==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-03 1R87 . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR M.BAR,G.GOLAN,G.ZOLOTNITSKY,Y.SHOHAM,G.SHOHAM . 371 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.1 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 1 1 1 0 0 1 0 1 1 2 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 6 1 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 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 9 A K 0 0 105 0, 0.0 364,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 49.1 -90.0 -48.1 2 10 A P - 0 0 77 0, 0.0 2,-1.7 0, 0.0 358,-0.1 -0.177 360.0-121.4 -70.6 152.9 47.4 -87.3 -46.0 3 11 A H + 0 0 99 356,-0.1 2,-0.1 3,-0.0 358,-0.1 -0.523 54.6 165.7 -88.1 70.7 48.6 -85.4 -42.9 4 12 A I - 0 0 47 -2,-1.7 356,-3.1 1,-0.1 5,-0.1 -0.437 46.8 -81.5 -88.5 162.8 45.5 -86.6 -40.9 5 13 A S B > -A 359 0A 29 354,-0.3 3,-1.4 1,-0.2 354,-0.3 -0.341 33.3-132.9 -60.1 138.3 45.1 -86.4 -37.2 6 14 A A G > S+ 0 0 0 352,-3.3 3,-1.4 1,-0.3 -1,-0.2 0.750 104.3 68.3 -71.3 -9.3 46.9 -89.4 -35.5 7 15 A L G 3 S+ 0 0 40 351,-0.5 -1,-0.3 1,-0.3 352,-0.1 0.703 104.3 41.2 -82.4 -13.8 43.7 -89.8 -33.5 8 16 A N G < S+ 0 0 84 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.087 100.5 105.9-110.6 27.5 41.8 -90.9 -36.6 9 17 A A S < S- 0 0 0 -3,-1.4 3,-0.1 1,-0.1 -3,-0.0 -0.772 83.4 -87.2-115.9 160.2 44.6 -92.9 -37.8 10 18 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.237 58.8 -98.5 -53.8 137.8 45.2 -96.7 -38.0 11 19 A Q > - 0 0 53 1,-0.1 4,-1.5 -4,-0.1 32,-0.2 -0.375 25.2-153.0 -68.5 126.7 46.8 -97.9 -34.7 12 20 A L H > S+ 0 0 0 -2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.912 94.6 52.6 -69.0 -41.4 50.5 -98.4 -34.9 13 21 A D H > S+ 0 0 22 30,-0.9 4,-0.5 1,-0.2 3,-0.3 0.909 107.3 53.2 -61.8 -37.1 50.7 -101.0 -32.1 14 22 A Q H >4 S+ 0 0 94 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.859 102.3 57.8 -66.6 -32.5 48.0 -103.1 -34.0 15 23 A R H 3< S+ 0 0 34 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.865 119.7 31.4 -63.3 -31.7 50.1 -103.1 -37.2 16 24 A Y H >X S+ 0 0 2 -4,-1.3 4,-2.2 -3,-0.3 3,-2.0 0.362 82.7 118.0-110.1 15.5 52.9 -104.7 -35.3 17 25 A K T << S+ 0 0 132 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.678 81.9 41.2 -62.1 -22.7 51.0 -106.8 -32.7 18 26 A N T 34 S+ 0 0 140 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.522 118.7 48.0 -97.4 -7.6 52.4 -110.1 -33.8 19 27 A E T <4 S- 0 0 57 -3,-2.0 2,-0.3 1,-0.4 283,-0.2 0.882 124.2 -42.8 -96.3 -51.4 55.9 -108.8 -34.4 20 28 A F < - 0 0 10 -4,-2.2 -1,-0.4 -7,-0.2 284,-0.3 -0.940 63.4 -86.2-170.3 161.4 56.8 -106.8 -31.2 21 29 A T E -b 304 0B 24 282,-2.0 284,-2.3 -2,-0.3 2,-0.5 -0.335 35.9-135.4 -74.2 161.2 55.2 -104.3 -28.8 22 30 A I E -b 305 0B 0 282,-0.2 23,-2.4 -2,-0.0 24,-1.0 -0.977 31.2-176.9-122.0 115.6 55.3 -100.6 -29.7 23 31 A G E -bc 306 46B 0 282,-2.7 284,-2.9 -2,-0.5 2,-0.3 -0.666 19.0-154.2-117.5 168.9 56.2 -98.3 -26.9 24 32 A A E -bc 307 47B 0 22,-1.3 24,-1.6 282,-0.2 2,-0.4 -0.998 18.5-128.9-140.2 144.5 56.6 -94.7 -25.8 25 33 A A E - c 0 48B 0 282,-1.7 2,-0.3 -2,-0.3 24,-0.2 -0.746 38.4-178.4 -86.1 137.1 58.6 -92.9 -23.2 26 34 A V E - c 0 49B 0 22,-2.5 24,-2.5 -2,-0.4 25,-0.6 -0.904 29.6-137.7-137.4 164.2 56.6 -90.5 -21.1 27 35 A E >> - 0 0 30 -2,-0.3 3,-1.7 22,-0.2 4,-0.6 -0.883 36.3-114.5-111.8 151.4 56.6 -87.9 -18.3 28 36 A P G >4 S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.866 113.1 62.8 -58.6 -33.0 53.7 -88.0 -15.8 29 37 A Y G >4 S+ 0 0 136 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.781 92.5 65.4 -66.7 -20.2 52.4 -84.6 -16.8 30 38 A Q G X4 S+ 0 0 3 -3,-1.7 3,-1.3 1,-0.3 7,-0.3 0.787 91.3 64.8 -70.2 -18.6 51.7 -86.1 -20.3 31 39 A L G << S+ 0 0 29 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.536 99.9 51.4 -81.6 -1.1 49.1 -88.3 -18.5 32 40 A Q G < S+ 0 0 84 -3,-1.6 2,-0.5 -4,-0.2 -1,-0.3 0.262 91.6 91.0-110.3 7.9 47.2 -85.2 -17.7 33 41 A N S <> S- 0 0 59 -3,-1.3 4,-2.4 1,-0.1 5,-0.3 -0.909 70.4-145.4-106.3 124.4 47.2 -83.9 -21.4 34 42 A E H > S+ 0 0 74 -2,-0.5 4,-2.3 1,-0.2 5,-0.1 0.877 97.3 49.2 -59.8 -41.7 44.1 -85.1 -23.4 35 43 A K H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.926 112.9 46.0 -64.7 -46.5 46.1 -85.4 -26.7 36 44 A D H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 113.6 48.5 -66.0 -37.8 49.0 -87.4 -25.2 37 45 A V H X S+ 0 0 27 -4,-2.4 4,-2.6 -7,-0.3 5,-0.2 0.942 111.6 50.7 -65.1 -43.4 46.6 -89.7 -23.3 38 46 A Q H X S+ 0 0 93 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.879 110.9 49.7 -59.4 -39.6 44.6 -90.2 -26.5 39 47 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.912 110.0 49.2 -66.2 -45.6 47.9 -91.0 -28.4 40 48 A L H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.931 114.0 46.3 -62.1 -42.2 49.0 -93.6 -25.8 41 49 A K H < S+ 0 0 113 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.877 118.4 42.2 -67.6 -35.2 45.7 -95.3 -25.8 42 50 A R H < S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 -29,-0.2 0.931 128.0 18.1 -77.5 -40.3 45.5 -95.3 -29.6 