==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSYLTRANSFERASE 04-DEC-95 1CEM . COMPND 2 MOLECULE: CELLULASE CELA (1,4-BETA-D-GLUCAN- . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.M.ALZARI . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 68.6 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 . 11 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 0 1 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 93 0, 0.0 4,-0.1 0, 0.0 134,-0.0 0.000 360.0 360.0 360.0 143.3 8.6 14.6 50.6 2 34 A G + 0 0 7 361,-0.2 73,-0.2 3,-0.1 72,-0.1 -0.248 360.0 49.9 75.1-166.4 7.5 17.7 48.7 3 35 A V S S+ 0 0 16 71,-2.7 352,-0.0 1,-0.2 2,-0.0 -0.255 108.8 37.9 -54.0 126.3 4.0 19.0 48.2 4 36 A P S S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 0.462 73.9 174.8 -86.7 132.3 2.4 19.3 50.6 5 37 A F - 0 0 13 349,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.769 22.0-155.1 -68.4 -29.8 5.4 20.5 52.6 6 38 A N + 0 0 141 1,-0.2 2,-0.2 348,-0.1 349,-0.1 0.787 48.5 131.4 57.9 27.3 3.2 21.2 55.7 7 39 A T - 0 0 24 347,-0.5 2,-0.4 7,-0.1 -1,-0.2 -0.506 53.1-130.3-100.9 172.9 5.8 23.7 56.8 8 40 A K - 0 0 176 -2,-0.2 6,-0.1 -3,-0.1 346,-0.0 -0.996 18.0-122.8-128.3 132.1 5.3 27.4 58.0 9 41 A Y - 0 0 11 -2,-0.4 251,-0.1 1,-0.1 6,-0.1 -0.501 22.1-130.7 -67.6 139.6 7.2 30.4 56.7 10 42 A P S S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 250,-0.1 0.730 88.7 38.6 -67.7 -18.6 8.9 32.2 59.6 11 43 A Y S S- 0 0 106 248,-1.3 251,-0.1 2,-0.1 -2,-0.1 -0.987 110.2 -3.8-132.7 146.8 7.6 35.6 58.5 12 44 A G S S- 0 0 39 -2,-0.4 302,-0.1 302,-0.1 2,-0.1 -0.213 105.7 -26.8 70.0-170.4 4.3 36.7 57.1 13 45 A P - 0 0 33 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.436 46.1-147.7 -74.4 151.2 1.4 34.4 56.2 14 46 A T S S+ 0 0 34 1,-0.3 2,-0.3 -2,-0.1 341,-0.1 0.841 83.1 10.3 -85.9 -33.3 2.1 30.8 55.2 15 47 A S - 0 0 26 338,-0.1 -1,-0.3 339,-0.1 338,-0.2 -0.999 44.4-171.4-146.5 143.1 -0.8 30.6 52.8 16 48 A I + 0 0 3 336,-2.4 309,-0.2 -2,-0.3 2,-0.2 0.135 52.9 125.5-112.2 12.1 -3.3 33.0 51.3 17 49 A A - 0 0 6 335,-0.4 3,-0.3 1,-0.1 -2,-0.1 -0.498 58.7-143.1 -70.3 140.7 -5.3 30.2 49.8 18 50 A D S S+ 0 0 78 1,-0.2 2,-0.4 304,-0.2 -1,-0.1 0.840 92.3 35.4 -76.8 -29.3 -9.0 30.4 50.8 19 51 A N >> - 0 0 56 1,-0.1 3,-1.1 2,-0.0 4,-0.8 -0.732 63.9-179.7-129.2 88.8 -9.4 26.6 51.1 20 52 A Q H 3> S+ 0 0 87 -2,-0.4 4,-0.6 -3,-0.3 3,-0.4 0.783 78.0 63.0 -57.4 -30.2 -6.3 24.9 52.4 21 53 A S H 34 S+ 0 0 99 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.853 107.9 40.5 -67.0 -32.4 -7.8 21.4 52.3 22 54 A E H <> S+ 0 0 132 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.530 93.0 86.8 -91.1 -12.2 -8.3 21.5 48.4 23 55 A V H X S+ 0 0 1 -4,-0.8 4,-2.9 -3,-0.4 5,-0.2 0.924 84.6 53.0 -55.5 -50.0 -5.0 23.1 47.6 24 56 A T H X S+ 0 0 33 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.903 109.8 47.4 -55.9 -46.0 -3.0 19.9 47.4 25 57 A A H > S+ 0 0 69 