==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-MAR-01 1GIR . COMPND 2 MOLECULE: IOTA TOXIN COMPONENT IA; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR H.TSUGE,M.NAGAHAMA,H.NISHIMURA,J.HISATSUNE,Y.SAKAGUCHI, . 411 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 18.2 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 . 3 0.7 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 . 39 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 1 0 0 0 1 2 1 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 2 0 0 2 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 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 3 A I 0 0 130 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.4 2.4 11.7 65.1 2 4 A E + 0 0 175 2,-0.0 0, 0.0 15,-0.0 0, 0.0 -0.213 360.0 70.1 -97.5 42.2 4.9 13.4 67.5 3 5 A R S S- 0 0 23 -2,-0.1 2,-0.1 14,-0.0 11,-0.0 -0.954 71.0-133.4-160.1 135.9 3.8 11.2 70.5 4 6 A P - 0 0 70 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.310 30.6-115.5 -80.6 174.8 4.1 7.6 71.6 5 7 A E S S+ 0 0 107 1,-0.3 83,-2.1 82,-0.1 2,-0.3 0.708 104.7 20.4 -81.5 -20.6 1.0 5.7 72.9 6 8 A D - 0 0 28 81,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.926 58.3-161.4-151.3 119.5 2.8 5.4 76.3 7 9 A F > - 0 0 16 132,-0.8 3,-2.8 -2,-0.3 7,-0.1 0.624 31.4-177.4 -76.5 -10.5 5.6 7.6 77.6 8 10 A L T 3 - 0 0 100 1,-0.3 133,-2.7 131,-0.2 -1,-0.2 -0.268 67.8 -12.7 51.9-118.3 6.4 4.8 80.1 9 11 A K T 3 S+ 0 0 160 131,-0.2 2,-2.0 -3,-0.1 -1,-0.3 0.373 104.1 111.2 -95.1 6.6 9.2 6.0 82.3 10 12 A D <> + 0 0 53 -3,-2.8 4,-2.1 1,-0.2 5,-0.2 -0.487 35.0 164.3 -83.4 74.1 10.2 9.0 80.1 11 13 A K H > + 0 0 79 -2,-2.0 4,-2.5 1,-0.2 5,-0.2 0.904 69.5 54.6 -55.1 -50.0 9.1 11.8 82.4 12 14 A E H > S+ 0 0 111 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 112.2 41.7 -55.1 -47.0 11.1 14.5 80.6 13 15 A N H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.869 112.5 54.5 -71.3 -36.0 9.5 13.9 77.2 14 16 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 112.3 43.9 -61.7 -46.7 6.0 13.4 78.6 15 17 A I H X S+ 0 0 64 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.911 112.1 52.0 -65.2 -44.0 6.2 16.7 80.4 16 18 A Q H X S+ 0 0 116 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.910 115.0 42.7 -61.2 -41.1 7.7 18.5 77.4 17 19 A W H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 115.7 47.9 -71.2 -41.4 4.9 17.2 75.1 18 20 A E H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.846 107.5 54.5 -69.7 -34.8 2.1 17.8 77.6 19 21 A K H X S+ 0 0 75 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.920 111.4 47.0 -64.3 -41.4 3.2 21.3 78.4 20 22 A K H X S+ 0 0 126 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.918 111.8 49.9 -63.6 -45.2 3.0 22.1 74.6 21 23 A E H X S+ 0 0 33 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.847 105.3 58.0 -64.4 -34.7 -0.3 20.4 74.3 22 24 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.944 107.5 46.5 -60.6 -48.6 -1.7 22.4 