==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/LECTIN 14-FEB-03 1OD8 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS; . AUTHOR T.M.GLOSTER,S.ROBERTS,G.J.DAVIES . 301 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 70.4 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 . 6 2.0 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 . 35 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.6 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 . 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 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 0 108 0, 0.0 299,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 160.7 29.7 -4.9 9.1 2 3 A S + 0 0 87 5,-0.0 2,-0.3 298,-0.0 294,-0.1 0.469 360.0 53.0-100.2 -6.0 26.3 -6.3 8.5 3 4 A T S > S- 0 0 23 1,-0.1 4,-2.3 293,-0.1 5,-0.2 -0.921 81.4-118.6-131.6 157.2 24.1 -3.9 10.4 4 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.929 110.1 46.3 -64.4 -48.6 23.8 -0.1 10.3 5 6 A G H > S+ 0 0 2 31,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.932 114.6 47.1 -60.7 -45.8 24.9 0.7 13.9 6 7 A A H > S+ 0 0 31 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.888 112.3 50.4 -64.5 -38.5 27.9 -1.7 13.8 7 8 A A H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.927 111.5 47.9 -65.4 -43.7 28.9 -0.3 10.4 8 9 A A H ><>S+ 0 0 1 -4,-2.7 5,-2.2 1,-0.2 3,-1.7 0.893 105.1 61.2 -60.6 -39.0 28.7 3.3 11.7 9 10 A A H ><5S+ 0 0 48 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.748 88.0 70.5 -65.3 -24.0 30.6 2.3 14.8 10 11 A Q T <<5S+ 0 0 144 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.742 105.9 40.5 -64.0 -23.2 33.7 1.4 12.8 11 12 A S T < 5S- 0 0 53 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.178 127.3 -99.6-106.0 12.5 34.2 5.1 12.1 12 13 A G T < 5S+ 0 0 71 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.609 87.3 115.9 83.7 14.5 33.3 6.1 15.7 13 14 A R < - 0 0 37 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.576 56.1-128.7-110.2 168.7 29.7 7.0 14.8 14 15 A Y E -a 261 0A 17 246,-1.4 248,-1.8 -2,-0.2 2,-0.4 -0.817 2.0-152.2-111.0 160.1 26.2 5.9 15.6 15 16 A F E +a 262 0A 0 -2,-0.3 23,-2.3 246,-0.2 24,-0.7 -0.970 33.1 174.3-128.3 116.2 23.2 4.9 13.6 16 17 A G E -ab 263 39A 0 246,-2.9 248,-2.5 -2,-0.4 2,-0.3 -0.615 20.4-157.1-121.1 172.3 20.0 5.5 15.5 17 18 A T E -ab 264 40A 0 22,-1.8 24,-2.1 246,-0.3 2,-0.4 -0.951 29.5-103.7-139.3 164.5 16.3 5.5 15.2 18 19 A A E - b 0 41A 0 246,-1.1 2,-0.4 -2,-0.3 24,-0.2 -0.780 38.6-154.5 -80.2 133.9 13.2 7.0 16.9 19 20 A I E - b 0 42A 0 22,-2.7 24,-2.6 -2,-0.4 2,-0.5 -0.950 5.9-152.0-117.0 135.0 11.5 4.5 19.2 20 21 A A > - 0 0 4 -2,-0.4 3,-1.7 22,-0.2 4,-0.1 -0.923 9.9-146.4-107.1 124.2 7.8 4.5 20.1 21 22 A S G > S+ 0 0 19 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.840 95.6 61.9 -58.1 -37.1 7.0 3.0 23.5 22 23 A G G 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.633 102.1 54.1 -66.9 -13.9 3.6 1.7 22.3 23 24 A R G X S+ 0 0 72 -3,-1.7 3,-2.1 1,-0.2 -1,-0.3 0.274 73.1 100.5-101.2 5.1 5.3 -0.5 19.7 24 25 A L T < S+ 0 0 42 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.546 79.3 59.0 -75.1 -3.0 7.7 -2.2 22.1 25 26 A S T 3 S+ 0 0 109 -3,-0.3 2,-0.8 -4,-0.1 -1,-0.3 0.289 81.2 101.6 -95.2 3.6 5.3 -5.2 22.0 26 27 A D <> - 0 0 47 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 -0.818 60.3-160.3 -94.1 110.0 5.7 -5.5 18.2 27 28 A S H > S+ 0 0 93 -2,-0.8 4,-1.9 1,-0.2 5,-0.2 0.832 88.8 49.2 -63.4 -37.4 8.2 -8.4 17.6 28 29 A T H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.946 114.4 46.5 -64.8 -47.9 9.2 -7.3 14.1 29 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.942 114.6 44.4 -58.7 -52.6 9.8 -3.8 15.3 30 31 A T H X S+ 0 0 30 -4,-2.9 4,-2.2 -7,-0.3 -1,-0.2 0.877 114.5 48.7 -68.6 -35.2 11.8 -4.6 18.3 31 32 A S H X S+ 0 0 72 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.921 115.3 42.5 -72.4 -42.5 13.9 -7.2 16.7 32 33 A I H X S+ 0 0 11 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.947 118.3 45.8 -66.8 -47.4 14.8 -5.1 13.6 33 34 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.904 112.5 51.5 -63.0 -38.2 15.4 -2.0 15.7 34 35 A G H < S+ 0 0 18 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.920 115.1 41.9 -63.5 -43.4 17.4 -4.0 18.2 35 36 A R H < S+ 0 0 118 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.887 120.6 38.4 -67.6 -41.5 19.6 -5.5 15.5 36 37 A E H < S+ 0 0 1 -4,-2.4 -31,-2.3 -5,-0.1 2,-0.4 0.677 103.9 59.4 -96.7 -20.9 20.2 -2.4 13.4 37 38 A F < - 0 0 4 -4,-1.7 -21,-0.2 -5,-0.2 3,-0.1 -0.879 39.5-175.8-121.1 144.1 20.6 0.7 15.6 38 39 A N S S+ 0 0 38 -23,-2.3 38,-1.9 -2,-0.4 2,-0.3 0.240 76.6 54.5-115.8 12.4 23.0 1.7 18.4 39 40 A M E -bc 16 76A 1 -24,-0.7 -22,-1.8 36,-0.3 2,-0.4 -0.992 65.3-162.6-145.0 142.0 21.3 5.0 19.3 40 41 A V E -bc 17 77A 1 36,-2.2 38,-2.5 -2,-0.3 2,-0.4 -0.985 9.2-172.2-129.1 138.3 17.7 5.7 20.3 41 42 A T E -bc 18 78A 0 -24,-2.1 -22,-2.7 -2,-0.4 2,-0.4 -0.986 33.3-119.3-116.9 136.1 15.6 8.8 20.5 42 43 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.619 19.1-146.0 -69.7 129.5 12.1 8.7 22.1 43 44 A E S S- 0 0 19 -24,-2.6 -1,-0.2 -2,-0.4 -23,-0.1 0.877 83.1 -20.0 -65.4 -36.8 9.7 9.6 19.3 44 45 A N S > S+ 0 0 58 -25,-0.4 3,-1.6 3,-0.1 6,-0.4 0.503 114.7 88.7-141.4 -22.2 7.3 11.3 21.7 45 46 A E T 3 S+ 0 0 15 1,-0.3 18,-0.4 17,-0.1 19,-0.1 0.605 89.9 48.0 -75.3 -16.7 7.8 10.2 25.3 46 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.278 87.3 112.8-104.3 9.2 10.5 12.6 26.4 47 48 A K S <> S- 0 0 12 -3,-1.6 4,-2.2 1,-0.1 5,-0.2 -0.178 84.3 -99.1 -75.3 172.5 8.6 15.7 25.1 48 49 A I H > S+ 0 0 3 38,-0.3 4,-2.3 1,-0.2 40,-0.2 0.913 119.4 47.9 -67.7 -44.6 7.2 18.3 27.4 49 50 A D H 4 S+ 0 0 55 38,-1.7 -1,-0.2 1,-0.2 39,-0.1 0.897 114.5 46.3 -62.4 -40.3 3.6 17.1 27.5 50 51 A A H 4 S+ 0 0 28 -6,-0.4 -2,-0.2 37,-0.2 -1,-0.2 0.884 119.2 38.9 -71.0 -39.6 4.5 13.4 28.1 51 52 A T H < S+ 0 0 0 -4,-2.2 8,-2.4 1,-0.2 -2,-0.2 0.761 130.0 25.6 -87.6 -25.5 7.0 14.1 30.8 52 53 A E < + 0 0 4 -4,-2.3 -1,-0.2 6,-0.2 6,-0.2 -0.567 65.8 162.4-136.0 69.0 5.2 16.9 32.7 53 54 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.797 76.8 27.0 -65.2 -28.3 1.5 16.4 32.0 54 55 A Q B > S-I 57 0B 118 3,-0.9 3,-2.4 -3,-0.1 2,-0.0 -0.965 109.7 -86.2-126.3 147.0 0.5 18.7 34.9 55 56 A R T 3 S+ 0 0 115 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.293 113.0 3.2 -58.9 128.0 2.8 21.4 36.2 56 57 A G T 3 S+ 0 0 56 1,-0.1 2,-0.7 47,-0.1 -1,-0.3 0.378 106.9 104.4 80.0 -2.5 5.2 20.1 38.7 57 58 A Q B < -I 54 0B 113 -3,-2.4 -3,-0.9 2,-0.0 2,-0.1 -0.866 56.7-162.1-116.4 94.3 4.0 16.5 38.3 58 59 A F - 0 0 73 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.442 9.1-166.8 -79.1 146.7 6.5 14.5 36.2 59 60 A N + 0 0 74 -8,-2.4 4,-0.3 -2,-0.1 3,-0.1 -0.907 16.8 164.6-134.5 105.8 5.6 11.2 34.5 60 61 A F > + 0 0 29 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 0.212 43.8 109.1-101.4 13.2 8.6 9.3 33.2 61 62 A S H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.952 86.6 32.3 -61.1 -54.6 6.8 6.0 32.7 62 63 A S H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 119.3 54.2 -70.0 -37.5 6.7 5.9 29.0 63 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.916 109.2 48.0 -57.8 -45.3 10.0 7.8 28.7 64 65 A D H X S+ 0 0 40 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.821 104.2 60.1 -70.4 -29.6 11.7 5.2 30.9 65 66 A R H X S+ 0 0 127 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.931 111.6 41.1 -59.3 -43.1 10.2 2.4 28.9 66 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.948 116.8 47.9 -68.6 -49.0 12.1 3.8 25.9 67 68 A Y H X S+ 0 0 31 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.934 114.0 46.5 -57.4 -48.5 15.3 4.5 27.9 68 69 A N H X S+ 0 0 68 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.887 110.4 52.4 -65.2 -38.9 15.3 1.1 29.5 69 70 A W H X S+ 0 0 24 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.933 110.6 50.5 -58.8 -45.4 14.7 -0.6 26.2 70 71 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 3,-0.4 0.963 113.7 41.6 -57.8 -53.6 17.6 1.3 24.7 71 72 A V H ><5S+ 0 0 59 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.919 112.4 54.2 -67.1 -39.5 20.0 0.4 27.5 72 73 A Q H 3<5S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 112.2 46.7 -59.5 -29.7 18.9 -3.2 27.7 73 74 A N T 3<5S- 0 0 65 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.190 123.2-102.9-100.8 14.5 19.5 -3.5 23.9 74 75 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.695 76.1 131.9 77.6 20.5 22.9 -1.8 24.0 75 76 A K < - 0 0 17 -5,-3.0 -36,-0.3 -6,-0.2 -1,-0.2 -0.780 50.6-133.4-103.8 148.0 22.0 1.6 22.7 76 77 A Q E -c 39 0A 111 -38,-1.9 -36,-2.2 -2,-0.3 2,-0.4 -0.410 28.7-126.7 -79.9 172.2 22.8 5.1 23.9 77 78 A V E -c 40 0A 1 41,-0.3 43,-1.3 -38,-0.2 44,-0.8 -0.989 11.3-154.8-132.2 132.0 20.0 7.7 24.1 78 79 A R E -cd 41 121A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.4 -0.912 26.8-131.0 -96.6 129.4 19.4 11.2 22.7 79 80 A G E - d 0 122A 0 42,-3.2 44,-3.1 -2,-0.5 2,-0.4 -0.705 20.8-144.8 -83.9 130.8 17.0 13.2 24.8 80 81 A H E - d 0 123A 2 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.964 53.0 -13.6-142.7 116.2 14.3 14.9 22.8 81 82 A T E + 0 0 0 42,-0.6 -33,-0.2 -2,-0.4 -1,-0.2 0.727 36.6 167.2-150.0 151.3 13.2 17.7 23.6 82 83 A L E S+ 0 0 2 41,-2.0 2,-0.3 1,-0.2 43,-0.2 0.757 84.0 23.2 -89.9 -26.2 13.2 20.1 26.5 83 84 A A E S+ d 0 125A 1 41,-0.7 43,-2.0 40,-0.3 2,-0.3 -0.954 74.1 138.3-149.4 117.4 11.9 23.4 25.1 84 85 A W - 0 0 19 -2,-0.3 43,-0.1 41,-0.2 44,-0.1 -0.983 53.7-128.0-162.0 145.2 9.7 23.5 22.0 85 86 A H S S+ 0 0 57 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.707 91.1 71.7 -70.1 -22.0 6.6 25.4 20.8 86 87 A S S S+ 0 0 43 1,-0.2 -38,-0.3 40,-0.1 -2,-0.1 -0.648 95.7 16.7-102.9 153.9 5.0 22.1 19.9 87 88 A Q S S+ 0 0 65 -2,-0.2 -38,-1.7 1,-0.2 -37,-0.2 0.821 79.2 157.1 55.7 34.7 3.5 19.3 22.0 88 89 A Q - 0 0 7 -3,-0.4 -1,-0.2 -40,-0.2 2,-0.1 -0.667 48.2-109.5 -77.8 145.4 3.4 21.5 25.1 89 90 A P >> - 0 0 9 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.398 33.3-106.7 -68.8 156.8 0.9 20.4 27.7 90 