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.894 113.4 49.8 -63.4 -39.7 -5.3 18.2 45.0 26 58 A M H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.936 110.2 49.1 -65.4 -46.6 -5.4 21.3 42.8 27 59 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.916 110.9 50.3 -60.4 -44.6 -1.5 21.7 42.8 28 60 A K H X S+ 0 0 110 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.901 110.9 48.8 -62.2 -40.4 -1.1 18.0 41.8 29 61 A A H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.905 111.9 48.8 -66.4 -41.5 -3.6 18.3 39.0 30 62 A E H X S+ 0 0 36 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.873 110.9 51.2 -66.3 -34.4 -1.9 21.5 37.6 31 63 A W H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.927 108.0 51.3 -68.7 -43.5 1.5 19.8 37.8 32 64 A E H X S+ 0 0 104 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 112.3 48.1 -60.0 -40.2 0.2 16.7 35.9 33 65 A D H X S+ 0 0 45 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.940 112.5 47.1 -64.5 -48.1 -1.1 19.1 33.2 34 66 A W H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.940 111.6 52.7 -59.6 -46.7 2.2 21.1 33.1 35 67 A K H X S+ 0 0 42 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.920 108.4 48.4 -55.8 -51.3 4.2 17.8 32.9 36 68 A S H < S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.860 119.5 38.0 -63.5 -33.0 2.3 16.4 29.9 37 69 A K H < S+ 0 0 67 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 125.0 33.8 -84.6 -37.9 2.5 19.6 27.9 38 70 A R H < S+ 0 0 4 -4,-2.9 13,-3.0 -5,-0.2 2,-0.5 0.654 98.2 78.5 -94.8 -25.3 6.0 20.8 28.7 39 71 A I E < +A 50 0A 26 -4,-2.0 2,-0.3 -5,-0.4 11,-0.2 -0.807 54.3 161.0 -93.6 131.7 8.2 17.8 29.2 40 72 A T E -A 49 0A 19 9,-2.3 9,-2.4 -2,-0.5 7,-0.0 -0.988 40.9-156.1-147.5 152.5 9.5 15.9 26.2 41 73 A S > + 0 0 76 -2,-0.3 3,-1.9 7,-0.2 5,-0.5 0.545 68.2 109.3 -98.6 -11.3 12.2 13.4 25.2 42 74 A N T 3 S+ 0 0 120 1,-0.3 64,-0.1 2,-0.1 7,-0.1 -0.492 95.7 2.7 -67.2 125.2 12.0 14.6 21.5 43 75 A G T 3 S+ 0 0 27 -2,-0.2 -1,-0.3 62,-0.1 5,-0.1 0.691 100.7 115.6 69.5 23.4 15.2 16.6 20.8 44 76 A A S X S- 0 0 1 -3,-1.9 3,-1.5 3,-0.2 -2,-0.1 0.272 80.0-122.1-105.6 6.4 16.6 15.8 24.3 45 77 A G T 3 S- 0 0 55 1,-0.3 3,-0.1 -4,-0.2 -3,-0.1 0.711 80.9 -39.2 60.8 27.0 19.6 13.7 23.3 46 78 A G T 3 S+ 0 0 72 -5,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.280 133.5 67.3 105.7 -6.1 18.5 10.7 25.3 47 79 A Y S < S- 0 0 86 -3,-1.5 -1,-0.3 -6,-0.2 2,-0.3 -0.032 87.8 -87.0-117.1-145.5 17.2 12.7 28.3 48 80 A K - 0 0 69 35,-1.2 39,-0.3 -4,-0.1 2,-0.3 -0.958 33.9-170.5-132.8 155.7 14.3 15.0 28.8 49 81 A R E -A 40 0A 4 -9,-2.4 -9,-2.3 -2,-0.3 2,-0.6 -0.935 29.0-114.2-140.5 161.6 13.8 18.7 28.3 50 82 A V E -A 39 0A 1 -2,-0.3 2,-0.3 -11,-0.2 11,-0.3 -0.896 38.6-156.9 -95.7 120.4 11.3 21.4 29.0 51 83 A Q - 0 0 30 -13,-3.0 9,-0.2 -2,-0.6 8,-0.1 -0.732 8.7-131.8-100.2 150.4 10.0 22.7 25.7 52 84 A R - 0 0 49 7,-3.0 -1,-0.1 -2,-0.3 286,-0.0 -0.099 41.1 -83.2 -80.0-166.1 