==== 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 1V0M . 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) . 11029.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.9 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 . 12 4.0 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 . 93 30.8 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 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 0 101 0, 0.0 2,-0.3 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 153.3 33.3 -3.6 8.6 2 2 A E - 0 0 90 295,-0.2 299,-0.1 2,-0.1 6,-0.0 -0.886 360.0-133.1-131.0 162.0 30.3 -4.4 10.7 3 3 A S S S+ 0 0 84 -2,-0.3 2,-0.3 5,-0.0 294,-0.1 0.484 83.6 53.6 -97.7 -7.3 26.9 -5.8 10.0 4 4 A T S > S- 0 0 24 1,-0.1 4,-2.3 293,-0.1 5,-0.2 -0.908 82.4-116.7-130.0 158.7 24.6 -3.4 11.8 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.929 110.8 45.9 -63.8 -49.8 24.3 0.4 11.7 6 6 A G H > S+ 0 0 2 31,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.934 114.7 47.1 -62.7 -44.5 25.3 1.1 15.3 7 7 A A H > S+ 0 0 32 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.881 111.7 51.7 -64.0 -39.0 28.3 -1.2 15.3 8 8 A A H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.924 111.1 47.2 -65.0 -42.5 29.4 0.2 11.9 9 9 A A H ><>S+ 0 0 1 -4,-2.6 5,-2.1 1,-0.2 3,-1.8 0.881 104.4 62.2 -60.6 -38.7 29.2 3.8 13.3 10 10 A A H ><5S+ 0 0 50 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.739 84.2 75.7 -65.7 -20.8 31.1 2.8 16.4 11 11 A Q T <<5S+ 0 0 92 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.809 106.3 36.1 -58.4 -29.8 34.2 1.8 14.4 12 12 A S T < 5S- 0 0 56 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.107 126.9 -98.3-108.2 20.5 34.8 5.6 14.1 13 13 A G T < 5S+ 0 0 74 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.601 87.4 120.3 78.2 9.8 33.5 6.4 17.6 14 14 A R < - 0 0 33 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.512 53.4-132.5-101.7 170.8 30.1 7.4 16.4 15 15 A Y E -a 262 0A 17 246,-1.2 248,-1.8 -2,-0.2 2,-0.4 -0.832 1.3-150.9-114.9 161.2 26.6 6.2 17.1 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.4 246,-0.2 24,-0.7 -0.977 33.0 174.9-130.1 116.8 23.6 5.3 14.9 17 17 A G E -ab 264 40A 0 246,-2.9 248,-2.6 -2,-0.4 2,-0.3 -0.642 20.2-157.1-118.5 174.9 20.3 5.9 16.6 18 18 A T E -ab 265 41A 1 22,-1.9 24,-2.2 246,-0.3 2,-0.4 -0.947 29.6-103.5-141.1 166.1 16.6 5.9 16.3 19 19 A A E - b 0 42A 0 246,-1.1 2,-0.4 -2,-0.3 24,-0.2 -0.784 37.0-155.8 -82.6 134.7 13.5 7.4 17.8 20 20 A I E - b 0 43A 0 22,-2.6 24,-2.6 -2,-0.4 2,-0.5 -0.970 3.6-156.2-118.1 134.2 11.7 4.8 20.0 21 21 A A > - 0 0 8 -2,-0.4 3,-1.9 22,-0.2 4,-0.3 -0.932 13.8-143.3-110.8 128.2 8.0 5.0 20.9 22 22 A S G > S+ 0 0 33 -2,-0.5 3,-1.6 1,-0.3 4,-0.1 0.833 99.3 63.1 -58.5 -34.4 6.7 3.4 24.0 23 23 A G G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.599 102.7 51.1 -68.2 -12.5 3.4 2.3 22.3 24 24 A R G X S+ 0 0 78 -3,-1.9 3,-2.1 1,-0.1 7,-0.3 0.366 79.8 96.8-100.8 -0.8 5.5 0.1 19.9 25 25 A L T < S+ 0 0 32 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.504 78.1 59.1 -78.5 -0.3 7.5 -1.7 22.6 26 26 A S T 3 S+ 0 0 123 -3,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.332 82.5 98.5 -96.8 2.2 5.1 -4.7 22.5 27 27 A D <> - 0 0 55 -3,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.820 61.6-158.9 -94.2 111.8 5.8 -5.2 18.7 