91 A G H 3> S+ 0 0 49 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.850 118.1 59.7 -55.2 -38.2 -2.1 22.7 28.0 91 92 A W H 34 S+ 0 0 47 -38,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.847 109.4 43.5 -64.2 -31.6 -0.9 24.2 31.2 92 93 A M H X4 S+ 0 0 4 -3,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.865 106.9 59.6 -79.3 -36.6 2.3 25.4 29.6 93 94 A Q H 3< S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.838 103.1 54.4 -59.3 -31.3 0.5 26.7 26.5 94 95 A S T 3< S+ 0 0 95 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.621 93.2 91.4 -79.2 -13.6 -1.6 29.0 28.7 95 96 A L < + 0 0 28 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.0 -0.519 50.9 174.4 -85.6 150.4 1.6 30.6 30.3 96 97 A S >> - 0 0 87 -2,-0.2 4,-1.6 48,-0.0 3,-1.0 -0.935 42.6 -2.5-141.0 164.7 3.3 33.7 29.0 97 98 A G H 3> S- 0 0 30 44,-0.4 4,-2.4 -2,-0.3 5,-0.1 -0.093 122.5 -7.2 62.0-142.0 6.1 36.0 29.9 98 99 A S H 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.811 133.9 56.8 -68.0 -30.1 8.0 35.5 33.1 99 100 A A H <> S+ 0 0 42 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.924 109.8 45.8 -64.8 -44.2 5.7 32.8 34.4 100 101 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.920 109.6 55.6 -61.1 -43.4 6.4 30.8 31.2 101 102 A R H X S+ 0 0 37 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 109.0 47.0 -56.2 -46.5 10.1 31.5 31.6 102 103 A Q H X S+ 0 0 98 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.921 112.7 49.0 -62.1 -44.0 10.0 30.0 35.1 103 104 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.870 109.4 52.6 -64.5 -37.0 8.1 27.0 33.9 104 105 A M H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.937 112.7 44.6 -61.4 -47.4 10.5 26.4 31.0 105 106 A I H X S+ 0 0 35 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.926 113.1 51.0 -60.4 -48.5 13.4 26.4 33.5 106 107 A D H X S+ 0 0 65 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.887 109.2 51.0 -59.6 -40.4 11.6 24.2 35.9 107 108 A H H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.934 110.5 48.2 -64.9 -45.4 10.8 21.7 33.2 108 109 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.942 113.1 48.9 -57.7 -48.8 14.4 21.5 32.0 109 110 A N H X S+ 0 0 67 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.911 112.9 46.3 -62.9 -42.0 15.7 21.1 35.6 110 111 A G H X S+ 0 0 21 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.917 116.0 42.8 -69.5 -42.8 13.2 18.3 36.4 111 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.942 115.2 48.9 -69.0 -45.5 13.7 16.2 33.3 112 113 A M H < S+ 0 0 0 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.857 106.8 56.6 -65.9 -33.0 17.4 16.6 33.2 113 114 A A H >< S+ 0 0 66 -4,-1.8 3,-1.0 -5,-0.3 -1,-0.2 0.919 104.9 53.0 -62.1 -40.7 17.7 15.6 36.9 114 115 A H H 3< S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 120.5 32.1 -62.3 -34.6 15.8 12.4 36.2 115 116 A Y T >X S+ 0 0 1 -4,-1.4 3,-3.0 -3,-0.0 4,-0.7 0.195 83.0 154.5-106.7 14.3 18.3 11.5 33.4 116 117 A K T <4 S- 0 0 126 -3,-1.0 45,-0.1 -4,-0.4 -3,-0.1 -0.202 77.0 -0.2 -57.8 127.9 21.4 13.1 34.8 117 118 A G T 34 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.393 118.6 84.5 78.4 0.2 24.5 11.4 33.5 118 119 A K T <4 S+ 0 0 115 -3,-3.0 2,-0.5 1,-0.1 -41,-0.3 0.535 74.0 67.1-110.8 -12.9 22.4 8.9 31.4 119 120 A I < - 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