8.4 26.1 25.1 53 85 A D > > - 0 0 8 5,-0.1 5,-2.5 4,-0.1 3,-1.3 -0.179 43.1 -83.3 -97.8-171.8 5.1 26.3 23.1 54 86 A A G > 5S+ 0 0 23 281,-0.5 3,-1.7 1,-0.3 283,-0.1 0.795 117.2 70.8 -61.3 -29.3 3.9 26.3 19.6 55 87 A S G 3 5S+ 0 0 41 281,-1.5 -1,-0.3 1,-0.3 282,-0.1 0.784 110.9 30.6 -62.6 -26.4 4.6 30.0 19.2 56 88 A T G X 5S- 0 0 41 -3,-1.3 3,-0.8 3,-0.1 -1,-0.3 -0.006 119.4-103.3-119.5 27.1 8.3 29.4 19.3 57 89 A N T < 5 - 0 0 125 -3,-1.7 47,-0.3 1,-0.2 -3,-0.2 0.841 66.0 -68.9 57.6 37.3 8.3 26.0 17.7 58 90 A Y T 3 > -B 101 0B 4 -2,-0.4 4,-1.0 -11,-0.3 3,-0.9 -0.937 34.9-119.8-121.2 149.9 15.5 28.1 26.8 62 94 A S H 3> S+ 0 0 0 38,-1.8 4,-2.1 -2,-0.4 3,-0.3 0.836 112.5 66.1 -57.9 -30.7 17.6 27.6 30.0 63 95 A E H 3> S+ 0 0 33 37,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.901 98.8 52.8 -57.0 -39.5 15.0 29.6 31.9 64 96 A G H <> S+ 0 0 1 -3,-0.9 4,-2.7 1,-0.2 -1,-0.3 0.845 106.1 52.6 -65.4 -36.4 12.5 26.7 31.2 65 97 A M H X S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.3 -1,-0.2 0.898 107.8 51.5 -66.6 -40.8 15.0 24.2 32.6 66 98 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 112.8 45.2 -61.1 -44.9 15.3 26.2 35.8 67 99 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.937 113.7 49.8 -64.3 -46.4 11.5 26.3 36.2 68 100 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.869 110.5 48.9 -61.0 -41.0 11.1 22.6 35.4 69 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.908 111.2 49.6 -67.5 -40.8 13.8 21.6 37.9 70 102 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.939 115.0 44.7 -63.0 -44.6 12.3 23.7 40.7 71 103 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.920 111.2 53.2 -65.6 -43.7 8.8 22.2 40.0 72 104 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 -1,-0.2 0.904 111.9 44.2 -60.4 -43.0 10.2 18.6 39.7 73 105 A V H ><5S+ 0 0 0 -4,-2.2 3,-1.9 3,-0.2 -1,-0.2 0.936 112.0 52.3 -70.6 -40.7 11.9 18.7 43.1 74 106 A C H 3<5S+ 0 0 0 -4,-2.1 -71,-2.7 1,-0.3 -1,-0.2 0.811 112.5 46.3 -63.6 -29.7 8.9 20.4 44.8 75 107 A F T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 -73,-0.2 -2,-0.2 0.220 115.9-117.5 -96.1 11.8 6.6 17.6 43.5 76 108 A N T < 5 + 0 0 72 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.902 61.7 148.4 55.2 51.2 9.1 14.9 44.5 77 109 A E >< + 0 0 50 -5,-2.6 4,-2.6 1,-0.2 -1,-0.2 -0.718 11.6 166.6-115.5 77.3 9.8 13.6 41.0 78 110 A Q H > S+ 0 0 72 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.891 72.5 50.7 -62.1 -42.3 13.4 12.4 41.3 79 111 A A H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 114.1 45.5 -64.0 -40.7 13.6 10.4 38.1 80 112 A L H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 111.4 53.3 -65.6 -46.6 12.2 13.3 36.0 81 113 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.929 108.2 50.3 -53.7 -49.1 14.5 15.7 37.8 82 114 A D H X S+ 0 0 15 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.888 111.0 47.8 -60.3 -41.5 17.6 13.6 37.0 83 115 A D H X S+ 0 0 37 -4,-1.8 