==== 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 1V0K . 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 S, . 301 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 70.8 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 2.7 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 . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 30.9 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 1 0 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 0 113 0, 0.0 299,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 160.7 30.4 -4.4 10.7 2 3 A S + 0 0 84 5,-0.0 2,-0.3 298,-0.0 294,-0.1 0.512 360.0 51.4-100.0 -7.0 27.0 -5.9 10.1 3 4 A T S > S- 0 0 23 1,-0.1 4,-2.2 293,-0.1 5,-0.2 -0.911 81.3-117.4-129.4 159.1 24.7 -3.4 11.9 4 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.919 111.1 46.9 -61.4 -49.7 24.3 0.4 11.8 5 6 A G H > S+ 0 0 2 31,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.932 114.7 45.8 -61.2 -47.2 25.3 1.1 15.4 6 7 A A H > S+ 0 0 35 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.878 112.5 51.6 -66.1 -36.0 28.3 -1.2 15.4 7 8 A A H >< S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.2 4,-0.3 0.929 111.4 47.2 -66.0 -40.9 29.5 0.3 12.0 8 9 A A H ><>S+ 0 0 1 -4,-2.7 5,-2.0 1,-0.2 3,-1.8 0.893 105.4 61.0 -61.8 -39.0 29.2 3.8 13.4 9 10 A A H ><5S+ 0 0 48 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.740 85.3 74.9 -65.9 -23.5 31.0 2.8 16.5 10 11 A Q T <<5S+ 0 0 147 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.812 105.8 37.0 -57.1 -30.5 34.1 1.9 14.5 11 12 A S T < 5S- 0 0 56 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.151 126.8 -97.9-104.9 17.2 34.7 5.6 14.2 12 13 A G T < 5S+ 0 0 73 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.585 88.5 118.6 79.3 11.7 33.5 6.5 17.7 13 14 A R < - 0 0 33 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.3 -0.515 54.0-132.6-103.4 171.7 30.1 7.5 16.4 14 15 A Y E -a 261 0A 16 246,-1.3 248,-1.8 -2,-0.2 2,-0.4 -0.829 1.0-150.7-118.2 162.4 26.5 6.2 17.1 15 16 A F E +a 262 0A 0 -2,-0.3 23,-2.3 246,-0.2 24,-0.7 -0.977 32.4 175.2-132.3 116.0 23.6 5.3 14.9 16 17 A G E -ab 263 39A 0 246,-3.0 248,-2.5 -2,-0.4 2,-0.3 -0.636 20.5-155.8-118.7 174.8 20.3 5.9 16.6 17 18 A T E -ab 264 40A 1 22,-1.8 24,-2.1 246,-0.3 2,-0.4 -0.940 29.3-104.8-140.0 166.5 16.5 5.9 16.3 18 19 A A E - b 0 41A 0 246,-1.0 2,-0.4 -2,-0.3 24,-0.2 -0.802 37.1-156.0 -84.7 136.2 13.4 7.4 17.8 19 20 A I E - b 0 42A 0 22,-2.7 24,-2.7 -2,-0.4 2,-0.5 -0.961 4.0-156.3-117.8 133.8 11.6 4.8 20.0 20 21 A A > - 0 0 7 -2,-0.4 3,-2.0 22,-0.2 4,-0.3 -0.941 14.0-142.9-109.6 127.9 7.9 5.0 20.8 21 22 A S G > S+ 0 0 26 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.832 99.2 62.7 -58.4 -33.6 6.6 3.3 23.9 22 23 A G G 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.588 102.2 52.2 -68.3 -12.9 3.4 2.2 22.2 23 24 A R G X S+ 0 0 78 -3,-2.0 3,-2.0 1,-0.1 -1,-0.3 0.378 79.4 96.7 -99.1 -1.6 5.4 0.1 19.8 24 25 A L T < S+ 0 0 41 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.433 77.4 59.2 -78.0 -0.7 7.4 -1.8 22.5 25 26 A S T 3 S+ 0 0 112 -3,-0.3 2,-0.7 -4,-0.1 -1,-0.3 0.325 82.7 98.0 -98.0 2.3 5.0 -4.8 22.4 26 27 A D <> - 0 0 53 -3,-2.0 4,-2.7 1,-0.1 5,-0.2 -0.805 61.9-159.9 -93.7 110.6 5.8 -5.3 18.6 27 28 A S H > S+ 0 0 93 -2,-0.7 4,-1.7 1,-0.2 5,-0.2 0.781 89.3 