==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 15-DEC-00 1HGY . COMPND 2 MOLECULE: CELLOBIOHYDROLASE CEL6A (FORMERLY CALLED CBH II); . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR J.-Y.ZOU,G.J.KLEYWEGT,T.A.JONES . 726 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 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 . 46 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 0 1 0 1 4 1 0 0 0 3 0 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 3 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 PARALLEL BRIDGES PER LADDER . 6 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 0 0 0 0 0 1 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 85 A T 0 0 140 0, 0.0 126,-0.1 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 145.1 12.1 46.9 28.7 2 86 A A + 0 0 15 124,-0.1 125,-0.1 126,-0.1 128,-0.1 0.936 360.0 74.5 -67.6 -50.6 13.5 43.5 27.8 3 87 A T - 0 0 87 123,-0.1 2,-0.3 126,-0.1 170,-0.2 -0.282 68.1-171.1 -65.2 155.1 11.9 43.0 24.4 4 88 A Y - 0 0 26 168,-0.6 2,-0.3 170,-0.1 -1,-0.1 -0.828 27.6-149.3-141.1 176.3 13.5 45.0 21.5 5 89 A S S S- 0 0 109 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.931 74.2 -7.5-149.5 118.9 13.3 46.1 17.9 6 90 A G S S+ 0 0 31 -2,-0.3 -2,-0.1 2,-0.0 207,-0.0 -0.619 122.0 19.0 93.9-154.9 16.6 46.7 16.1 7 91 A N > - 0 0 32 -2,-0.2 3,-2.7 1,-0.2 -2,-0.1 -0.366 66.5-149.2 -57.4 106.1 20.0 46.7 17.6 8 92 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 167,-0.0 0.592 93.0 66.5 -54.3 -11.5 19.6 44.8 20.9 9 93 A F T > S+ 0 0 14 2,-0.1 3,-0.6 288,-0.1 2,-0.6 0.487 80.6 91.8 -91.3 -2.8 22.4 46.9 22.4 10 94 A V T < S+ 0 0 97 -3,-2.7 3,-0.1 1,-0.2 295,-0.0 -0.814 89.7 20.2 -95.8 122.5 20.4 50.1 22.2 11 95 A G T 3 S+ 0 0 56 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.624 113.4 70.7 99.9 13.7 18.4 51.0 25.3 12 96 A V S < S- 0 0 21 -3,-0.6 -1,-0.4 67,-0.0 66,-0.2 -0.966 70.2-124.5-153.9 165.4 20.3 48.8 27.8 13 97 A T E -a 78 0A 71 64,-1.4 66,-2.4 -2,-0.3 2,-0.3 -0.968 27.4-117.2-122.6 130.0 23.6 48.6 29.5 14 98 A P E -a 79 0A 35 0, 0.0 2,-0.3 0, 0.0 66,-0.1 -0.482 33.9-130.2 -65.9 124.7 26.0 45.6 29.4 15 99 A W - 0 0 53 64,-2.1 2,-0.7 -2,-0.3 33,-0.4 -0.594 4.8-134.8 -82.1 131.7 26.4 44.2 33.0 16 100 A A - 0 0 33 -2,-0.3 2,-0.1 31,-0.2 33,-0.1 -0.783 33.8-135.2 -83.3 116.4 29.9 43.5 34.4 17 101 A N > - 0 0 10 -2,-0.7 4,-1.6 31,-0.5 5,-0.1 -0.378 8.1-125.2 -78.7 154.9 29.5 40.1 36.0 18 102 A A H > S+ 0 0 52 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.822 101.8 66.0 -63.2 -37.7 30.8 38.9 39.4 19 103 A Y H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 