==== 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 1V0N . 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) . 11219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 71.2 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.6 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 . 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 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 1 A A 0 0 111 0, 0.0 2,-0.3 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 146.9 32.8 -4.4 7.1 2 2 A E - 0 0 68 295,-0.2 299,-0.1 2,-0.1 6,-0.0 -0.815 360.0-136.2-122.6 158.4 29.8 -5.0 9.3 3 3 A S S S+ 0 0 89 -2,-0.3 2,-0.3 5,-0.0 294,-0.1 0.480 83.1 54.7 -97.2 -4.7 26.4 -6.4 8.7 4 4 A T S > S- 0 0 24 1,-0.1 4,-2.3 293,-0.1 5,-0.2 -0.898 81.5-119.1-129.5 156.1 24.3 -3.9 10.6 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.931 109.5 46.8 -63.8 -47.9 24.0 -0.1 10.5 6 6 A G H > S+ 0 0 2 31,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.919 114.6 46.3 -61.6 -47.2 25.1 0.6 14.1 7 7 A A H > S+ 0 0 34 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.889 112.4 52.0 -64.0 -39.2 28.1 -1.7 14.0 8 8 A A H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.930 111.5 46.2 -61.8 -45.6 29.1 -0.3 10.6 9 9 A A H ><>S+ 0 0 1 -4,-2.6 5,-2.2 1,-0.2 3,-1.7 0.879 105.2 62.1 -61.9 -38.6 28.9 3.3 11.9 10 10 A A H ><5S+ 0 0 49 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.749 88.6 69.6 -64.1 -25.1 30.9 2.3 15.1 11 11 A Q T <<5S+ 0 0 139 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.721 106.0 40.3 -65.4 -24.0 33.9 1.3 13.0 12 12 A S T < 5S- 0 0 53 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.204 127.7 -99.4-105.3 12.9 34.4 5.0 12.2 13 13 A G T < 5S+ 0 0 71 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.583 87.1 115.5 84.5 15.6 33.5 6.1 15.8 14 14 A R < - 0 0 36 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.3 -0.580 56.1-129.2-111.5 167.8 29.9 7.1 14.9 15 15 A Y E -a 262 0A 18 246,-1.4 248,-1.8 -2,-0.2 2,-0.4 -0.789 3.2-151.2-111.1 161.1 26.5 5.9 15.9 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.3 246,-0.2 24,-0.7 -0.976 32.3 174.8-130.7 115.9 23.4 4.9 13.8 17 17 A G E -ab 264 40A 0 246,-2.8 248,-2.5 -2,-0.4 2,-0.3 -0.651 20.5-158.4-118.5 174.2 20.2 5.6 15.6 18 18 A T E -ab 265 41A 0 22,-1.8 24,-2.2 246,-0.2 2,-0.4 -0.932 29.6-103.2-140.8 168.8 16.4 5.6 15.4 19 19 A A E - b 0 42A 0 246,-0.9 2,-0.4 -2,-0.3 24,-0.2 -0.829 37.9-154.3 -87.7 133.3 13.3 7.0 17.1 20 20 A I E - b 0 43A 0 22,-2.6 24,-2.5 -2,-0.4 2,-0.5 -0.941 6.4-152.5-117.2 135.2 11.5 4.5 19.3 21 21 A A > - 0 0 5 -2,-0.4 3,-1.7 22,-0.2 4,-0.2 -0.923 10.1-146.6-106.4 122.8 7.9 4.6 20.3 22 22 A S G > S+ 0 0 22 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.829 95.8 60.8 -58.0 -37.0 7.0 3.0 23.6 23 23 A G G 3 S+ 0 0 64 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.645 101.8 55.0 -68.0 -14.2 3.6 1.7 22.5 24 24 A R G X S+ 0 0 74 -3,-1.7 3,-2.1 1,-0.2 -1,-0.3 0.308 73.7 100.0 -98.0 3.0 5.3 -0.4 19.9 25 25 A L T < S+ 0 0 42 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.561 78.6 59.7 -74.8 0.3 7.7 -2.2 22.3 26 26 A S T 3 S+ 0 0 107 -3,-0.4 2,-0.7 -4,-0.1 -1,-0.3 0.332 81.0 100.2 -98.2 3.3 5.2 -5.2 22.2 27 27 A D <> - 0 0 47 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 -0.814 60.6-160.6 -94.8 