53.3 -66.0 -29.5 8.4 -8.0 18.5 28 29 A T H > S+ 0 0 61 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.940 112.3 46.4 -67.5 -46.1 9.6 -7.1 15.0 29 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.943 114.9 44.7 -59.5 -51.1 10.1 -3.5 16.1 30 31 A T H X S+ 0 0 32 -4,-2.7 4,-2.0 -7,-0.3 -1,-0.2 0.880 115.7 46.5 -69.0 -33.9 11.9 -4.3 19.3 31 32 A S H X S+ 0 0 74 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.913 116.2 42.7 -77.1 -39.9 14.2 -6.9 17.8 32 33 A I H X S+ 0 0 11 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.946 118.5 45.4 -68.7 -45.3 15.2 -4.9 14.7 33 34 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.910 112.9 52.3 -63.9 -39.6 15.7 -1.7 16.8 34 35 A G H < S+ 0 0 17 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.932 114.6 41.8 -57.5 -45.8 17.6 -3.7 19.4 35 36 A R H < S+ 0 0 120 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.882 120.3 39.0 -67.3 -42.5 19.9 -5.2 16.8 36 37 A E H < S+ 0 0 1 -4,-2.4 -31,-2.6 -5,-0.1 2,-0.3 0.736 103.1 58.4 -92.8 -25.2 20.6 -2.1 14.7 37 38 A F < - 0 0 6 -4,-1.7 -21,-0.2 -5,-0.2 3,-0.1 -0.834 39.1-174.5-119.9 146.2 20.9 1.0 16.9 38 39 A N S S+ 0 0 41 -23,-2.3 38,-2.0 -2,-0.3 2,-0.3 0.254 77.3 55.2-119.0 16.7 23.1 2.1 19.8 39 40 A M E -bc 16 76A 2 -24,-0.7 -22,-1.8 36,-0.3 2,-0.4 -0.993 64.2-164.2-148.2 141.5 21.3 5.4 20.6 40 41 A V E -bc 17 77A 0 36,-2.1 38,-2.5 -2,-0.3 2,-0.4 -0.987 8.3-170.6-130.0 137.3 17.7 6.1 21.4 41 42 A T E -bc 18 78A 0 -24,-2.1 -22,-2.7 -2,-0.4 2,-0.4 -0.987 32.3-121.1-115.2 133.9 15.6 9.2 21.5 42 43 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.629 18.6-146.8 -70.0 129.6 12.1 9.0 23.0 43 44 A E S S- 0 0 18 -24,-2.7 -1,-0.2 -2,-0.4 -23,-0.1 0.885 82.5 -17.8 -67.3 -36.6 9.7 10.0 20.2 44 45 A N S > S+ 0 0 65 -25,-0.4 3,-1.8 3,-0.1 6,-0.4 0.546 114.3 86.7-135.9 -28.7 7.2 11.7 22.5 45 46 A E T 3 S+ 0 0 11 1,-0.3 18,-0.4 17,-0.1 19,-0.1 0.585 90.2 48.9 -74.4 -16.1 7.6 10.5 26.1 46 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.291 86.8 113.1-103.4 9.6 10.2 13.0 27.3 47 48 A K S <> S- 0 0 12 -3,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.169 83.3-100.9 -74.9 172.6 8.4 16.1 25.9 48 49 A I H > S+ 0 0 3 38,-0.3 4,-2.3 1,-0.2 40,-0.2 0.903 118.9 48.5 -67.5 -44.2 6.9 18.7 28.3 49 50 A D H 4 S+ 0 0 58 38,-1.4 -1,-0.2 1,-0.2 39,-0.1 0.875 114.3 46.4 -64.3 -36.7 3.3 17.5 28.2 50 51 A A H 4 S+ 0 0 30 -6,-0.4 -2,-0.2 37,-0.2 -1,-0.2 0.885 119.0 39.0 -73.3 -40.5 4.2 13.9 28.8 51 52 A T H < S+ 0 0 0 -4,-2.3 8,-2.3 1,-0.2 -2,-0.2 0.751 129.6 25.2 -86.5 -26.1 6.7 14.5 31.7 52 53 A E < + 0 0 2 -4,-2.3 -1,-0.2 6,-0.2 6,-0.2 -0.572 63.8 164.5-136.1 71.4 4.8 17.3 33.5 53 54 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.754 77.0 26.0 -68.2 -21.6 1.1 17.0 32.7 54 55 A Q B > S-I 57 0B 113 3,-1.2 3,-2.3 -3,-0.1 2,-0.1 -0.972 108.0 -84.6-132.4 149.5 0.2 19.3 35.6 55 56 A R T 3 S+ 0 0 112 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.339 113.5 2.1 -57.8 132.7 2.5 22.0 37.1 56 57 A G T 3 S+ 0 0 55 1,-0.1 2,-0.7 47,-0.1 -1,-0.3 0.269 109.8 104.1 77.8 -6.1 4.9 20.6 39.7 57 58 A Q B < -I 54 0B 135 -3,-2.3 -3,-1.2 -5,-0.0 2,-0.2 -0.894 55.9-164.5-116.9 100.6 3.5 17.1 39.1 58 59 A F - 0 0 69 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.558 13.4-166.1 -89.4 151.3 5.8 14.9 37.0 59 60 A N + 0 0 80 -8,-2.3 4,-0.3 -2,-0.2 3,-0.1 -0.913 16.1 164.7-137.9 101.0 5.0 11.6 35.2 60 61 A F > + 0 0 30 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 0.260 44.2 108.1 -98.6 12.9 8.0 9.7 34.1 61 62 A S H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.944 86.7 32.7 -61.5 -52.7 6.2 6.3 33.5 62 63 A S H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 118.4 54.5 -73.3 -36.3 6.3 6.3 29.7 63 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.9 -4,-0.3 -1,-0.2 0.915 109.5 48.1 -57.0 -45.5 9.7 8.1 29.5 64 65 A D H X S+ 0 0 39 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.830 104.1 60.2 -69.9 -29.5 11.2 5.5 31.8 65 66 A R H X S+ 0 0 128 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.929 112.5 39.8 -59.9 -43.4 9.7 2.7 29.7 66 67 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.946 117.1 48.0 -68.6 -48.7 11.7 4.1 26.8 67 68 A Y H X S+ 0 0 29 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.932 114.1 46.5 -57.0 -49.1 14.8 4.9 28.8 68 69 A N H X S+ 0 0 69 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.890 110.7 52.4 -64.1 -40.3 14.9 1.4 30.5 69 70 A W H X S+ 0 0 26 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.940 110.7 49.8 -58.7 -45.6 14.3 -0.3 27.2 70 71 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 3,-0.3 0.961 114.0 41.9 -58.2 -52.9 17.3 1.6 25.8 71 72 A V H ><5S+ 0 0 62 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.916 111.8 55.2 -66.6 -38.8 19.7 0.8 28.6 72 73 A Q H 3<5S+ 0 0 148 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 111.5 46.7 -58.3 -32.8 18.5 -2.9 28.8 73 74 A N T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.172 123.3-103.1 -99.5 14.1 19.4 -3.1 25.1 74 75 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.708 75.5 133.3 78.3 24.0 22.7 -1.4 25.4 75 76 A K < - 0 0 15 -5,-2.9 -36,-0.3 -6,-0.2 -1,-0.2 -0.810 49.7-133.9-106.2 146.8 21.8 2.0 24.0 76 77 A Q E -c 39 0A 105 -38,-2.0 -36,-2.1 -2,-0.3 2,-0.4 -0.401 29.0-126.0 -79.9 172.3 22.6 5.5 25.2 77 78 A V E -c 40 0A 1 41,-0.3 43,-1.7 -38,-0.2 44,-0.9 -0.983 11.5-154.2-131.5 132.4 19.8 8.1 25.3 78 79 A R E -cd 41 121A 1 -38,-2.5 -36,-0.7 -2,-0.4 2,-0.4 -0.920 27.8-132.5 -95.0 127.7 19.3 11.6 23.9 79 80 A G E - d 0 122A 0 42,-3.0 44,-3.1 -2,-0.5 2,-0.4 -0.686 20.5-142.0 -83.9 132.2 16.8 13.5 25.9 80 81 A H E - d 0 123A 2 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.961 53.4 -15.5-143.2 114.3 14.1 15.2 23.9 81 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.4 43,-0.2 0.751 37.5 168.4-153.1 150.8 13.1 18.0 24.7 82 83 A L E S+ 0 0 2 41,-2.0 2,-0.4 1,-0.2 43,-0.2 0.736 82.7 23.6 -90.6 -28.9 13.1 20.5 27.6 83 84 A A E S+ d 0 125A 2 41,-0.8 43,-1.9 40,-0.3 2,-0.3 -0.958 74.6 137.6-147.7 117.7 11.8 23.8 26.3 84 85 A W - 0 0 14 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.981 54.2-128.2-164.0 145.2 9.7 24.1 23.1 85 86 A H S S+ 0 0 57 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.698 90.4 72.2 -70.0 -23.5 6.7 25.9 21.8 86 87 A S S S+ 0 0 42 1,-0.2 -38,-0.3 40,-0.2 -2,-0.1 -0.642 95.3 17.0-101.2 155.4 5.0 22.7 20.7 87 88 A Q S S+ 0 0 70 -2,-0.2 -38,-1.4 1,-0.2 -1,-0.2 0.788 80.3 159.0 55.1 31.2 3.5 19.8 22.7 88 89 A Q - 0 0 14 -3,-0.4 -1,-0.2 -40,-0.2 2,-0.1 -0.630 44.8-114.1 -76.9 143.3 3.2 22.1 25.8 89 90 A P >> - 0 0 10 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.406 32.3-106.4 -70.7 155.3 0.6 21.0 28.4 90 91 A G H 3> S+ 0 0 46 1,-0.3 4,-1.4 2,-0.2 -36,-0.1 0.831 116.8 60.8 -54.7 -38.2 -2.3 23.4 28.8 91 92 A W H 34 S+ 0 0 35 -38,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.848 108.5 44.5 -61.4 -32.8 -1.2 24.7 32.1 92 93 A M H X4 S+ 0 0 3 -3,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.857 105.2 60.5 -80.1 -35.2 2.0 25.9 30.5 93 94 A Q H 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.825 101.3 57.6 -57.4 -31.3 0.2 27.4 27.5 94 95 A S T 3< S+ 0 0 100 -4,-1.4 2,-0.3 2,-0.0 -1,-0.3 0.521 93.0 88.4 -77.1 -10.3 -1.6 29.6 30.0 95 96 A L < + 0 0 28 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.692 50.3 171.5 -96.1 150.4 1.6 31.1 31.4 96 97 A S >> - 0 0 76 -2,-0.3 4,-1.7 48,-0.0 3,-1.0 -0.906 45.9 -4.9-141.4 167.6 3.4 34.2 30.1 97 98 A G H 3> S- 0 0 33 44,-0.4 4,-2.4 -2,-0.3 5,-0.1 -0.063 124.3 -3.7 54.2-137.2 6.3 36.4 31.2 98 99 A S H 3> S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.814 134.0 54.4 -64.4 -34.1 7.9 35.8 34.5 99 100 A A H <> S+ 0 0 41 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.924 111.5 45.8 -65.1 -44.4 5.5 33.1 35.6 100 101 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.908 109.4 56.2 -62.4 -41.7 6.3 31.1 32.4 101 102 A R H X S+ 0 0 37 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 109.0 45.7 -57.9 -45.9 10.0 31.7 32.9 102 103 A Q H X S+ 0 0 97 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.907 113.2 49.6 -62.7 -44.0 9.8 30.2 36.4 103 104 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.872 109.5 52.3 -62.9 -38.0 7.8 27.2 35.1 104 105 A M H X S+ 0 0 4 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.934 113.1 44.4 -60.9 -46.9 10.3 26.7 32.2 105 106 A I H X S+ 0 0 36 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.922 113.0 50.3 -63.7 -46.8 13.2 26.6 34.7 106 107 A D H X S+ 0 0 65 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.879 109.5 51.8 -61.9 -38.8 11.3 24.4 37.1 107 108 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.942 110.6 47.7 -64.1 -48.2 10.5 21.9 34.2 108 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.943 113.7 48.3 -53.7 -50.6 14.1 21.7 33.1 109 110 A N H X S+ 0 0 66 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.892 112.6 46.9 -61.5 -42.4 15.2 21.2 36.7 110 111 A G H X S+ 0 0 24 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.910 116.3 42.0 -70.0 -44.9 12.7 18.4 37.5 111 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.934 115.5 48.9 -68.4 -45.1 13.2 16.4 34.3 112 113 A M H < S+ 0 0 0 -4,-2.5 3,-0.3 -5,-0.3 -2,-0.2 0.891 107.7 55.6 -65.6 -34.8 17.0 16.7 34.3 113 114 A A H >< S+ 0 0 64 -4,-2.0 3,-1.2 -5,-0.3 -1,-0.2 0.889 103.7 54.9 -59.5 -41.5 17.2 15.7 38.0 114 115 A H H 3< S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 120.3 31.5 -62.5 -30.5 15.3 12.5 37.2 115 116 A Y T >X S+ 0 0 2 -4,-1.3 3,-2.9 -3,-0.3 4,-0.7 0.147 83.4 157.4-112.0 18.8 17.8 11.6 34.6 116 117 A K T <4 S- 0 0 124 -3,-1.2 -3,-0.1 1,-0.3 45,-0.1 -0.191 76.5 -0.8 -58.2 126.8 20.9 13.2 36.2 117 118 A G T 34 S+ 0 0 52 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.439 118.1 85.1 79.1 0.6 24.1 11.5 34.8 118 119 A K T <4 S+ 0 0 115 -3,-2.9 2,-0.5 1,-0.1 -41,-0.3 0.531 72.3 71.4-109.9 -12.6 22.0 9.1 32.7 119 120 A I < - 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