43 51 A H H < S+ 0 0 0 -4,-2.9 -30,-0.9 -5,-0.2 2,-0.3 0.578 107.1 63.6-116.4 -11.0 48.9 -96.3 -30.8 44 52 A F < + 0 0 7 -4,-1.5 -21,-0.2 -5,-0.4 3,-0.1 -0.886 33.2 179.3-123.1 151.8 51.0 -97.9 -28.0 45 53 A N S S+ 0 0 36 -23,-2.4 38,-2.6 -2,-0.3 2,-0.3 0.134 75.6 51.7-131.6 20.4 51.0 -101.0 -26.0 46 54 A S E -cd 23 83B 0 -24,-1.0 -22,-1.3 36,-0.3 2,-0.3 -0.985 62.7-170.7-150.0 149.6 54.2 -100.5 -23.9 47 55 A I E -cd 24 84B 0 36,-1.9 38,-2.0 -2,-0.3 2,-0.3 -0.966 6.5-176.8-142.3 158.3 55.4 -97.6 -21.9 48 56 A V E -cd 25 85B 0 -24,-1.6 -22,-2.5 -2,-0.3 2,-0.6 -0.973 33.5-107.4-149.8 150.8 58.5 -96.5 -20.1 49 57 A A E -c 26 0B 0 36,-0.6 4,-0.2 -2,-0.3 -22,-0.2 -0.761 17.1-154.1 -84.8 123.8 59.4 -93.4 -17.9 50 58 A E S S- 0 0 10 -24,-2.5 -1,-0.2 -2,-0.6 -23,-0.1 0.852 85.3 -18.4 -59.2 -37.3 61.6 -90.9 -19.6 51 59 A N S > S+ 0 0 36 -25,-0.6 3,-1.7 -3,-0.1 6,-0.3 0.601 113.3 82.9-143.0 -30.1 62.9 -89.7 -16.3 52 60 A V T 3 S+ 0 0 17 1,-0.3 18,-0.3 17,-0.1 17,-0.1 0.470 93.4 52.3 -74.6 0.3 60.9 -90.5 -13.1 53 61 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.290 82.6 114.2-109.9 6.8 62.3 -94.0 -12.6 54 62 A K S X> S- 0 0 11 -3,-1.7 4,-2.1 1,-0.1 3,-0.7 -0.340 83.6-103.0 -72.0 160.4 66.0 -92.9 -12.8 55 63 A P H 3> S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 40,-0.2 0.874 120.7 49.4 -53.7 -42.9 68.0 -93.3 -9.5 56 64 A I H 34 S+ 0 0 73 38,-2.7 39,-0.2 1,-0.2 38,-0.1 0.783 112.4 48.9 -72.5 -24.6 68.0 -89.6 -8.6 57 65 A S H <4 S+ 0 0 32 -3,-0.7 -1,-0.2 37,-0.4 9,-0.2 0.876 117.6 39.7 -75.7 -38.6 64.2 -89.5 -9.1 58 66 A I H < S+ 0 0 0 -4,-2.1 8,-2.6 1,-0.2 -2,-0.2 0.902 133.2 15.7 -81.9 -44.0 63.5 -92.6 -7.0 59 67 A Q < + 0 0 4 -4,-2.9 -1,-0.2 6,-0.2 6,-0.2 -0.582 64.8 162.5-132.1 71.7 66.0 -92.1 -4.1 60 68 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.743 78.1 21.2 -60.3 -28.2 67.3 -88.5 -4.0 61 69 A E B > S-J 64 0C 106 3,-0.7 3,-2.8 35,-0.1 2,-0.0 -0.975 108.5 -82.9-135.8 146.7 68.5 -88.9 -0.5 62 70 A E T 3 S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.263 116.7 8.0 -57.6 128.9 69.3 -92.2 1.2 63 71 A G T 3 S+ 0 0 52 1,-0.2 2,-0.8 -4,-0.0 -1,-0.3 0.338 101.2 109.3 81.4 -2.8 66.1 -93.7 2.6 64 72 A K B < -J 61 0C 119 -3,-2.8 -3,-0.7 2,-0.0 2,-0.4 -0.906 48.8-176.0-109.1 104.8 63.8 -91.1 0.9 65 73 A F - 0 0 66 -2,-0.8 2,-0.7 -6,-0.2 -6,-0.2 -0.864 15.4-163.9-105.3 131.2 62.0 -92.9 -1.9 66 74 A N + 0 0 72 -8,-2.6 4,-0.3 -2,-0.4 3,-0.0 -0.888 26.7 151.8-115.9 99.0 59.6 -91.1 -4.3 67 75 A F > + 0 0 22 -2,-0.7 4,-3.3 2,-0.1 