==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AVIRULENCE PROTEIN 18-DEC-02 1NH1 . COMPND 2 MOLECULE: AVIRULENCE B PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; . AUTHOR C.C.LEE,M.D.WOOD,K.NG,P.LUGINBUHL,G.SPRAGGON,F.KATAGIRI . 290 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 10.0 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 . 1 0.3 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 . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 1 2 0 0 0 1 0 0 1 3 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 1 0 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 . 0 0 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 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 28 A A 0 0 134 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 126.3 13.0 48.0 68.4 2 29 A L - 0 0 22 52,-1.1 254,-0.1 49,-0.1 255,-0.1 -0.804 360.0-100.9-114.9 159.6 15.5 45.3 69.1 3 30 A P - 0 0 103 0, 0.0 253,-0.2 0, 0.0 252,-0.1 0.816 53.5-153.2 -46.5 -43.2 15.6 43.0 72.1 4 31 A G - 0 0 3 251,-3.4 251,-0.1 46,-0.1 47,-0.1 -0.192 48.5 -12.5 85.1 174.1 18.3 45.0 73.9 5 32 A P S S- 0 0 32 0, 0.0 254,-0.1 0, 0.0 250,-0.1 -0.045 81.2-108.7 -45.3 142.3 20.8 43.6 76.4 6 33 A S - 0 0 28 2,-0.2 251,-0.1 1,-0.1 252,-0.0 -0.383 11.3-131.2 -74.6 154.5 19.9 40.1 77.6 7 34 A Q S S+ 0 0 186 -2,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.915 95.2 74.8 -68.6 -41.7 18.6 39.5 81.2 8 35 A R S S- 0 0 76 1,-0.0 2,-0.2 -3,-0.0 -2,-0.2 -0.594 76.1-163.5 -74.1 120.4 21.1 36.6 81.5 9 36 A Q - 0 0 101 -2,-0.5 3,-0.1 1,-0.1 -2,-0.1 -0.601 23.2 -95.9-107.0 166.6 24.6 38.1 81.9 10 37 A L - 0 0 24 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.210 56.8 -87.3 -66.3 168.5 28.1 36.8 81.7 11 38 A E > - 0 0 140 1,-0.1 4,-2.2 4,-0.0 3,-0.3 -0.465 38.6-112.6 -73.7 154.1 29.7 35.7 84.9 12 39 A V H > S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.780 117.9 62.4 -59.1 -24.3 31.4 38.6 86.7 13 40 A Y H 4 S+ 0 0 62 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.956 107.5 40.4 -64.6 -50.8 34.7 36.8 85.9 14 41 A D H >> S+ 0 0 57 -3,-0.3 3,-2.5 1,-0.2 4,-1.2 0.842 106.6 63.8 -66.4 -35.9 34.2 37.2 82.2 15 42 A Q H 3< S+ 0 0 17 -4,-2.2 28,-0.3 1,-0.3 3,-0.3 0.851 100.5 55.1 -57.7 -30.9 32.8 40.7 82.6 16 43 A C T 3< S+ 0 0 8 -4,-1.2 -1,-0.3 -3,-0.4 23,-0.2 0.300 106.2 51.3 -86.9 11.7 36.3 41.5 83.9 17 44 A L T X4 S+ 0 0 45 -3,-2.5 3,-2.8 22,-0.2 246,-0.3 0.552 77.9 113.4-115.9 -19.2 37.8 40.2 80.8 18 45 A I T 3< S+ 0 0 1 -4,-1.2 25,-0.2 -3,-0.3 24,-0.2 -0.359 92.4 9.0 -57.4 120.6 35.7 42.1 78.3 19 46 A G T 3 S+ 0 0 15 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.514 95.9 143.4 83.7 4.6 38.1 44.5 76.6 20 47 A A < - 0 0 29 -3,-2.8 2,-0.8 243,-0.1 -1,-0.3 -0.456 51.7-134.3 -77.1 151.3 41.2 42.9 78.1 21 48 A A - 0 0 61 8,-0.1 2,-1.8 -2,-0.1 