77.3 23 25 A E H X S+ 0 0 72 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.837 113.3 51.1 -62.8 -32.9 -0.9 25.7 75.5 24 26 A R H >< S+ 0 0 106 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.931 111.9 44.1 -70.9 -46.1 -2.5 24.3 72.3 25 27 A V H >< S+ 0 0 1 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.803 100.5 68.3 -70.0 -31.0 -5.7 23.2 73.9 26 28 A E H >< S+ 0 0 104 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.809 90.8 65.3 -58.6 -29.3 -6.2 26.4 76.0 27 29 A K T << S+ 0 0 171 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.596 97.9 54.1 -70.0 -10.2 -6.8 28.2 72.6 28 30 A N T < S+ 0 0 86 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.3 0.315 91.2 100.8-105.1 7.3 -10.0 26.1 72.1 29 31 A L < - 0 0 24 -3,-1.5 2,-0.1 -4,-0.2 48,-0.0 -0.730 61.8-137.1-100.7 145.7 -11.5 27.1 75.5 30 32 A D > - 0 0 88 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.242 32.2-103.0 -84.3 177.4 -14.2 29.7 76.3 31 33 A T H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.906 125.2 49.5 -66.6 -43.6 -14.3 32.2 79.1 32 34 A L H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.849 112.2 46.6 -64.2 -38.4 -16.8 29.9 80.8 33 35 A E H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 111.7 51.5 -72.3 -40.8 -14.7 26.9 80.3 34 36 A K H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 110.2 49.3 -60.8 -44.2 -11.6 28.7 81.6 35 37 A E H X S+ 0 0 109 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.925 107.7 53.4 -62.1 -44.9 -13.4 29.8 84.7 36 38 A A H X S+ 0 0 6 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.895 109.0 50.7 -56.7 -39.3 -14.6 26.3 85.4 37 39 A L H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.919 107.3 53.0 -65.0 -43.7 -10.9 25.2 85.1 38 40 A E H X S+ 0 0 93 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.900 107.7 50.9 -58.9 -40.8 -9.9 27.9 87.6 39 41 A L H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.865 108.8 53.7 -64.8 -34.6 -12.5 26.7 90.1 40 42 A Y H < S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.969 107.8 46.8 -64.6 -53.4 -11.1 23.2 89.7 41 43 A K H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.747 113.6 52.7 -60.9 -21.3 -7.5 24.1 90.5 42 44 A K H < S+ 0 0 133 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.863 133.1 2.7 -81.5 -39.5 -8.9 26.0 93.5 43 45 A D X + 0 0 47 -4,-2.2 4,-1.3 -3,-0.2 5,-0.2 -0.499 62.8 167.5-151.4 78.3 -10.9 23.1 94.9 44 46 A S H > S+ 0 0 39 -3,-0.2 4,-3.0 1,-0.2 5,-0.3 0.877 75.2 63.4 -56.1 -44.1 -10.6 19.8 93.1 45 47 A E H > S+ 0 0 156 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.926 103.4 42.4 -46.9 -65.4 -12.3 17.9 95.9 46 48 A Q H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.897 117.9 45.5 -52.9 -49.6 -15.8 19.5 95.9 47 49 A I H X S+ 0 0 6 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.952 114.7 48.4 -62.4 -49.9 -16.1 19.5 92.1 48 50 A S H X S+ 0 0 19 -4,-3.0 4,-0.8 2,-0.2 86,-0.2 0.941 112.3 48.2 -55.4 -50.6 -14.8 15.9 91.8 