==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-06 2CC0 . COMPND 2 MOLECULE: ACETYL-XYLAN ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS; . AUTHOR E.J.TAYLOR,T.M.GLOSTER,J.P.TURKENBURG,F.VINCENT, . 384 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 0 0 2 0 0 6 2 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 2 2 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 . 0 2 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 . 4 0 0 0 0 2 0 0 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 0 102 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 159.2 11.8 15.6 -23.1 2 2 A A + 0 0 93 1,-0.3 2,-0.5 2,-0.1 174,-0.0 0.891 360.0 32.4 -59.1 -40.1 15.3 14.4 -22.3 3 3 A a + 0 0 43 1,-0.1 -1,-0.3 175,-0.0 174,-0.2 -0.897 62.8 164.6-122.0 100.0 13.6 12.6 -19.4 4 4 A N S S- 0 0 113 172,-2.9 2,-0.3 -2,-0.5 173,-0.2 0.602 76.8 -6.8 -83.5 -13.5 10.0 11.4 -20.1 5 5 A G E S-a 177 0A 3 171,-0.9 173,-2.3 -4,-0.1 2,-0.4 -0.962 70.8-118.5-168.2 174.2 10.1 9.2 -17.0 6 6 A Y E -a 178 0A 57 -2,-0.3 143,-3.6 183,-0.3 2,-0.3 -0.956 14.2-162.1-131.1 143.4 12.5 7.9 -14.3 7 7 A V E -a 179 0A 0 171,-2.6 173,-3.3 -2,-0.4 2,-0.8 -0.862 23.5-121.4-119.4 161.0 13.7 4.5 -13.2 8 8 A G E -b 151 0B 0 142,-3.1 144,-2.5 -2,-0.3 2,-0.4 -0.829 24.0-168.6-105.0 94.0 15.3 3.4 -9.9 9 9 A L E -b 152 0B 1 -2,-0.8 25,-2.4 23,-0.4 2,-0.3 -0.700 16.3-179.9 -77.4 131.1 18.8 1.9 -10.5 10 10 A T E -bc 153 34B 0 142,-1.0 144,-0.9 -2,-0.4 2,-0.4 -0.978 20.5-161.8-135.9 149.2 20.0 0.3 -7.3 11 11 A F E -bc 154 35B 1 23,-2.3 25,-2.0 -2,-0.3 3,-0.3 -0.971 15.0-155.2-133.8 115.6 23.1 -1.6 -6.2 12 12 A D E +bc 155 36B 4 142,-2.5 144,-2.9 -2,-0.4 145,-0.4 -0.593 59.7 24.7 -87.9 148.6 23.1 -3.9 -3.1 13 13 A D S S+ 0 0 25 23,-2.2 24,-0.2 1,-0.3 -1,-0.2 0.471 88.5 160.0 90.2 14.0 25.9 -5.0 -0.8 14 14 A G + 0 0 0 22,-0.4 24,-1.9 -3,-0.3 -1,-0.3 -0.260 35.6 80.1 -93.2-170.6 28.6 -2.4 -0.9 15 15 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.673 66.4 132.8 -87.6 175.7 30.8 -0.8 -0.5 16 16 A S S > S- 0 0 31 -2,-0.1 3,-1.5 140,-0.1 4,-0.5 -0.888 73.8 -71.2-169.2 166.2 33.6 -3.1 -1.6 17 17 A G T 3 S+ 0 0 87 -2,-0.3 4,-0.3 1,-0.2 -3,-0.0 0.572 129.6 56.4 -60.2 -9.4 36.8 -3.1 -3.7 18 18 A S T 3> S+ 0 0 48 2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.542 85.1 85.9 -93.7 -13.8 34.5 -2.9 -6.8 19 19 A T H <> S+ 0 0 0 -3,-1.5 4,-3.0 1,-0.2 5,-0.2 0.908 83.2 50.3 -63.8 -49.6 32.7 0.2 -5.7 20 20 A Q H > S+ 0 0 81 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.915 111.5 49.6 -59.1 -42.3 35.0 3.0 -7.0 21 21 A S H > S+ 0 0 68 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.917 113.0 48.0 -59.9 -42.8 35.1 1.4 -10.5 22 22 A L H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.922 111.5 49.2 -62.6 -46.1 31.3 1.1 -10.5 23 23 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.914 110.4 51.1 -61.8 -42.5 30.9 4.7 -9.4 24 24 A N H X S+ 0 0 72 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.919 111.4 48.0 -60.8 -44.0 33.3 6.0 -12.1 25 25 A A H X S+ 0 0 12 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.927 112.2 49.1 -61.3 -47.8 31.3 4.1 -14.7 26 