 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.942 115.4 43.6 -57.6 -52.6 9.8 -3.6 15.5 30 31 A T H X S+ 0 0 31 -4,-2.8 4,-2.3 -7,-0.3 -1,-0.2 0.868 114.8 48.4 -69.9 -34.2 11.8 -4.5 18.6 31 32 A S H X S+ 0 0 74 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.916 115.7 42.6 -74.7 -40.0 14.0 -7.1 16.9 32 33 A I H X S+ 0 0 11 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.943 118.3 45.3 -67.7 -48.1 14.9 -5.0 13.9 33 34 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.916 112.7 52.4 -62.8 -38.1 15.5 -1.9 16.0 34 35 A G H < S+ 0 0 18 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.922 115.0 41.0 -60.0 -44.5 17.5 -3.9 18.5 35 36 A R H < S+ 0 0 119 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.876 120.3 39.6 -69.7 -41.9 19.7 -5.4 15.8 36 37 A E H < S+ 0 0 1 -4,-2.5 -31,-2.3 -5,-0.2 2,-0.4 0.684 103.4 58.9 -93.0 -23.2 20.3 -2.3 13.7 37 38 A F < - 0 0 5 -4,-1.7 -21,-0.2 -5,-0.2 3,-0.1 -0.882 38.9-175.6-119.6 146.8 20.7 0.8 15.9 38 39 A N S S+ 0 0 41 -23,-2.3 38,-2.0 -2,-0.4 2,-0.3 0.253 77.0 54.8-118.0 14.8 23.1 1.8 18.7 39 40 A M E -bc 16 76A 7 -24,-0.7 -22,-1.8 36,-0.3 2,-0.4 -0.992 64.7-163.1-147.6 140.9 21.4 5.1 19.6 40 41 A V E -bc 17 77A 0 36,-2.1 38,-2.6 -2,-0.3 2,-0.4 -0.990 8.7-171.5-129.3 137.6 17.7 5.8 20.5 41 42 A T E -bc 18 78A 0 -24,-2.1 -22,-2.6 -2,-0.4 2,-0.4 -0.985 32.6-120.4-115.7 136.7 15.6 9.0 20.7 42 43 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.637 18.9-146.7 -71.7 128.7 12.2 8.8 22.3 43 44 A E S S- 0 0 20 -24,-2.6 -1,-0.2 -2,-0.4 -23,-0.1 0.854 82.7 -19.5 -65.0 -38.8 9.8 9.8 19.5 44 45 A N S > S+ 0 0 60 -25,-0.4 3,-1.5 3,-0.1 6,-0.3 0.481 114.6 88.4-139.0 -22.2 7.3 11.5 21.9 45 46 A E T 3 S+ 0 0 14 1,-0.3 18,-0.4 17,-0.1 19,-0.1 0.601 89.9 48.5 -74.5 -17.0 7.8 10.3 25.5 46 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.290 87.2 113.2-103.8 11.1 10.5 12.8 26.6 47 48 A K S <> S- 0 0 12 -3,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.192 83.3 -99.4 -76.2 172.0 8.6 15.8 25.3 48 49 A I H > S+ 0 0 4 38,-0.3 4,-2.3 1,-0.2 40,-0.2 0.899 119.6 46.4 -66.5 -47.2 7.2 18.4 27.7 49 50 A D H 4 S+ 0 0 55 38,-1.6 -1,-0.2 2,-0.2 39,-0.1 0.901 114.0 48.6 -62.2 -39.7 3.6 17.2 27.8 50 51 A A H 4 S+ 0 0 28 -6,-0.3 -2,-0.2 37,-0.2 -1,-0.2 0.929 119.0 37.3 -63.9 -48.4 4.6 13.6 28.3 51 52 A T H < S+ 0 0 0 -4,-2.4 8,-2.4 1,-0.2 -2,-0.2 0.738 130.4 26.3 -83.1 -26.7 7.0 14.3 31.1 52 53 A E < + 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 6,-0.2 -0.561 65.1 162.5-135.1 71.3 5.2 17.1 33.0 53 54 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.788 76.2 27.2 -71.4 -24.5 1.5 16.6 32.2 54 55 A Q B > S-I 57 0B 118 3,-0.9 3,-2.4 -3,-0.1 2,-0.0 -0.968 108.8 -86.7-126.9 148.0 0.5 18.8 35.2 55 56 A R T 3 S+ 0 0 115 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 -0.311 112.8 3.6 -60.3 128.1 2.7 21.6 36.5 56 57 A G T 3 S+ 0 0 55 1,-0.1 2,-0.6 47,-0.1 -1,-0.3 0.383 107.3 103.0 81.8 -3.1 5.1 20.2 39.0 57 58 A Q B < -I 54 0B 112 -3,-2.4 -3,-0.9 2,-0.0 2,-0.1 -0.857 56.9-162.7-118.7 93.6 3.9 16.6 38.6 58 59 A F - 0 0 75 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.427 9.2-166.2 -81.4 149.7 6.4 14.6 36.5 59 60 A N + 0 0 78 -8,-2.4 4,-0.3 -2,-0.1 3,-0.2 -0.892 16.7 164.7-135.4 103.7 5.5 11.4 34.8 60 61 A F > + 0 0 28 -2,-0.4 