108.1 36.8 -52.3 -60.1 32.8 36.0 38.1 20 104 A Y H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 115.8 56.9 -60.1 -42.0 35.3 38.0 36.2 21 105 A A H X S+ 0 0 30 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.930 107.1 48.5 -53.9 -48.0 35.2 40.6 38.9 22 106 A S H X S+ 0 0 67 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.915 107.8 54.3 -60.9 -44.2 36.1 37.9 41.4 23 107 A E H < S+ 0 0 17 -4,-2.2 5,-0.5 1,-0.2 4,-0.4 0.899 113.1 42.4 -58.3 -41.0 39.0 36.7 39.3 24 108 A V H X>S+ 0 0 0 -4,-2.2 5,-2.4 3,-0.2 4,-0.6 0.843 118.9 43.0 -75.5 -33.7 40.6 40.2 39.1 25 109 A S H <5S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.666 124.9 31.5 -87.4 -17.9 40.0 41.1 42.7 26 110 A S T <5S+ 0 0 79 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.146 130.0 29.4-125.8 19.5 41.1 37.8 44.3 27 111 A L T 45S+ 0 0 90 -4,-0.4 -3,-0.2 -3,-0.2 -2,-0.1 0.449 129.7 23.1-147.6 -23.3 43.7 36.5 42.0 28 112 A A T ><5S+ 0 0 0 -4,-0.6 3,-1.4 -5,-0.5 -3,-0.2 0.744 113.9 55.8-117.3 -46.4 45.4 39.5 40.3 29 113 A I G > - 0 0 128 -2,-0.3 3,-0.6 4,-0.0 2,-0.3 -0.990 51.7 -26.0-138.2 143.6 50.8 47.6 44.0 34 118 A G T 3> S+ 0 0 55 -2,-0.4 4,-1.1 1,-0.2 5,-0.2 -0.459 126.3 11.7 67.1-121.8 50.0 51.3 43.5 35 119 A A H >> S+ 0 0 69 -2,-0.3 4,-2.3 1,-0.2 3,-1.9 0.969 130.2 48.8 -51.7 -68.4 49.1 52.2 39.9 36 120 A M H <> S+ 0 0 46 -3,-0.6 4,-3.2 1,-0.3 5,-0.2 0.842 110.2 51.7 -40.9 -49.9 48.7 48.6 38.5 37 121 A A H 3> S+ 0 0 20 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.757 113.3 45.9 -63.1 -26.2 46.4 47.6 41.4 38 122 A T H << S+ 0 0 107 -3,-1.9 4,-0.5 -4,-1.1 -2,-0.2 0.784 113.8 47.8 -86.8 -30.9 44.3 50.6 40.8 39 123 A A H >X S+ 0 0 5 -4,-2.3 4,-1.7 2,-0.2 3,-1.4 0.926 108.4 54.1 -74.2 -46.7 44.1 50.1 37.1 40 124 A A H 3X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.3 -1,-0.2 0.879 102.6 57.9 -54.9 -40.8 43.3 46.4 37.4 41 125 A A H 3< S+ 0 0 42 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.762 105.9 51.1 -63.0 -23.1 40.3 47.3 39.6 42 126 A A H X4 S+ 0 0 25 -3,-1.4 3,-2.2 -4,-0.5 4,-0.4 0.874 101.4 60.2 -79.6 -40.3 39.0 49.5 36.7 43 127 A V H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.3 -2,-0.2 0.877 97.2 60.1 -54.2 -41.7 39.3 46.7 34.2 44 128 A A T 3< S+ 0 0 13 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.534 96.6 62.8 -67.2 -5.0 36.9 44.5 36.2 45 129 A K T < S+ 0 0 145 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.585 81.1 95.9 -94.9 -11.7 34.3 47.3 35.7 46 130 A V S < S- 0 0 16 -3,-1.8 2,-0.2 -4,-0.4 -31,-0.1 -0.654 85.3-113.3 -80.4 128.5 34.3 46.9 31.9 47 131 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 