26 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-0.6 0.963 114.4 43.7 -57.5 -53.8 28.0 5.4 -13.5 27 27 A R H ><5S+ 0 0 156 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.904 111.2 54.1 -61.1 -40.7 29.1 9.1 -13.4 28 28 A Q H 3<5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 112.4 45.5 -64.1 -25.2 30.9 8.8 -16.8 29 29 A N T <<5S- 0 0 55 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.272 117.8-112.8-102.5 9.9 27.6 7.5 -18.3 30 30 A G T < 5 + 0 0 63 -3,-1.6 2,-0.4 1,-0.2 149,-0.3 0.775 68.7 141.0 71.4 29.8 25.5 10.2 -16.6 31 31 A L < - 0 0 10 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.835 34.7-164.2-110.2 143.6 23.7 7.8 -14.3 32 32 A R + 0 0 98 -2,-0.4 -23,-0.4 25,-0.0 2,-0.3 -0.871 17.5 171.1-118.0 155.6 22.7 8.2 -10.6 33 33 A A - 0 0 0 -2,-0.3 25,-2.2 23,-0.2 2,-0.5 -0.961 35.3-104.9-157.8 166.3 21.6 5.3 -8.4 34 34 A T E -cd 10 58B 1 -25,-2.4 -23,-2.3 -2,-0.3 2,-0.7 -0.926 27.6-152.2-104.8 123.8 20.8 4.2 -4.9 35 35 A M E -cd 11 59B 1 23,-3.2 25,-3.2 -2,-0.5 2,-1.3 -0.876 0.8-157.1 -99.8 112.7 23.4 2.1 -3.1 36 36 A F E -cd 12 60B 0 -25,-2.0 -23,-2.2 -2,-0.7 -22,-0.4 -0.753 25.0-167.9 -91.2 89.9 21.9 -0.2 -0.5 37 37 A N E - d 0 61B 1 23,-1.9 25,-2.1 -2,-1.3 2,-0.4 -0.542 22.0-123.4 -80.5 147.1 25.0 -0.7 1.7 38 38 A Q >> - 0 0 11 -24,-1.9 4,-2.2 -2,-0.2 3,-0.6 -0.710 23.0-128.7 -80.9 139.4 25.5 -3.2 4.5 39 39 A G H 3> S+ 0 0 0 24,-2.5 4,-2.8 -2,-0.4 5,-0.2 0.888 106.9 57.5 -56.1 -40.4 26.3 -1.5 7.8 40 40 A Q H 3> S+ 0 0 46 24,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.882 110.6 43.6 -61.4 -36.8 29.4 -3.7 8.4 41 41 A Y H <> S+ 0 0 78 -3,-0.6 4,-1.5 23,-0.3 -1,-0.2 0.824 111.2 53.1 -78.0 -33.0 30.9 -2.5 5.0 42 42 A A H < S+ 0 0 0 -4,-2.2 7,-0.2 -28,-0.2 -2,-0.2 0.916 111.6 48.0 -62.2 -43.0 30.0 1.1 5.6 43 43 A A H < S+ 0 0 51 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.0 45.0 -62.8 -39.8 31.8 0.9 9.0 44 44 A Q H < S+ 0 0 123 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.713 124.0 32.5 -78.6 -22.2 34.8 -0.8 7.3 45 45 A N >X + 0 0 50 -4,-1.5 4,-1.7 1,-0.1 3,-0.8 -0.451 61.8 156.9-135.9 59.4 35.0 1.6 4.4 46 46 A P H 3> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 77.4 57.1 -59.1 -36.6 33.8 5.1 5.4 47 47 A S H 3> S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.839 106.1 50.1 -60.8 -34.9 35.8 6.8 2.6 48 48 A L H <> S+ 0 0 35 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.824 104.8 57.3 -74.7 -29.6 33.9 4.7 0.0 49 49 A V H X S+ 0 0 0 -4,-1.7 4,-1.5 -7,-0.2 3,-0.2 0.954 110.2 44.6 -60.5 -48.4 30.6 5.6 1.6 50 50 A R H X S+ 0 0 105 -4,-2.1 4,-2.9 41,-0.3 -2,-0.2 0.857 106.1 61.0 -60.4 -36.8 31.5 9.3 0.9 51 51 A A H X S+ 0 0 13 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.892 101.7 53.5 -61.9 -35.1 32.7 8.3 -2.6 52 52 A Q H <>S+ 0 0 0 -4,-1.8 5,-2.6 -3,-0.2 4,-0.4 0.939 110.7 45.8 -62.7 -46.2 29.2 7.2 -3.4 53 53 A V H ><5S+ 0 0 46 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.937 111.9 51.0 -60.1 -48.0 27.8 10.6 -2.3 54 54 A D H 3<5S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.728 105.2 57.4 -66.4 -20.6 30.5 12.5 -4.2 55 55 A A T 3<5S- 0 0 13 