==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JAN-02 1KWF . COMPND 2 MOLECULE: ENDOGLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR D.M.A.GUERIN,M.-B.LASCOMBE,M.COSTABEL,H.SOUCHON,V.LAMZIN, . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.6 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 . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 0 1 0 0 1 2 3 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 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 . 1 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 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 33 A A 0 0 86 0, 0.0 4,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 136.2 8.4 14.1 49.8 2 34 A G + 0 0 7 361,-0.2 73,-0.2 3,-0.1 72,-0.1 -0.327 360.0 56.5 78.8-159.1 7.4 17.3 48.0 3 35 A V S S+ 0 0 11 71,-2.9 352,-0.1 1,-0.2 2,-0.0 -0.257 107.9 36.8 -53.6 128.8 3.9 18.6 47.4 4 36 A P S S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 0.404 76.0 173.4 -78.7 128.3 2.2 18.9 49.9 5 37 A F - 0 0 14 1,-0.1 -2,-0.1 349,-0.1 3,-0.1 0.780 24.7-152.6 -66.6 -33.4 5.3 20.1 51.8 6 38 A N + 0 0 103 1,-0.2 2,-0.1 348,-0.1 349,-0.1 0.660 46.2 139.2 65.4 19.7 3.1 20.9 54.9 7 39 A T - 0 0 20 347,-0.5 2,-0.5 7,-0.1 -1,-0.2 -0.439 49.1-134.8 -87.5 164.0 5.7 23.5 55.9 8 40 A K - 0 0 161 -2,-0.1 6,-0.1 -3,-0.1 7,-0.1 -0.974 19.4-125.2-122.3 123.2 5.2 27.0 57.3 9 41 A Y - 0 0 12 -2,-0.5 251,-0.1 4,-0.2 250,-0.1 -0.391 20.8-129.7 -60.5 143.0 7.1 30.0 55.9 10 42 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.678 91.0 36.3 -74.0 -15.4 8.8 31.7 58.8 11 43 A Y S S+ 0 0 108 248,-1.2 251,-0.1 2,-0.1 -2,-0.0 -0.985 111.2 1.0-133.8 145.9 7.5 35.1 57.8 12 44 A G S S- 0 0 38 -2,-0.3 302,-0.1 302,-0.1 301,-0.1 -0.137 105.3 -15.7 75.0-170.2 4.1 36.1 56.3 13 45 A P - 0 0 26 0, 0.0 -4,-0.2 0, 0.0 3,-0.1 -0.295 46.3-140.7 -68.8 146.2 1.2 33.8 55.5 14 46 A T S S- 0 0 59 1,-0.3 2,-0.3 -6,-0.1 -5,-0.1 0.864 87.8 -15.7 -64.2 -37.7 1.6 30.0 55.3 15 47 A S - 0 0 36 339,-0.1 -1,-0.3 338,-0.1 338,-0.2 -0.948 46.5-149.3-165.3 145.8 -0.8 30.1 52.3 16 48 A I S S+ 0 0 4 336,-2.4 2,-0.3 -2,-0.3 309,-0.2 0.157 78.4 86.9-107.9 16.0 -3.3 32.5 50.7 17 49 A A S S- 0 0 9 335,-0.4 2,-0.2 308,-0.1 3,-0.1 -0.804 73.3-130.7-101.0 162.9 -5.5 29.7 49.4 18 50 A D S S+ 0 0 100 -2,-0.3 5,-0.1 1,-0.2 -2,-0.1 -0.786 76.0 26.3-109.7 160.6 -8.3 28.0 51.5 19 51 A N >> - 0 0 137 -2,-0.2 4,-1.9 3,-0.1 3,-0.7 0.997 67.7-153.5 58.0 79.4 -9.0 24.3 52.0 20 52 A Q H 3> S+ 0 0 100 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.842 87.1 58.5 -54.8 -42.4 -5.6 22.7 51.6 21 53 A S H 3> S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.918 109.2 46.1 -58.4 -38.0 -6.7 19.2 50.5 22 54 A E H <> S+ 0 0 63 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.888 112.0 52.1 -68.2 -36.1 -8.5 20.7 47.6 23 55 A V H X S+ 0 0 8 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.942 107.3 52.3 -64.6 -44.8 -5.4 22.9 46.8 24 56 A T H X S+ 0 0 18 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.934 109.6 48.1 -59.5 -43.7 -3.1 19.9 46.8 25 57 A A H X S+ 0 0 61 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.3 51.7 -62.0 -41.9 -5.3 18.0 44.4 26 58 A M H X S+ 0 0 35 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.939 109.5 49.5 -60.3 -47.5 -5.5 21.1 42.1 27 59 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.921 111.1 48.6 -60.6 -46.0 -1.7 21.4 42.2 28 60 A K H X S+ 0 0 103 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.893 112.1 48.8 -62.3 -40.3 -1.1 17.8 41.3 29 61 A A H X S+ 0 0 55 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.900 111.6 49.3 -67.4 -40.6 -3.6 17.9 38.4 30 62 A E H X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.869 110.9 51.2 -65.4 -35.7 -2.0 21.1 37.1 31 63 A W H X S+ 0 0 4 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.932 107.8 50.9 -64.3 -45.1 1.4 19.4 37.3 32 64 A E H X S+ 0 0 100 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 113.2 47.2 -59.8 -40.2 0.2 16.4 35.4 33 65 A D H X S+ 0 0 48 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.938 113.3 46.9 -64.8 -47.3 -1.2 18.8 32.7 34 66 A W H X S+ 0 0 10 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.936 113.1 49.6 -61.6 -46.3 2.1 20.8 32.6 35 67 A K H X S+ 0 0 45 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.914 110.2 50.5 -58.6 -45.1 4.2 17.6 32.4 36 68 A S H < S+ 0 0 98 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.915 120.3 34.7 -59.4 -45.6 2.1 16.1 29.6 37 69 A K H < S+ 0 0 69 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.871 125.2 35.9 -77.3 -39.6 2.3 19.3 27.5 38 70 A R H < S+ 0 0 4 -4,-3.2 13,-3.0 -5,-0.2 2,-0.5 0.645 97.6 78.5 -98.4 -23.6 5.8 20.5 28.2 39 71 A I E < +A 50 0A 25 -4,-1.8 2,-0.3 -5,-0.4 11,-0.2 -0.814 53.6 161.5 -97.5 131.4 8.0 17.5 28.6 40 72 A T E -A 49 0A 29 9,-2.2 9,-2.4 -2,-0.5 7,-0.1 -0.998 40.3-153.8-143.9 152.0 9.3 15.6 25.6 41 73 A S > + 0 0 62 -2,-0.3 3,-1.9 7,-0.2 5,-0.5 0.564 69.5 107.3 -86.6 -17.9 12.0 13.1 24.6 42 74 A N T 3 S+ 0 0 114 1,-0.3 64,-0.1 2,-0.1 7,-0.1 -0.503 96.4 2.0 -70.9 129.5 12.0 14.4 21.0 43 75 A G T 3 S+ 0 0 18 -2,-0.3 -1,-0.3 62,-0.1 5,-0.1 0.707 101.6 116.4 70.2 23.3 15.1 16.3 20.4 44 76 A A S X S- 0 0 1 -3,-1.9 3,-1.7 3,-0.2 -2,-0.1 0.250 80.7-118.5-112.8 11.7 16.3 15.6 23.9 45 77 A G T 3 S- 0 0 51 1,-0.3 3,-0.1 -4,-0.2 -3,-0.1 0.660 79.6 -44.1 