49 51 A N H >X S+ 0 0 101 -4,-3.1 3,-1.3 -5,-0.3 4,-1.0 0.941 111.6 50.2 -57.1 -49.0 -17.2 14.7 94.5 50 52 A Y H >X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.3 3,-0.5 0.901 104.2 58.8 -56.4 -41.7 -20.1 16.4 92.9 51 53 A S H 3< S+ 0 0 2 -4,-2.5 82,-0.4 1,-0.2 -1,-0.3 0.695 103.6 54.3 -63.6 -17.3 -19.3 14.9 89.5 52 54 A Q H << S+ 0 0 70 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.804 121.3 21.9 -86.8 -32.6 -19.7 11.4 91.0 53 55 A T H X< S+ 0 0 29 -4,-1.0 3,-1.8 -3,-0.5 4,-0.2 0.363 88.1 109.2-117.9 2.2 -23.2 11.5 92.5 54 56 A R G >< S+ 0 0 3 -4,-1.5 3,-1.0 1,-0.3 -3,-0.1 0.831 73.2 57.8 -46.8 -46.6 -24.8 14.4 90.6 55 57 A Q G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.425 88.9 73.7 -73.7 2.0 -27.2 12.3 88.6 56 58 A Y G < S+ 0 0 5 -3,-1.8 -1,-0.2 286,-0.2 -2,-0.1 0.499 80.5 82.1 -95.2 -3.6 -29.0 10.6 91.5 57 59 A F S < S- 0 0 32 -3,-1.0 286,-1.3 -4,-0.2 2,-0.1 -0.208 96.6 -68.3 -90.2-176.3 -31.1 13.6 92.6 58 60 A Y > - 0 0 79 284,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.442 48.0-114.0 -68.9 149.3 -34.4 14.9 91.2 59 61 A D H > S+ 0 0 104 284,-0.4 4,-2.1 1,-0.2 5,-0.1 0.881 119.5 50.1 -51.7 -38.5 -34.1 16.4 87.7 60 62 A Y H > S+ 0 0 156 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 106.5 52.9 -70.3 -34.8 -35.0 19.8 89.3 61 63 A Q H 4 S+ 0 0 77 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.817 111.2 48.6 -68.4 -31.9 -32.4 19.5 92.1 62 64 A I H >< S+ 0 0 7 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.935 111.1 48.6 -72.2 -47.2 -29.7 18.8 89.5 63 65 A E H 3< S+ 0 0 149 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 117.5 40.9 -61.9 -36.3 -30.7 21.8 87.2 64 66 A S T 3< S+ 0 0 65 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.425 83.8 117.1 -95.9 1.3 -30.8 24.2 90.1 65 67 A N X> - 0 0 56 -3,-0.8 3,-1.3 -4,-0.4 4,-0.6 -0.541 65.9-136.1 -71.8 129.6 -27.7 23.1 91.9 66 68 A P H 3> S+ 0 0 105 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.838 103.6 53.1 -52.9 -35.5 -25.0 25.9 92.0 67 69 A R H 3> S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.694 88.1 79.8 -76.8 -18.8 -22.3 23.4 91.1 68 70 A E H <> S+ 0 0 9 -3,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.906 90.3 52.9 -55.3 -45.3 -24.1 22.0 88.0 69 71 A K H X S+ 0 0 128 -4,-0.6 4,-2.0 -3,-0.4 -1,-0.2 0.891 109.8 48.6 -57.8 -42.8 -23.0 24.9 85.9 70 72 A E H X S+ 0 0 43 -4,-0.5 4,-2.3 2,-0.2 5,-0.3 0.919 110.8 51.5 -63.2 -45.1 -19.4 24.4 86.8 71 73 A Y H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.946 109.5 48.4 -58.1 -52.7 -19.7 20.7 86.1 72 74 A K H X S+ 0 0 95 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.906 113.2 46.5 -56.5 -47.1 -21.1 21.2 82.6 73 75 A N H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 113.7 47.3 -65.7 -39.8 -18.5 23.7 81.5 74 76 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.904 112.8 51.0 -68.4 -38.3 -15.6 21.7 82.8 75 77 A R H X S+ 0 0 81 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.907 