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.525 125.7-101.2 -83.3 -8.7 29.6 10.4 -7.3 56 56 A G T < 5S+ 0 0 15 -3,-1.8 -3,-0.2 -4,-0.4 -23,-0.2 0.614 77.2 137.2 96.3 19.2 25.9 11.6 -7.1 57 57 A M < - 0 0 8 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.525 50.6-129.5 -92.2 162.7 24.5 8.4 -5.5 58 58 A W E -d 34 0B 62 -25,-2.2 -23,-3.2 -2,-0.2 2,-0.4 -0.833 23.0-139.4-103.7 146.8 21.9 8.1 -2.7 59 59 A V E +d 35 0B 15 34,-0.4 38,-0.3 -2,-0.3 2,-0.2 -0.939 23.8 179.6-116.3 133.4 22.9 5.7 0.2 60 60 A A E -d 36 0B 1 -25,-3.2 -23,-1.9 -2,-0.4 2,-0.4 -0.773 31.0 -93.0-133.5 169.5 20.4 3.4 1.8 61 61 A N E +de 37 99B 0 37,-2.6 39,-2.4 -2,-0.2 -23,-0.2 -0.741 32.9 167.4 -93.7 126.6 20.2 0.7 4.5 62 62 A H - 0 0 2 -25,-2.1 4,-0.2 1,-0.5 -24,-0.1 -0.012 60.1 -91.6-126.0 32.1 20.7 -3.0 3.7 63 63 A S - 0 0 0 -26,-0.1 -24,-2.5 18,-0.1 -1,-0.5 0.022 39.6 -90.9 72.6 171.5 21.1 -4.3 7.3 64 64 A Y S S+ 0 0 51 -26,-0.3 -24,-2.0 -25,-0.2 -23,-0.3 0.905 114.2 6.7 -84.3 -43.7 24.4 -4.7 9.2 65 65 A T S S- 0 0 59 -26,-0.1 -2,-0.1 -25,-0.1 -1,-0.1 0.243 98.6-110.9-127.2 7.9 25.4 -8.3 8.3 66 66 A H + 0 0 34 -4,-0.2 -3,-0.1 1,-0.1 2,-0.1 0.898 54.8 168.3 63.3 46.1 22.8 -9.4 5.7 67 67 A P - 0 0 23 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.376 54.1 -94.4 -78.2 167.5 20.9 -12.0 7.8 68 68 A H > - 0 0 62 1,-0.2 3,-1.9 -2,-0.1 4,-0.2 -0.740 47.9-160.6 -74.8 99.1 17.5 -13.5 6.9 69 69 A M G > S+ 0 0 0 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.784 81.2 61.7 -62.8 -32.5 15.8 -10.8 9.0 70 70 A T G 3 S+ 0 0 50 1,-0.3 -1,-0.3 35,-0.1 36,-0.1 0.628 97.3 61.4 -73.5 -10.4 12.5 -12.7 9.4 71 71 A Q G < S+ 0 0 149 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.482 95.7 83.1 -86.9 -4.6 14.4 -15.4 11.2 72 72 A L S < S- 0 0 44 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.613 82.7-112.7 -96.6 156.0 15.4 -12.9 13.9 73 73 A G > - 0 0 37 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.424 40.2-101.1 -74.0 164.2 13.6 -11.6 17.0 74 74 A Q H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 121.8 54.2 -56.3 -43.1 12.5 -7.9 17.0 75 75 A A H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 109.7 47.5 -59.6 -42.1 15.4 -6.8 19.2 76 76 A Q H > S+ 0 0 113 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.880 111.8 50.2 -66.8 -38.7 18.0 -8.4 16.7 77 77 A M H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.920 110.2 51.2 -63.5 -42.2 16.2 -6.7 13.8 78 78 A D H X S+ 0 0 26 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.937 110.0 49.2 -59.8 -47.7 16.3 -3.4 15.6 79 79 A S H X S+ 0 0 46 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.922 111.0 49.6 -57.2 -46.3 20.1 -3.9 16.2 80 80 A E H X S+ 0 0 17 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.918 117.4 39.9 -61.4 -45.3 20.8 -4.7 12.6 81 81 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.950 117.2 46.8 -71.3 -47.9 18.8 -1.7 11.3 82 82 A S H X S+ 0 0 13 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.906 110.2 52.3 -64.6 -41.2 20.0 0.9 13.9 83 83 A R H X S+ 0 0 84 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.858 110.2 50.3 -63.1 -34.4 23.7 -0.1 13.7 