71.2 16.2 19.4 13.6 23.2 46 78 A G T 3 S+ 0 0 70 -5,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.272 133.4 70.1 106.6 -8.5 18.3 10.4 24.9 47 79 A Y S < S- 0 0 86 -3,-1.7 2,-0.3 -6,-0.1 -1,-0.3 0.071 89.3 -83.1-114.0-144.7 17.0 12.4 27.9 48 80 A K - 0 0 64 35,-1.1 39,-0.4 32,-0.1 2,-0.3 -0.981 35.3-170.4-130.5 151.2 14.0 14.8 28.5 49 81 A R E -A 40 0A 3 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.7 -0.932 28.2-116.4-133.9 161.5 13.6 18.5 27.8 50 82 A V E -A 39 0A 1 -2,-0.3 11,-0.3 -11,-0.2 2,-0.3 -0.889 37.6-157.8 -91.5 115.8 11.1 21.2 28.6 51 83 A Q - 0 0 31 -13,-3.0 9,-0.2 -2,-0.7 8,-0.1 -0.726 8.9-133.3 -92.6 146.9 9.7 22.4 25.2 52 84 A R - 0 0 51 7,-3.1 -1,-0.1 -2,-0.3 2,-0.1 0.072 40.2 -85.7 -74.2-165.9 8.2 25.8 24.6 53 85 A D > > - 0 0 7 283,-0.1 5,-2.4 5,-0.1 3,-1.6 -0.291 42.6 -81.0-105.9-174.3 4.9 26.0 22.7 54 86 A A G > 5S+ 0 0 26 281,-0.5 3,-1.7 1,-0.3 283,-0.1 0.812 118.0 71.3 -58.3 -32.1 3.6 26.1 19.1 55 87 A S G 3 5S+ 0 0 40 281,-1.6 -1,-0.3 1,-0.3 282,-0.1 0.725 112.4 27.6 -64.6 -20.1 4.3 29.9 19.0 56 88 A T G X 5S- 0 0 41 -3,-1.6 3,-1.0 3,-0.1 -1,-0.3 -0.014 118.2-103.5-128.4 28.3 8.1 29.2 18.9 57 89 A N T < 5 - 0 0 129 -3,-1.7 47,-0.3 1,-0.2 -3,-0.2 0.809 67.4 -66.7 58.7 38.7 8.0 25.7 17.3 58 90 A Y T 3 > -B 101 0B 5 -2,-0.4 4,-1.2 -11,-0.3 3,-1.2 -0.929 34.0-120.6-117.7 151.3 15.3 27.8 26.4 62 94 A S H 3> S+ 0 0 1 38,-2.0 4,-2.2 -2,-0.4 3,-0.4 0.878 112.2 65.5 -58.2 -32.0 17.5 27.3 29.4 63 95 A Q H 3> S+ 0 0 29 37,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.865 98.4 53.0 -53.1 -42.9 14.8 29.2 31.4 64 96 A G H <> S+ 0 0 0 -3,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.836 105.3 53.4 -67.1 -33.4 12.4 26.4 30.8 65 97 A M H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 5,-0.2 0.911 109.0 50.0 -64.1 -41.4 14.8 23.8 32.1 66 98 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.942 113.7 45.0 -60.8 -46.2 15.1 25.9 35.3 67 99 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 114.5 48.9 -61.2 -46.8 11.4 26.0 35.6 68 100 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.867 110.3 49.7 -65.1 -37.5 11.0 22.3 34.9 69 101 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.914 111.7 49.0 -66.7 -43.7 13.6 21.2 37.3 70 102 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.932 115.2 45.1 -58.8 -46.7 12.1 23.4 40.1 71 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.936 111.4 52.2 -61.9 -47.3 8.6 21.9 39.3 72 104 A A H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 -1,-0.2 0.889 112.1 44.7 -60.6 -43.7 9.9 18.3 39.1 73 105 A V H ><5S+ 0 0 1 -4,-2.3 3,-1.8 3,-0.2 -1,-0.2 0.939 112.1 51.7 -69.5 -39.0 11.6 18.4 42.4 74 106 A C H 3<5S+ 