110.1 48.5 -63.6 -43.0 -17.1 18.7 81.1 76 78 A N H X S+ 0 0 69 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.921 107.5 56.8 -62.7 -42.1 -17.4 20.6 77.8 77 79 A A H X S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.895 108.7 46.2 -54.7 -44.7 -13.8 21.8 78.2 78 80 A I H >< S+ 0 0 7 -4,-1.9 3,-1.2 1,-0.2 86,-0.7 0.909 110.1 51.7 -66.8 -43.8 -12.6 18.2 78.4 79 81 A S H 3< S+ 0 0 47 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.721 94.1 75.8 -66.7 -20.1 -14.7 17.0 75.4 80 82 A K H 3< S+ 0 0 87 -4,-1.5 2,-0.7 1,-0.2 -1,-0.2 0.833 96.1 50.4 -59.6 -33.8 -13.2 19.9 73.4 81 83 A N << + 0 0 13 -3,-1.2 83,-2.3 -4,-0.5 2,-0.5 -0.759 68.6 175.7-115.3 89.1 -10.0 17.9 73.1 82 84 A K B -A 163 0A 109 -2,-0.7 81,-0.2 -3,-0.3 79,-0.1 -0.771 34.4-118.7 -89.8 128.7 -10.5 14.3 71.9 83 85 A I - 0 0 7 79,-2.1 79,-0.1 -2,-0.5 4,-0.1 -0.379 8.6-145.0 -68.8 144.7 -7.2 12.5 71.3 84 86 A D S S+ 0 0 99 77,-0.1 -1,-0.1 1,-0.1 77,-0.1 0.655 83.4 29.9 -82.7 -17.9 -6.4 11.3 67.8 85 87 A K S S- 0 0 79 75,-0.3 77,-0.1 74,-0.1 -1,-0.1 -0.969 94.7 -89.1-140.8 155.6 -4.7 8.2 69.1 86 88 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.088 44.4-171.7 -56.8 162.1 -4.9 5.9 72.1 87 89 A I E -B 158 0B 0 71,-1.8 71,-3.7 -4,-0.1 2,-0.4 -0.977 19.1-129.2-157.1 148.4 -2.8 6.8 75.2 88 90 A N E -B 157 0B 18 -83,-2.1 -81,-0.3 -2,-0.3 2,-0.3 -0.828 25.0-168.3-102.6 141.0 -1.8 5.2 78.5 89 91 A V E -B 156 0B 0 67,-3.2 67,-2.1 -2,-0.4 2,-0.4 -0.871 8.2-147.2-126.0 161.4 -2.3 7.1 81.8 90 92 A Y E +BC 155 138B 1 48,-3.4 48,-3.7 -2,-0.3 2,-0.3 -0.974 23.6 152.3-130.5 143.5 -1.1 6.5 85.3 91 93 A Y E -B 154 0B 11 63,-1.6 63,-2.9 -2,-0.4 2,-0.3 -0.940 38.6-114.7-167.5 145.5 -2.7 7.3 88.7 92 94 A F E -B 153 0B 31 -2,-0.3 2,-0.3 61,-0.2 61,-0.2 -0.651 34.8-171.8 -85.3 139.7 -2.8 6.1 92.3 93 95 A E E -B 152 0B 22 59,-2.5 59,-0.5 -2,-0.3 -2,-0.0 -0.925 27.1-107.7-132.9 157.8 -6.0 4.7 93.7 94 96 A S > - 0 0 34 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.662 25.1-132.9 -83.2 133.6 -7.3 3.6 97.0 95 97 A P G > >S+ 0 0 8 0, 0.0 3,-1.8 0, 0.0 5,-1.8 0.834 103.4 66.7 -55.6 -33.6 -7.8 -0.2 97.3 96 98 A E G > 5S+ 0 0 83 1,-0.3 3,-2.2 3,-0.2 5,-0.1 0.794 84.6 73.5 -59.9 -26.6 -11.3 0.2 98.8 97 99 A K G < 5S+ 0 0 49 -3,-1.6 -1,-0.3 1,-0.3 4,-0.1 0.848 100.9 43.7 -56.1 -32.0 -12.3 1.6 95.4 98 100 A F G < 5S- 0 0 1 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 -0.042 128.9 -95.1-105.2 33.1 -12.2 -2.0 94.2 99 101 A A T < 5S+ 0 0 16 -3,-2.2 2,-1.2 1,-0.2 -3,-0.2 0.609 86.1 132.3 68.4 12.5 -13.9 -3.5 97.2 100 102 A F < + 0 0 3 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.2 -0.802 31.5 179.4 -95.0 94.9 -10.6 -4.3 98.9 101 103 A N + 0 0 74 -2,-1.2 2,-0.3 -5,-0.1 -1,-0.1 -0.162 52.8 74.1 -92.8 40.5 -11.5 -2.9 102.3 102 104 A K S S- 0 0 112 -2,-0.3 2,-0.3 3,-0.0 3,-0.1 -0.877 89.2 -92.9-139.3 168.5 -8.2 -3.7 104.0 103 105 A E - 0 0 131 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.658 15.2-149.9 -89.3 144.8 -4.8 -2.2 103.7 104 106 A I S S- 0 0 5 1,-0.4 2,-0.3 -2,-0.3 9,-0.2 0.888 77.4 -48.2 -73.7 -40.3 -2.2 -3.6 101.3 105 107 A R - 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G 0 182B 32 -24,-2.2 -24,-1.8 -2,-0.3 2,-0.2 -0.980 19.5-142.1-127.5 114.3 -15.2 -1.5 78.9 207 209 A N + 0 0 102 -2,-0.5 2,-0.3 -26,-0.2 81,-0.2 -0.533 23.1 172.8 -82.4 144.3 -17.7 0.9 77.3 208 210 A S - 0 0 26 -28,-0.3 2,-0.4 -2,-0.2 81,-0.3 -0.994 38.8-107.3-147.3 144.6 -21.4 0.9 78.1 209 211 A L B +h 289 0C 58 79,-2.8 81,-3.1 -2,-0.3 2,-0.4 -0.623 42.7 171.1 -73.2 125.7 -24.3 3.2 77.3 210 212 A D - 0 0 32 -2,-0.4 3,-0.1 79,-0.2 81,-0.1 -0.901 15.3-179.7-140.1 104.1 -25.2 5.0 80.5 211 213 A F > + 0 0 17 79,-0.4 3,-2.5 128,-0.4 6,-0.1 0.656 18.1 176.2 -80.2 -15.0 -27.7 7.8 80.0 212 214 A K T 3 S- 0 0 7 1,-0.3 129,-2.1 127,-0.3 130,-0.4 -0.210 71.4 -8.2 46.1-119.5 -27.6 8.8 83.7 213 215 A D T 3 S+ 0 0 40 127,-0.2 2,-1.8 128,-0.2 -1,-0.3 0.622 113.9 92.2 -83.6 -9.6 -29.8 11.8 84.1 214 216 A D <> + 0 0 87 -3,-2.5 4,-1.7 1,-0.2 -1,-0.2 -0.522 44.0 160.0 -85.3 74.6 -30.4 12.5 80.4 215 217 A V H > + 0 0 24 -2,-1.8 4,-3.1 1,-0.2 5,-0.2 0.764 66.1 64.6 -68.2 -26.5 -33.6 10.5 80.0 216 218 A S H > S+ 0 0 90 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.959 106.6 43.2 -61.0 -48.5 -34.6 12.3 76.8 217 219 A K H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 113.9 52.2 -62.6 -40.9 -31.6 10.8 75.0 218 220 A G H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.929 108.6 49.3 -61.5 -45.2 -32.3 7.5 76.7 219 221 A D H X S+ 0 0 30 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.881 108.7 54.2 -61.5 -38.5 -35.9 7.4 75.5 220 222 A L H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.917 110.2 46.0 -61.4 -45.0 -34.7 8.3 72.0 221 223 A W H X S+ 0 0 25 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.885 114.3 50.0 -64.6 -38.9 -32.4 5.3 72.0 222 224 A G H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 3,-0.2 0.928 110.0 48.0 -66.4 -47.0 -35.2 3.2 73.4 223 225 A K H X S+ 0 0 74 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.891 110.7 52.8 -61.1 -41.3 -37.8 4.3 70.8 224 226 A E H < S+ 0 0 143 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.809 117.2 36.5 -66.4 -30.6 -35.3 3.7 67.9 225 227 A N H < S+ 0 0 49 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.569 130.5 27.6 -99.2 -10.9 -34.5 0.1 69.1 226 228 A Y H X S+ 0 0 2 -4,-1.6 4,-0.5 -5,-0.1 3,-0.4 0.288 81.8 103.0-134.7 14.1 -38.0 -1.0 70.3 227 229 A S T < S+ 0 0 80 -4,-1.5 -3,-0.1 1,-0.2 3,-0.1 0.785 97.8 34.4 -69.1 -24.7 -40.6 1.0 68.4 228 230 A D T >> S+ 0 0 76 -5,-0.2 4,-0.8 1,-0.1 3,-0.8 0.374 89.6 100.3-107.7 1.2 -41.3 -2.0 66.2 229 231 A W H >> S+ 0 0 7 -3,-0.4 3,-1.5 1,-0.3 4,-0.6 0.904 78.3 56.9 -52.0 -47.3 -40.7 -4.6 68.9 230 232 A S H >< S+ 0 0 30 -4,-0.5 3,-0.9 1,-0.3 -1,-0.3 0.828 100.9 58.2 -55.1 -35.5 -44.5 -5.0 69.5 231 233 A N H <4 S+ 0 0 146 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.732 