247,-0.1 -0.746 26.5-178.0-104.8 81.8 44.4 42.7 76.0 22 49 A R - 0 0 49 -2,-0.8 244,-1.8 245,-0.3 5,-0.1 -0.474 8.5-165.6 -83.4 70.1 45.4 39.0 76.7 23 50 A W - 0 0 24 -2,-1.8 244,-0.1 1,-0.1 243,-0.1 -0.294 23.6-130.1 -55.4 134.1 48.6 38.8 74.8 24 51 A P S S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 243,-0.1 0.880 103.5 42.2 -54.9 -39.2 49.7 35.1 74.4 25 52 A D S S+ 0 0 63 78,-0.2 2,-0.1 1,-0.1 79,-0.1 0.924 114.6 39.3 -71.4 -92.2 53.1 36.0 75.7 26 53 A D + 0 0 74 77,-0.2 240,-0.1 1,-0.1 -1,-0.1 -0.349 56.1 163.0 -63.9 133.4 52.8 38.4 78.6 27 54 A S + 0 0 76 -5,-0.1 3,-0.2 -2,-0.1 2,-0.2 -0.027 41.0 106.6-141.9 32.1 49.9 37.6 81.0 28 55 A S + 0 0 98 1,-0.2 3,-0.1 2,-0.0 -2,-0.1 -0.396 52.5 95.3-108.2 51.2 50.8 39.6 84.1 29 56 A K + 0 0 58 -2,-0.2 -1,-0.2 1,-0.1 -8,-0.1 -0.043 37.9 110.4-131.9 31.4 48.2 42.3 83.6 30 57 A S + 0 0 79 -3,-0.2 2,-3.7 5,-0.1 -1,-0.1 -0.050 35.7 159.0 -94.8 31.0 45.3 41.1 85.7 31 58 A N - 0 0 73 1,-0.2 4,-0.5 -3,-0.1 5,-0.4 -0.235 31.6-156.4 -57.6 71.2 45.9 44.0 88.1 32 59 A T S >>S+ 0 0 70 -2,-3.7 5,-1.1 3,-0.2 4,-0.7 0.700 80.0 67.3 -17.0 -60.0 42.4 43.7 89.4 33 60 A P H >5S+ 0 0 94 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.827 121.0 5.0 -32.5 -95.3 42.5 47.3 90.5 34 61 A E H >5S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 3,-0.9 0.984 135.5 42.9 -57.1 -75.1 42.6 49.2 87.2 35 62 A N H >5S+ 0 0 59 -4,-0.5 4,-2.4 1,-0.3 5,-0.2 0.804 114.7 46.2 -44.3 -50.7 42.3 46.5 84.6 36 63 A R H X5S+ 0 0 76 -4,-0.7 4,-2.0 -5,-0.4 -1,-0.3 0.842 116.5 48.6 -67.0 -28.5 39.5 44.4 86.0 37 64 A A H XS+ 0 0 44 -4,-2.2 5,-2.6 1,-0.2 6,-1.1 0.841 109.6 52.6 -64.0 -35.1 20.4 52.8 73.4 53 80 A I H ><5S+ 0 0 9 -4,-1.9 3,-1.2 4,-0.2 -2,-0.2 0.906 106.3 51.6 -68.1 -41.3 20.8 51.1 70.1 54 81 A S H 3<5S+ 0 0 9 -4,-2.3 -52,-1.1 1,-0.2 -1,-0.2 0.656 114.7 45.3 -69.9 -13.6 17.6 49.0 70.6 55 82 A R T 3<5S- 0 0 183 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.277 116.8-108.4-109.7 4.8 15.7 52.2 71.5 56 83 A G T < 5S+ 0 0 47 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.568 84.6 124.5 78.7 5.7 17.0 54.4 68.6 57 84 A G S S- 0 0 31 1,-0.1 4,-2.3 147,-0.1 3,-0.4 -0.988 73.2-112.0-161.5 158.1 24.8 55.5 63.5 61 88 A F H > S+ 0 0 6 -2,-0.3 4,-3.5 1,-0.3 5,-0.3 0.944 117.2 60.8 -58.2 -44.5 28.2 53.9 63.8 62 89 A E H > S+ 0 0 125 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.886 107.9 44.9 -50.1 -38.2 29.7 57.4 64.1 63 90 A E H > S+ 0 0 66 -3,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.886 111.1 50.9 -77.6 -36.8 27.5 57.9 67.2 64 91 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.947 110.0 51.2 -62.9 -43.6 28.4 54.5 68.6 65 92 A W H X S+ 0 0 23 -4,-3.5 4,-2.5 1,-0.3 -2,-0.2 0.902 108.4 53.1 -60.1 -38.7 32.0 55.3 68.1 66 93 A G H X S+ 0 0 29 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.3 0.905 