0 0 0 -4,-2.1 -71,-2.9 1,-0.3 -2,-0.2 0.847 112.2 47.3 -64.5 -29.5 8.7 20.1 44.2 75 107 A F T 3<5S- 0 0 20 -4,-2.1 -1,-0.3 -73,-0.2 -2,-0.2 0.216 116.5-115.8 -96.1 16.0 6.4 17.4 42.7 76 108 A N T < 5 + 0 0 72 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.876 63.5 148.5 56.3 48.8 8.8 14.6 43.8 77 109 A E >< + 0 0 49 -5,-2.8 4,-2.7 1,-0.2 -1,-0.2 -0.708 10.2 163.2-113.5 73.6 9.6 13.4 40.3 78 110 A Q H > S+ 0 0 73 -2,-0.7 4,-2.7 2,-0.2 5,-0.2 0.899 70.9 49.9 -67.6 -42.9 13.1 12.2 40.6 79 111 A A H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 115.6 45.2 -63.1 -42.1 13.5 10.1 37.4 80 112 A L H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 111.3 53.0 -63.8 -48.1 12.1 13.0 35.4 81 113 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.926 108.9 50.0 -50.1 -50.0 14.3 15.5 37.2 82 114 A D H X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.906 111.1 47.6 -62.3 -41.5 17.4 13.4 36.4 83 115 A D H X S+ 0 0 43 -4,-1.9 4,-1.6 2,-0.2 -35,-1.1 0.900 112.1 50.1 -65.6 -40.9 16.6 13.2 32.7 84 116 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.920 111.3 49.4 -58.7 -44.1 15.9 16.9 32.5 85 117 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.880 104.3 57.8 -67.4 -34.2 19.2 17.5 34.2 86 118 A R H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.898 106.7 50.1 -60.5 -39.3 21.0 15.2 31.8 87 119 A Y H < S+ 0 0 0 -4,-1.6 4,-0.2 -39,-0.4 -2,-0.2 0.942 109.3 50.8 -62.0 -45.6 19.7 17.4 29.0 88 120 A V H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 11,-0.2 0.950 110.3 49.7 -53.3 -51.5 21.0 20.5 30.9 89 121 A K H >< S+ 0 0 93 -4,-2.8 3,-1.0 1,-0.3 -1,-0.2 0.820 103.8 59.2 -57.4 -35.7 24.5 18.9 31.3 90 122 A S T 3< S+ 0 0 56 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.474 110.4 45.0 -70.9 -4.2 24.5 18.1 27.6 91 123 A H T < S+ 0 0 10 -3,-2.2 8,-2.8 -4,-0.2 2,-0.3 0.171 74.7 131.5-126.5 14.6 24.2 21.8 27.0 92 124 A F B < -D 98 0C 52 -3,-1.0 6,-0.2 6,-0.2 -3,-0.0 -0.530 48.5-142.1 -69.0 133.1 26.7 23.3 29.4 93 125 A N > - 0 0 20 4,-3.1 3,-2.0 -2,-0.3 23,-0.1 -0.001 37.4 -75.6 -84.4-171.9 28.8 25.9 27.5 94 126 A G T 3 S+ 0 0 84 1,-0.3 -2,-0.1 21,-0.1 -1,-0.1 0.667 134.3 50.4 -64.6 -16.0 32.5 26.6 27.9 95 127 A N T 3 S- 0 0 53 2,-0.2 -1,-0.3 63,-0.0 63,-0.1 0.241 120.8-106.4-100.7 5.6 31.8 28.5 31.1 96 128 A G S < S+ 0 0 16 -3,-2.0 2,-0.3 1,-0.3 58,-0.1 0.754 83.9 117.6 74.9 27.6 29.8 25.6 32.6 97 129 A L S S- 0 0 0 57,-0.1 -4,-3.1 -6,-0.1 -1,-0.3 -0.890 71.2 -90.5-128.7 148.0 26.4 27.4 32.1 98 130 A M B -D 92 0C 0 -2,-0.3 20,-0.4 -6,-0.2 -6,-0.2 -0.395 35.7-109.5 -71.8 136.8 23.6 26.2 29.9 99 131 A H - 0 0 32 -8,-2.8 16,-0.2 -11,-0.2 18,-0.2 -0.356 30.7-143.7 -46.6 130.4 