99.3 58.4 -68.6 -22.9 -45.0 -5.9 65.9 232 234 A K H << S+ 0 0 96 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.652 90.7 91.8 -80.0 -17.1 -42.5 -8.9 66.3 233 235 A L S << S- 0 0 15 -3,-0.9 46,-0.0 -4,-0.6 -3,-0.0 -0.441 81.0-116.8 -79.5 151.1 -44.7 -10.4 69.0 234 236 A T > - 0 0 66 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.415 36.4-103.0 -77.6 162.7 -47.4 -13.0 68.3 235 237 A P H > S+ 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.907 123.8 49.6 -55.5 -40.1 -50.9 -11.8 69.2 236 238 A N H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.854 110.4 49.6 -67.5 -34.7 -50.8 -14.0 72.4 237 239 A E H > S+ 0 0 22 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.917 111.7 47.6 -69.9 -43.7 -47.4 -12.6 73.5 238 240 A L H X S+ 0 0 55 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.930 110.0 55.0 -61.7 -43.3 -48.5 -9.0 73.0 239 241 A A H X S+ 0 0 50 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.897 110.5 44.1 -56.7 -44.7 -51.7 -9.8 74.9 240 242 A D H X S+ 0 0 18 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.892 112.5 51.1 -70.9 -37.6 -49.8 -11.1 77.9 241 243 A V H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.929 113.0 46.5 -63.9 -43.1 -47.3 -8.2 77.9 242 244 A N H X S+ 0 0 31 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.924 111.3 52.0 -63.3 -43.8 -50.2 -5.8 77.8 243 245 A D H X>S+ 0 0 63 -4,-2.3 5,-2.7 -5,-0.2 4,-0.5 0.925 110.2 50.0 -56.0 -47.2 -51.9 -7.7 80.6 244 246 A Y H ><>S+ 0 0 12 -4,-2.7 5,-1.9 4,-0.3 3,-1.2 0.941 112.7 43.9 -57.2 -54.2 -48.7 -7.5 82.7 245 247 A M H 3<5S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 108.8 60.2 -63.6 -29.3 -48.2 -3.8 82.3 246 248 A R H 3<5S- 0 0 183 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.558 139.2 -66.1 -77.9 -10.6 -51.9 -3.1 82.9 247 249 A G T X<5S+ 0 0 33 -3,-1.2 3,-1.3 -4,-0.5 4,-0.5 0.217 108.1 107.3 144.3 -14.6 -51.7 -4.7 86.4 248 250 A G T 3>< + 0 0 13 -5,-2.7 4,-2.3 1,-0.3 -4,-0.3 0.664 62.6 82.9 -65.9 -14.5 -51.0 -8.3 85.9 249 251 A Y H 3> S+ 0 0 82 -3,-1.3 4,-1.8 -6,-0.2 5,-0.2 0.960 110.4 36.7 -60.6 -56.6 -48.8 -8.1 90.7 251 253 A A H > S+ 0 0 53 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.932 120.1 49.5 -63.2 -46.9 -50.2 -11.6 90.4 252 254 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.967 114.1 41.8 -59.4 -57.1 -47.4 -12.8 88.2 253 255 A N H X S+ 0 0 24 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.829 114.9 51.1 -64.4 -30.2 -44.5 -11.5 90.3 254 256 A N H X S+ 0 0 109 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.914 109.2 51.9 -70.4 -39.7 -46.1 -12.7 93.5 255 257 A Y H <>S+ 0 0 17 -4,-2.4 5,-3.3 -5,-0.2 -2,-0.2 0.898 114.4 43.7 -59.4 -42.9 -46.6 -16.1 92.0 256 258 A L H ><5S+ 0 0 15 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.932 114.1 48.0 -69.5 -48.1 -42.9 -16.1 91.0 257 259 A I H 3<5S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.882 110.0 51.0 -61.9 -41.7 -41.5 -14.8 94.4 258 260 A S T 