28 28 A S H > S+ 0 0 93 -2,-0.7 4,-1.7 1,-0.2 5,-0.2 0.795 90.3 51.7 -64.2 -32.6 8.4 -8.0 18.5 29 29 A T H > S+ 0 0 60 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.941 112.9 46.7 -67.2 -45.3 9.6 -7.0 15.0 30 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.937 114.3 45.1 -60.8 -51.4 10.1 -3.4 16.1 31 31 A T H X S+ 0 0 33 -4,-2.7 4,-2.0 -7,-0.3 -1,-0.2 0.870 115.3 47.0 -67.3 -34.8 11.9 -4.3 19.3 32 32 A S H X S+ 0 0 74 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.917 116.0 42.6 -74.8 -41.3 14.2 -6.9 17.7 33 33 A I H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.946 118.0 46.2 -69.0 -45.6 15.2 -4.8 14.7 34 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 51.2 -62.2 -40.5 15.7 -1.7 16.8 35 35 A G H < S+ 0 0 17 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.930 114.2 43.3 -59.6 -44.0 17.6 -3.6 19.3 36 36 A R H < S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 120.2 37.5 -67.7 -41.3 19.9 -5.1 16.7 37 37 A E H < S+ 0 0 1 -4,-2.2 -31,-2.6 -5,-0.1 2,-0.3 0.724 103.5 60.1 -95.9 -24.5 20.6 -2.0 14.7 38 38 A F < - 0 0 5 -4,-1.7 -21,-0.2 -5,-0.2 3,-0.1 -0.854 38.7-176.0-119.1 143.6 20.9 1.1 16.9 39 39 A N S S+ 0 0 41 -23,-2.4 38,-1.9 -2,-0.3 2,-0.3 0.269 76.9 54.8-116.8 15.0 23.2 2.1 19.8 40 40 A M E -bc 17 77A 1 -24,-0.7 -22,-1.9 36,-0.3 2,-0.4 -0.993 64.9-163.2-147.3 140.6 21.4 5.4 20.6 41 41 A V E -bc 18 78A 0 36,-2.1 38,-2.4 -2,-0.3 2,-0.4 -0.991 8.9-171.5-128.7 138.8 17.8 6.1 21.5 42 42 A T E -bc 19 79A 0 -24,-2.2 -22,-2.6 -2,-0.4 2,-0.4 -0.983 33.0-120.0-116.9 136.0 15.7 9.2 21.5 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.608 18.2-144.8 -72.7 130.3 12.2 9.0 23.0 44 44 A E S S- 0 0 17 -24,-2.6 -1,-0.2 -2,-0.4 -23,-0.1 0.861 83.3 -20.7 -65.8 -35.5 9.8 10.0 20.2 45 45 A N S > S+ 0 0 59 -25,-0.4 3,-1.5 3,-0.1 6,-0.4 0.461 114.2 89.5-141.4 -22.1 7.4 11.7 22.6 46 46 A E T 3 S+ 0 0 14 1,-0.3 18,-0.4 17,-0.2 19,-0.1 0.628 89.7 48.1 -74.5 -16.9 7.8 10.5 26.2 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.299 88.0 111.9-102.7 7.7 10.4 13.0 27.3 48 48 A K S <> S- 0 0 11 -3,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.148 84.0 -98.7 -74.3 174.0 8.5 16.1 26.0 49 49 A I H > S+ 0 0 3 38,-0.3 4,-2.3 1,-0.2 40,-0.2 0.916 119.4 46.8 -67.2 -45.8 7.0 18.7 28.3 50 50 A D H 4 S+ 0 0 55 38,-1.4 -1,-0.2 1,-0.2 39,-0.1 0.879 114.3 47.6 -63.1 -37.6 3.4 17.4 28.2 51 51 A A H 4 S+ 0 0 28 -6,-0.4 -1,-0.2 37,-0.2 12,-0.2 0.857 119.2 37.7 -73.5 -38.9 4.4 13.8 28.8 52 52 A T H < S+ 0 0 0 -4,-2.1 8,-2.4 1,-0.2 -2,-0.2 0.763 128.8 27.1 -87.1 -28.2 6.8 14.5 31.7 53 53 A E < + 0 0 4 -4,-2.3 -1,-0.2 6,-0.2 6,-0.2 -0.617 63.9 165.8-134.5 73.2 5.0 17.3 33.5 54 54 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.757 76.8 25.1 -67.6 -24.7 1.2 16.9 32.8 55 55 A Q B > S-I 58 0B 108 3,-1.0 3,-2.5 -3,-0.1 2,-0.1 -0.976 107.8 -86.0-130.2 149.6 0.3 19.3 35.6 56 56 A R T 3 S+ 0 0 112 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.323 115.1 4.6 -59.2 129.7 2.6 22.0 36.9 57 57 A G T 3 S+ 0 0 57 47,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.314 108.0 103.5 79.4 -2.6 4.8 20.5 39.6 58 58 A Q B < -I 55 0B 128 -3,-2.5 -3,-1.0 2,-0.0 2,-0.2 -0.882 55.6-165.0-118.0 95.3 3.5 17.0 39.0 59 59 A F - 0 0 75 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.516 11.3-169.2 -81.4 150.1 5.9 