4,-1.4 2,-0.2 -35,-1.2 0.878 111.9 49.1 -68.6 -38.1 16.7 13.4 33.3 84 116 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.922 111.8 50.1 -65.0 -43.5 16.1 17.1 33.0 85 117 A Y H X S+ 0 0 2 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.868 104.1 57.7 -64.8 -35.0 19.4 17.8 34.8 86 118 A R H X S+ 0 0 82 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 106.3 50.8 -63.0 -36.5 21.3 15.4 32.4 87 119 A Y H < S+ 0 0 0 -4,-1.4 4,-0.3 -39,-0.3 -2,-0.2 0.945 111.0 47.9 -63.8 -46.8 20.0 17.6 29.5 88 120 A V H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 11,-0.2 0.951 111.2 50.5 -56.0 -48.9 21.3 20.8 31.4 89 121 A K H >< S+ 0 0 107 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.853 104.7 57.1 -61.1 -32.8 24.6 19.1 32.0 90 122 A S T 3< S+ 0 0 60 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.521 110.0 48.6 -75.4 -3.4 24.8 18.2 28.3 91 123 A H T < S+ 0 0 10 -3,-2.2 8,-2.7 -4,-0.3 2,-0.3 0.111 74.0 131.2-122.8 19.3 24.4 22.0 27.6 92 124 A F B < -D 98 0C 53 -3,-1.2 6,-0.2 6,-0.2 -3,-0.0 -0.611 47.2-144.4 -75.7 131.5 27.0 23.6 29.9 93 125 A N > - 0 0 17 4,-3.3 3,-2.0 -2,-0.3 23,-0.1 -0.060 38.6 -73.9 -83.7-172.7 29.1 26.1 28.0 94 126 A G T 3 S+ 0 0 79 1,-0.3 -2,-0.1 21,-0.1 22,-0.1 0.731 133.7 50.7 -56.8 -24.6 32.8 26.9 28.4 95 127 A N T 3 S- 0 0 44 2,-0.2 -1,-0.3 63,-0.0 63,-0.1 0.363 120.3-106.3 -95.1 3.7 32.1 28.7 31.7 96 128 A G S < S+ 0 0 15 -3,-2.0 2,-0.3 1,-0.3 58,-0.1 0.757 84.5 117.7 78.0 26.1 30.1 25.9 33.2 97 129 A L S S- 0 0 0 57,-0.1 -4,-3.3 -6,-0.1 -1,-0.3 -0.908 71.0 -89.8-122.9 151.0 26.8 27.7 32.7 98 130 A M B -D 92 0C 0 -2,-0.3 20,-0.4 -6,-0.2 -6,-0.2 -0.368 35.1-110.5 -69.8 137.1 23.9 26.5 30.5 99 131 A H - 0 0 32 -8,-2.7 16,-0.2 -11,-0.2 18,-0.2 -0.383 30.8-145.2 -54.5 130.9 23.4 27.4 26.8 100 132 A W S S+ 0 0 80 16,-2.3 -38,-1.8 14,-0.6 2,-0.4 0.799 75.2 36.6 -78.3 -26.9 20.4 29.8 27.0 101 133 A H E +B 61 0B 17 13,-1.6 8,-2.1 -40,-0.2 2,-0.3 -0.971 58.9 163.6-137.2 123.5 18.8 28.8 23.7 102 134 A I E -BC 60 108B 0 -42,-2.6 -42,-2.8 -2,-0.4 6,-0.3 -0.988 30.5-125.4-133.6 137.8 18.5 25.5 21.9 103 135 A D > - 0 0 47 4,-3.0 3,-2.2 -2,-0.3 4,-0.1 -0.259 36.6 -95.0 -77.9 175.4 16.2 24.5 19.0 104 136 A A T 3 S+ 0 0 30 -47,-0.3 -1,-0.1 1,-0.3 -45,-0.1 0.630 125.0 58.8 -65.1 -13.6 13.8 21.5 19.0 105 137 A N T 3 S- 0 0 126 2,-0.2 -1,-0.3 -61,-0.1 -62,-0.1 0.288 120.2-106.5 -97.7 7.9 16.5 19.5 17.2 106 138 A N S < S+ 0 0 43 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.764 76.5 133.9 72.7 28.6 19.0 20.0 20.0 107 139 A N - 0 0 93 -4,-0.1 -4,-3.0 0, 0.0 -1,-0.3 -0.930 59.7-120.5-107.6 132.3 21.2 22.5 18.2 108 140 A V B -C 102 0B 47 -2,-0.5 -6,-0.3 -6,-0.3 2,-0.2 -0.474 35.9-110.2 -68.6 137.7 22.3 25.6 20.1 109 141 A T > - 0 0 16 -8,-2.1 5,-1.4 -2,-0.2 6,-0.3 -0.520 29.7-170.2 -73.8 140.2 21.0 28.7 18.2 110 142 A S T > 5S+ 0 0 113 -2,-0.2 3,-1.1 3,-0.2 -1,-0.1 0.794 74.0 65.5-101.7 -27.0 23.7 30.8 16.5 111 