3<5S- 0 0 71 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.366 116.3-119.5 -77.3 7.6 -43.6 -17.2 96.5 259 261 A N T X>5 + 0 0 85 -3,-1.4 4,-1.2 -5,-0.1 3,-0.9 0.919 55.9 160.4 53.9 49.6 -42.1 -19.9 94.2 260 262 A G H 3>< + 0 0 2 -5,-3.3 4,-2.7 1,-0.2 -4,-0.2 0.807 57.9 73.3 -71.2 -31.5 -45.6 -20.9 93.0 261 263 A P H 34 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.533 117.3 23.1 -62.1 -0.6 -44.4 -22.7 89.8 262 264 A L H <4 S+ 0 0 139 -3,-0.9 -2,-0.2 2,-0.1 -3,-0.1 0.477 131.9 38.9-136.4 -18.8 -43.2 -25.4 92.2 263 265 A N H < S+ 0 0 121 -4,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.593 137.6 4.7-110.4 -17.9 -45.2 -25.0 95.3 264 266 A N S < S- 0 0 109 -4,-2.7 -4,-0.1 -5,-0.2 -1,-0.1 -0.298 81.5-152.2-166.8 65.7 -48.6 -24.2 93.8 265 267 A P - 0 0 79 0, 0.0 -3,-0.0 0, 0.0 -5,-0.0 -0.123 9.7-169.7 -49.4 133.5 -48.5 -24.4 90.0 266 268 A N >> - 0 0 64 1,-0.1 4,-2.6 -11,-0.0 3,-1.0 -0.907 8.7-161.3-130.5 100.7 -51.0 -22.2 88.0 267 269 A P H 3> S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.809 91.2 54.2 -49.6 -39.1 -51.1 -23.1 84.3 268 270 A E H 3> S+ 0 0 144 1,-0.2 4,-1.1 2,-0.2 -2,-0.0 0.830 113.4 42.1 -70.0 -30.2 -52.6 -19.8 83.3 269 271 A L H <> S+ 0 0 29 -3,-1.0 4,-2.5 2,-0.2 5,-0.2 0.845 110.7 55.7 -82.5 -36.1 -49.8 -17.9 85.0 270 272 A D H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.864 105.8 53.6 -62.7 -35.3 -47.1 -20.2 83.7 271 273 A S H X S+ 0 0 62 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.935 109.0 48.0 -64.2 -46.5 -48.3 -19.5 80.2 272 274 A K H X S+ 0 0 29 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.924 109.9 50.7 -61.9 -46.7 -48.0 -15.8 80.8 273 275 A V H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.921 110.8 51.6 -58.5 -41.2 -44.5 -15.9 82.2 274 276 A N H X S+ 0 0 76 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.935 110.9 45.7 -60.4 -49.7 -43.5 -18.0 79.2 275 277 A N H X S+ 0 0 27 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.867 113.9 48.6 -63.8 -37.2 -44.8 -15.6 76.7 276 278 A I H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.906 110.9 51.1 -69.7 -40.2 -43.3 -12.6 78.4 277 279 A E H < S+ 0 0 43 -4,-2.6 4,-0.4 -5,-0.3 3,-0.2 0.937 112.0 46.6 -61.0 -45.8 -40.0 -14.4 78.7 278 280 A N H >X S+ 0 0 53 -4,-2.6 3,-1.5 1,-0.2 4,-0.6 0.890 108.3 56.8 -63.0 -38.9 -40.1 -15.2 74.9 279 281 A A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.3 4,-0.5 0.859 101.8 56.6 -60.6 -34.9 -41.1 -11.6 74.2 280 282 A L T 3< S+ 0 0 2 -4,-1.8 84,-2.8 1,-0.2 -1,-0.3 0.573 104.3 53.9 -75.2 -6.9 -37.9 -10.4 76.0 281 283 A K T <4 S+ 0 0 102 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.518 85.3 82.5-102.9 -7.6 -35.8 -12.5 73.7 282 284 A L S << S+ 0 0 58 -3,-0.8 -2,-0.1 -4,-0.6 -1,-0.1 0.865 109.1 17.5 -64.6 -40.3 -37.1 -11.1 70.4 283 285 A T S S- 0 0 23 -4,-0.5 -1,-0.3 81,-0.3 -54,-0.0 -0.751 85.8-156.5-134.2 84.8 -34.9 -8.0 70.4 284 286 A P - 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