262,-0.3 -0.416 44.5 166.2 -66.4 131.7 31.5 44.5 30.8 48 132 A S - 0 0 3 -33,-0.4 -31,-0.5 -2,-0.2 33,-0.2 -0.955 38.9 -90.2-141.7 157.2 32.5 41.2 29.2 49 133 A F - 0 0 2 260,-1.9 2,-0.5 -2,-0.3 33,-0.2 -0.442 30.0-136.2 -74.2 140.5 30.7 38.0 28.4 50 134 A M E -b 82 0B 5 31,-2.0 33,-2.4 -2,-0.2 2,-0.4 -0.842 21.7-135.0 -95.7 126.8 30.5 35.1 30.9 51 135 A W E -b 83 0B 33 -2,-0.5 2,-0.8 31,-0.2 33,-0.2 -0.664 9.3-156.4 -87.3 132.6 31.1 31.7 29.3 52 136 A L E +b 84 0B 0 31,-2.7 33,-0.7 -2,-0.4 5,-0.1 -0.490 33.4 156.0-100.8 62.0 28.9 28.8 30.1 53 137 A D + 0 0 48 -2,-0.8 47,-0.3 31,-0.1 2,-0.3 0.475 63.3 31.4 -70.0 -1.8 31.6 26.3 29.3 54 138 A T S > S- 0 0 27 -3,-0.1 3,-1.6 1,-0.1 4,-0.2 -0.983 79.9-118.8-150.3 154.2 30.0 23.6 31.5 55 139 A L G > S+ 0 0 40 -2,-0.3 3,-2.6 1,-0.3 -1,-0.1 0.927 115.0 60.9 -59.5 -44.1 26.4 22.6 32.6 56 140 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.306 90.9 72.2 -66.9 11.7 27.4 23.2 36.2 57 141 A K G <> S+ 0 0 18 -3,-1.6 4,-1.1 2,-0.1 3,-0.4 0.554 75.6 82.2 -99.8 -13.2 28.1 26.8 35.1 58 142 A T H <> S+ 0 0 13 -3,-2.6 4,-2.2 1,-0.2 5,-0.2 0.812 79.3 62.9 -62.7 -33.1 24.4 27.5 34.7 59 143 A P H > S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.937 103.0 51.0 -60.2 -39.5 23.8 28.2 38.4 60 144 A L H > S+ 0 0 57 -3,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.857 106.2 55.4 -63.6 -34.3 26.2 31.2 38.1 61 145 A M H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 5,-0.2 0.942 108.0 48.0 -61.8 -48.7 24.2 32.4 35.1 62 146 A E H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.873 113.1 48.8 -59.9 -39.2 21.0 32.4 37.2 63 147 A Q H X S+ 0 0 116 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.900 109.6 50.2 -69.4 -42.1 22.7 34.3 40.0 64 148 A T H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 114.4 45.3 -61.1 -44.4 24.2 36.9 37.7 65 149 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.845 107.9 59.3 -65.6 -34.5 20.8 37.4 36.2 66 150 A A H X S+ 0 0 29 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.929 107.6 45.9 -59.5 -45.0 19.4 37.4 39.8 67 151 A D H >X S+ 0 0 75 -4,-2.4 4,-2.3 2,-0.2 3,-0.5 0.959 110.1 53.0 -63.2 -51.4 21.7 40.4 40.5 68 152 A I H 3X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.3 5,-0.2 0.916 104.7 53.4 -50.8 -53.4 20.7 42.3 37.3 69 153 A R H 3X S+ 0 0 87 -4,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.861 110.3 51.8 -49.5 -38.9 17.0 42.1 38.0 70 154 A T H XX S+ 0 0 62 -4,-1.2 3,-1.6 -3,-0.5 4,-0.9 0.981 110.1 44.1 -62.9 -60.4 17.8 43.6 41.4 71 155 A A H >< S+ 0 0 24 -4,-2.3 3,-0.9 1,-0.3 -2,-0.2 0.880 112.4 55.7 -53.7 -37.9 19.8 46.5 40.1 72 156 A N H 3X S+ 0 0 41 -4,-3.1 4,-0.9 -5,-0.2 3,-0.4 0.700 101.2 57.0 -68.7 -20.6 17.1 47.0 37.4 73 157 A K H << S+ 0 0 142 -3,-1.6 2,-0.4 -4,-0.9 -1,-0.2 0.639 101.1 58.8 -84.3 -15.7 14.4 47.3 40.1 74 158 A N T << S- 0 0 126 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.1 -0.472 139.3 -71.3-108.9 57.5 16.3 50.2 41.7 75 159 A G T 4 S+ 0 0 83 -3,-0.4 2,-0.3 -2,-0.4 -2,-0.2 0.943 94.0 134.7 55.7 57.0 16.2 52.4 38.6 76 160 A G < - 0 0 20 -4,-0.9 2,-0.4 -7,-0.1 -1,-0.2 -0.976 44.9-156.2-136.9 150.1 18.7 50.5 36.5 77 161 A N + 0 0 89 -2,-0.3 -64,-1.4 2,-0.0 2,-0.3 -0.752 34.7 149.9-127.3 85.6 18.9 49.3 32.9 78 162 A Y E -a 13 0A 83 -2,-0.4 51,-0.4 -66,-0.2 2,-0.3 -0.834 25.6-161.5-119.2 154.7 21.2 46.3 32.6 79 163 A A E -a 14 0A 0 -66,-2.4 -64,-2.1 -2,-0.3 2,-0.3 -0.935 20.3-120.5-129.9 153.0 21.4 43.3 30.2 80 164 A G E - c 0 130B 2 49,-2.0 51,-3.1 -2,-0.3 2,-0.5 -0.745 18.1-161.8 -98.3 143.4 23.2 39.9 30.6 81 165 A Q E + c 0 131B 11 -2,-0.3 -31,-2.0 -66,-0.3 2,-0.3 -0.981 18.1 163.1-124.9 126.7 25.8 38.6 28.2 82 166 A F E -bc 50 132B 1 49,-2.0 51,-1.6 -2,-0.5 2,-0.5 -0.979 31.2-132.7-141.4 152.7 26.8 34.9 28.1 83 167 A V E -bc 51 133B 0 -33,-2.4 -31,-2.7 -2,-0.3 2,-0.8 -0.913 14.5-144.9-107.1 129.9 28.6 32.6 25.7 84 168 A V E +bc 52 134B 0 49,-2.6 51,-2.7 -2,-0.5 2,-0.2 -0.863 38.6 151.0 -93.9 110.8 26.9 29.2 24.9 85 169 A Y + 0 0 21 -2,-0.8 -2,-0.1 -33,-0.7 49,-0.0 -0.616 25.8 99.4-146.9 81.4 29.9 26.8 24.5 86 170 A D + 0 0 0 -2,-0.2 3,-0.1 13,-0.1 -1,-0.1 0.092 40.9 159.0-155.0 28.1 29.5 23.1 25.4 87 171 A L > - 0 0 1 1,-0.1 3,-0.9 -3,-0.1 14,-0.3 -0.188 52.9 -95.2 -57.0 145.4 28.9 21.4 22.1 88 172 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.454 113.4 11.2 -65.1 133.9 29.7 17.6 22.0 89 173 A D T 3 S- 0 0 35 12,-3.0 3,-0.3 -2,-0.1 13,-0.1 0.960 99.5-163.1 58.3 50.1 33.2 17.0 20.7 90 174 A R < + 0 0 14 -3,-0.9 9,-0.2 11,-0.5 4,-0.1 -0.161 60.3 20.8 -62.1 154.7 33.9 20.7 21.1 91 175 A D S > S- 0 0 19 46,-0.4 3,-1.5 45,-0.3 -1,-0.2 0.935 72.9-178.7 50.1 58.1 36.8 22.5 19.5 92 176 A a T 3 S+ 0 0 4 45,-0.3 59,-0.2 -3,-0.3 58,-0.2 0.733 73.0 53.2 -64.2 -22.6 37.2 19.7 16.9 93 177 A A T 3 S+ 0 0 42 44,-0.2 -1,-0.3 57,-0.1 2,-0.2 0.477 113.7 38.4 -92.3 -2.0 40.3 21.3 15.2 94 178 A A < - 0 0 13 -3,-1.5 234,-0.0 -4,-0.1 0, 0.0 -0.779 63.7-141.2-135.9-178.7 42.3 21.7 18.3 95 179 A L S > S+ 0 0 109 -2,-0.2 3,-1.2 231,-0.1 233,-0.1 0.641 81.1 80.1-118.5 -25.3 43.1 19.9 21.6 96 180 A A T 3 S+ 0 0 1 1,-0.2 247,-0.4 222,-0.0 223,-0.2 0.800 96.6 40.2 -56.5 -39.3 43.3 22.6 24.3 97 181 A S T 3 S+ 0 0 24 -6,-0.2 -1,-0.2 221,-0.1 -7,-0.1 -0.056 73.0 161.8-108.1 36.0 39.6 23.1 24.9 98 182 A N < - 0 0 76 -3,-1.2 -7,-0.1 1,-0.1 2,-0.1 -0.242 30.3-140.1 -52.8 139.3 38.2 19.6 24.9 99 183 A G - 0 0 23 -9,-0.2 -1,-0.1 2,-0.2 -45,-0.1 -0.269 18.7-101.7-101.4-173.7 34.8 19.5 26.6 100 184 A E S S+ 0 0 79 -47,-0.3 2,-0.4 -2,-0.1 -46,-0.1 0.599 96.9 66.2 -83.9 -12.5 32.7 17.5 28.9 101 185 A Y - 0 0 29 -14,-0.3 -12,-3.0 -15,-0.1 -11,-0.5 -0.922 58.2-170.5-117.6 138.7 30.4 16.0 26.2 102 186 A S > - 0 0 45 -2,-0.4 5,-1.0 3,-0.3 3,-0.4 -0.983 27.1-133.6-127.1 136.5 31.3 13.5 23.5 103 187 A I T >>5S+ 0 0 50 -2,-0.4 3,-0.8 1,-0.2 4,-0.6 0.889 107.7 53.3 -50.5 -45.2 29.1 12.4 20.6 104 188 A A T 345S+ 0 0 102 1,-0.3 2,-0.9 2,-0.2 -1,-0.2 0.882 105.8 54.1 -60.5 -40.0 30.0 8.7 21.2 105 189 A D T 345S- 0 0 114 -3,-0.4 -3,-0.3 1,-0.1 -1,-0.3 -0.321 135.8 -77.9 -94.0 53.2 29.0 8.9 24.9 106 190 A G T <>5S+ 0 0 42 -2,-0.9 4,-1.3 -3,-0.8 -3,-0.2 0.861 78.1 156.0 57.7 42.8 25.5 10.2 24.3 107 191 A G H X< + 0 0 0 -5,-1.0 4,-1.9 -4,-0.6 -4,-0.2 0.823 62.8 55.1 -69.1 -37.4 26.6 13.8 23.7 108 192 A V H > S+ 0 0 28 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.919 109.8 47.4 -64.5 -43.3 23.7 15.1 21.6 109 193 A A H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.867 111.5 51.8 -66.9 -34.3 21.1 14.2 24.2 110 194 A K H X S+ 0 0 51 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.863 108.1 51.2 -70.3 -33.6 23.3 15.8 26.9 111 195 A Y H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.886 105.2 56.2 -71.0 -36.2 23.5 19.0 24.9 112 196 A K H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.850 109.9 45.5 -63.6 -31.6 19.8 19.1 24.5 113 197 A N H X S+ 0 0 82 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.841 109.6 56.2 -76.6 -35.8 19.5 19.0 28.3 114 198 A Y H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.940 112.6 40.6 -59.8 -47.6 22.2 21.6 28.5 115 199 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.903 111.1 56.7 -70.4 -40.5 20.1 24.0 26.3 116 200 A D H X S+ 0 0 57 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.960 107.2 50.6 -51.5 -54.5 16.8 23.1 28.0 117 201 A T H X S+ 0 0 39 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.902 111.8 46.0 -48.2 -53.5 18.4 24.2 31.3 118 202 A I H >X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 3,-0.8 0.897 109.9 54.5 -59.5 -44.3 19.5 27.5 29.9 119 203 A R H 3X S+ 0 0 71 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.905 103.2 56.3 -57.0 -43.0 16.2 28.1 28.3 120 204 A Q H 3X S+ 0 0 126 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.765 108.1 49.9 -60.7 -26.1 14.4 27.6 31.6 