==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-MAR-94 1DDT . COMPND 2 MOLECULE: DIPHTHERIA TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEPHAGE BETA; . AUTHOR M.J.BENNETT,D.EISENBERG . 523 2 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 20.1 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 3 1 3 1 1 0 0 1 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 3 5 3 2 1 0 1 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 . 3 0 0 1 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 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 G > 0 0 56 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0-125.2 -1.2 56.4 55.6 2 2 A A G >> + 0 0 45 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.681 360.0 58.3 -55.6 -24.8 2.5 55.6 55.5 3 3 A D G 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.438 95.2 66.6 -92.9 15.9 2.7 54.1 59.0 4 4 A D G <4 S+ 0 0 98 -3,-1.9 -1,-0.2 97,-0.1 -2,-0.2 0.563 117.0 22.9-100.5 -18.4 0.1 51.6 58.0 5 5 A V T <4 S+ 0 0 0 -3,-0.6 90,-2.8 -4,-0.4 91,-0.6 0.585 116.5 60.4-123.0 -21.8 2.5 50.0 55.6 6 6 A V B < -A 94 0A 9 -4,-1.8 2,-0.8 88,-0.3 88,-0.2 -0.873 64.5-149.5-114.3 142.5 6.0 50.9 56.7 7 7 A D > - 0 0 45 86,-3.0 3,-0.9 -2,-0.4 86,-0.5 -0.856 15.9-177.6-108.7 93.7 7.4 49.9 60.1 8 8 A S G > S+ 0 0 68 -2,-0.8 3,-1.4 1,-0.2 -1,-0.2 0.828 74.7 67.6 -65.1 -25.4 9.8 52.8 60.9 9 9 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.882 110.5 36.4 -64.8 -24.5 11.0 51.3 64.2 10 10 A K G < S+ 0 0 143 -3,-0.9 2,-0.4 83,-0.1 -1,-0.3 0.183 97.2 96.3-113.0 17.2 12.6 48.5 62.2 11 11 A S < + 0 0 20 -3,-1.4 2,-0.3 81,-0.1 81,-0.2 -0.840 50.8 164.8-100.8 142.9 13.8 50.5 59.2 12 12 A F E -B 91 0B 96 79,-1.5 79,-2.8 -2,-0.4 2,-0.4 -0.946 36.7-119.3-151.7 166.6 17.4 51.7 59.3 13 13 A V E -B 90 0B 56 -2,-0.3 2,-0.4 77,-0.2 77,-0.2 -0.904 35.0-174.4-108.2 137.1 20.2 53.2 57.1 14 14 A M E > -B 89 0B 77 75,-2.6 75,-2.5 -2,-0.4 3,-0.6 -0.990 23.4-132.1-136.0 150.2 23.3 51.1 56.9 15 15 A E E 3 S+B 88 0B 123 -2,-0.4 73,-0.2 1,-0.3 3,-0.1 -0.810 94.5 7.8-100.0 139.8 26.7 51.6 55.3 16 16 A N T 3 S- 0 0 87 71,-2.7 -1,-0.3 -2,-0.4 2,-0.3 0.896 85.4-161.0 56.9 45.2 27.9 48.7 53.3 17 17 A F < - 0 0 5 -3,-0.6 68,-2.5 68,-0.4 2,-0.3 -0.432 11.0-166.8 -59.6 124.4 24.6 46.8 53.6 18 18 A S E +C 84 0B 31 -2,-0.3 2,-0.2 66,-0.2 66,-0.2 -0.741 15.5 158.4-117.1 155.4 25.2 43.1 52.8 19 19 A S E -C 83 0B 4 64,-1.4 64,-2.0 -2,-0.3 2,-0.3 -0.932 31.3-102.9-162.8 176.3 22.9 40.1 52.0 20 20 A Y E -CD 82 56B 39 36,-2.8 36,-2.2 -2,-0.2 2,-0.4 -0.899 17.2-167.9-118.9 152.5 22.8 36.6 