5,-0.2 0.371 49.7 95.4 -99.8 -0.6 57.4 -93.7 -6.1 68 76 A E H > S+ 0 0 96 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.947 89.0 38.8 -59.4 -51.1 54.5 -91.2 -6.6 69 77 A Q H > S+ 0 0 51 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.926 119.3 48.1 -65.3 -44.5 55.5 -90.1 -10.2 70 78 A A H > S+ 0 0 0 -18,-0.3 4,-2.3 -4,-0.3 3,-0.4 0.917 107.7 57.0 -60.2 -42.8 56.6 -93.7 -11.1 71 79 A D H X S+ 0 0 24 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.847 100.2 57.6 -58.2 -35.9 53.3 -95.0 -9.7 72 80 A R H X S+ 0 0 80 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.892 108.2 46.5 -65.2 -38.4 51.2 -92.8 -12.0 73 81 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.923 113.2 48.8 -69.2 -41.6 52.9 -94.3 -15.0 74 82 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 111.3 49.3 -64.1 -41.5 52.4 -97.8 -13.7 75 83 A K H X S+ 0 0 143 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.897 111.4 49.2 -66.0 -38.7 48.7 -97.2 -12.9 76 84 A F H X S+ 0 0 29 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.918 111.3 50.4 -65.6 -45.9 48.0 -95.8 -16.3 77 85 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 4,-0.5 0.932 111.7 47.0 -55.4 -47.2 49.8 -98.8 -18.0 78 86 A K H ><5S+ 0 0 124 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.927 110.6 51.5 -64.1 -43.0 47.8 -101.3 -16.0 79 87 A A H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 117.1 41.3 -64.3 -27.1 44.5 -99.5 -16.7 80 88 A N T 3<5S- 0 0 48 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.279 111.7-113.7-106.1 10.1 45.3 -99.5 -20.4 81 89 A G T < 5 + 0 0 65 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.831 63.4 151.2 65.5 33.1 46.7 -103.0 -20.8 82 90 A M < - 0 0 13 -5,-2.9 -36,-0.3 -6,-0.2 -1,-0.2 -0.783 47.5-121.5 -98.7 146.2 50.2 -101.8 -21.6 83 91 A D E -d 46 0B 53 -38,-2.6 -36,-1.9 -2,-0.3 2,-0.4 -0.355 30.7-143.3 -69.3 158.2 53.6 -103.6 -20.9 84 92 A I E -d 47 0B 2 -38,-0.2 61,-1.8 58,-0.2 60,-0.7 -0.982 11.1-161.1-128.0 139.7 55.9 -101.5 -18.7 85 93 A R E -de 48 145B 0 -38,-2.0 2,-0.7 -2,-0.4 -36,-0.6 -0.957 18.2-135.5-114.0 140.7 59.7 -101.2 -18.9 86 94 A F E - e 0 146B 0 59,-2.7 61,-2.9 -2,-0.4 2,-0.5 -0.865 18.0-143.5 -96.1 119.3 61.7 -99.9 -15.9 87 95 A H E - e 0 147B 2 -2,-0.7 -34,-0.5 1,-0.2 61,-0.1 -0.978 60.6 -16.8-123.6 105.6 64.4 -97.3 -16.9 88 96 A T + 0 0 0 59,-0.5 -1,-0.2 -2,-0.5 60,-0.2 0.723 33.0 177.0-159.0 150.6 66.8 -97.7 -15.1 89 97 A L S S+ 0 0 1 58,-2.2 2,-0.4 -3,-0.3 60,-0.2 0.829 90.5 23.5 -72.9 -31.8 68.2 -99.2 -11.8 90 