121 205 A I H < S+ 0 0 61 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.969 108.4 49.2 -66.2 -53.4 12.3 31.9 30.6 124 208 A E H 3< S+ 0 0 93 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.855 120.1 38.2 -54.4 -38.0 12.3 32.5 34.4 125 209 A Y T >< + 0 0 20 -4,-1.8 3,-1.6 1,-0.2 -1,-0.3 -0.270 68.9 144.0-110.0 46.9 14.0 35.9 33.9 126 210 A S T < + 0 0 70 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.540 61.3 77.6 -61.9 -3.8 12.1 37.0 30.7 127 211 A D T 3 S+ 0 0 75 -3,-0.2 2,-0.4 -125,-0.1 -1,-0.3 0.283 86.6 73.3 -89.0 11.7 12.2 40.5 32.2 128 212 A I S < S- 0 0 2 -3,-1.6 2,-0.3 -6,-0.2 -49,-0.1 -0.983 83.4-121.4-135.8 129.9 15.8 40.9 31.2 129 213 A R - 0 0 11 -2,-0.4 -49,-2.0 -51,-0.4 2,-0.6 -0.499 32.5-163.2 -63.1 121.5 17.5 41.4 27.8 130 214 A T E -cd 80 174B 0 43,-2.9 45,-2.0 -2,-0.3 2,-0.5 -0.941 4.0-160.3-117.1 113.9 19.8 38.5 27.4 131 215 A L E -cd 81 175B 1 -51,-3.1 -49,-2.0 -2,-0.6 2,-0.4 -0.802 14.7-169.3 -95.1 127.1 22.5 38.8 24.7 132 216 A L E -cd 82 176B 0 43,-3.2 45,-1.8 -2,-0.5 2,-0.5 -0.940 22.9-158.6-125.3 140.4 24.0 35.5 23.5 133 217 A V E -cd 83 177B 0 -51,-1.6 -49,-2.6 -2,-0.4 2,-0.6 -0.959 29.1-138.2-108.5 126.4 27.0 34.4 21.4 134 218 A I E -cd 84 178B 2 43,-2.5 45,-1.7 -2,-0.5 -49,-0.1 -0.816 55.5 -38.3 -98.5 115.4 26.4 30.8 20.1 135 219 A E - 0 0 1 -51,-2.7 4,-0.4 -2,-0.6 3,-0.4 0.903 63.7-140.8 43.2 76.8 29.2 28.2 20.0 136 220 A P S S+ 0 0 9 0, 0.0 -45,-0.3 0, 0.0 -1,-0.1 -0.189 80.8 17.0 -58.2 156.1 32.5 29.9 19.1 137 221 A A S S+ 0 0 23 1,-0.1 -46,-0.4 82,-0.1 -45,-0.3 0.903 100.9 95.5 47.8 57.8 34.8 27.8 16.8 138 222 A S S >> S+ 0 0 3 -3,-0.4 4,-1.2 41,-0.2 3,-0.6 0.456 84.1 31.5-133.5 -68.4 32.2 25.3 15.6 139 223 A L H 3> S+ 0 0 2 -4,-0.4 4,-1.2 1,-0.3 3,-0.4 0.876 116.3 61.9 -64.0 -34.9 30.6 26.2 12.2 140 224 A A H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.857 100.8 53.4 -58.8 -34.3 33.8 27.9 11.3 141 225 A N H <> S+ 0 0 3 -3,-0.6 4,-3.0 1,-0.2 -1,-0.2 0.844 101.2 58.7 -70.4 -32.3 35.5 24.5 11.6 142 226 A L H < S+ 0 0 7 -4,-1.2 4,-0.2 -3,-0.4 -1,-0.2 0.810 106.2 51.0 -66.5 -27.1 33.0 22.9 9.2 143 227 A V H < S+ 0 0 33 -4,-1.2 3,-0.2 -3,-0.3 -2,-0.2 0.957 128.1 14.5 -75.3 -49.4 34.1 25.4 6.6 144 228 A T H < S+ 0 0 49 -4,-1.6 3,-0.2 1,-0.1 -2,-0.2 0.609 123.0 51.2-105.3 -12.4 37.8 24.9 6.7 145 229 A N >< + 0 0 47 -4,-3.0 3,-2.1 -5,-0.2 7,-0.3 -0.027 54.5 120.0-120.8 36.2 38.6 21.7 8.7 146 230 A L T 3 S+ 0 0 79 1,-0.3 6,-0.2 -4,-0.2 -1,-0.2 0.677 71.8 75.1 -68.5 -11.9 36.5 18.8 7.2 147 231 A G T 3 S+ 0 0 78 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.547 79.9 80.4 -74.5 -9.0 