143 A H T 3 5S+ 0 0 154 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.688 111.9 34.8 -69.0 -21.2 21.9 34.0 15.5 112 144 A D T 3 5S- 0 0 46 -11,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.032 116.6 -98.5-125.0 25.8 21.2 35.1 19.1 113 145 A G T X 5 + 0 0 37 -3,-1.1 3,-2.2 1,-0.1 -13,-0.3 0.887 56.0 171.5 59.0 42.3 24.3 33.9 21.0 114 146 A G T 3 < + 0 0 0 -5,-1.4 -13,-1.6 1,-0.3 -14,-0.6 0.648 68.8 64.5 -58.4 -18.0 22.4 30.8 22.2 115 147 A D T 3 S+ 0 0 77 -6,-0.3 -1,-0.3 -16,-0.2 -21,-0.1 0.620 85.7 87.9 -82.1 -15.1 25.7 29.4 23.6 116 148 A G S < S- 0 0 6 -3,-2.2 -16,-2.3 -17,-0.1 -15,-0.2 -0.419 82.4-112.2 -77.2 160.6 26.0 32.2 26.2 117 149 A A - 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0 0 65 -5,-0.3 4,-1.9 1,-0.1 -1,-0.3 -0.749 59.3-164.0-159.5 105.8 -3.9 44.0 52.5 318 350 A L H > S+ 0 0 94 -3,-0.3 4,-1.4 -2,-0.2 5,-0.1 0.725 92.9 57.6 -68.4 -20.3 -4.7 40.3 53.3 319 351 A N H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.935 108.0 46.0 -73.9 -42.7 -8.2 40.7 51.9 320 352 A F H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.872 106.7 61.2 -64.9 -33.7 -6.7 41.8 48.5 321 353 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.922 102.4 50.2 -60.5 -42.2 -4.3 38.9 48.8 322 354 A K H X S+ 0 0 65 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.880 109.7 50.6 -63.8 -40.3 -7.2 36.4 48.8 323 355 A E H X S+ 0 0 80 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.887 110.4 50.1 -63.8 -38.5 -8.7 38.0 45.8 324 356 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.896 107.9 52.7 -67.8 -39.1 -5.3 37.7 44.1 325 357 A Y H X S+ 0 0 14 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.954 110.6 48.6 -57.9 -50.2 -5.0 34.0 45.0 326 358 A R H X S+ 0 0 128 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 111.7 48.5 -57.7 -43.9 -8.5 33.4 43.4 327 359 A E H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.882 107.3 56.0 -65.1 -37.2 -7.5 35.3 40.2 328 360 A T H < S+ 0 0 2 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.913 111.6 42.8 -61.7 -43.3 -4.2 33.3 40.0 329 361 A V H < S+ 0 0 46 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.928 114.9 52.1 -68.5 -41.3 -6.1 30.0 40.0 330 362 A A H < S+ 0 0 72 -4,-2.5 2,-0.7 -5,-0.2 -2,-0.2 0.808 97.4 69.7 -64.9 -37.3 -8.7 31.3 37.6 331 363 A V < + 0 0 26 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.1 -0.783 54.4 159.1 -95.9 111.4 -6.5 32.7 34.8 332 364 A K - 0 0 76 -2,-0.7 6,-0.1 -31,-0.0 2,-0.0 -0.997 36.2-121.1-129.7 129.5 -4.7 30.1 32.8 333 365 A D - 0 0 31 -2,-0.4 5,-0.1 1,-0.1 -32,-0.0 -0.321 30.7 -95.9 -72.5 155.7 -3.4 30.9 29.3 334 366 A S > - 0 0 96 1,-0.1 3,-1.0 3,-0.1 8,-0.1 -0.297 37.6-110.5 -63.9 157.6 -4.3 29.1 26.1 335 367 A E G > S+ 0 0 72 1,-0.3 3,-2.0 2,-0.2 -281,-0.5 0.781 111.0 67.0 -65.7 -31.6 -2.0 26.3 24.9 336 368 A Y G 3 S+ 0 0 125 1,-0.3 -281,-1.5 -283,-0.1 -1,-0.3 0.883 121.9 22.7 -57.0 -36.4 -0.6 28.1 21.8 337 369 