50.4 21 21 A H E -C 81 0B 44 60,-1.7 60,-1.9 -2,-0.3 2,-0.4 -0.999 21.8-134.2-136.0 121.7 21.5 35.2 47.2 22 22 A G E -C 80 0B 5 -2,-0.4 2,-0.4 58,-0.2 58,-0.2 -0.711 29.7-159.5 -76.6 134.9 21.2 31.5 46.5 23 23 A T E -C 79 0B 5 56,-2.7 56,-2.3 -2,-0.4 55,-0.5 -0.939 10.4-123.4-121.9 136.2 22.6 30.7 42.9 24 24 A K > - 0 0 64 -2,-0.4 3,-2.7 54,-0.2 4,-0.4 -0.285 40.8 -83.9 -77.3 155.1 22.0 27.8 40.6 25 25 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 53,-0.1 -0.430 122.1 38.1 -54.8 127.2 24.7 25.5 39.1 26 26 A G T 3 S+ 0 0 66 -2,-0.1 4,-0.3 -3,-0.1 -2,-0.1 0.067 111.9 59.0 112.8 -20.7 25.8 27.4 36.1 27 27 A Y <> + 0 0 144 -3,-2.7 4,-2.3 2,-0.1 5,-0.3 0.428 66.3 97.0-122.1 1.6 25.7 30.9 37.7 28 28 A V T 4 S+ 0 0 4 -4,-0.4 4,-0.4 2,-0.2 -1,-0.1 0.869 98.6 34.4 -60.9 -34.2 28.1 30.9 40.7 29 29 A D T >4 S+ 0 0 120 2,-0.1 3,-0.9 1,-0.1 4,-0.4 0.955 118.5 47.3 -84.7 -53.3 30.8 32.4 38.6 30 30 A S G >4 S+ 0 0 43 -4,-0.3 3,-1.1 1,-0.3 4,-0.2 0.764 105.0 58.9 -60.8 -33.6 28.9 34.6 36.2 31 31 A I G >< S+ 0 0 25 -4,-2.3 3,-1.9 1,-0.2 -1,-0.3 0.798 95.8 66.5 -67.2 -24.5 26.7 36.3 38.9 32 32 A Q G < S+ 0 0 61 -3,-0.9 129,-0.4 -4,-0.4 -1,-0.2 0.746 88.0 67.9 -67.4 -14.3 30.0 37.4 40.5 33 33 A K G < S- 0 0 184 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.667 122.8 -67.9 -79.9 -12.8 30.5 39.6 37.4 34 34 A G < - 0 0 30 -3,-1.9 2,-0.5 -4,-0.2 -1,-0.3 -0.496 49.9 -78.9 137.5 150.6 27.5 41.6 38.5 35 35 A I + 0 0 6 124,-0.4 2,-0.3 121,-0.4 124,-0.1 -0.682 50.9 160.5 -87.1 129.3 23.8 41.8 39.2 36 36 A Q - 0 0 105 -2,-0.5 118,-0.1 121,-0.0 -2,-0.1 -0.999 47.1-102.5-150.7 136.1 21.6 42.3 36.2 37 37 A K - 0 0 86 -2,-0.3 16,-0.0 116,-0.2 7,-0.0 -0.399 49.5-123.5 -57.9 119.1 17.9 41.7 35.4 38 38 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.203 3.0-136.9 -66.4 159.1 17.9 38.4 33.3 39 39 A K S S+ 0 0 192 3,-0.0 2,-0.4 1,-0.0 -2,-0.1 0.614 89.2 55.0 -85.6 -22.4 16.4 38.2 29.8 40 40 A S S S+ 0 0 105 2,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.914 94.9 25.2-114.6 139.8 14.7 34.9 30.4 41 41 A G S S- 0 0 61 -2,-0.4 4,-0.0 1,-0.2 0, 0.0 -0.230 99.7 -56.5 103.5 177.6 12.3 34.2 33.3 42 42 A T > - 0 0 83 1,-0.1 3,-1.5 -2,-0.1 -1,-0.2 0.378 63.7-130.5 -77.3 -1.0 9.9 36.0 35.6 43 43 A Q T 3 S- 0 0 48 -3,-0.3 9,-1.1 1,-0.3 110,-0.1 0.829 75.9 -35.7 53.1 40.7 12.6 38.4 36.8 44 44 A G T 3 S+ 0 0 35 7,-0.3 2,-0.3 9,-0.0 -1,-0.3 0.023 129.9 33.3 107.3 -29.3 11.9 38.0 40.5 45 45 A N < - 0 0 50 -3,-1.5 6,-0.1 1,-0.1 0, 0.0 -0.972 56.5-138.6-160.5 150.0 8.1 37.7 40.4 46 46 A Y S S+ 0 0 205 -2,-0.3 2,-0.5 4,-0.1 -1,-0.1 