==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 04-JAN-12 4AE0 . COMPND 2 MOLECULE: DIPHTHERIA TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR E.MALITO,G.SPRAGGON . 499 5 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 2 4 1 0 0 0 0 0 1 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 3 2 6 1 4 0 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 5 A V 0 0 44 0, 0.0 79,-3.0 0, 0.0 80,-0.8 0.000 360.0 360.0 360.0 -23.6 -8.7 -3.8 22.1 2 6 A V B -A 79 0A 26 77,-0.3 2,-1.3 78,-0.2 77,-0.2 -0.983 360.0-145.2-133.4 128.2 -12.2 -4.7 23.3 3 7 A D > - 0 0 56 75,-2.0 3,-1.3 -2,-0.4 75,-0.4 -0.687 17.9-178.3 -89.3 88.2 -13.8 -3.8 26.7 4 8 A S G > S+ 0 0 95 -2,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.861 78.5 60.8 -54.1 -39.3 -16.0 -6.9 27.3 5 9 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.777 108.8 43.5 -64.1 -25.5 -17.4 -5.4 30.6 6 10 A K G < S+ 0 0 45 -3,-1.3 -1,-0.3 72,-0.1 2,-0.2 0.340 99.4 91.8-100.0 3.1 -18.8 -2.5 28.6 7 11 A S < + 0 0 17 -3,-1.7 2,-0.3 -4,-0.3 70,-0.2 -0.665 51.2 156.8 -97.3 156.4 -20.1 -4.6 25.8 8 12 A F E -B 76 0B 93 68,-1.6 68,-2.7 -2,-0.2 2,-0.4 -0.982 39.3-107.6-164.7 169.8 -23.7 -6.1 25.7 9 13 A V E -B 75 0B 62 -2,-0.3 2,-0.4 66,-0.2 66,-0.2 -0.953 34.9-174.6-112.2 133.6 -26.6 -7.4 23.8 10 14 A M E > -B 74 0B 77 64,-2.7 64,-2.9 -2,-0.4 3,-0.6 -0.981 22.6-137.5-131.8 138.5 -29.8 -5.4 23.3 11 15 A E E 3 S+B 73 0B 134 -2,-0.4 62,-0.2 62,-0.2 61,-0.0 -0.776 94.2 7.3 -86.1 133.5 -33.2 -6.0 21.8 12 16 A N T 3 S- 0 0 89 60,-2.1 -1,-0.2 -2,-0.4 2,-0.2 0.883 86.3-165.3 61.4 45.5 -34.4 -3.0 19.8 13 17 A F < - 0 0 4 -3,-0.6 57,-2.7 59,-0.4 2,-0.3 -0.401 10.5-177.6 -64.5 122.7 -31.1 -1.0 20.0 14 18 A S E +C 69 0B 33 55,-0.2 2,-0.3 -2,-0.2 55,-0.2 -0.829 13.1 164.5-122.7 164.1 -31.5 2.6 19.1 15 19 A S E -C 68 0B 1 53,-1.8 53,-2.5 -2,-0.3 2,-0.3 -0.896 31.4 -97.4-157.7-172.9 -29.3 5.7 18.7 16 20 A Y E -CD 67 41B 40 25,-3.0 25,-2.3 -2,-0.3 2,-0.4 -0.901 20.4-164.6-126.4 147.0 -29.4 9.2 17.1 17 21 A H E -C 66 0B 44 49,-2.3 49,-2.1 -2,-0.3 2,-0.3 -0.986 19.7-132.4-134.8 123.6 -28.1 10.7 13.9 18 22 A G E -C 65 0B 10 -2,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.589 28.3-154.4 -75.0 136.8 -27.6 14.4 13.1 19 23 A T E -C 64 0B 4 45,-3.2 45,-2.3 -2,-0.3 44,-0.4 -0.948 8.0-126.1-127.8 126.2 -29.1 15.3 9.7 20 24 A K > - 0 0 51 -2,-0.4 3,-2.3 43,-0.2 4,-0.3 -0.227 42.5 -82.9 -66.8 152.9 -28.3 18.1 7.3 21 25 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.308 119.3 28.4 -53.1 133.4 -30.8 20.6 5.9 22 26 A G T 3 S+ 0 0 70 -3,-0.1 4,-0.3 41,-0.0 -2,-0.1 0.180 111.7 70.0 100.0 -14.3 -32.5 19.0 2.9 23 27 A Y <> + 0 0 146 -3,-2.3 4,-2.2 2,-0.1 5,-0.2 0.389 62.7 96.3-117.3 0.8 -32.2 15.4 4.2 24 28 A V H > S+ 0 0 5 -4,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.821 94.9 35.6 -68.4 -30.4 -34.5 15.2 7.2 25 29 A D H 4 S+ 0 0 124 2,-0.1 3,-0.4 1,-0.1 4,-0.2 0.898 116.5 50.8 -87.6 -42.0 -37.4 13.7 5.2 26 30 A S H >4 S+ 0 0 72 -4,-0.3 3,-1.6 1,-0.2 4,-0.3 0.863 104.6 58.3 -66.6 -35.0 -35.4 11.5 2.8 27 31 A I H >< S+ 0 0 22 -4,-2.2 3,-2.5 1,-0.3 -1,-0.2 0.876 94.0 65.8 -61.8 -35.9 -33.4 9.9 5.5 28 32 A Q T 3< S+ 0 0 55 -4,-0.5 118,-0.4 -3,-0.4 -1,-0.3 0.581 92.0 64.5 -65.8 -6.4 -36.5 8.6 7.2 29 33 A K T < S- 0 0 97 -3,-1.6 -1,-0.3 1,-0.4 2,-0.2 0.611 123.6 -62.0 -87.2 -14.5 -37.1 6.4 4.2 30 34 A G < - 0 0 30 -3,-2.5 2,-0.7 -4,-0.3 -1,-0.4 -0.832 50.3 -81.2 152.5 171.8 -33.9 4.5 5.0 31 35 A I + 0 0 10 110,-0.3 113,-0.1 113,-0.3 -4,-0.1 -0.897 56.2 143.5-109.1 109.0 -30.1 4.6 5.5 32 36 A Q 0 0 83 -2,-0.7 -1,-0.1 110,-0.0 109,-0.1 0.855 360.0 360.0-110.9 -75.3 -28.3 4.4 2.2 33 37 A K 0 0 121 4,-0.0 -2,-0.1 5,-0.0 105,-0.0 0.225 360.0 360.0 173.8 360.0 -25.0 6.4 1.7 34 ! 