108.5 5.7 -5.5 18.4 28 28 A S H > S+ 0 0 93 -2,-0.7 4,-1.8 1,-0.2 5,-0.2 0.818 88.6 49.6 -62.2 -38.6 8.2 -8.4 17.8 29 29 A T H > S+ 0 0 62 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.940 114.4 46.7 -65.0 -48.5 9.3 -7.4 14.3 30 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.939 114.5 44.4 -56.3 -52.2 9.9 -3.8 15.4 31 31 A T H X S+ 0 0 31 -4,-2.8 4,-2.2 -7,-0.3 -1,-0.2 0.868 114.3 49.0 -69.6 -35.5 11.8 -4.6 18.5 32 32 A S H X S+ 0 0 73 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.920 115.1 42.9 -71.9 -41.3 14.0 -7.2 16.9 33 33 A I H X S+ 0 0 10 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.950 117.9 45.5 -67.3 -47.7 14.9 -5.1 13.8 34 34 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.901 112.7 51.8 -64.0 -38.8 15.5 -2.0 15.9 35 35 A G H < S+ 0 0 18 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.924 114.8 42.1 -59.6 -45.2 17.5 -4.0 18.4 36 36 A R H < S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 120.4 38.3 -67.2 -43.1 19.7 -5.5 15.8 37 37 A E H < S+ 0 0 1 -4,-2.3 -31,-2.4 -5,-0.2 2,-0.4 0.696 103.6 59.3 -94.1 -23.4 20.3 -2.4 13.6 38 38 A F < - 0 0 5 -4,-1.7 -21,-0.2 -5,-0.2 3,-0.1 -0.882 39.1-175.3-119.6 146.2 20.7 0.7 15.9 39 39 A N S S+ 0 0 40 -23,-2.3 38,-1.8 -2,-0.4 2,-0.3 0.269 76.8 54.6-118.0 16.3 23.1 1.7 18.7 40 40 A M E -bc 17 77A 1 -24,-0.7 -22,-1.8 36,-0.3 2,-0.4 -0.992 64.8-163.7-148.4 141.6 21.4 5.0 19.6 41 41 A V E -bc 18 78A 1 36,-2.1 38,-2.4 -2,-0.3 2,-0.4 -0.990 9.1-171.1-130.3 138.3 17.8 5.8 20.5 42 42 A T E -bc 19 79A 0 -24,-2.2 -22,-2.6 -2,-0.4 2,-0.4 -0.985 33.2-119.4-116.2 136.6 15.7 8.9 20.7 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.621 19.0-146.2 -70.3 128.8 12.2 8.7 22.3 44 44 A E S S- 0 0 20 -24,-2.5 -1,-0.2 -2,-0.4 -23,-0.1 0.867 82.9 -19.5 -66.4 -36.1 9.8 9.7 19.5 45 45 A N S > S+ 0 0 60 -25,-0.4 3,-1.5 3,-0.1 6,-0.4 0.490 114.8 88.3-140.3 -23.6 7.3 11.4 22.0 46 46 A E T 3 S+ 0 0 15 1,-0.3 18,-0.4 17,-0.1 19,-0.1 0.614 89.6 48.6 -73.1 -18.6 7.9 10.2 25.6 47 47 A M T 3 S+ 0 0 0 34,-0.4 -1,-0.3 -4,-0.2 -3,-0.0 0.299 87.2 113.3-104.0 9.3 10.5 12.7 26.6 48 48 A K S <> S- 0 0 12 -3,-1.5 4,-2.2 1,-0.1 5,-0.3 -0.174 83.6 -99.6 -73.3 172.0 8.6 15.8 25.4 49 49 A I H > S+ 0 0 4 38,-0.3 4,-2.3 33,-0.2 40,-0.2 0.910 119.3 47.2 -67.0 -44.4 7.2 18.4 27.7 50 50 A D H 4 S+ 0 0 54 38,-1.5 -1,-0.2 1,-0.2 39,-0.1 0.887 114.3 47.2 -64.7 -39.3 3.6 17.2 27.8 51 51 A A H 4 S+ 0 0 29 -6,-0.4 -2,-0.2 37,-0.2 -1,-0.2 0.881 119.0 38.7 -69.1 -41.6 4.6 13.5 28.4 52 52 A T H < S+ 0 0 0 -4,-2.2 8,-2.3 1,-0.2 -2,-0.2 0.754 129.7 26.2 -86.0 -29.5 7.1 14.2 31.1 53 53 A E < + 0 0 5 -4,-2.3 -1,-0.2 -5,-0.3 6,-0.2 -0.560 65.7 163.1-133.9 72.9 5.3 17.0 33.0 54 54 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.795 76.4 26.7 -67.1 -29.0 1.5 16.5 32.3 55 55 A Q B > S-I 58 0B 120 3,-0.9 3,-2.3 -3,-0.1 2,-0.1 -0.953 108.7 -86.6-127.1 145.9 0.5 18.8 35.3 56 56 A R T 3 S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.330 113.6 4.0 -58.8 126.8 2.8 21.6 36.6 57 57 A G T 3 S+ 0 0 55 1,-0.1 2,-0.6 47,-0.1 -1,-0.3 0.401 107.9 103.8 83.5 -1.9 5.2 20.2 39.1 58 58 A Q B < -I 55 0B 112 -3,-2.3 -3,-0.9 2,-0.0 2,-0.1 -0.872 56.0-163.4-119.2 93.8 4.0 16.6 38.6 59 59 A F - 0 0 75 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.463 9.6-168.2 -80.0 148.8 6.4 14.6 36.6 