0.814 99.1 71.8 -65.3 -37.6 5.1 36.4 38.5 47 47 A D S > S- 0 0 61 1,-0.1 3,-1.2 -3,-0.1 4,-0.2 -0.749 81.0-141.8 -89.4 130.1 3.6 39.8 39.7 48 48 A D G > S+ 0 0 108 -2,-0.5 3,-1.1 1,-0.3 67,-0.2 0.805 99.8 59.7 -53.3 -41.7 4.9 42.9 37.9 49 49 A D G 3 S+ 0 0 13 1,-0.2 66,-2.2 64,-0.2 -1,-0.3 0.830 109.3 45.7 -61.7 -24.6 4.8 45.0 41.1 50 50 A W G < S+ 0 0 21 -3,-1.2 2,-0.2 64,-0.1 -1,-0.2 0.309 77.0 125.9-107.8 10.0 7.2 42.5 42.7 51 51 A K < + 0 0 42 -3,-1.1 102,-0.3 -4,-0.2 2,-0.3 -0.490 39.5 97.8 -69.7 131.9 9.8 42.0 39.9 52 52 A G S S- 0 0 1 -9,-1.1 2,-0.4 -2,-0.2 100,-0.2 -0.967 76.9 -57.6 170.8 179.7 13.3 42.7 41.3 53 53 A F E - E 0 151B 9 98,-1.8 98,-2.5 -2,-0.3 2,-0.4 -0.765 51.2-144.8 -88.4 134.0 16.4 41.1 42.6 54 54 A Y E + E 0 150B 43 -2,-0.4 2,-0.2 96,-0.2 96,-0.2 -0.852 26.9 155.3-110.0 133.3 16.0 38.9 45.8 55 55 A S E - E 0 149B 7 94,-1.6 94,-2.9 -2,-0.4 2,-0.3 -0.811 22.1-148.6-140.9 171.9 18.3 38.4 48.7 56 56 A T E -DE 20 148B 3 -36,-2.2 -36,-2.8 92,-0.2 92,-0.2 -0.988 25.2-125.4-144.3 153.4 18.0 37.3 52.4 57 57 A D S S+ 0 0 69 90,-1.2 2,-0.6 -2,-0.3 91,-0.1 0.649 95.0 76.2 -73.7 -11.2 19.9 38.2 55.5 58 58 A N > - 0 0 49 89,-0.4 4,-2.9 -38,-0.1 3,-0.4 -0.887 61.8-163.5-112.2 115.3 20.4 34.4 56.1 59 59 A K H > S+ 0 0 58 -2,-0.6 4,-1.5 1,-0.3 -1,-0.1 0.736 94.4 54.9 -65.2 -27.6 23.0 32.5 54.0 60 60 A Y H 4 S+ 0 0 41 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.787 110.8 45.8 -75.6 -33.9 21.5 29.2 55.0 61 61 A D H >4 S+ 0 0 15 -3,-0.4 3,-1.1 2,-0.2 -2,-0.2 0.883 109.8 53.4 -70.6 -45.8 18.1 30.4 53.7 62 62 A A H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.896 101.0 64.1 -50.2 -45.3 19.8 31.7 50.6 63 63 A A G >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.765 88.4 67.7 -54.9 -25.1 21.2 28.2 50.2 64 64 A G G < S+ 0 0 51 -3,-1.1 -1,-0.3 -4,-0.5 3,-0.2 0.507 94.6 57.4 -74.5 -2.5 17.7 26.8 49.7 65 65 A Y G < S+ 0 0 113 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.182 86.2 85.9-105.3 15.5 17.4 28.6 46.4 66 66 A S < + 0 0 0 -3,-1.4 12,-2.1 -42,-0.1 2,-0.3 0.458 56.4 113.2-103.2 5.8 20.5 26.9 44.9 67 67 A V B S-I 77 0C 18 10,-0.2 10,-0.2 -3,-0.2 9,-0.1 -0.574 80.2 -94.4 -88.6 134.3 19.2 23.6 43.5 68 68 A D > - 0 0 44 8,-2.7 3,-1.1 -2,-0.3 7,-0.3 -0.087 34.0-140.0 -37.5 124.1 19.1 22.9 39.8 69 69 A N T 3 S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.765 96.9 60.1 -71.4 -19.1 15.7 23.9 38.8 70 70 A E T 3 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.748 120.5 23.4 -76.3 -25.6 15.3 21.0 36.5 71 71 A N S <> S+ 0 0 55 -3,-1.1 4,-2.3 5,-0.1 -1,-0.3 -0.676 