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 35 50 A W 0 0 121 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.0 -18.6 8.0 4.3 36 51 A K + 0 0 75 1,-0.1 2,-0.3 101,-0.0 102,-0.3 0.497 360.0 24.0 -86.9 -7.1 -16.9 4.6 4.6 37 52 A E S S- 0 0 56 100,-0.1 2,-0.5 101,-0.1 100,-0.2 -0.986 81.1-116.8-152.8 154.2 -19.1 4.1 7.6 38 53 A F E - E 0 136B 8 98,-2.6 98,-2.7 -2,-0.3 2,-0.4 -0.860 33.1-151.9 -99.2 124.3 -22.4 5.3 9.1 39 54 A Y E + E 0 135B 94 -2,-0.5 2,-0.3 96,-0.2 96,-0.2 -0.759 22.4 158.3-104.6 137.1 -22.1 7.2 12.4 40 55 A S E - E 0 134B 5 94,-1.9 94,-3.9 -2,-0.4 2,-0.3 -0.914 19.2-148.8-141.7 172.2 -24.6 7.5 15.3 41 56 A T E -DE 16 133B 7 -25,-2.3 -25,-3.0 -2,-0.3 92,-0.2 -0.955 24.8-126.3-143.1 160.1 -24.5 8.4 19.0 42 57 A D S S+ 0 0 70 90,-1.3 2,-0.6 -2,-0.3 91,-0.1 0.587 94.8 74.3 -82.0 -8.9 -26.4 7.6 22.2 43 58 A N > - 0 0 47 89,-0.4 4,-1.9 -27,-0.2 3,-0.3 -0.909 62.1-164.0-114.3 114.9 -26.9 11.3 22.9 44 59 A K H > S+ 0 0 58 -2,-0.6 4,-1.6 1,-0.2 -1,-0.1 0.761 90.8 58.5 -70.4 -23.0 -29.5 13.1 20.8 45 60 A Y H > S+ 0 0 43 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.879 106.1 46.2 -75.2 -37.6 -28.0 16.5 21.9 46 61 A D H >> S+ 0 0 9 -3,-0.3 3,-1.2 1,-0.2 4,-0.9 0.879 108.8 57.9 -67.9 -35.1 -24.6 15.7 20.4 47 62 A A H >< S+ 0 0 2 -4,-1.9 3,-0.6 1,-0.3 -2,-0.2 0.917 96.4 62.3 -56.4 -42.7 -26.4 14.5 17.4 48 63 A A H >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.2 -1,-0.3 0.772 94.5 65.4 -54.4 -26.5 -27.9 17.9 17.1 49 64 A G H X< S+ 0 0 32 -3,-1.2 2,-1.7 -4,-0.6 3,-0.6 0.948 96.2 52.0 -62.2 -52.0 -24.3 19.1 16.6 50 65 A Y T << S+ 0 0 136 -4,-0.9 -1,-0.3 -3,-0.6 14,-0.1 -0.368 86.5 90.7 -84.7 57.9 -23.8 17.4 13.3 51 66 A S T < + 0 0 0 -2,-1.7 12,-3.5 -3,-0.6 2,-0.4 0.172 58.0 110.9-134.6 13.5 -26.9 18.9 11.7 52 67 A V B < S-I 62 0C 14 -3,-0.6 10,-0.2 10,-0.3 -32,-0.1 -0.773 77.9 -92.6 -99.7 138.2 -25.5 22.1 10.2 53 68 A D > - 0 0 33 8,-2.5 3,-0.5 -2,-0.4 7,-0.3 -0.126 27.9-144.0 -42.6 121.8 -25.1 22.8 6.5 54 69 A N T 3 S+ 0 0 122 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.812 98.5 57.8 -62.5 -34.1 -21.6 21.9 5.2 55 70 A E T 3 S+ 0 0 165 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.836 124.4 24.4 -64.4 -30.2 -21.3 24.8 2.8 56 71 A N S <> S+ 0 0 51 -3,-0.5 4,-2.1 5,-0.1 -1,-0.3 -0.567 72.9 160.8-134.0 68.0 -21.9 27.1 5.8 57 72 A P T 4 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.858 72.2 53.3 -61.8 -38.2 -20.7 25.1 8.9 58 73 A L T 4 S- 0 0 70 1,-0.2 -2,-0.1 -4,-0.1 213,-0.0 0.945 133.3 -1.7 -63.1 -54.7 -20.3 28.2 11.1 59 74 A S T 4 S+ 0 0 15 -6,-0.1 -1,-0.2 100,-0.0 3,-0.1 0.158 98.1 125.8-129.6 14.4 -23.7 29.9 10.8 60 75 A G < - 0 0 8 -4,-2.1 2,-0.1 -7,-0.3 -6,-0.0 -0.071 67.4 -77.0 -73.7 176.6 -25.7 27.8 8.4 61 76 A K - 0 0 117 -9,-0.1 -8,-2.5 1,-0.0 2,-0.4 -0.435 40.8-132.1 -73.2 146.4 -29.1 26.2 8.9 62 77 A A B -I 52 0C 7 97,-0.3 -10,-0.3 -10,-0.2 91,-0.2 -0.838 12.8-161.3 -98.9 139.2 -29.5 23.1 11.0 63 78 A G - 0 0 0 -12,-3.5 89,-2.0 -2,-0.4 90,-1.1 0.937 36.7-103.3 -81.9 -85.6 -31.5 20.2 9.7 64 79 A G E -CF 19 151B 0 -45,-2.3 -45,-3.2 87,-0.3 2,-0.4 -0.964 21.7 -85.9-176.8-162.7 -32.5 17.9 12.5 65 80 A V E -CF 18 150B 0 85,-2.5 84,-2.3 -2,-0.3 85,-1.9 -0.997 30.3-168.9-131.2 134.3 -32.1 14.7 14.4 66 81 A V E -CF 17 148B 0 -49,-2.1 -49,-2.3 -2,-0.4 2,-0.4 -0.857 17.7-131.3-117.9 160.1 -33.5 11.2 13.7 67 82 A K E -CF 16 147B 68 80,-3.6 80,-3.3 -2,-0.3 2,-0.4 -0.919 19.3-161.1-110.2 133.8 -33.6 8.1 15.8 68 83 A V E -CF 15 146B 0 -53,-2.5 -53,-1.8 -2,-0.4 2,-0.4 -0.964 5.7-167.8-120.2 135.4 -32.6 4.8 14.3 69 84 A T E -CF 14 145B 31 76,-2.1 76,-2.2 -2,-0.4 -55,-0.2 -0.963 14.4-142.6-127.1 133.3 -33.5 1.4 15.7 70 85 A Y - 0 0 2 -57,-2.7 -57,-0.4 -2,-0.4 -58,-0.3 -0.824 24.5-129.4 -90.6 130.3 -32.2 -2.2 14.9 71 86 A P S S- 0 0 63 0, 0.0 46,-0.1 0, 0.0 -58,-0.1 -0.356 71.5 -0.8 -70.2 158.2 -34.8 -4.9 15.0 72 87 A G S S- 0 0 34 44,-0.1 -60,-2.1 -2,-0.1 -59,-0.4 -0.220 117.8 -12.6 62.2-150.1 -34.1 -8.0 17.0 73 88 A L E -B 11 0B 68 -62,-0.2 44,-2.1 42,-0.2 45,-0.6 -0.720 57.3-171.1 -94.6 130.0 -30.9 -8.4 18.9 74 89 A T E -Bg 10 118B 0 -64,-2.9 -64,-2.7 -2,-0.4 2,-0.7 -0.974 15.3-143.1-119.0 132.1 -27.9 -6.1 18.4 75 90 A K E -Bg 9 119B 16 43,-2.7 45,-2.8 -2,-0.4 2,-0.7 -0.826 11.2-154.7 -90.8 115.6 -24.5 -6.7 19.9 76 91 A V E -Bg 8 120B 1 -68,-2.7 -68,-1.6 -2,-0.7 2,-0.8 -0.829 8.4-161.6 -92.6 117.2 -22.7 -3.5 21.0 77 92 A L E - g 0 121B 7 43,-3.1 45,-2.7 -2,-0.7 2,-0.4 -0.836 7.2-148.2-104.6 103.7 -19.0 -4.1 20.9 78 93 A A E - g 0 122B 11 -2,-0.8 -75,-2.0 -75,-0.4 2,-0.3 -0.541 15.1-147.4 -74.5 125.3 -17.1 -1.5 23.0 79 94 A L B -A 2 0A 15 43,-3.2 -77,-0.3 -2,-0.4 3,-0.1 -0.716 17.7-160.6 -99.7 143.5 -13.6 -0.8 21.6 80 95 A K S S+ 0 0 133 -79,-3.0 2,-0.3 -2,-0.3 -78,-0.2 0.766 81.7 30.0 -86.2 -32.0 -10.5 0.2 23.6 81 96 A V - 0 0 51 -80,-0.8 -1,-0.1 2,-0.1 6,-0.0 -0.934 60.1-148.3-129.1 153.1 -8.6 1.7 20.6 82 97 A D + 0 0 133 -2,-0.3 2,-0.8 -3,-0.1 -1,-0.0 0.238 62.3 117.9-100.2 12.6 -9.7 3.4 17.4 83 98 A N > - 0 0 73 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.709 52.3-157.2 -87.4 108.6 -6.8 2.1 15.3 84 99 A A H > S+ 0 0 57 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.922 92.6 46.0 -46.5 -56.2 -8.0 -0.0 12.4 85 100 A E H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.924 110.9 51.6 -56.5 -50.2 -4.8 -2.0 12.0 86 101 A T H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 111.0 51.0 -53.5 -41.2 -4.3 -2.6 15.7 87 102 A I H X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 6,-0.3 0.954 107.2 48.2 -64.9 -54.5 -7.9 -4.0 15.9 88 103 A K H <>S+ 0 0 9 -4,-2.2 5,-1.1 1,-0.2 4,-0.4 0.739 113.9 53.1 -60.1 -20.7 -7.7 -6.5 13.0 89 104 A K H <5S+ 0 0 72 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.2 0.933 109.2 40.5 -82.0 -51.1 -4.4 -7.7 14.6 90 105 A E H <5S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.648 114.7 54.0 -77.2 -15.3 -5.3 -8.5 18.2 91 106 A L T <5S- 0 0 22 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.654 110.8-119.9 -90.0 -16.4 -8.6 -10.0 17.2 92 107 A G T 5 + 0 0 62 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.671 63.4 147.2 84.8 18.7 -7.0 -12.4 14.7 93 108 A L < - 0 0 25 -5,-1.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.404 61.1 -76.9 -81.7 161.8 -8.9 -11.0 11.8 94 109 A S - 0 0 60 1,-0.1 -1,-0.1 -2,-0.1 8,-0.1 -0.345 33.1-151.1 -54.7 134.3 -7.6 -10.7 8.3 95 110 A L S S+ 0 0 100 -3,-0.1 -1,-0.1 1,-0.1 4,-0.1 0.316 86.9 61.2 -91.7 8.4 -5.2 -7.8 8.0 96 111 A T S S+ 0 0 88 2,-0.1 3,-0.1 -8,-0.1 -1,-0.1 0.893 87.1 61.9 -96.1 -74.2 -6.2 -7.3 4.4 97 112 A E S S- 0 0 47 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.195 99.8 -87.5 -57.5 146.4 -9.9 -6.5 4.0 98 113 A P > - 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.253 35.3-124.6 -57.5 142.4 -11.1 -3.3 5.5 99 114 A L H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.891 106.5 48.4 -59.3 -47.9 -12.2 -3.7 9.2 100 115 A M H > S+ 0 0 15 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.850 110.0 52.6 -66.1 -35.0 -15.8 -2.3 8.9 101 116 A E H >4 S+ 0 0 54 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.947 109.9 49.6 -61.4 -46.7 -16.5 -4.5 5.9 102 117 A Q H >< S+ 0 0 29 -4,-2.2 3,-1.4 1,-0.2 6,-0.3 0.845 101.2 64.5 -59.2 -34.6 -15.3 -7.5 7.9 103 118 A V H 3< S+ 0 0 2 -4,-1.8 16,-0.4 1,-0.3 -1,-0.2 0.783 100.6 50.9 -63.2 -28.0 -17.6 -6.5 10.8 104 119 A G T << S+ 0 0 22 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.531 88.6 105.9 -86.8 -7.7 -20.6 -7.0 8.6 105 120 A T S <> S- 0 0 59 -3,-1.4 4,-1.6 -4,-0.4 5,-0.1 -0.309 77.2-123.0 -72.5 158.4 -19.6 -10.5 7.5 106 121 A E H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.864 109.5 57.9 -70.2 -37.3 -21.3 -13.6 9.0 107 122 A E H > S+ 0 0 165 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.843 109.2 47.0 -62.6 -33.1 -18.1 -15.2 10.3 108 123 A F H > S+ 0 0 15 -6,-0.3 4,-2.2 2,-0.2 5,-0.3 0.903 111.9 48.7 -72.9 -43.7 -17.5 -12.0 12.4 109 124 A I H X S+ 0 0 20 -4,-1.6 4,-1.5 1,-0.2 6,-0.4 0.824 108.7 53.2 -69.6 -33.2 -21.1 -11.9 13.7 110 125 A K H < S+ 0 0 88 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.817 114.5 43.6 -69.2 -28.8 -21.1 -15.5 14.8 111 126 A R H < S+ 0 0 149 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.827 130.3 18.2 -89.0 -35.8 -17.9 -15.0 16.7 112 127 A F H < S+ 0 0 36 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.475 105.9 81.1-114.4 -6.1 -18.5 -11.7 18.5 113 128 A G S >< S- 0 0 0 -4,-1.5 3,-1.5 -5,-0.3 5,-0.2 0.699 77.3-145.3 -78.8 -20.5 -22.3 -11.4 18.3 114 129 A D T 3 S- 0 0 120 1,-0.3 -4,-0.1 -4,-0.2 -3,-0.1 0.843 82.4 -41.7 54.4 33.3 -23.1 -13.7 21.2 115 130 A G T 3 S+ 0 0 71 -6,-0.4 -1,-0.3 1,-0.3 -42,-0.2 0.384 107.4 138.1 97.3 -3.3 -26.2 -14.6 19.2 116 131 A A < - 0 0 8 -3,-1.5 -1,-0.3 -7,-0.2 -42,-0.2 -0.358 62.1-124.2 -72.1 154.9 -27.0 -11.1 18.0 117 132 A S S S- 0 0 70 -44,-2.1 2,-0.3 1,-0.2 -43,-0.2 0.655 89.0 -2.2 -73.3 -16.6 -28.1 -10.5 14.4 118 133 A R E -g 74 0B 17 -45,-0.6 -43,-2.7 -5,-0.2 2,-0.4 -0.980 66.9-120.0-166.5 159.1 -25.3 -8.0 14.0 119 134 A V E -g 75 0B 7 -16,-0.4 2,-0.4 -2,-0.3 18,-0.3 -0.910 17.6-168.0-108.3 136.8 -22.4 -6.2 15.7 120 135 A V E -g 76 0B 1 -45,-2.8 -43,-3.1 -2,-0.4 2,-0.3 -0.992 21.5-131.6-119.1 130.5 -22.1 -2.4 16.1 121 136 A L E -gH 77 135B 6 14,-1.4 14,-2.6 -2,-0.4 2,-0.4 -0.629 19.8-154.5 -84.6 141.4 -18.8 -1.0 17.3 122 137 A S E +gH 78 134B 12 -45,-2.7 -43,-3.2 -2,-0.3 12,-0.2 -0.925 15.5 172.2-120.8 138.7 -18.7 1.5 20.1 123 138 A L E - H 0 133B 29 10,-2.2 10,-3.2 -2,-0.4 -43,-0.1 -0.993 45.5 -89.5-140.2 148.1 -16.1 4.2 21.0 124 139 A P E - H 0 132B 94 0, 0.0 8,-0.3 0, 0.0 3,-0.1 -0.351 40.1-133.1 -52.1 132.7 -16.0 7.0 23.5 125 140 A F - 0 0 35 6,-2.4 2,-0.3 1,-0.2 7,-0.1 0.946 67.9 -35.9 -58.0 -54.2 -17.5 10.0 21.7 126 141 A A S > S- 0 0 47 5,-0.4 3,-1.8 3,-0.2 -1,-0.2 -0.988 70.6 -75.2-164.1 161.4 -14.9 12.5 22.6 127 142 A E T 3 S+ 0 0 176 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.489 121.0 22.2 -62.6 132.2 -12.5 13.6 25.3 128 143 A G T 3 S+ 0 0 67 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.501 106.7 102.0 86.5 5.1 -14.5 15.4 28.0 129 144 A S < - 0 0 42 -3,-1.8 -1,-0.3 2,-0.1 -3,-0.2 -0.914 58.2-156.8-120.0 146.8 -17.8 13.7 27.0 130 145 A S + 0 0 118 -2,-0.4 2,-0.1 -3,-0.1 -1,-0.1 0.282 66.9 105.6 -98.1 11.7 -19.6 10.8 28.6 131 146 A S - 0 0 7 -5,-0.1 -6,-2.4 -88,-0.0 -5,-0.4 -0.355 61.8-136.5 -84.9 167.7 -21.4 10.0 25.2 132 147 A V E - H 0 124B 34 -8,-0.3 -90,-1.3 -7,-0.1 2,-0.4 -0.919 4.4-143.1-122.3 154.7 -20.6 7.2 22.9 133 148 A E E -EH 41 123B 49 -10,-3.2 -10,-2.2 -2,-0.3 2,-0.4 -0.937 13.6-148.4-113.5 137.4 -20.2 7.0 19.1 134 149 A Y E -EH 40 122B 18 -94,-3.9 -94,-1.9 -2,-0.4 2,-0.6 -0.903 0.4-152.2-108.5 135.6 -21.5 4.1 17.2 135 150 A I E -EH 39 121B 12 -14,-2.6 -14,-1.4 -2,-0.4 2,-0.5 -0.927 19.0-164.6-107.6 118.5 -19.8 2.9 13.9 136 151 A N E -E 38 0B 0 -98,-2.7 -98,-2.6 -2,-0.6 2,-0.3 -0.888 20.4-125.6-112.7 130.5 -22.3 1.2 11.7 137 152 A N > - 0 0 26 -2,-0.5 4,-1.9 -18,-0.3 -100,-0.1 -0.552 24.3-132.3 -65.6 131.0 -21.6 -1.0 8.6 138 153 A W T 4 S+ 0 0 58 -2,-0.3 4,-0.5 -102,-0.3 -1,-0.1 0.831 102.6 50.5 -57.6 -39.3 -23.5 0.4 5.7 139 154 A E T >4 S+ 0 0 52 1,-0.2 3,-1.9 2,-0.2 4,-0.3 0.981 113.5 43.4 -64.9 -55.4 -25.0 -2.9 4.6 140 155 A Q G >4 S+ 0 0 53 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.781 102.1 72.4 -58.2 -28.4 -26.3 -3.8 8.1 141 156 A A G >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.3 -110,-0.3 0.690 79.5 74.2 -62.1 -21.5 -27.5 -0.2 8.3 142 157 A K G < S+ 0 0 156 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.769 86.3 63.3 -64.5 -26.3 -30.3 -0.9 5.8 143 158 A A G < S+ 0 0 45 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.753 80.9 110.3 -69.7 -23.0 -32.1 -2.8 8.6 144 159 A L < - 0 0 8 -3,-1.1 2,-0.3 -4,-0.3 -113,-0.3 -0.270 61.0-146.5 -55.6 128.1 -32.5 0.4 10.6 145 160 A S E -F 69 0B 73 -76,-2.2 -76,-2.1 -115,-0.1 2,-0.5 -0.749 19.0-145.2 -86.1 147.6 -35.9 1.9 11.0 146 161 A V E -F 68 0B 19 -118,-0.4 2,-0.4 -2,-0.3 -78,-0.2 -0.958 18.8-179.8-122.6 126.9 -35.7 5.7 11.1 147 162 A E E -F 67 0B 126 -80,-3.3 -80,-3.6 -2,-0.5 2,-0.2 -0.953 31.9-108.5-125.3 147.5 -38.0 8.0 13.1 148 163 A L E +F 66 0B 60 -2,-0.4 -82,-0.2 -82,-0.2 3,-0.1 -0.495 31.0 174.0 -71.4 137.8 -38.0 11.7 13.4 149 164 A E E - 0 0 64 -84,-2.3 2,-0.3 1,-0.4 -83,-0.2 0.747 69.7 -25.9-103.5 -54.7 -36.8 13.2 16.7 150 165 A I E -F 65 0B 16 -85,-1.9 -85,-2.5 4,-0.0 2,-0.5 -0.961 47.5-149.9-156.4 151.4 -36.8 16.8 15.8 151 166 A N E > -F 64 0B 16 -2,-0.3 4,-0.7 -87,-0.2 -87,-0.3 -0.974 8.1-164.0-122.6 114.2 -36.6 19.0 12.7 152 167 A F T >4 S+ 0 0 7 -89,-2.0 3,-0.8 -2,-0.5 5,-0.4 0.864 86.2 59.3 -69.8 -34.9 -35.1 22.3 13.4 153 168 A E G >4 S+ 0 0 86 -90,-1.1 3,-2.9 1,-0.2 -1,-0.2 0.959 97.8 59.6 -55.2 -52.8 -36.2 23.9 10.2 154 169 A T G 34 S+ 0 0 99 1,-0.3 -1,-0.2 -91,-0.2 -2,-0.2 0.774 90.3 70.5 -46.3 -33.7 -39.8 23.2 11.0 155 170 A R G << S- 0 0 128 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.709 93.5-145.1 -65.6 -17.2 -39.6 25.3 14.1 156 171 A G < + 0 0 69 -3,-2.9 2,-0.2 -4,-0.4 -2,-0.1 0.842 44.6 142.9 57.5 40.8 -39.3 28.4 11.9 157 172 A K - 0 0 36 -5,-0.4 -1,-0.2 -4,-0.2 5,-0.1 -0.624 51.7 -89.5-106.6 