23.2 27.2 26.3 100 132 A W S S+ 0 0 81 16,-2.3 -38,-2.0 14,-0.6 2,-0.4 0.774 75.4 35.9 -80.7 -24.9 20.2 29.5 26.4 101 133 A H E +B 61 0B 18 13,-1.6 8,-2.1 -40,-0.2 2,-0.4 -0.974 57.9 165.4-141.0 123.0 18.5 28.5 23.1 102 134 A I E -BC 60 108B 0 -42,-2.7 -42,-3.0 -2,-0.4 6,-0.2 -0.990 30.8-125.7-132.4 137.0 18.2 25.2 21.4 103 135 A D > - 0 0 50 4,-3.0 3,-2.1 -2,-0.4 -45,-0.1 -0.210 37.6 -94.5 -76.8 174.4 15.8 24.3 18.6 104 136 A A T 3 S+ 0 0 23 -47,-0.3 -1,-0.1 1,-0.3 -45,-0.1 0.658 124.8 57.4 -64.7 -16.1 13.4 21.3 18.7 105 137 A N T 3 S- 0 0 116 2,-0.2 -1,-0.3 -61,-0.1 -62,-0.1 0.235 121.6-103.0-100.1 13.3 16.1 19.2 16.9 106 138 A N S < S+ 0 0 41 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.762 76.9 135.2 73.1 29.7 18.7 19.7 19.5 107 139 A N - 0 0 92 -4,-0.0 -4,-3.0 0, 0.0 -1,-0.3 -0.929 57.5-122.9-105.6 129.3 20.8 22.3 17.6 108 140 A V B -C 102 0B 48 -2,-0.5 -6,-0.3 -6,-0.2 2,-0.2 -0.478 34.5-112.1 -65.0 133.6 22.0 25.4 19.5 109 141 A T > - 0 0 19 -8,-2.1 5,-1.3 -2,-0.2 6,-0.3 -0.470 29.6-171.0 -73.8 141.8 20.7 28.5 17.7 110 142 A S T 5S+ 0 0 117 -2,-0.2 3,-0.4 3,-0.2 -1,-0.1 0.551 73.2 66.1-109.3 -14.9 23.5 30.5 16.1 111 143 A H T 5S+ 0 0 153 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.653 110.4 35.0 -82.0 -15.5 21.7 33.7 15.0 112 144 A D T 5S- 0 0 47 -11,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.004 118.3 -95.2-133.9 23.4 20.9 34.9 18.6 113 145 A G T > 5 + 0 0 26 -3,-0.4 3,-2.1 1,-0.1 -13,-0.3 0.886 58.8 169.4 63.1 38.4 23.9 33.8 20.6 114 146 A G T 3 < + 0 0 0 -5,-1.3 -13,-1.6 1,-0.3 -14,-0.6 0.642 68.4 63.9 -60.5 -18.5 22.2 30.6 21.7 115 147 A D T 3 S+ 0 0 69 -6,-0.3 -1,-0.3 -16,-0.2 -21,-0.1 0.659 87.1 88.5 -78.2 -22.4 25.5 29.2 23.1 116 148 A G S < S- 0 0 5 -3,-2.1 -16,-2.3 -17,-0.1 2,-0.2 -0.406 80.3-116.2 -73.3 158.6 25.6 31.9 25.7 117 149 A A - 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0 0 18 -6,-1.3 4,-1.8 1,-0.2 -1,-0.2 -0.370 19.4-158.7 -65.9 119.3 13.8 40.6 54.3 264 296 A Q H > S+ 0 0 126 -2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.753 91.2 59.2 -75.2 -22.1 12.2 44.0 55.0 265 297 A R H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 105.6 50.1 -66.5 -41.8 13.5 45.4 51.7 266 298 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.931 111.6 47.7 -60.5 -47.8 11.5 42.6 49.9 267 299 A K H X S+ 0 0 46 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.919 110.9 50.6 -60.4 -45.5 8.4 43.4 51.8 268 300 A A H X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.941 115.2 43.3 -58.3 -44.3 8.7 47.1 51.1 269 301 A N H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.915 116.4 45.8 -69.3 -44.7 9.1 46.5 47.4 270 302 A C