73.3 164.2-136.9 75.0 15.8 18.4 39.2 72 72 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.824 71.8 53.8 -69.4 -22.5 14.8 20.3 42.3 73 73 A L T 4 S+ 0 0 67 1,-0.1 -4,-0.0 -3,-0.1 -2,-0.0 0.881 132.0 2.0 -77.8 -41.3 14.4 17.2 44.5 74 74 A S T 4 S+ 0 0 15 -6,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.307 97.2 113.7-132.5 7.9 17.8 15.6 43.9 75 75 A G S < S- 0 0 9 -4,-2.3 2,-0.1 -7,-0.3 -6,-0.0 -0.147 72.9 -74.7 -76.9 177.8 20.0 17.8 41.6 76 76 A K - 0 0 103 -9,-0.1 -8,-2.7 1,-0.0 2,-0.3 -0.367 38.6-135.8 -73.0 152.5 23.2 19.7 42.4 77 77 A A B -I 67 0C 5 97,-0.3 -10,-0.2 -10,-0.2 -53,-0.1 -0.786 13.2-157.7-106.4 144.2 23.1 22.8 44.4 78 78 A G - 0 0 0 -12,-2.1 89,-2.2 -55,-0.5 90,-1.1 0.905 35.8 -93.5 -89.2 -75.0 25.2 25.6 43.1 79 79 A G E -CF 23 166B 0 -56,-2.3 -56,-2.7 87,-0.3 2,-0.4 -0.979 21.3 -90.4-179.2-168.9 26.1 28.1 45.8 80 80 A V E -CF 22 165B 0 85,-3.1 84,-3.2 -2,-0.3 85,-1.4 -0.992 28.5-169.4-129.7 140.2 25.6 31.3 47.8 81 81 A V E -CF 21 163B 0 -60,-1.9 -60,-1.7 -2,-0.4 2,-0.5 -0.955 18.6-132.8-126.4 153.0 27.1 34.7 47.0 82 82 A K E -CF 20 162B 58 80,-3.1 80,-2.1 -2,-0.4 2,-0.4 -0.890 19.6-160.5-103.6 130.3 27.1 37.8 49.2 83 83 A V E -CF 19 161B 0 -64,-2.0 -64,-1.4 -2,-0.5 2,-0.4 -0.924 8.2-169.3-111.4 136.3 26.0 41.0 47.5 84 84 A T E -CF 18 160B 17 76,-2.7 76,-2.8 -2,-0.4 -66,-0.2 -0.961 16.4-141.4-130.0 140.3 26.9 44.4 49.0 85 85 A Y - 0 0 1 -68,-2.5 -68,-0.4 -2,-0.4 -69,-0.3 -0.872 24.8-129.6 -98.3 128.8 25.8 48.0 48.3 86 86 A P S S- 0 0 67 0, 0.0 2,-0.1 0, 0.0 46,-0.1 -0.360 72.5 -0.5 -75.3 146.6 28.5 50.5 48.5 87 87 A G S S- 0 0 35 44,-0.1 -71,-2.7 -2,-0.1 2,-0.4 -0.471 116.0 -12.2 83.1-146.2 27.7 53.6 50.6 88 88 A L E -B 15 0B 65 -73,-0.2 44,-2.6 -2,-0.1 45,-0.7 -0.836 55.6-176.9-103.1 132.5 24.4 54.0 52.4 89 89 A T E -Bg 14 133B 0 -75,-2.5 -75,-2.6 -2,-0.4 2,-0.6 -0.975 20.2-138.2-128.4 135.7 21.4 52.0 51.8 90 90 A K E -Bg 13 134B 9 43,-3.0 45,-2.1 -2,-0.4 2,-0.7 -0.849 11.6-157.8 -88.4 114.9 17.9 52.5 53.4 91 91 A V E -Bg 12 135B 0 -79,-2.8 -79,-1.5 -2,-0.6 2,-0.7 -0.875 11.3-164.1 -94.7 115.7 16.3 49.1 54.5 92 92 A L E - g 0 136B 3 43,-2.5 45,-2.7 -2,-0.7 2,-0.4 -0.899 7.8-147.8-106.7 112.1 12.5 49.9 54.7 93 93 A A E - g 0 137B 12 -2,-0.7 -86,-3.0 -86,-0.5 2,-0.4 -0.654 11.9-145.8 -86.7 127.3 10.7 47.3 56.6 94 94 A L B -A 6 0A 10 43,-3.1 -88,-0.3 -2,-0.4 -89,-0.1 -0.748 16.3-158.7 -98.2 145.2 7.1 46.7 55.4 95 95 A K S S+ 0 0 111 -90,-2.8 2,-0.3 -2,-0.4 -89,-0.1 0.583 84.5 34.9 -87.0 -12.3 4.2 45.8 57.6 96 96 A V - 0 0 49 -91,-0.6 -1,-0.1 2,-0.0 -91,-0.0 -0.951 58.9-154.0-144.0 