109.7 47.1 -62.3 -42.1 31.5 58.6 69.9 67 94 A R H X S+ 0 0 69 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.938 112.0 50.1 -65.2 -44.8 29.9 56.8 72.8 68 95 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.872 110.4 52.4 -59.2 -38.0 32.8 54.2 72.9 69 96 A T H X S+ 0 0 15 -4,-2.5 4,-3.3 -5,-0.2 -1,-0.2 0.899 107.8 47.4 -66.7 -44.9 35.3 57.1 72.9 70 97 A E H X S+ 0 0 136 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.873 113.0 50.9 -66.5 -36.4 33.8 59.1 75.8 71 98 A W H X S+ 0 0 15 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.937 113.4 45.7 -63.4 -46.4 33.7 55.8 77.8 72 99 A R H >< S+ 0 0 46 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.918 109.2 53.6 -63.3 -44.7 37.4 55.2 76.8 73 100 A L H >< S+ 0 0 20 -4,-3.3 3,-1.0 1,-0.3 -1,-0.2 0.796 100.6 64.5 -61.6 -24.5 38.5 58.8 77.7 74 101 A S H 3< S+ 0 0 74 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.729 95.7 56.3 -72.9 -20.5 36.9 58.3 81.1 75 102 A K T << S+ 0 0 64 -3,-1.4 -1,-0.2 -4,-0.5 2,-0.2 0.526 83.3 108.3 -88.4 -6.0 39.4 55.6 82.0 76 103 A L S < S- 0 0 26 -3,-1.0 3,-0.1 -4,-0.4 4,-0.1 -0.494 79.6-107.4 -74.0 141.9 42.3 57.8 81.4 77 104 A Q > - 0 0 120 -2,-0.2 3,-1.5 1,-0.1 6,-0.1 -0.325 48.7 -90.5 -62.9 145.9 44.3 59.0 84.5 78 105 A R T 3 S+ 0 0 242 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.198 113.3 21.2 -59.2 152.9 43.7 62.7 85.2 79 106 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.632 85.9 169.8 64.0 12.6 46.1 65.0 83.5 80 107 A E X - 0 0 52 -3,-1.5 3,-0.9 1,-0.1 4,-0.2 -0.379 30.0-150.3 -61.6 126.1 46.9 62.3 81.0 81 108 A P T > S+ 0 0 110 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.825 95.0 56.1 -65.3 -37.6 49.0 63.7 78.0 82 109 A L T 3> S+ 0 0 60 1,-0.2 4,-1.9 2,-0.1 3,-0.5 0.467 77.2 105.5 -74.9 -3.4 47.7 61.3 75.5 83 110 A Y H <> S+ 0 0 115 -3,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.879 77.6 49.2 -44.4 -49.7 44.1 62.4 76.3 84 111 A S H X4 S+ 0 0 74 -3,-0.6 3,-0.6 1,-0.2 4,-0.4 0.888 107.8 53.2 -60.9 -40.9 43.8 64.4 73.1 85 112 A A H >4 S+ 0 0 15 -3,-0.5 154,-1.3 -4,-0.3 3,-0.7 0.845 106.6 53.9 -63.7 -34.9 45.0 61.5 70.9 86 113 A F H 3< S+ 0 0 19 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.718 112.6 44.0 -71.3 -20.9 42.4 59.3 72.5 87 114 A A T << S+ 0 0 47 -4,-0.9 2,-0.4 -3,-0.6 -1,-0.2 0.378 105.0 87.0-103.3 2.4 39.7 61.9 71.5 88 115 A S S < S- 0 0 34 -3,-0.7 150,-2.7 -4,-0.4 151,-0.5 -0.862 70.8-127.0-120.7 144.8 41.0 62.5 68.1 89 116 A E B -A 237 0A 86 -2,-0.4 148,-0.3 148,-0.3 -2,-0.1 -0.495 40.6-107.8 -74.7 141.9 40.7 61.1 64.6 90 117 A R - 0 0 8 146,-2.8 2,-0.3 -2,-0.2 -1,-0.1 -0.345 38.3-161.1 -68.2 149.0 43.9 60.2 62.9 91 118 A T > - 0 0 67 4,-0.1 3,-1.0 1,-0.1 102,-0.2 -0.847 33.1 -94.1-128.8 170.3 45.0 62.5 60.1 92 119 A S T 3 S+ 0 0 85 1,-0.3 2,-1.1 -2,-0.3 101,-0.2 0.921 122.9 40.3 -47.8 -57.3 47.4 62.2 57.1 93 120 A D T 3 S+ 0 0 150 100,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.447 98.1 98.3 -95.8 62.0 50.3 63.8 58.9 94 121 A T S < S- 0 0 35 -2,-1.1 99,-0.1 -3,-1.0 -4,-0.0 -0.938 91.4 -61.2-139.0 157.1 49.8 62.1 62.2 95 122 A D + 0 0 110 -2,-0.3 -4,-0.1 1,-0.1 87,-0.0 -0.086 53.6 166.9 -43.8 133.4 51.5 59.0 63.6 96 123 A A + 0 0 35 -6,-0.1 94,-3.2 96,-0.0 2,-0.4 0.214 44.9 83.7-134.7 13.0 50.9 55.9 61.4 97 124 A V E -B 189 0B 16 92,-0.2 92,-0.2 84,-0.0 86,-0.1 -0.944 47.9-165.0-129.5 143.0 53.4 53.3 62.6 98 125 A T E -B 188 0B 32 90,-2.6 90,-2.0 -2,-0.4 2,-0.2 -0.910 20.3-142.0-126.1 104.3 53.7 50.7 65.4 99 126 A P E -B 187 0B 35 0, 0.0 2,-2.0 0, 0.0 88,-0.3 -0.435 27.3-119.9 -60.8 127.3 57.2 49.3 66.0 100 127 A L + 0 0 6 86,-4.6 2,-0.2 84,-0.2 8,-0.1 -0.486 68.2 122.2 -77.2 80.3 56.7 45.6 66.8 101 128 A V > - 0 0 77 -2,-2.0 3,-3.0 1,-0.2 6,-0.1 -0.587 56.3 -8.6-122.9-175.4 58.1 45.5 70.3 102 129 A K T 3 S+ 0 0 97 1,-0.4 -1,-0.2 2,-0.3 0, 0.0 -0.321 129.1 20.1 -58.8 140.9 56.7 44.5 73.7 103 130 A P T 3 S+ 0 0 42 0, 0.0 3,-0.4 0, 0.0 -1,-0.4 -0.921 132.4 50.1 -86.2 16.9 53.8 43.8 74.3 104 131 A Y S X S+ 0 0 91 -3,-3.0 3,-2.8 1,-0.2 4,-0.5 0.428 73.6 105.6 -94.1 -1.3 53.6 43.2 70.6 105 132 A K T >> + 0 0 38 1,-0.3 3,-0.7 2,-0.2 4,-0.6 0.765 70.0 67.9 -53.1 -27.3 56.6 41.0 70.1 106 133 A S H 3> S+ 0 0 30 -3,-0.4 4,-1.2 1,-0.2 -1,-0.3 0.637 87.7 71.2 -68.1 -10.0 54.3 37.9 69.7 107 134 A V H <> S+ 0 0 1 -3,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.945 84.4 66.4 -67.4 -47.4 53.2 39.6 66.4 108 135 A L H <> S+ 0 0 44 -3,-0.7 4,-2.5 -4,-0.5 3,-0.3 0.875 100.7 48.0 -40.6 -55.4 56.6 38.9 64.8 109 136 A A H X S+ 0 0 53 -4,-0.6 4,-3.3 1,-0.2 5,-0.3 0.969 111.2 50.4 -53.0 -58.5 56.1 35.1 64.8 110 137 A R H < S+ 0 0 95 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.767 111.1 48.3 -52.6 -33.2 52.6 35.4 63.3 111 138 A V H >< S+ 0 0 0 -4,-2.1 3,-1.8 -3,-0.3 -1,-0.2 0.973 114.4 45.3 -70.7 -55.2 53.7 37.6 60.5 112 139 A V H 3< S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.860 119.0 42.0 -54.1 -42.4 56.7 35.3 59.6 113 140 A D T 3< S+ 0 0 129 -4,-3.3 2,-0.5 -5,-0.2 -1,-0.3 0.312 86.3 135.2 -88.7 8.8 54.5 32.2 59.9 114 141 A H X - 0 0 32 -3,-1.8 3,-3.8 -5,-0.3 20,-0.1 -0.468 56.9-142.8 -68.7 114.8 51.7 33.9 58.1 115 142 A E T 3 S+ 0 0 186 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.1 0.795 106.2 40.4 -38.4 -36.9 50.1 31.8 55.4 116 143 A D T 3 S+ 0 0 86 2,-0.1 20,-0.4 -5,-0.0 -1,-0.3 0.245 88.5 113.9-104.3 14.7 49.8 35.0 53.4 117 144 A A < - 0 0 18 -3,-3.8 2,-0.4 -6,-0.2 18,-0.2 -0.549 49.2-156.9 -82.7 150.7 53.1 36.7 54.2 118 145 A H E -C 134 0B 71 16,-2.3 16,-2.5 -2,-0.2 2,-0.3 -0.973 20.9-110.6-131.3 148.0 55.6 37.2 51.4 119 146 A D E +C 133 0B 119 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.587 46.8 