98 A V + 0 0 0 58,-0.5 60,-1.7 57,-0.4 2,-0.3 -0.999 67.9 140.7-140.2 131.3 71.8 -98.1 -12.4 91 99 A W - 0 0 30 -2,-0.4 60,-0.1 58,-0.2 61,-0.1 -0.958 48.4-128.0-161.4 157.7 73.4 -95.3 -14.4 92 100 A H S S+ 0 0 60 58,-0.4 2,-0.3 -2,-0.3 3,-0.2 0.429 95.0 59.2 -89.7 -4.3 76.3 -92.8 -14.0 93 101 A S S S+ 0 0 49 1,-0.2 -37,-0.2 3,-0.0 -2,-0.0 -0.873 105.1 22.0-120.0 160.4 74.0 -89.8 -14.9 94 102 A Q S S+ 0 0 66 -2,-0.3 -38,-2.7 1,-0.2 -37,-0.4 0.910 94.3 131.0 47.4 49.1 70.8 -88.7 -13.0 95 103 A V - 0 0 23 -40,-0.2 -1,-0.2 -3,-0.2 2,-0.1 -0.985 64.1-107.6-131.6 134.9 72.2 -90.6 -10.0 96 104 A P > - 0 0 4 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.418 17.4-135.6 -70.0 138.2 72.4 -89.1 -6.5 97 105 A Q G > S+ 0 0 72 1,-0.2 3,-1.5 2,-0.1 4,-0.1 0.748 93.6 78.3 -64.8 -23.1 75.8 -88.2 -5.2 98 106 A W G > S+ 0 0 38 -38,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.777 80.0 68.8 -61.1 -25.9 75.2 -89.7 -1.8 99 107 A F G < S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.866 102.3 45.7 -55.6 -37.5 75.8 -93.2 -3.1 100 108 A F G < S+ 0 0 24 -3,-1.5 8,-3.3 -4,-0.3 9,-0.4 0.165 88.9 100.8 -98.6 14.2 79.5 -92.4 -3.6 101 109 A L B < -K 107 0D 59 -3,-1.4 5,-0.0 6,-0.3 -3,-0.0 -0.822 66.7-128.8-101.4 137.0 80.3 -90.7 -0.3 102 110 A D > - 0 0 26 4,-3.3 3,-2.1 -2,-0.4 -1,-0.1 -0.122 38.0 -86.8 -75.5-178.9 82.1 -92.6 2.5 103 111 A K T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.768 130.8 49.9 -62.6 -23.0 80.9 -92.7 6.1 104 112 A E T 3 S- 0 0 100 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.307 123.1-105.0 -97.6 8.5 82.8 -89.5 6.9 105 113 A G S < S+ 0 0 48 -3,-2.1 -2,-0.1 1,-0.3 -5,-0.0 0.540 77.1 130.5 84.4 9.1 81.2 -87.8 3.9 106 114 A K S S- 0 0 41 1,-0.1 -4,-3.3 2,-0.0 -1,-0.3 -0.674 70.1 -92.1 -94.7 151.1 84.2 -87.7 1.6 107 115 A P B > -K 101 0D 56 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.401 29.6-142.3 -63.1 128.5 84.0 -88.9 -2.1 108 116 A M G > S+ 0 0 2 -8,-3.3 3,-1.1 1,-0.3 -7,-0.1 0.732 97.3 68.8 -62.5 -24.7 85.0 -92.6 -2.2 109 117 A V G 3 S+ 0 0 53 -9,-0.4 -1,-0.3 1,-0.2 -8,-0.1 0.761 94.1 59.2 -68.9 -19.7 86.8 -92.1 -5.4 110 118 A N G < S+ 0 0 116 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.640 78.8 114.1 -79.7 -14.0 89.4 -90.0 -3.5 111 119 A E < + 0 0 39 -3,-1.1 -3,-0.0 -4,-0.3 9,-0.0 -0.359 34.1 173.6 -65.4 128.6 90.3 -92.9 -1.1 112 120 A T + 0 0 127 -2,-0.2 -1,-0.1 5,-0.0 5,-0.0 0.744 49.3 98.8-103.6 -27.9 93.9 -94.2 -1.4 113 121 A D >> - 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