60 60 A N + 0 0 74 -8,-2.3 4,-0.3 -2,-0.1 3,-0.1 -0.911 15.6 165.2-137.8 102.5 5.6 11.3 34.9 61 61 A F > + 0 0 28 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 0.196 43.7 110.1 -99.7 15.5 8.6 9.3 33.5 62 62 A S H > S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.954 86.4 32.1 -60.4 -52.5 6.8 6.0 33.0 63 63 A S H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.902 119.1 54.3 -73.0 -37.3 6.7 6.0 29.2 64 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.6 -4,-0.3 -2,-0.2 0.916 109.3 48.4 -57.8 -45.6 10.1 7.8 29.0 65 65 A D H X S+ 0 0 41 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.823 103.9 60.3 -69.1 -29.0 11.7 5.2 31.2 66 66 A R H X S+ 0 0 138 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.925 111.6 40.4 -60.1 -44.0 10.2 2.4 29.1 67 67 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.935 117.1 48.0 -67.5 -48.9 12.1 3.8 26.1 68 68 A Y H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.935 114.2 46.4 -59.7 -47.1 15.3 4.6 28.1 69 69 A N H X S+ 0 0 70 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.897 111.0 51.4 -66.3 -38.8 15.4 1.1 29.8 70 70 A W H X S+ 0 0 26 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.933 111.1 50.2 -59.5 -44.8 14.7 -0.7 26.5 71 71 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 3,-0.5 0.958 114.0 42.1 -60.1 -54.3 17.6 1.3 25.0 72 72 A V H ><5S+ 0 0 63 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.935 112.5 54.0 -64.7 -39.1 20.1 0.5 27.8 73 73 A Q H 3<5S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 111.6 47.2 -61.2 -28.2 18.9 -3.2 27.9 74 74 A N T <<5S- 0 0 66 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.173 122.7-103.2-103.2 16.0 19.6 -3.4 24.2 75 75 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.718 76.4 131.7 77.1 22.4 23.1 -1.8 24.3 76 76 A K < - 0 0 16 -5,-2.8 -36,-0.3 -6,-0.2 -1,-0.2 -0.820 50.6-133.8-106.0 149.5 22.1 1.7 22.9 77 77 A Q E -c 40 0A 111 -38,-1.8 -36,-2.1 -2,-0.3 2,-0.4 -0.393 28.5-124.8 -81.0 171.3 22.9 5.2 24.2 78 78 A V E -c 41 0A 1 41,-0.3 43,-1.2 -38,-0.2 44,-0.8 -0.986 11.5-154.9-130.4 131.1 20.1 7.8 24.3 79 79 A R E -cd 42 122A 1 -38,-2.4 -36,-0.7 -2,-0.4 2,-0.4 -0.910 27.3-133.3 -95.0 124.9 19.5 11.3 22.9 80 80 A G E - d 0 123A 0 42,-3.0 44,-3.0 -2,-0.5 2,-0.4 -0.701 20.8-143.7 -81.1 129.4 17.1 13.2 25.1 81 81 A H E - d 0 124A 3 -2,-0.4 -34,-0.4 1,-0.2 44,-0.1 -0.966 52.3 -14.1-142.8 116.4 14.4 15.0 23.0 82 82 A T E + 0 0 0 42,-0.6 -33,-0.2 -2,-0.4 -1,-0.2 0.706 36.9 167.1-150.5 150.0 13.3 17.8 23.9 83 83 A L E S+ 0 0 2 41,-2.0 2,-0.3 1,-0.2 43,-0.2 0.747 84.0 23.9 -89.8 -25.6 13.3 20.2 26.8 84 84 A A E S+ d 0 126A 2 41,-0.8 43,-2.0 40,-0.4 2,-0.3 -0.942 74.8 136.5-149.3 116.5 12.0 23.6 25.4 85 85 A W - 0 0 16 -2,-0.3 43,-0.1 41,-0.2 44,-0.1 -0.982 54.8-125.8-162.4 146.9 9.8 23.7 22.3 86 86 A H S S+ 0 0 58 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.684 90.6 71.6 -69.3 -24.3 6.7 25.5 21.0 87 87 A S S S+ 0 0 44 1,-0.2 -38,-0.3 54,-0.0 -2,-0.1 -0.663 95.4 16.3-102.4 154.9 5.0 22.2 20.1 88 88 A Q S S+ 0 0 67 -2,-0.2 -38,-1.5 1,-0.2 -37,-0.2 0.819 78.8 157.4 54.6 35.0 3.5 19.4 22.3 89 89 A Q - 0 0 7 -3,-0.4 -1,-0.2 -40,-0.2 2,-0.1 -0.652 48.0-109.3 -77.5 145.8 3.4 21.7 25.3 90 90 A P >> - 0 0 10 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.389 33.2-106.1 -68.2 