14.8 37.1 60 60 A N + 0 0 73 -8,-2.4 4,-0.3 -2,-0.2 3,-0.2 -0.878 14.3 166.1-139.7 101.6 5.1 11.6 35.4 61 61 A F > + 0 0 28 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.200 43.7 110.4 -98.5 14.3 8.1 9.7 34.1 62 62 A S H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.957 86.0 33.3 -60.8 -52.0 6.3 6.4 33.5 63 63 A S H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 118.9 53.3 -70.4 -36.5 6.5 6.4 29.7 64 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.9 -4,-0.3 -2,-0.2 0.911 109.8 48.1 -60.5 -46.4 9.8 8.2 29.6 65 65 A D H X S+ 0 0 41 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.845 105.5 58.9 -67.5 -31.5 11.3 5.6 31.9 66 66 A R H X S+ 0 0 103 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.937 112.2 40.1 -60.3 -44.3 9.9 2.8 29.8 67 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.941 117.1 48.8 -67.7 -47.9 11.8 4.1 26.8 68 68 A Y H X S+ 0 0 31 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.928 113.4 46.4 -56.3 -50.2 14.9 4.9 28.9 69 69 A N H X S+ 0 0 71 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.892 110.4 53.1 -64.8 -39.9 15.0 1.5 30.5 70 70 A W H X S+ 0 0 27 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.941 110.7 49.4 -57.7 -44.9 14.4 -0.3 27.2 71 71 A A H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 3,-0.5 0.961 114.1 41.5 -59.2 -52.2 17.4 1.6 25.8 72 72 A V H ><5S+ 0 0 61 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.917 112.2 54.9 -70.2 -36.1 19.8 0.9 28.6 73 73 A Q H 3<5S+ 0 0 145 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 111.6 47.4 -62.1 -26.8 18.7 -2.8 28.8 74 74 A N T 3<5S- 0 0 67 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.180 124.1-102.4-102.8 16.9 19.4 -3.1 25.1 75 75 A G T < 5S+ 0 0 64 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.726 76.3 130.9 77.0 22.4 22.8 -1.4 25.3 76 76 A K < - 0 0 16 -5,-2.8 -36,-0.3 -6,-0.2 -1,-0.2 -0.814 50.4-133.7-107.2 150.6 22.0 2.0 24.0 77 77 A Q E -c 40 0A 111 -38,-1.9 -36,-2.1 -2,-0.3 2,-0.4 -0.410 29.0-124.8 -83.0 173.2 22.7 5.5 25.2 78 78 A V E -c 41 0A 2 41,-0.3 43,-1.3 -38,-0.2 44,-0.8 -0.984 11.3-154.0-132.1 131.4 19.9 8.1 25.3 79 79 A R E -cd 42 122A 1 -38,-2.4 -36,-0.7 -2,-0.4 2,-0.4 -0.909 28.0-133.1 -93.2 125.8 19.4 11.5 23.9 80 80 A G E - d 0 123A 0 42,-3.0 44,-3.0 -2,-0.5 2,-0.4 -0.679 22.0-142.1 -82.9 131.7 17.0 13.5 26.0 81 81 A H E - d 0 124A 3 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.964 51.5 -16.8-144.5 117.4 14.3 15.3 23.9 82 82 A T E + 0 0 0 42,-0.6 -33,-0.2 -2,-0.4 -1,-0.2 0.740 38.0 168.8-150.0 149.4 13.2 18.0 24.6 83 83 A L E S+ 0 0 1 41,-2.0 2,-0.3 1,-0.2 43,-0.2 0.732 81.6 24.3 -90.3 -29.6 13.1 20.5 27.6 84 84 A A E S+ d 0 126A 2 41,-0.8 43,-1.9 40,-0.3 2,-0.3 -0.955 74.7 135.9-145.7 117.4 11.9 23.8 26.2 85 85 A W - 0 0 14 -2,-0.3 43,-0.1 41,-0.2 44,-0.1 -0.978 55.2-126.9-163.9 146.6 9.8 24.1 23.1 86 86 A H S S+ 0 0 57 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.690 90.2 74.0 -71.1 -24.5 6.7 25.9 21.8 87 87 A S S S+ 0 0 41 1,-0.2 -38,-0.3 40,-0.1 -2,-0.1 -0.651 94.6 16.1 -99.6 153.4 5.1 22.6 20.7 88 88 A Q S S+ 0 0 68 -2,-0.2 -38,-1.4 1,-0.2 -1,-0.2 0.810 80.3 159.2 55.9 36.0 3.5 19.8 22.7 89 89 A Q - 0 0 12 -3,-0.4 -1,-0.2 -40,-0.2 -3,-0.0 -0.683 44.9-113.4 -79.8 142.1 3.2 22.0 25.7 90 90 A P >> - 0 0 13 