148.6 2.3 44.4 54.5 97 97 A D + 0 0 116 -2,-0.3 2,-0.8 -3,-0.0 -92,-0.0 0.004 62.6 113.2-111.4 18.2 3.2 42.5 51.2 98 98 A N > - 0 0 82 1,-0.1 4,-1.9 2,-0.0 5,-0.2 -0.847 54.2-158.0 -94.8 111.2 0.2 43.7 49.3 99 99 A A H > S+ 0 0 5 -2,-0.8 4,-1.7 1,-0.2 5,-0.2 0.787 89.1 54.3 -66.1 -25.9 1.4 46.0 46.5 100 100 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 109.7 48.3 -72.7 -41.2 -1.9 47.8 46.0 101 101 A T H > S+ 0 0 40 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.907 112.7 47.9 -59.3 -48.1 -2.0 48.7 49.7 102 102 A I H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.849 112.1 48.6 -63.2 -40.5 1.6 50.0 49.8 103 103 A K H <>S+ 0 0 2 -4,-1.7 5,-3.6 -5,-0.2 -2,-0.2 0.882 117.6 43.5 -69.1 -34.8 1.1 52.1 46.6 104 104 A K H ><5S+ 0 0 110 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.989 119.6 39.1 -73.5 -57.6 -2.1 53.5 48.0 105 105 A E H 3<5S+ 0 0 48 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.840 117.4 48.5 -61.4 -43.8 -0.8 54.2 51.5 106 106 A L T 3<5S- 0 0 4 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.478 110.7-129.3 -76.3 4.0 2.5 55.3 50.4 107 107 A G T < 5 + 0 0 55 -3,-1.7 -3,-0.2 1,-0.1 2,-0.2 0.938 56.7 144.3 50.6 52.2 0.6 57.5 47.9 108 108 A L < - 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0 0 45 -5,-0.5 -1,-0.2 1,-0.1 2,-0.1 -0.420 52.7 -99.6 -98.1 163.0 30.5 15.6 47.5 173 173 A R S > S- 0 0 93 -2,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.391 81.9 -22.3 -75.5 160.7 27.8 13.1 46.4 174 174 A G T 3 S- 0 0 25 1,-0.2 -97,-0.3 2,-0.1 3,-0.2 -0.035 122.9 -33.5 43.8-127.6 24.2 14.2 46.0 175 175 A Q T 3> S+ 0 0 7 1,-0.1 4,-2.6 -99,-0.1 -1,-0.2 -0.071 98.1 124.7-116.6 26.7 23.3 17.3 48.0 176 176 A D H <> S+ 0 0 2 -3,-2.0 4,-2.2 1,-0.2 5,-0.2 0.863 72.0 50.1 -53.0 -52.6 25.8 16.4 50.8 177 177 A A H > S+ 0 0 7 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.916 111.5 48.9 -58.1 -42.5 27.7 19.8 50.6 178 178 A M H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.963 115.1 43.5 -63.1 -55.8 24.4 21.9 50.7 179 179 A Y H X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.840 111.5 53.0 -62.3 -30.6 23.1 20.0 53.8 180 180 A E H < S+ 0 0 91 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.898 110.6 49.4 -71.9 -33.2 26.4 20.0 55.6 181 181 A Y H >< S+ 0 0 9 -4,-1.9 3,-0.8 -5,-0.2 4,-0.3 0.912 110.9 47.8 -67.8 -45.5 26.5 23.8 55.1 182 182 A M H >< S+ 0 0 21 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.831 103.5 62.2 -63.7 -34.0 22.9 24.2 56.4 183 183 A A G >< S+ 0 0 13 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.661 88.9 