157.2 0.9 20.5 28.0 91 91 A G H 3> S+ 0 0 47 1,-0.3 4,-1.5 2,-0.2 -36,-0.1 0.845 118.5 59.6 -54.3 -39.7 -2.1 22.8 28.3 92 92 A W H 34 S+ 0 0 47 -38,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.825 109.7 42.8 -64.0 -31.4 -0.9 24.3 31.6 93 93 A M H X4 S+ 0 0 5 -3,-1.1 3,-1.4 1,-0.2 -1,-0.2 0.859 107.0 60.6 -81.4 -36.7 2.3 25.6 29.9 94 94 A Q H 3< S+ 0 0 123 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 103.1 53.5 -55.9 -33.8 0.5 26.8 26.8 95 95 A S T 3< S+ 0 0 91 -4,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.598 93.4 91.1 -80.2 -12.0 -1.5 29.2 29.0 96 96 A L < + 0 0 26 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.0 -0.555 51.3 174.6 -86.7 150.9 1.6 30.8 30.6 97 97 A S >> - 0 0 76 -2,-0.2 4,-1.5 48,-0.0 3,-1.0 -0.928 42.5 -2.5-141.6 167.2 3.4 33.8 29.3 98 98 A G H 3> S- 0 0 33 44,-0.3 4,-2.4 -2,-0.3 5,-0.1 -0.092 122.7 -6.2 59.2-140.6 6.2 36.1 30.2 99 99 A S H 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.811 134.2 55.8 -64.4 -32.2 8.1 35.7 33.5 100 100 A A H <> S+ 0 0 44 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.917 110.1 45.9 -64.6 -46.8 5.7 32.9 34.7 101 101 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.918 110.1 55.0 -60.1 -42.3 6.4 30.9 31.5 102 102 A R H X S+ 0 0 37 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 109.1 47.0 -58.5 -44.8 10.2 31.6 31.9 103 103 A Q H X S+ 0 0 97 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.927 112.8 49.0 -63.9 -43.9 10.1 30.2 35.4 104 104 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.876 109.2 53.1 -62.4 -36.3 8.1 27.1 34.3 105 105 A M H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.937 112.6 44.3 -63.0 -48.0 10.6 26.5 31.4 106 106 A I H X S+ 0 0 36 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.933 113.3 51.0 -61.2 -48.0 13.5 26.6 33.8 107 107 A D H X S+ 0 0 64 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.889 109.7 50.6 -59.3 -41.1 11.7 24.3 36.3 108 108 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.3 0.944 110.6 48.2 -65.3 -46.2 10.9 21.8 33.5 109 109 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.934 113.4 48.6 -57.0 -50.5 14.5 21.6 32.3 110 110 A N H X S+ 0 0 67 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.910 112.6 46.6 -59.9 -43.4 15.8 21.1 35.9 111 111 A G H X S+ 0 0 21 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.920 116.0 42.7 -70.8 -42.1 13.3 18.4 36.8 112 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.940 115.7 48.6 -70.3 -44.0 13.8 16.3 33.6 113 113 A M H < S+ 0 0 0 -4,-2.4 4,-0.2 -5,-0.3 -2,-0.2 0.867 108.0 55.0 -66.7 -33.0 17.5 16.6 33.6 114 114 A A H >< S+ 0 0 66 -4,-1.9 3,-1.2 -5,-0.3 -1,-0.2 0.912 105.9 52.5 -62.4 -43.8 17.8 15.7 37.3 115 115 A H H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 121.0 32.4 -60.5 -34.5 15.9 12.4 36.6 116 116 A Y T >X S+ 0 0 2 -4,-1.4 3,-2.7 2,-0.0 4,-0.6 0.169 84.0 156.6-106.9 16.5 18.3 11.5 33.8 117 117 A K T <4 S- 0 0 126 -3,-1.2 -3,-0.1 1,-0.3 45,-0.1 -0.196 75.5 -1.1 -57.7 127.9 21.5 13.1 35.2 118 118 A G T 34 S+ 0 0 53 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.414 116.9 86.8 77.1 3.3 24.6 11.4 33.8 119 119 A K T <4 S+ 0 0 117 -3,-2.7 2,-0.5 1,-0.1 -41,-0.3 0.511 72.0 71.6-113.7 -6.2 22.5 9.0 31.7 120 120 A I < - 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