40.0 17.4 6.6 148 232 A T S X> S- 0 0 49 -3,-2.1 4,-2.0 1,-0.1 3,-1.4 -0.912 79.3-142.6-102.6 116.2 40.2 16.6 10.3 149 233 A P H 3> S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.799 98.4 57.7 -43.3 -42.2 38.2 13.4 11.2 150 234 A K H 34 S+ 0 0 66 -58,-0.2 4,-0.4 1,-0.2 -57,-0.1 0.878 111.4 42.3 -63.1 -35.7 36.9 14.7 14.5 151 235 A a H X> S+ 0 0 0 -3,-1.4 3,-0.6 -6,-0.3 4,-0.6 0.928 114.7 48.1 -75.6 -46.4 35.3 17.6 12.7 152 236 A A H >< S+ 0 0 35 -4,-2.0 3,-0.7 -7,-0.3 4,-0.4 0.878 113.0 48.6 -60.9 -41.3 33.9 15.7 9.7 153 237 A N T 3< S+ 0 0 130 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.3 0.641 111.9 50.9 -75.2 -13.7 32.4 13.0 12.0 154 238 A A T <> S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.4 -1,-0.2 0.468 81.1 97.5-100.3 -4.0 30.9 15.7 14.2 155 239 A Q H S+ 0 0 80 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.922 114.3 46.3 -59.4 -47.7 25.8 16.0 11.8 157 241 A A H > S+ 0 0 8 -4,-0.3 4,-3.4 2,-0.2 5,-0.3 0.917 110.2 52.7 -63.4 -46.3 25.8 16.6 15.6 158 242 A Y H X S+ 0 0 1 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.955 113.5 43.8 -52.9 -55.2 27.0 20.2 15.4 159 243 A L H X S+ 0 0 65 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.956 116.0 46.0 -56.5 -56.1 24.2 21.1 12.9 160 244 A E H X S+ 0 0 78 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.949 117.5 45.4 -51.5 -54.0 21.5 19.2 14.8 161 245 A C H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.890 111.9 48.6 -57.2 -50.4 22.7 20.7 18.1 162 246 A I H X S+ 0 0 2 -4,-3.4 4,-3.0 -5,-0.3 5,-0.3 0.886 110.7 52.6 -61.4 -38.0 23.0 24.3 16.9 163 247 A N H X S+ 0 0 49 -4,-2.5 4,-1.5 -5,-0.3 5,-0.3 0.880 109.3 49.5 -65.8 -34.6 19.6 24.1 15.3 164 248 A Y H X S+ 0 0 49 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.865 113.7 47.7 -70.2 -34.7 18.2 22.9 18.7 165 249 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.958 112.1 45.8 -69.7 -53.5 20.0 25.8 20.4 166 250 A V H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 120.6 39.8 -63.4 -28.8 18.9 28.6 18.0 167 251 A T H >< S+ 0 0 47 -4,-1.5 3,-1.0 -5,-0.3 -1,-0.2 0.866 115.1 50.0 -88.6 -38.3 15.2 27.4 18.0 168 252 A Q H 3< S+ 0 0 57 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.723 116.2 42.7 -72.0 -21.7 15.0 26.5 21.7 169 253 A L T 3< S+ 0 0 0 -4,-1.7 2,-1.9 -5,-0.1 -1,-0.2 0.261 79.4 121.7-105.7 9.8 16.4 29.9 22.7 170 254 A N < + 0 0 61 -3,-1.0 40,-0.1 -5,-0.1 -4,-0.1 -0.549 42.2 142.6 -76.5 85.8 14.3 31.8 20.2 171 255 A L > - 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0 0 3 35,-0.1 37,-2.5 36,-0.1 38,-0.5 -0.382 42.4 -91.1 62.8-129.5 35.4 33.1 13.2 182 