73.0 -64.4 -18.9 23.7 22.0 59.5 184 184 A Q G X S+ 0 0 94 -3,-0.8 3,-1.3 -4,-0.5 -1,-0.3 0.725 76.0 78.6 -65.5 -29.6 26.3 24.6 60.5 185 185 A A G < S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.712 103.5 34.3 -47.1 -31.8 23.4 26.8 61.4 186 186 A a G < 0 0 39 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.197 360.0 360.0-114.2 15.4 23.1 24.8 64.7 187 187 A A < 0 0 102 -3,-1.3 -1,-0.3 -4,-0.1 3,-0.1 -0.635 360.0 360.0 93.6 360.0 27.0 24.0 65.3 188 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 189 200 A S 0 0 175 0, 0.0 176,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 127.3 21.5 19.0 69.8 190 201 A a - 0 0 27 174,-0.1 2,-0.8 171,-0.1 172,-0.1 0.434 360.0-124.8 97.3 122.7 22.2 19.5 66.1 191 202 A I + 0 0 23 170,-0.2 -5,-0.1 1,-0.0 2,-0.1 -0.938 39.2 165.1 -93.9 105.8 22.4 16.6 63.7 192 203 A N + 0 0 75 -2,-0.8 2,-0.1 121,-0.2 -12,-0.1 -0.623 15.0 171.2-126.0 63.9 25.9 17.1 62.0 193 204 A L - 0 0 25 -2,-0.1 2,-1.0 121,-0.1 3,-0.1 -0.315 37.9-125.8 -76.4 148.8 26.5 13.7 60.4 194 205 A D > - 0 0 74 1,-0.2 4,-1.9 -2,-0.1 5,-0.1 -0.887 24.5-173.0 -99.9 105.7 29.3 12.8 58.0 195 206 A W H > S+ 0 0 20 -2,-1.0 4,-3.3 2,-0.2 5,-0.2 0.746 80.5 64.7 -71.1 -23.5 27.4 11.5 55.1 196 207 A D H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.976 109.7 41.0 -61.7 -45.0 30.5 10.4 53.3 197 208 A V H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 114.4 49.5 -67.7 -46.1 31.0 8.0 56.2 198 209 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.916 112.5 50.2 -58.7 -41.8 27.4 7.0 56.3 199 210 A R H X S+ 0 0 12 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.958 114.3 44.1 -61.8 -48.4 27.5 6.4 52.5 200 211 A D H X S+ 0 0 88 -4,-2.9 4,-2.1 -5,-0.2 3,-0.5 0.962 112.7 48.3 -63.7 -51.1 30.6 4.3 52.8 201 212 A K H X S+ 0 0 78 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.780 108.3 57.6 -56.8 -36.2 29.5 2.1 55.9 202 213 A T H X S+ 0 0 1 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.870 107.4 45.7 -61.0 -44.6 26.1 1.5 54.3 203 214 A K H X S+ 0 0 70 -4,-1.3 4,-3.0 -3,-0.5 5,-0.2 0.988 112.2 50.6 -62.8 -59.4 27.7 -0.1 51.1 204 215 A T H X S+ 0 0 76 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.839 115.5 45.1 -43.8 -44.3 30.1 -2.2 53.2 205 216 A K H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.863 109.6 51.1 -72.4 -44.9 27.1 -3.4 55.2 206 217 A I H X S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.964 114.5 47.1 -59.7 -46.7 24.8 -4.1 52.4 207 218 A E H X S+ 0 0 104 -4,-3.0 4,-1.4 1,-0.2 3,-0.5 0.936 112.6 47.4 -57.1 -50.9 27.6 -6.1 50.8 208 219 A S H X