H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.866 109.8 54.5 -69.2 -35.7 6.4 43.9 47.1 271 303 A D H X S+ 0 0 34 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.914 108.8 49.3 -61.3 -42.1 3.9 45.9 49.1 272 304 A M H X S+ 0 0 55 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.933 113.4 46.2 -60.8 -48.0 4.4 48.8 46.7 273 305 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 -50,-0.3 -2,-0.2 0.931 113.6 48.1 -59.9 -47.7 3.9 46.6 43.7 274 306 A T H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.919 109.1 54.0 -61.2 -44.1 0.8 44.9 45.2 275 307 A K H X S+ 0 0 127 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.888 105.6 53.9 -58.7 -39.0 -0.7 48.3 46.1 276 308 A F H >< S+ 0 0 11 -4,-2.0 3,-1.6 -54,-0.3 4,-0.5 0.954 109.2 47.3 -57.6 -49.9 -0.3 49.5 42.5 277 309 A F H >X S+ 0 0 4 -4,-2.0 4,-1.8 1,-0.3 3,-0.7 0.793 99.5 69.2 -66.8 -23.9 -2.2 46.4 41.2 278 310 A A H 3< S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.699 82.8 75.3 -65.1 -19.0 -4.9 47.0 43.9 279 311 A R T << S+ 0 0 157 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.940 115.0 17.9 -57.7 -47.2 -5.9 50.2 42.0 280 312 A D T <4 S- 0 0 84 -3,-0.7 4,-0.3 -4,-0.5 -1,-0.2 0.598 110.6-134.4 -97.4 -18.1 -7.6 48.1 39.2 281 313 A G >< - 0 0 18 -4,-1.8 3,-1.0 1,-0.2 4,-0.4 -0.105 38.5 -52.2 83.3 176.3 -7.9 44.9 41.2 282 314 A A G > S+ 0 0 11 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.823 133.7 48.8 -61.6 -38.3 -7.3 41.2 40.4 283 315 A K G 3 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.667 104.9 61.9 -74.1 -19.7 -9.3 41.1 37.2 284 316 A G G < + 0 0 24 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.459 69.5 123.5 -88.7 -3.4 -7.7 44.3 35.9 285 317 A I < - 0 0 1 -3,-0.7 2,-0.2 -4,-0.4 20,-0.1 -0.408 41.7-172.5 -60.4 130.3 -4.1 43.1 35.7 286 318 A V - 0 0 11 14,-0.1 14,-0.2 -2,-0.1 12,-0.2 -0.709 32.4-105.6-124.3 175.3 -2.7 43.5 32.2 287 319 A D S S+ 0 0 8 12,-0.7 2,-0.2 -2,-0.2 11,-0.2 -0.017 91.2 29.2-101.2 33.1 0.4 42.5 30.3 288 320 A G + 0 0 0 9,-0.5 8,-2.6 -44,-0.1 9,-1.2 -0.621 53.1 162.7 174.3 132.1 2.4 45.7 30.0 289 321 A Y B -IJ 243 295H 1 -46,-2.0 -46,-3.0 6,-0.3 6,-0.2 -0.989 39.3-112.9-140.3 150.4 2.8 49.0 31.8 290 322 A T > - 0 0 37 4,-2.6 3,-2.3 -2,-0.3 -48,-0.1 -0.463 45.2-106.5 -65.9 161.3 5.4 51.8 31.8 291 323 A I T 3 S+ 0 0 6 -50,-0.4 -67,-0.4 1,-0.3 -69,-0.3 0.689 122.6 62.5 -70.9 -11.9 7.2 51.8 35.2 292 324 A Q T 3 S- 0 0 104 2,-0.1 -1,-0.3 -71,-0.1 -73,-0.1 0.462 126.6-100.5 -84.8 -1.0 5.2 55.0 36.1 293 325 A G S < S+ 0 0 14 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.436 71.9 145.6 104.1 2.9 2.0 52.8 35.8 294 326 A S - 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