166.4 -36.9 30.3 14.0 158 173 A R S > S- 0 0 101 -2,-0.2 3,-2.3 2,-0.1 4,-0.4 -0.311 78.9 -27.9 -75.4 158.5 -34.0 32.6 13.2 159 174 A G T 3 S- 0 0 27 1,-0.3 -97,-0.3 2,-0.1 3,-0.2 -0.037 120.5 -33.0 41.3-127.9 -30.3 31.6 12.7 160 175 A Q T 3> S+ 0 0 7 1,-0.1 4,-2.2 -99,-0.1 -1,-0.3 0.033 100.2 120.5-108.9 23.3 -29.4 28.5 14.7 161 176 A D H <> S+ 0 0 8 -3,-2.3 4,-3.0 1,-0.2 5,-0.3 0.901 71.9 54.5 -51.4 -46.9 -31.9 29.3 17.6 162 177 A A H > S+ 0 0 10 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.940 109.4 45.8 -58.8 -48.2 -33.8 26.1 17.1 163 178 A M H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 117.2 43.5 -60.4 -44.4 -30.7 23.9 17.4 164 179 A Y H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.884 109.6 55.3 -73.5 -37.1 -29.3 25.6 20.5 165 180 A E H < S+ 0 0 104 -4,-3.0 4,-0.3 -5,-0.3 -1,-0.2 0.910 111.3 47.5 -58.7 -41.8 -32.7 25.9 22.3 166 181 A Y H >< S+ 0 0 13 -4,-1.9 3,-2.2 -5,-0.3 4,-0.3 0.961 109.4 51.1 -61.4 -55.5 -32.9 22.1 21.9 167 182 A M H >< S+ 0 0 12 -4,-2.4 3,-1.8 1,-0.3 4,-0.3 0.830 101.4 63.4 -52.2 -33.7 -29.4 21.5 23.1 168 183 A A G >< S+ 0 0 9 -4,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.635 85.1 75.2 -73.1 -10.7 -30.1 23.6 26.2 169 184 A Q G X S+ 0 0 104 -3,-2.2 3,-1.7 -4,-0.3 -1,-0.3 0.691 76.4 78.9 -68.2 -21.5 -32.8 21.1 27.2 170 185 A A G < S+ 0 0 65 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.854 97.7 41.8 -55.0 -36.9 -29.9 18.8 28.3 171 186 A a G < 0 0 45 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.077 360.0 360.0-104.8 26.2 -29.6 20.8 31.5 172 187 A A < 0 0 106 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.1 -0.002 360.0 360.0 62.7 360.0 -33.3 21.2 32.2 173 ! 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 0.0 174 201 A a 0 0 92 0, 0.0 2,-0.9 0, 0.0 172,-0.1 0.000 360.0 360.0 360.0 122.4 -28.5 26.1 33.0 175 202 A I + 0 0 27 167,-0.2 2,-0.4 168,-0.1 -4,-0.1 -0.832 360.0 164.2 -92.7 104.8 -28.6 29.0 30.5 176 203 A N + 0 0 87 -2,-0.9 2,-0.2 121,-0.2 -11,-0.1 -0.711 13.3 175.2-124.5 80.0 -31.9 28.6 28.8 177 204 A L - 0 0 17 -2,-0.4 2,-1.0 121,-0.1 3,-0.1 -0.554 35.9-127.7 -92.7 149.0 -32.6 31.9 27.0 178 205 A D > - 0 0 74 -2,-0.2 4,-1.9 1,-0.2 3,-0.2 -0.825 24.4-173.9 -89.4 100.4 -35.4 32.9 24.7 179 206 A W H > S+ 0 0 20 -2,-1.0 4,-3.0 1,-0.2 5,-0.2 0.694 80.4 64.5 -72.3 -20.0 -33.5 34.3 21.7 180 207 A D H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.950 106.5 42.8 -62.6 -50.1 -36.7 35.4 20.1 181 208 A V H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.918 115.0 50.3 -62.2 -45.1 -37.2 37.8 22.9 182 209 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.909 110.7 48.9 -60.8 -45.5 -33.5 38.8 22.9 183 210 A R H X S+ 0 0 13 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.933 113.8 47.0 -58.2 -45.8 -33.6 39.5 19.1 184 211 A D H X S+ 0 0 85 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 115.2 44.6 -64.7 -44.8 -36.8 41.6 19.5 185 212 A K H X S+ 0 0 74 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.880 110.7 54.3 -67.5 -39.5 -35.5 43.6 22.5 186 213 A T H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.945 110.3 47.1 -59.2 -47.1 -32.1 44.2 20.8 187 214 A K H X S+ 0 0 60 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.936 112.3 50.5 -59.8 -48.9 -33.8 45.6 17.8 188 215 A T H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 112.1 46.1 -53.4 -49.4 -36.0 47.8 19.9 189 216 A K H X S+ 0 0 11 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.887 108.0 54.4 -68.7 -41.3 -33.1 49.2 21.9 190 217 A I H X S+ 0 0 12 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.916 112.1 46.7 -57.7 -41.1 -30.8 50.0 19.0 191 218 A E H X S+ 0 0 54 -4,-1.8 4,-1.1 -5,-0.2 3,-0.5 0.971 113.1 46.6 -63.7 -53.5 -33.7 52.0 17.5 192 219 A S H X S+ 0 0 37 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.819 110.9 54.8 -59.8 -32.2 -34.5 53.9 20.7 193 220 A L H < S+ 0 0 5 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.853 102.1 56.2 -70.4 -36.0 -30.8 54.6 21.2 194 221 A K H < S+ 0 0 99 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.786 110.1 45.3 -65.1 -29.1 -30.4 56.2 17.7 195 222 A E H < S+ 0 0 167 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.638 82.2 116.1 -93.1 -16.0 -33.1 58.7 18.4 