S+ 0 0 39 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.849 109.1 53.9 -59.9 -39.1 28.4 -8.1 54.0 209 220 A L H < S+ 0 0 1 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.833 104.1 56.6 -67.3 -32.6 24.8 -8.9 54.7 210 221 A K H < S+ 0 0 70 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.908 107.9 47.3 -64.3 -39.5 24.4 -10.4 51.3 211 222 A E H < S+ 0 0 134 -4,-1.4 -1,-0.2 4,-0.1 2,-0.2 0.654 84.6 115.4 -74.0 -23.1 27.3 -12.8 52.0 212 223 A H >X - 0 0 47 -4,-0.9 4,-3.5 -5,-0.2 3,-0.5 -0.386 63.6-142.8 -59.6 120.7 25.9 -13.8 55.3 213 224 A G H 3> S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.861 96.8 45.8 -52.6 -50.1 24.9 -17.4 55.1 214 225 A P H 3> S+ 0 0 68 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.774 118.0 46.7 -66.0 -25.6 21.7 -17.4 57.2 215 226 A I H <> S+ 0 0 1 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.967 109.6 51.5 -74.7 -60.5 20.6 -14.3 55.2 216 227 A K H < S+ 0 0 114 -4,-3.5 -3,-0.2 1,-0.3 -1,-0.2 0.654 117.9 43.5 -46.4 -25.6 21.6 -16.0 51.9 217 228 A N H >X S+ 0 0 95 -4,-1.0 3,-1.3 -5,-0.3 4,-1.0 0.796 104.9 56.8 -86.1 -50.4 19.4 -18.8 53.3 218 229 A K H >X S+ 0 0 13 -4,-2.1 3,-0.9 1,-0.3 4,-0.6 0.902 108.0 54.0 -52.2 -34.5 16.5 -16.7 54.6 219 230 A M H 3< S+ 0 0 45 -4,-2.9 3,-0.4 1,-0.3 -1,-0.3 0.770 98.5 61.1 -67.6 -30.6 16.4 -15.6 51.0 220 231 A S H <4 S+ 0 0 90 -3,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.666 100.5 54.6 -70.2 -24.8 16.3 -19.2 49.9 221 232 A E H << S+ 0 0 123 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.658 87.0 112.0 -78.8 -22.3 12.9 -19.5 51.8 222 233 A S S < S- 0 0 14 -4,-0.6 10,-0.0 -3,-0.4 -3,-0.0 -0.333 74.6-132.6 -56.8 129.4 11.7 -16.5 49.8 223 234 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.689 28.4-155.1 -55.5 -21.7 8.9 -17.2 47.3 224 235 A N + 0 0 118 107,-0.2 2,-0.3 -5,-0.1 111,-0.1 0.706 66.9 63.4 46.4 33.5 11.0 -15.2 44.7 225 236 A K S S- 0 0 144 110,-0.0 -1,-0.1 0, 0.0 110,-0.0 -0.934 105.8 -49.3-170.8 159.3 7.8 -14.4 42.8 226 237 A T + 0 0 87 -2,-0.3 2,-0.3 111,-0.1 110,-0.2 -0.118 58.2 159.1 -44.7 125.7 4.6 -12.4 43.4 227 238 A V - 0 0 34 108,-2.3 5,-0.0 -3,-0.0 -3,-0.0 -0.918 51.9 -82.3-144.2 152.0 2.8 -13.3 46.7 228 239 A S >> - 0 0 79 -2,-0.3 4,-3.4 1,-0.1 3,-0.8 -0.374 40.0-114.0 -62.7 149.6 0.3 -11.0 48.4 229 240 A E H 3> S+ 0 0 65 1,-0.3 4,-4.8 2,-0.2 5,-0.3 0.856 118.6 68.2 -52.3 -31.6 1.9 -8.3 50.6 230 241 A E H 3> S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.965 112.0 27.7 -56.5 -50.2 0.2 -10.2 53.4 231 242 A K H <> S+ 0 0 72 -3,-0.8 4,-3.2 2,-0.2 -2,-0.2 0.821 