4,-3.0 1,-0.1 5,-0.3 0.229 44.2 108.3 -99.4 11.3 8.5 9.4 33.5 61 62 A S H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.946 86.4 33.3 -61.2 -52.1 6.7 6.1 33.0 62 63 A S H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 119.1 53.5 -70.9 -36.8 6.7 6.1 29.2 63 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.8 -4,-0.3 -2,-0.2 0.914 109.4 48.7 -59.8 -47.1 10.0 7.9 28.9 64 65 A D H X S+ 0 0 40 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.832 104.3 59.8 -68.0 -30.1 11.7 5.3 31.2 65 66 A R H X S+ 0 0 128 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.939 111.4 41.0 -59.8 -43.5 10.2 2.5 29.1 66 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 116.9 47.9 -66.3 -49.5 12.1 3.9 26.1 67 68 A Y H X S+ 0 0 32 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.931 113.9 46.4 -57.7 -49.2 15.2 4.6 28.1 68 69 A N H X S+ 0 0 70 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.893 111.0 51.8 -65.0 -39.7 15.3 1.2 29.7 69 70 A W H X S+ 0 0 26 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.930 110.9 50.6 -58.1 -46.8 14.6 -0.6 26.4 70 71 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.5 0.957 114.0 40.6 -57.9 -54.6 17.5 1.4 24.9 71 72 A V H ><5S+ 0 0 62 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.848 112.2 55.6 -73.2 -29.2 20.1 0.6 27.6 72 73 A Q H 3<5S+ 0 0 147 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.790 112.2 46.6 -62.3 -26.9 18.9 -3.1 27.9 73 74 A N T 3<5S- 0 0 64 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.199 124.4-103.3-103.3 15.3 19.5 -3.4 24.2 74 75 A G T < 5S+ 0 0 63 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.714 75.6 132.0 75.8 25.1 23.0 -1.7 24.3 75 76 A K < - 0 0 10 -5,-2.9 -36,-0.3 -6,-0.2 -1,-0.2 -0.806 50.8-133.0-108.8 148.8 22.0 1.7 22.9 76 77 A Q E -c 39 0A 98 -38,-2.0 -36,-2.1 -2,-0.3 2,-0.4 -0.404 28.7-126.0 -80.3 171.0 22.8 5.3 24.1 77 78 A V E -c 40 0A 0 41,-0.3 43,-0.9 -38,-0.2 44,-0.8 -0.985 11.3-155.1-129.9 132.7 20.0 7.8 24.3 78 79 A R E -cd 41 121A 1 -38,-2.6 -36,-0.7 -2,-0.4 2,-0.4 -0.922 26.8-132.5 -96.2 128.9 19.4 11.3 22.9 79 80 A G E - d 0 122A 0 42,-2.9 44,-3.2 -2,-0.5 2,-0.4 -0.694 20.9-144.5 -84.6 131.5 17.0 13.3 25.1 80 81 A H E - d 0 123A 3 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.959 52.6 -12.6-144.2 116.4 14.3 15.1 23.0 81 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.4 43,-0.2 0.736 36.9 166.4-148.5 154.5 13.3 17.8 23.9 82 83 A L E S+ 0 0 2 41,-2.0 2,-0.3 1,-0.3 43,-0.2 0.744 83.9 22.7 -91.4 -26.9 13.3 20.3 26.8 83 84 A A E S+ d 0 125A 2 41,-0.7 43,-2.0 40,-0.3 2,-0.3 -0.950 74.7 137.1-149.6 117.8 12.0 23.6 25.4 84 85 A W - 0 0 16 -2,-0.3 43,-0.1 41,-0.2 44,-0.1 -0.981 54.4-125.6-163.7 146.3 9.8 23.8 22.3 85 86 A H S S+ 0 0 56 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.693 90.7 70.0 -69.7 -23.8 6.7 25.6 21.0 86 87 A S S S+ 0 0 44 1,-0.2 -38,-0.3 54,-0.0 -2,-0.1 -0.660 95.5 18.1-103.8 155.8 5.0 22.3 20.1 87 88 A Q S S+ 0 0 66 -2,-0.2 -38,-1.6 1,-0.2 -37,-0.2 0.806 78.9 156.8 56.5 34.6 3.5 19.5 22.3 88 89 A Q - 0 0 7 -3,-0.4 -1,-0.2 -40,-0.2 2,-0.0 -0.659 48.1-109.6 -78.2 144.0 3.4 21.7 25.3 89 90 A P >> - 0 0 9 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.368 33.3-106.0 -66.1 157.0 0.9 20.6 28.0 90 91 A G H 3> S+ 0 0 49 