196 223 A H X - 0 0 55 -4,-0.8 4,-3.0 -3,-0.3 3,-0.5 -0.351 64.3-137.7 -58.9 123.3 -32.0 59.7 21.9 197 224 A G H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 99.8 49.9 -48.2 -60.2 -31.0 63.4 21.9 198 225 A P H > S+ 0 0 66 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.845 116.4 45.3 -52.0 -34.2 -27.8 63.1 24.1 199 226 A I H > S+ 0 0 3 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.954 108.5 52.6 -75.9 -51.5 -26.7 60.3 21.9 200 227 A K H X S+ 0 0 36 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.912 109.2 56.2 -45.3 -45.0 -27.5 61.9 18.5 201 228 A N H >< S+ 0 0 114 -4,-3.0 3,-0.7 -5,-0.3 4,-0.3 0.936 104.2 48.4 -52.5 -55.3 -25.4 64.8 20.0 202 229 A K H >< S+ 0 0 23 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.859 106.0 58.3 -61.6 -36.1 -22.3 62.7 20.6 203 230 A M H >< S+ 0 0 58 -4,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.887 100.2 58.7 -56.0 -38.7 -22.4 61.3 17.1 204 231 A S T << S+ 0 0 109 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.532 99.2 58.6 -71.3 -6.2 -22.2 64.8 15.8 205 232 A E T < S+ 0 0 76 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.232 83.5 116.4-103.7 11.6 -18.9 65.2 17.6 206 233 A S < - 0 0 23 -3,-1.8 -3,-0.0 1,-0.1 -4,-0.0 -0.661 68.8-137.2 -87.8 133.3 -17.4 62.3 15.7 207 234 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.806 29.0-159.6 -51.2 -32.6 -14.4 62.9 13.3 208 235 A N + 0 0 115 1,-0.2 2,-0.3 107,-0.1 111,-0.1 0.844 57.0 85.9 51.3 37.8 -16.4 60.6 11.0 209 236 A K S S- 0 0 54 110,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.981 97.3 -68.2-159.7 157.2 -13.1 59.8 9.1 210 237 A T + 0 0 95 -2,-0.3 2,-0.2 -3,-0.1 110,-0.2 -0.306 67.8 164.1 -52.7 113.5 -10.2 57.5 9.3 211 238 A V - 0 0 52 108,-2.6 -1,-0.0 -2,-0.2 2,-0.0 -0.680 43.0 -61.5-126.0 176.7 -8.3 58.6 12.4 212 239 A S > - 0 0 69 -2,-0.2 4,-2.7 1,-0.1 3,-0.3 -0.338 43.3-124.7 -62.0 142.5 -5.6 57.3 14.8 213 240 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 111.5 52.9 -54.4 -41.0 -6.5 54.1 16.6 214 241 A E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 111.2 44.8 -65.9 -38.0 -5.8 55.8 19.9 215 242 A K H > S+ 0 0 42 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.859 111.1 54.4 -75.1 -36.7 -8.1 58.7 19.2 216 243 A A H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.946 111.1 44.9 -58.5 -50.2 -10.8 56.3 17.9 217 244 A K H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 111.7 53.6 -58.7 -47.4 -10.7 54.3 21.1 218 245 A Q H X S+ 0 0 50 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.900 112.9 43.6 -54.3 -44.4 -10.7 57.6 23.1 219 246 A Y H X S+ 0 0 25 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.902 110.4 54.1 -69.4 -43.1 -13.8 58.7 21.3 220 247 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.849 103.0 58.0 -61.2 -33.3 -15.6 55.4 21.5 221 248 A E H X S+ 0 0 86 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.896 106.8 48.0 -65.4 -37.9 -15.1 55.3 25.3 222 249 A E H X S+ 0 0 127 -4,-1.1 4,-2.3 -3,-0.3 5,-0.2 0.891 109.6 52.4 -68.2 -41.4 -17.0 58.6 25.5 223 250 A F H X S+ 0 0 5 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.970 109.9 50.1 -54.9 -53.7 -19.8 57.3 23.3 224 251 A H H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.912 109.4 50.8 -49.3 -50.7 -20.1 54.3 25.6 225 252 A Q H < S+ 0 0 136 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.903 115.1 41.6 -59.7 -45.0 -20.3 56.4 28.7 226 253 A T H >< S+ 0 0 50 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.884 114.6 51.0 -71.0 -38.3 -23.0 58.6 27.3 227 254 A A H >< S+ 0 0 2 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.908 101.3 61.9 -65.7 -40.7 -25.0 55.7 25.8 228 255 A L T 3< S+ 0 0 19 -4,-2.7 -1,-0.2 1,-0.3 9,-0.2 0.670 91.4 69.3 -61.5 -16.6 -24.9 53.8 29.0 229 256 A E T < S+ 0 0 129 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.467 74.0 112.9 -81.0 -0.8 -26.9 56.6 30.6 230 257 A H S X S- 0 0 14 -3,-2.2 3,-2.6 1,-0.1 7,-0.2 -0.562 74.7-127.2 -78.6 135.7 -30.0 55.7 28.5 231 258 A P G > S+ 0 0 91 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.752 108.3 59.7 -51.7 -32.4 -33.0 54.4 30.5 232 259 A E G 3 S+ 0 0 61 1,-0.2 4,-0.1 2,-0.1 -43,-0.1 0.469 108.2 46.5 -79.8 -0.8 -33.3 51.3 28.3 233 260 A L G <> S+ 0 0 