A Y G < S+ 0 0 146 -3,-1.0 4,-0.5 -283,-0.1 -1,-0.3 -0.115 92.3 125.9-116.9 31.9 1.1 30.5 24.3 338 370 A G < + 0 0 1 -3,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.419 50.8 74.1 -76.5 0.4 1.0 28.1 27.2 339 371 A Y S > S+ 0 0 6 -4,-0.2 4,-1.4 -3,-0.1 5,-0.2 0.989 95.9 32.0 -76.4 -64.0 4.7 28.1 28.2 340 372 A Y H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.958 121.6 37.8 -65.2 -61.2 5.6 31.3 30.0 341 373 A G H > S+ 0 0 1 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.899 116.9 51.2 -60.0 -44.8 2.6 32.5 31.9 342 374 A N H > S+ 0 0 9 -5,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.798 109.2 52.1 -67.0 -25.8 1.4 29.0 32.9 343 375 A S H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.917 111.4 45.7 -73.3 -44.9 4.9 28.2 34.3 344 376 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.865 109.7 57.3 -64.2 -36.0 5.0 31.4 36.4 345 377 A R H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.946 109.1 44.0 -59.9 -48.4 1.4 30.6 37.6 346 378 A L H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.924 113.6 49.9 -67.3 -41.1 2.5 27.2 38.9 347 379 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.940 113.9 45.0 -63.0 -44.7 5.7 28.5 40.6 348 380 A T H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.893 109.0 57.0 -67.9 -35.5 3.8 31.4 42.3 349 381 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.2 6,-0.3 0.905 104.7 52.5 -61.6 -40.1 1.0 29.0 43.4 350 382 A L H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 3,-0.4 0.948 114.1 44.0 -59.0 -46.8 3.6 26.8 45.1 351 383 A Y H ><5S+ 0 0 0 -4,-1.8 3,-1.7 4,-0.2 5,-0.3 0.960 112.9 47.3 -64.0 -50.8 4.8 29.8 47.0 352 384 A I H 3<5S+ 0 0 0 -4,-3.0 -336,-2.4 1,-0.3 -335,-0.4 0.573 109.4 54.3 -73.2 -8.8 1.5 31.5 48.0 353 385 A T T 3<5S- 0 0 3 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.320 123.1-101.1-101.7 3.9 0.0 28.2 49.3 354 386 A G T < 5S+ 0 0 2 -3,-1.7 -347,-0.5 -4,-0.2 -3,-0.2 0.694 90.2 119.1 85.5 21.6 3.0 27.6 51.6 355 387 A N < + 0 0 4 -5,-2.9 -4,-0.2 -6,-0.3 -352,-0.1 -0.068 53.8 70.1-112.1 34.0 4.7 25.1 49.4 356 388 A F + 0 0 1 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.495 66.2 172.0-143.3 65.4 8.0 26.8 48.6 357 389 A P - 0 0 3 0, 0.0 -97,-0.1 0, 0.0 -348,-0.1 -0.314 48.0 -83.6 -77.1 161.1 10.0 26.7 51.9 358 390 A N > - 0 0 19 1,-0.2 3,-1.7 -99,-0.1 -2,-0.0 -0.466 38.4-138.0 -57.6 125.2 13.6 27.6 52.4 359 391 A P T 3 S+ 0 0 1 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.673 101.7 56.5 -65.3 -14.4 15.5 24.4 51.4 360 392 A L T 3 S+ 0 0 48 2,-0.1 2,-0.1 3,-0.0 -2,-0.1 0.411 94.3 84.0 -92.7 -4.8 17.9 24.9 54.4 361 393 A S S < S- 0 0 49 -3,-1.7 2,-1.0 1,-0.1 -101,-0.0 -0.239 103.7 -70.2 -87.1-177.7 15.0 25.0 56.9 362 394 A D 0 0 156 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.698 360.0 360.0 -78.2 101.5 13.4 21.9 58.6 363 395 A L 0 0 78 -2,-1.0 -361,-0.2 -4,-0.2 -1,-0.2 0.352 360.0 360.0 -82.4 360.0 11.4 20.4 55.7