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.846 118.4 59.5 -52.5 -40.5 -2.1 22.9 28.3 91 92 A W H 34 S+ 0 0 46 -38,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.821 109.6 43.0 -63.7 -32.5 -0.9 24.4 31.5 92 93 A M H X4 S+ 0 0 4 -3,-1.2 3,-1.2 2,-0.2 -1,-0.2 0.858 106.4 61.5 -80.6 -35.5 2.3 25.6 29.9 93 94 A Q H 3< S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.837 103.1 52.0 -57.6 -33.4 0.5 26.9 26.7 94 95 A S T 3< S+ 0 0 96 -4,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.678 93.4 92.4 -80.1 -14.6 -1.5 29.3 28.9 95 96 A L < + 0 0 29 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.0 -0.471 51.2 175.4 -81.0 152.5 1.6 30.8 30.6 96 97 A S >> - 0 0 88 -2,-0.2 4,-1.6 48,-0.0 3,-1.0 -0.923 41.5 -3.4-142.5 166.1 3.4 33.8 29.3 97 98 A G H 3> S- 0 0 30 44,-0.4 4,-2.4 -2,-0.3 5,-0.1 -0.089 122.4 -5.1 58.8-140.7 6.2 36.1 30.3 98 99 A S H 3> S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.825 134.1 54.9 -64.8 -33.0 8.0 35.7 33.5 99 100 A A H <> S+ 0 0 42 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.926 110.7 46.3 -67.3 -42.0 5.7 32.9 34.8 100 101 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.910 109.6 54.8 -60.9 -44.0 6.4 30.9 31.6 101 102 A R H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.934 109.5 47.0 -56.8 -46.4 10.2 31.6 31.9 102 103 A Q H X S+ 0 0 99 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.922 112.5 49.2 -61.9 -43.4 10.1 30.1 35.4 103 104 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.880 109.3 52.6 -63.7 -36.7 8.1 27.1 34.3 104 105 A M H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.930 112.7 44.8 -60.9 -49.2 10.5 26.5 31.4 105 106 A I H X S+ 0 0 35 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.927 112.9 50.6 -60.1 -48.3 13.5 26.6 33.8 106 107 A D H X S+ 0 0 64 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.890 109.7 51.2 -59.2 -39.5 11.6 24.3 36.3 107 108 A H H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.941 110.5 47.7 -65.4 -46.2 10.8 21.8 33.5 108 109 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.937 113.4 49.0 -57.3 -49.5 14.5 21.6 32.3 109 110 A N H X S+ 0 0 68 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.906 113.0 46.0 -60.3 -43.8 15.7 21.2 35.9 110 111 A G H X S+ 0 0 21 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.910 116.2 42.6 -70.0 -42.7 13.2 18.4 36.7 111 112 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.933 115.3 48.6 -69.5 -45.2 13.7 16.3 33.6 112 113 A M H < S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.876 107.5 56.1 -65.3 -34.1 17.5 16.6 33.5 113 114 A A H >< S+ 0 0 65 -4,-1.8 3,-1.2 -5,-0.3 -1,-0.2 0.921 105.1 52.9 -60.7 -41.6 17.7 15.7 37.2 114 115 A H H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.867 120.7 31.9 -62.5 -33.2 15.8 12.4 36.5 115 116 A Y T >X S+ 0 0 2 -4,-1.4 3,-2.8 -3,-0.1 4,-0.7 0.160 83.2 155.8-108.8 16.3 18.3 11.5 33.7 116 117 A K T <4 S- 0 0 126 -3,-1.2 -3,-0.1 -4,-0.3 45,-0.1 -0.208 76.3 -0.1 -57.0 127.2 21.4 13.1 35.2 117 118 A G T 34 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.389 117.6 85.9 79.6 -0.6 24.5 11.4 33.8 118 119 A K T <4 S+ 0 0 111 -3,-2.8 2,-0.5 1,-0.1 -41,-0.3 0.569 72.8 65.7-110.8 -13.8 22.4 9.0 31.7 119 120 A I < - 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