84 84 A T H X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.3 5,-0.3 0.892 107.8 51.6 -71.2 -39.5 23.5 0.4 9.9 85 85 A Q H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.954 114.3 46.0 -55.3 -47.9 21.8 3.9 10.3 86 86 A Q H X S+ 0 0 125 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.891 112.4 48.8 -64.0 -44.1 24.7 4.8 12.6 87 87 A A H X S+ 0 0 16 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.912 114.4 44.5 -67.2 -42.2 27.4 3.4 10.3 88 88 A I H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-0.4 0.949 116.8 45.0 -68.1 -46.3 26.2 5.1 7.2 89 89 A A H ><5S+ 0 0 38 -4,-2.5 3,-1.6 -5,-0.3 5,-0.4 0.921 111.6 53.7 -60.4 -45.0 25.6 8.4 8.9 90 90 A G H 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 106.8 52.7 -59.1 -32.7 29.0 8.2 10.7 91 91 A A T 3<5S- 0 0 12 -4,-1.5 -41,-0.3 -5,-0.2 -1,-0.3 0.497 124.1-101.0 -83.1 -5.3 30.7 7.7 7.4 92 92 A G T < 5S+ 0 0 27 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.581 88.8 121.3 95.4 10.3 29.1 10.8 5.8 93 93 A G S - 0 0 1 0, 0.0 3,-2.2 0, 0.0 5,-0.1 -0.451 32.2-102.2 -66.3 137.3 15.4 -6.3 3.4 102 102 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -33,-0.3 -0.361 108.8 7.1 -51.6 136.1 18.1 -8.9 2.7 103 103 A Y G 3 S- 0 0 112 1,-0.3 3,-0.1 -35,-0.1 -35,-0.0 0.558 119.1 -87.7 67.8 6.4 16.6 -11.5 0.2 104 104 A G G < S+ 0 0 17 -3,-2.2 2,-0.5 1,-0.2 -1,-0.3 0.601 86.3 150.6 69.7 10.0 13.5 -9.3 -0.1 105 105 A E < + 0 0 69 -3,-1.7 2,-0.3 18,-0.0 -1,-0.2 -0.662 15.4 159.3 -87.9 123.3 12.2 -11.2 3.0 106 106 A T + 0 0 7 -2,-0.5 2,-0.3 -3,-0.1 3,-0.0 -0.880 18.1 175.7-138.9 162.6 9.8 -9.2 5.2 107 107 A N > - 0 0 52 -2,-0.3 4,-2.4 270,-0.0 5,-0.2 -0.929 50.5 -87.8-155.2 178.5 7.1 -9.5 7.9 108 108 A A H > S+ 0 0 43 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.851 124.4 54.6 -64.2 -34.5 5.0 -7.2 10.1 109 109 A T H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 109.4 46.8 -62.9 -47.4 7.7 -7.2 12.8 110 110 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.915 109.9 54.8 -59.2 -42.3 10.3 -6.1 10.4 111 111 A R H X S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 105.8 52.3 -58.5 -39.8 7.9 -3.4 9.1 112 112 A S H X S+ 0 0 31 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 110.2 48.0 -63.3 -40.7 7.5 -2.1 12.7 113 113 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.931 110.0 51.8 -67.1 -44.5 11.3 -1.8 13.1 114 114 A E H <>S+ 0 0 7 -4,-2.8 5,-2.7 1,-0.2 3,-0.5 0.930 110.3 49.6 -52.7 -47.5 11.5 0.0 9.7 115 115 A A H ><5S+ 0 0 6 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.894 103.7 59.1 -62.6 -40.7 8.8 2.5 10.9 116 116 A K H 3<5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.2 40.4 -52.5 -40.8 10.6 3.1 14.2 117 117 A Y T 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.280 116.4-111.8 -95.7 8.6 13.7 4.3 12.2 118 118 A G T < 5 + 0 0 14 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.812 65.8 152.0 64.7 33.5 11.7 6.2 9.6 119 119 A L < - 0 0 4 -5,-2.7 2,-0.5 -6,-0.2 -21,-0.3 -0.820 40.0-145.2-101.7 133.4 12.7 3.8 6.8 120 120 A T E -f 98 0B 12 -23,-2.8 -21,-2.6 -2,-0.4 2,-0.3 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