166.9 -76.1 128.3 59.4 37.6 51.4 120 147 A E E -C 132 0B 50 12,-2.8 12,-2.6 -2,-0.3 2,-0.5 -0.871 33.9-120.7-137.2 166.3 60.3 41.1 50.4 121 148 A I E -C 131 0B 95 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.963 24.2-153.1-115.4 133.7 63.5 43.2 50.4 122 149 A M E -C 130 0B 21 8,-2.9 8,-2.3 -2,-0.5 2,-0.8 -0.885 8.0-140.5-110.3 134.1 63.5 46.4 52.4 123 150 A Q - 0 0 90 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.820 27.8-178.7 -93.2 111.0 65.7 49.4 51.6 124 151 A D > - 0 0 20 -2,-0.8 4,-1.8 4,-0.2 -2,-0.0 -0.938 32.4-146.2-119.5 132.2 66.9 51.0 54.9 125 152 A N T 4 S+ 0 0 151 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.633 103.4 30.1 -62.7 -15.9 69.1 54.1 55.4 126 153 A L T 4 S+ 0 0 39 2,-0.2 -1,-0.2 -3,-0.0 41,-0.1 0.746 132.6 25.1-113.8 -36.9 70.7 52.5 58.5 127 154 A F T 4 S- 0 0 7 1,-0.3 -2,-0.2 40,-0.0 2,-0.1 0.639 93.6-144.5-103.7 -16.8 70.6 48.7 58.0 128 155 A G < + 0 0 30 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 -0.397 61.7 3.3 81.7-164.8 70.6 48.6 54.3 129 156 A D S S- 0 0 123 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.310 73.6-172.3 -56.2 123.7 68.7 45.9 52.4 130 157 A L E -C 122 0B 0 -8,-2.3 -8,-2.9 -2,-0.1 2,-0.6 -0.950 26.5-126.4-122.8 140.7 66.8 43.7 54.8 131 158 A N E -C 121 0B 67 -2,-0.4 24,-4.2 -10,-0.2 25,-0.6 -0.732 38.8-176.3 -81.1 124.1 64.9 40.5 54.1 132 159 A V E -CD 120 154B 1 -12,-2.6 -12,-2.8 -2,-0.6 2,-0.4 -0.981 28.0-136.4-127.8 137.5 61.5 41.1 55.5 133 160 A K E -CD 119 153B 46 20,-2.7 20,-1.9 -2,-0.4 2,-0.4 -0.777 35.6-159.5 -83.9 134.3 58.5 38.8 55.8 134 161 A V E -CD 118 152B 0 -16,-2.5 -16,-2.3 -2,-0.4 2,-0.6 -0.957 24.1-173.9-132.4 125.3 55.5 40.9 54.7 135 162 A Y E - 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0 0 31 -4,-0.8 4,-1.9 -5,-0.4 3,-0.3 0.393 31.1 -86.7 81.4 138.2 73.8 57.0 70.5 173 200 A A H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.820 120.7 55.3 -43.7 -50.5 70.5 55.6 71.9 174 201 A K H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 110.7 43.3 -54.3 -55.5 68.3 58.7 71.5 175 202 A A H > S+ 0 0 53 -4,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.974 115.7 48.5 -55.1 -58.1 69.0 59.1 67.8 176 203 A L H X S+ 0 0 9 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.859 112.2 48.9 -50.1 -45.0 68.6 55.4 67.1 177 204 A K H X S+ 0 0 60 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.913 108.3 53.5 -64.9 -42.9 65.3 55.2 69.0 178 205 A Q H >X S+ 0 0 70 -4,-2.6 4,-0.8 -5,-0.2 3,-0.5 0.940 112.8 45.4 -57.0 -44.8 63.9 58.2 67.3 179 206 A H H >X S+ 0 0 35 -4,-2.5 4,-3.3 1,-0.2 3,-1.1 0.936 110.8 50.9 -64.7 -46.7 64.7 56.4 64.0 180 207 A L H 3X S+ 0 0 26 -4,-2.9 4,-1.1 1,-0.3 -1,-0.2 0.650 93.6 76.3 -67.1 -13.4 63.3 53.1 65.1 181 208 A Q H << S+ 0 0 57 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.920 118.3 13.1 -62.5 -41.1 