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.362 31.7-106.6 -66.2 154.2 0.7 20.9 28.3 91 91 A G H 3> S+ 0 0 46 1,-0.3 4,-1.4 2,-0.2 -36,-0.1 0.851 117.6 60.6 -50.8 -40.5 -2.3 23.3 28.6 92 92 A W H 34 S+ 0 0 36 -38,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.836 108.4 43.6 -60.5 -35.6 -1.1 24.6 32.0 93 93 A M H X4 S+ 0 0 3 -3,-1.3 3,-1.8 1,-0.2 -1,-0.2 0.839 105.6 61.0 -79.3 -34.8 2.1 25.9 30.4 94 94 A Q H 3< S+ 0 0 127 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.814 101.3 57.1 -58.0 -30.0 0.3 27.3 27.3 95 95 A S T 3< S+ 0 0 104 -4,-1.4 2,-0.3 2,-0.0 -1,-0.3 0.505 93.5 88.7 -78.3 -8.4 -1.6 29.5 29.8 96 96 A L < + 0 0 29 -3,-1.8 2,-0.3 4,-0.1 -3,-0.0 -0.704 49.8 169.8 -96.9 150.0 1.7 31.0 31.2 97 97 A S >> - 0 0 87 -2,-0.3 4,-1.7 48,-0.0 3,-1.0 -0.907 45.6 -3.6-142.9 167.5 3.5 34.1 30.0 98 98 A G H 3> S- 0 0 31 44,-0.4 4,-2.4 -2,-0.3 5,-0.1 -0.069 124.2 -4.2 55.2-139.3 6.3 36.3 31.1 99 99 A S H 3> S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.819 134.3 54.3 -61.8 -33.6 7.9 35.7 34.5 100 100 A A H <> S+ 0 0 39 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.932 111.0 46.2 -68.1 -43.3 5.6 33.0 35.5 101 101 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.908 109.7 55.3 -61.2 -42.4 6.4 31.1 32.3 102 102 A R H X S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.934 109.1 46.4 -58.6 -46.9 10.1 31.7 32.9 103 103 A Q H X S+ 0 0 97 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.923 113.8 48.7 -61.0 -43.7 9.9 30.1 36.3 104 104 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.877 110.2 51.5 -64.3 -38.9 7.9 27.2 35.0 105 105 A M H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.934 113.3 45.0 -61.0 -47.5 10.4 26.7 32.1 106 106 A I H X S+ 0 0 35 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.926 113.1 49.8 -61.8 -48.3 13.2 26.6 34.6 107 107 A D H X S+ 0 0 64 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.885 109.9 51.6 -60.3 -39.9 11.4 24.3 37.0 108 108 A H H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.941 110.8 47.5 -64.0 -47.5 10.6 21.9 34.2 109 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.942 114.2 47.6 -54.5 -51.2 14.2 21.8 33.0 110 110 A N H X S+ 0 0 65 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 113.2 46.9 -62.2 -43.4 15.4 21.2 36.6 111 111 A G H X S+ 0 0 20 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.916 115.9 42.3 -69.0 -43.1 12.9 18.5 37.4 112 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.941 116.2 47.7 -69.0 -47.2 13.4 16.4 34.2 113 113 A M H < S+ 0 0 0 -4,-2.4 3,-0.3 -5,-0.3 -2,-0.2 0.888 109.1 55.0 -64.2 -35.6 17.2 16.7 34.2 114 114 A A H >< S+ 0 0 63 -4,-2.1 3,-1.2 -5,-0.3 -1,-0.2 0.892 103.4 55.8 -61.6 -40.2 17.3 15.8 37.9 115 115 A H H 3< S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 120.7 29.8 -61.2 -32.3 15.4 12.6 37.2 116 116 A Y T >< S+ 0 0 3 -4,-1.2 3,-2.7 -3,-0.3 4,-0.5 0.103 84.3 159.2-111.5 20.0 18.0 11.6 34.6 117 117 A K T < S+ 0 0 125 -3,-1.2 -3,-0.1 1,-0.3 45,-0.1 -0.205 74.9 1.4 -59.3 128.6 21.1 13.2 36.1 118 118 A G T 3 S+ 0 0 53 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.440 116.1 86.8 80.0 -0.2 24.3 11.6 34.8 119 119 A K S < S+ 0 0 118 -3,-2.7 2,-0.5 1,-0.1 -41,-0.3 0.439 70.9 72.9-109.3 -7.4 22.3 9.2 32.6 120 120 A I - 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