0 -3,-2.6 4,-2.2 -6,-0.1 -1,-0.2 0.112 78.5 113.0-118.2 18.6 -29.7 50.3 29.3 234 261 A S H <> S+ 0 0 43 -3,-1.2 4,-1.6 1,-0.2 -2,-0.1 0.841 75.1 49.3 -67.6 -38.0 -30.1 50.9 33.1 235 262 A E H > S+ 0 0 90 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.931 111.5 51.6 -65.5 -42.3 -29.7 47.3 34.2 236 263 A L H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.895 104.7 56.1 -58.3 -43.6 -26.6 47.0 32.1 237 264 A K H < S+ 0 0 83 -4,-2.2 4,-0.3 -9,-0.2 -1,-0.2 0.908 112.7 43.4 -53.8 -43.5 -25.1 50.2 33.7 238 265 A T H >< S+ 0 0 96 -4,-1.6 3,-1.5 1,-0.2 4,-0.2 0.976 114.8 44.4 -68.3 -56.3 -25.5 48.6 37.1 239 266 A V H 3< S+ 0 0 61 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.612 117.9 45.8 -71.5 -10.1 -24.2 45.1 36.4 240 267 A T T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.348 87.7 90.4-107.6 7.4 -21.2 46.4 34.4 241 268 A G S < S+ 0 0 65 -3,-1.5 -2,-0.1 -4,-0.3 -1,-0.1 0.637 93.6 31.6 -78.9 -12.6 -20.2 49.1 36.8 242 269 A T S S+ 0 0 129 -4,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.779 94.9 79.1-120.3 -38.2 -17.8 47.0 38.9 243 270 A N > - 0 0 29 -4,-0.3 3,-1.7 1,-0.1 -1,-0.1 -0.695 65.7-144.5 -85.7 124.0 -16.0 44.3 36.9 244 271 A P G > S+ 0 0 96 0, 0.0 3,-1.5 0, 0.0 6,-0.2 0.773 96.9 64.8 -59.6 -31.5 -13.1 45.6 34.8 245 272 A V G 3 S+ 0 0 51 1,-0.3 43,-0.1 4,-0.1 44,-0.1 0.813 103.2 48.1 -61.5 -29.6 -13.8 43.1 32.0 246 273 A F G < S+ 0 0 4 -3,-1.7 -1,-0.3 -7,-0.1 -3,-0.1 0.182 87.7 126.5 -97.1 15.0 -17.2 44.8 31.4 247 274 A A S X> S- 0 0 37 -3,-1.5 3,-1.6 1,-0.1 4,-1.5 -0.313 74.6-109.0 -77.6 157.9 -15.8 48.4 31.3 248 275 A G H 3> S+ 0 0 13 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.866 117.2 63.2 -47.8 -42.6 -16.3 50.9 28.5 249 276 A A H 3> S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.842 104.6 47.5 -53.8 -35.6 -12.6 50.6 27.6 250 277 A N H <> S+ 0 0 58 -3,-1.6 4,-1.9 -6,-0.2 -1,-0.2 0.816 109.5 50.3 -80.7 -33.9 -13.3 46.9 26.7 251 278 A Y H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.910 113.4 48.8 -62.0 -43.2 -16.5 47.6 24.6 252 279 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.900 109.5 50.3 -66.2 -42.2 -14.5 50.2 22.8 253 280 A A H X S+ 0 0 56 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.891 111.1 50.7 -62.0 -39.4 -11.6 47.9 22.2 254 281 A W H X S+ 0 0 5 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.935 110.9 47.4 -61.7 -48.1 -14.0 45.3 20.8 255 282 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.919 110.7 50.2 -62.6 -48.6 -15.7 47.7 18.4 256 283 A V H X S+ 0 0 7 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.907 111.7 50.6 -57.3 -41.8 -12.4 49.0 17.0 257 284 A N H X S+ 0 0 44 -4,-1.9 4,-0.8 -5,-0.2 3,-0.5 0.942 109.8 48.4 -61.3 -48.5 -11.3 45.4 16.5 258 285 A V H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.9 0.945 110.1 53.4 -56.3 -46.4 -14.6 44.5 14.7 259 286 A A H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 3,-0.2 0.801 105.8 54.4 -58.9 -30.2 -14.2 47.6 12.5 260 287 A Q H 3< S+ 0 0 92 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.636 112.0 40.6 -82.9 -13.6 -10.6 46.6 11.5 261 288 A V H << S+ 0 0 54 -3,-1.3 2,-0.7 -4,-0.8 -1,-0.2 0.483 95.0 87.0-112.8 -5.7 -11.5 43.1 10.2 262 289 A I < + 0 0 28 -4,-0.9 2,-0.2 -3,-0.2 -1,-0.1 -0.865 49.9 170.6-107.7 108.7 -14.7 43.7 8.4 263 290 A D > - 0 0 79 -2,-0.7 4,-2.7 -3,-0.0 5,-0.2 -0.448 50.6 -85.3-102.3-176.7 -14.5 44.8 4.7 264 291 A S H > S+ 0 0 97 1,-0.2 4,-1.0 2,-0.2 -1,-0.0 0.914 125.6 43.8 -57.6 -50.6 -17.2 45.1 2.2 265 292 A E H 4 S+ 0 0 113 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.872 114.5 51.1 -69.1 -33.7 -17.3 41.5 1.0 266 293 A T H >4 S+ 0 0 17 1,-0.2 3,-2.1 2,-0.2 7,-0.4 0.968 106.5 52.9 -64.4 -52.2 -17.1 40.2 4.5 267 294 A A H 3< S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.3 62,-0.2 0.740 104.0 60.3 -53.9 -24.4 -19.9 42.3 5.8 268 295 A D T 3< S+ 0 0 138 -4,-1.0 2,-0.4 -3,-0.2 -1,-0.3 0.458 100.0 58.0 -88.6 -3.0 -22.1 40.9 2.9 269 296 A N <> - 0 0 59 -3,-2.1 4,-2.4 -4,-0.2 5,-0.2 -0.993 65.4-151.9-134.0 129.2 -21.9 37.3 3.9 270 297 A L H > S+ 0 0 54 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.895 99.1 48.2 -68.5 -41.6 -23.0 35.8 7.3 271 298 A E H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 