60.1 54.9 66.2 182 209 A R H << S+ 0 0 151 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.811 138.1 37.1-101.4 -39.5 59.2 55.1 62.5 183 210 A Y H < + 0 0 88 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.104 66.3 147.3-107.3 23.8 61.6 52.7 60.7 184 211 A N < - 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0 0 9 -2,-0.9 4,-2.6 1,-0.2 3,-1.0 -0.809 19.3-147.8 -93.7 99.3 44.0 40.1 71.0 269 296 A S H 3> S+ 0 0 6 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.792 89.8 46.2 -32.9 -61.3 41.0 41.1 68.8 270 297 A D H 3> S+ 0 0 35 2,-0.2 4,-3.3 1,-0.2 -1,-0.3 0.863 114.4 48.4 -61.1 -36.2 42.4 44.0 66.8 271 298 A I H <> S+ 0 0 14 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.937 111.6 50.2 -68.9 -43.9 45.7 42.2 66.1 272 299 A E H < S+ 0 0 7 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.910 114.1 46.6 -58.5 -39.1 43.7 39.1 65.0 273 300 A A H >< S+ 0 0 0 -4,-2.8 3,-1.6 -5,-0.3 -2,-0.2 0.954 111.3 49.6 -68.0 -49.0 41.7 41.5 62.8 274 301 A M H 3< S+ 0 0 4 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 109.2 53.6 -59.3 -33.1 44.7 43.2 61.4 275 302 A L T 3< S+ 0 0 4 -4,-2.6 -1,-0.3 -5,-0.2 2,-0.2 0.546 107.7 62.7 -81.1 -4.0 46.4 39.9 60.6 276 303 A S S < S- 0 0 0 -3,-1.6 2,-0.3 -4,-0.4 -138,-0.1 -0.710 78.8-110.9-123.8 173.7 43.4 38.6 58.6 277 304 A G > - 0 0 18 -2,-0.2 4,-3.1 -140,-0.1 5,-0.2 -0.657 41.6-111.2 -91.0 151.4 41.2 39.1 55.6 278 305 A E H > S+ 0 0 20 -140,-0.4 4,-2.8 -2,-0.3 5,-0.2 0.886 116.8 45.8 -53.4 -47.5 37.7 40.2 56.3 279 306 A E H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 114.0 50.2 -66.5 -36.8 36.0 36.9 55.2 280 307 A E H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.939 111.6 48.8 -63.0 -48.0 38.6 34.9 57.2 281 308 A F H X S+ 0 0 0 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.927 109.8 50.5 -57.7 -48.2 37.9 37.1 60.2 282 309 A V H >< S+ 0 0 22 -4,-2.8 3,-0.8 1,-0.2 4,-0.5 0.960 112.5 48.2 -57.1 -47.9 34.2 36.7 59.9 283 310 A E H 3< S+ 0 0 164 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.873 118.6 38.6 -60.5 -38.9 34.7 32.9 59.7 284 311 A K H 3X S+ 0 0 57 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.468 88.4 99.7 -93.5 1.2 37.0 32.8 62.7 285 312 A Y T X< S+ 0 0 1 -4,-1.4 3,-1.5 -3,-0.8 4,-0.4 0.931 82.9 44.9 -52.1 -57.4 35.2 35.3 64.8 286 313 A R G >4 S+ 0 0 127 -4,-0.5 3,-2.0 1,-0.3 -1,-0.2 0.899 110.1 55.2 -54.6 -44.4 33.3 32.9 67.0 287 314 A S G 34 S+ 0 0 77 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.631 98.7 63.1 -66.1 -13.3 36.3 30.7 67.6 288 315 A L G << S+ 0 0 6 -3,-1.5 -24,-2.8 -4,-0.9 -1,-0.3 0.598 97.0 89.4 -84.3 -10.2 38.2 33.8 68.8 289 316 A L B < F 263 0C 10 -3,-2.0 -26,-0.2 -4,-0.4 -3,-0.0 -0.343 360.0 360.0 -93.8 167.9 35.7 34.0 71.7 290 317 A D 0 0 105 -28,-1.8 -27,-0.2 -29,-0.2 -1,-0.2 0.640 360.0 360.0 44.9 360.0 35.1 32.8 75.3