266 A H >>> - 0 0 20 35,-0.2 4,-1.9 36,-0.2 3,-1.5 -0.974 40.1 -67.5-169.8 177.4 37.3 36.1 12.0 183 267 A A H 3>5S+ 0 0 0 -2,-0.3 4,-0.6 1,-0.3 5,-0.2 0.830 126.8 46.7 -46.9 -45.1 39.3 37.9 9.1 184 268 A G H 345S+ 0 0 16 3,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.665 118.6 43.1 -76.2 -14.8 42.2 35.5 9.2 185 269 A W H <45S- 0 0 59 -3,-1.5 -2,-0.2 -5,-0.1 3,-0.2 0.921 137.3 -0.3 -92.1 -67.5 39.9 32.4 9.3 186 270 A L H <5S+ 0 0 0 -4,-1.9 -3,-0.2 -6,-0.2 9,-0.2 0.341 107.9 91.0-107.7 3.3 37.1 32.9 6.8 187 271 A G << + 0 0 0 -5,-0.9 -3,-0.2 -4,-0.6 -1,-0.1 0.733 61.3 106.6 -71.0 -21.9 38.1 36.4 5.5 188 272 A W S >> S- 0 0 87 -5,-0.2 3,-1.5 -3,-0.2 4,-1.3 -0.295 82.9-119.0 -57.2 141.4 40.1 34.7 2.8 189 273 A P H >> S+ 0 0 89 0, 0.0 4,-0.7 0, 0.0 3,-0.6 0.890 110.8 50.1 -48.4 -53.1 38.4 35.0 -0.7 190 274 A A H 34 S+ 0 0 87 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.546 112.7 47.9 -68.1 -9.8 38.0 31.3 -1.3 191 275 A N H <> S+ 0 0 42 -3,-1.5 4,-1.8 -5,-0.1 -1,-0.2 0.622 94.7 79.7-102.0 -20.4 36.4 30.7 2.2 192 276 A Q H S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.872 110.2 47.2 -55.6 -38.2 31.2 28.8 1.5 195 279 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.3 5,-0.3 0.958 109.9 53.0 -68.0 -48.2 30.9 30.4 4.9 196 280 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.917 109.2 49.2 -51.4 -47.9 28.0 32.6 3.8 197 281 A Q H X S+ 0 0 83 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.910 110.3 52.8 -59.4 -42.4 26.1 29.6 2.5 198 282 A L H X S+ 0 0 32 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.912 113.0 40.2 -61.7 -47.2 26.7 27.7 5.8 199 283 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.908 114.4 53.8 -71.2 -39.3 25.3 30.4 8.1 200 284 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.920 110.2 48.5 -59.1 -42.2 22.5 31.2 5.7 201 285 A N H X S+ 0 0 90 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.898 109.7 50.4 -64.9 -41.9 21.5 27.5 5.7 202 286 A V H X S+ 0 0 11 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.924 114.0 46.9 -60.4 -45.0 21.7 27.3 9.5 203 287 A Y H ><>S+ 0 0 35 -4,-2.5 5,-1.7 2,-0.2 3,-0.6 0.948 116.6 41.0 -61.8 -54.7 19.4 30.4 9.8 204 288 A K H ><5S+ 0 0 85 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.898 110.5 57.5 -63.7 -41.8 16.8 29.3 7.2 205 289 A N H 3<5S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.747 103.6 54.7 -62.5 -21.5 16.8 25.7 8.4 206 290 A A T <<5S- 0 0 9 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.234 126.2-105.5 -94.0 13.0 15.8 27.1 11.8 207 291 A S T < 5 - 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