113.6 47.8 -61.4 -43.1 -20.5 32.9 7.2 272 299 A K H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.902 112.4 49.5 -67.6 -39.9 -17.6 35.2 6.2 273 300 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -7,-0.4 5,-0.3 0.914 111.6 48.3 -64.1 -42.6 -18.6 37.6 9.0 274 301 A T H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.901 108.8 53.6 -66.8 -39.8 -18.8 34.8 11.6 275 302 A A H < S+ 0 0 42 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.922 114.3 42.5 -56.8 -44.3 -15.4 33.4 10.5 276 303 A A H >< S+ 0 0 18 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.900 116.8 44.5 -73.6 -42.3 -13.9 36.9 11.0 277 304 A L H >< S+ 0 0 2 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.877 104.7 65.6 -68.1 -36.5 -15.6 37.8 14.3 278 305 A S T 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.665 98.4 52.8 -62.1 -19.4 -14.9 34.3 15.7 279 306 A I T < S+ 0 0 139 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.332 86.8 106.3-100.6 8.0 -11.1 34.9 15.7 280 307 A L < - 0 0 25 -3,-1.8 3,-0.4 -4,-0.1 2,-0.2 -0.569 64.1-130.5 -85.8 149.5 -11.2 38.1 17.7 281 308 A P S S+ 0 0 86 0, 0.0 -24,-0.1 0, 0.0 -2,-0.1 -0.527 81.2 43.8 -86.2 162.0 -10.1 38.5 21.4 282 309 A G > + 0 0 45 -2,-0.2 3,-1.1 1,-0.1 4,-0.4 0.541 60.1 130.5 85.9 9.3 -12.2 40.3 24.0 283 310 A I T >> + 0 0 36 -3,-0.4 4,-2.0 1,-0.2 3,-1.0 0.746 62.5 74.3 -67.5 -21.0 -15.7 38.9 23.2 284 311 A G H 3>>S+ 0 0 22 1,-0.3 5,-2.5 2,-0.2 4,-1.2 0.777 85.9 63.6 -62.0 -27.7 -16.2 38.1 26.9 285 312 A S H <45S+ 0 0 8 -3,-1.1 -1,-0.3 3,-0.2 -2,-0.2 0.843 108.8 39.7 -62.6 -34.0 -16.6 41.8 27.7 286 313 A V H <45S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.848 115.8 50.4 -86.4 -34.4 -19.8 41.8 25.5 287 314 A M H <5S- 0 0 1 -4,-2.0 9,-0.5 2,-0.1 -2,-0.2 0.665 106.8-123.6 -76.0 -16.2 -21.1 38.4 26.7 288 315 A G T <5 + 0 0 0 -4,-1.2 7,-2.3 1,-0.2 8,-0.9 0.903 60.9 149.2 67.9 42.6 -20.6 39.4 30.3 289 316 A I E < +J 294 0D 18 -5,-2.5 2,-0.3 5,-0.2 -1,-0.2 -0.930 8.3 132.8-117.9 117.1 -18.4 36.3 30.8 290 317 A A E > +J 293 0D 12 3,-1.7 3,-2.0 -2,-0.6 5,-0.0 -0.990 57.2 17.1-154.0 153.0 -15.6 36.3 33.3 291 318 A D T 3 S- 0 0 144 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.765 127.3 -54.6 60.2 31.3 -14.1 34.1 36.1 292 319 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 59,-0.0 -1,-0.3 0.477 116.3 103.3 83.6 3.9 -15.8 30.9 35.0 293 320 A A E < -J 290 0D 40 -3,-2.0 -3,-1.7 0, 0.0 2,-0.9 -0.925 66.3-138.6-126.1 142.9 -19.3 32.5 35.1 294 321 A V E +J 289 0D 18 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.859 26.8 175.4 -92.1 100.7 -21.9 33.8 32.6 295 322 A H + 0 0 83 -7,-2.3 2,-1.4 -2,-0.9 -1,-0.2 0.881 65.8 68.5 -74.4 -42.3 -23.1 36.9 34.4 296 323 A H + 0 0 2 -8,-0.9 -1,-0.2 -9,-0.5 -60,-0.0 -0.665 60.5 138.5 -81.6 94.1 -25.4 38.2 31.6 297 324 A N + 0 0 90 -2,-1.4 2,-0.4 -121,-0.0 -121,-0.2 -0.037 39.3 84.9-135.3 25.6 -28.0 35.5 31.9 298 325 A T S > S- 0 0 56 1,-0.1 4,-2.5 -123,-0.1 5,-0.3 -0.984 77.4-126.2-122.9 145.7 -31.3 37.3 31.5 299 326 A E H > S+ 0 0 55 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.898 110.1 55.5 -53.0 -42.9 -32.9 38.1 28.2 300 327 A E H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 111.3 41.5 -58.0 -48.0 -33.1 41.8 29.2 301 328 A I H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.860 112.5 52.7 -74.2 -34.9 -29.4 42.2 30.0 302 329 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.938 109.7 50.7 -63.4 -42.3 -28.1 40.2 27.0 303 330 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.903 108.6 51.9 -62.2 -40.9 -30.2 42.4 24.7 304 331 A Q H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.5 45.8 -63.0 -46.0 -28.9 45.6 26.3 305 332 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.891 113.9 47.5 -64.5 -44.6 -25.2 44.5 25.9 306 333 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 112.5 50.8 -62.0 -44.2 -25.6 43.4 22.3 307 334 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.904 111.5 47.1 -58.4 -42.5 -27.5 46.6 21.5 308 335 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.947 112.1 50.0 -68.1 -47.6 -24.7 48.8 23.0 309 336 A S H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.910 109.2 52.7 -51.2 -48.6 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