121.2 55.8 -79.8 -25.2 2.6 -13.2 52.8 232 243 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 2,-0.2 -2,-0.2 0.903 107.4 50.1 -69.1 -32.8 5.3 -10.7 51.5 233 244 A K H X S+ 0 0 72 -4,-4.8 4,-2.3 -5,-0.3 5,-0.2 0.979 112.5 48.7 -67.1 -49.1 4.9 -8.9 54.8 234 245 A Q H X S+ 0 0 91 -4,-2.0 4,-1.4 -5,-0.3 5,-0.2 0.911 111.4 45.7 -57.5 -51.4 5.4 -12.3 56.5 235 246 A Y H >X S+ 0 0 1 -4,-3.2 4,-3.0 1,-0.2 3,-0.5 0.971 114.9 52.2 -56.6 -45.1 8.4 -13.3 54.6 236 247 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.795 105.0 50.9 -61.1 -38.2 9.8 -9.8 55.2 237 248 A E H 3X S+ 0 0 76 -4,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.796 114.1 46.5 -69.3 -36.0 9.4 -9.7 59.0 238 249 A E H < S+ 0 0 2 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.809 102.4 61.5 -72.4 -34.4 19.3 -9.9 59.1 244 255 A L T 3< S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.615 92.5 66.3 -69.8 -10.0 19.1 -7.9 62.4 245 256 A E T 3 S+ 0 0 147 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.455 75.7 114.2 -86.5 -1.7 21.1 -10.8 64.1 246 257 A H S X S- 0 0 10 -3,-1.6 3,-2.6 1,-0.1 7,-0.1 -0.595 76.4-128.2 -75.1 130.3 24.0 -9.9 61.9 247 258 A P G > S+ 0 0 91 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.624 106.5 61.3 -52.1 -15.7 26.9 -8.6 64.0 248 259 A E G 3 S+ 0 0 63 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.549 104.6 44.7 -93.8 -8.0 27.1 -5.5 61.8 249 260 A L G <> S+ 0 0 0 -3,-2.6 4,-0.6 -6,-0.2 -1,-0.3 -0.328 83.7 116.2-121.7 39.8 23.6 -4.3 62.6 250 261 A S H <> S+ 0 0 38 -3,-0.7 4,-1.8 2,-0.2 -2,-0.1 0.947 72.5 45.7 -76.6 -55.3 24.1 -5.0 66.4 251 262 A E H >> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.913 114.0 53.2 -51.5 -48.9 23.8 -1.5 67.9 252 263 A L H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.822 103.4 58.1 -55.3 -35.9 20.7 -1.1 65.6 253 264 A K H 3< S+ 0 0 95 -4,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.912 111.1 41.3 -61.7 -41.3 19.6 -4.4 67.2 254 265 A T H X< S+ 0 0 95 -4,-1.8 3,-1.7 -3,-0.5 4,-0.4 0.984 114.4 48.9 -70.2 -58.9 19.7 -2.7 70.6 255 266 A V H 3< S+ 0 0 57 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.665 113.2 45.3 -59.5 -19.2 18.2 0.7 69.7 256 267 A T T 3< S+ 0 0 9 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.1 0.287 89.3 91.5-107.3 12.1 15.2 -0.6 67.8 257 268 A G S < S+ 0 0 62 -3,-1.7 -2,-0.1 1,-0.1 -1,-0.1 0.900 92.7 28.6 -77.7 -37.4 14.2 -3.2 70.3 258 269 A T S S+ 0 0 130 -4,-0.4 -2,-0.1 -3,-0.1 -1,-0.1 0.962 98.7 81.2 -89.7 -53.3 11.8 -1.3 72.5 259 270 A N > - 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