==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 20-MAR-07 2P7N . COMPND 2 MOLECULE: PATHOGENICITY ISLAND 1 EFFECTOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR J.BENACH,M.ABASHIDZE,J.SEETHARAMAN,L.ZHAO,H.JANJUA, . 335 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 77.6 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 . 10 3.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 11 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 0 0 0 0 0 1 0 2 0 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 2 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 47 A P > 0 0 104 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-104.3 7.0 23.0 107.0 2 48 A A T 3> + 0 0 50 1,-0.3 4,-0.9 2,-0.2 79,-0.2 0.147 360.0 104.4 -73.3 23.6 8.8 24.6 104.1 3 49 A L H 3> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.860 74.8 56.3 -70.5 -34.6 7.9 21.5 102.3 4 50 A A H <> S+ 0 0 49 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.885 102.8 53.3 -63.2 -41.4 5.3 23.5 100.5 5 51 A A H > S+ 0 0 42 -4,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.796 113.9 44.1 -64.7 -28.6 7.9 26.0 99.3 6 52 A A H X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.2 -2,-0.2 0.868 112.4 50.1 -83.0 -40.5 9.8 23.1 97.8 7 53 A R H X S+ 0 0 82 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.809 108.7 54.3 -68.0 -30.5 6.8 21.3 96.3 8 54 A A H >X S+ 0 0 41 -4,-2.2 4,-1.9 2,-0.2 3,-0.5 0.977 112.1 41.1 -67.2 -56.0 5.7 24.6 94.6 9 55 A K H 3X S+ 0 0 54 -4,-1.2 4,-3.3 1,-0.2 5,-0.3 0.863 105.3 67.9 -59.7 -36.5 9.0 25.2 92.9 10 56 A A H 3X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.917 106.2 40.1 -48.9 -48.1 9.2 21.5 92.1 11 57 A D H X S+ 0 0 0 -4,-2.6 4,-2.5 43,-0.3 3,-0.6 0.962 113.0 50.8 -50.5 -54.4 12.2 24.5 77.1 21 67 A R H 3X S+ 0 0 63 -4,-3.3 4,-3.4 1,-0.3 3,-0.5 0.944 111.4 45.2 -45.6 -62.3 12.1 21.0 75.9 22 68 A A H 3X S+ 0 0 25 -4,-2.7 4,-1.0 1,-0.2 -1,-0.3 0.768 111.0 57.4 -55.3 -27.0 9.1 21.6 73.6 23 69 A S H X S+ 0 0 0 -4,-3.3 4,-2.1 -5,-0.2 3,-2.0 0.964 110.0 49.6 -56.7 -52.6 16.3 23.3 55.2 36 82 A A H 3X S+ 0 0 47 -4,-1.7 4,-2.0 1,-0.3 5,-0.3 0.923 110.7 48.1 -51.5 -52.8 14.3 20.9 53.0 37 83 A Q H 3< S+ 0 0 123 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.349 113.2 50.8 -74.3 8.1 12.3 23.7 51.4 38 84 A R H <> S+ 0 0 10 -3,-2.0 4,-1.3 -4,-0.1 -1,-0.2 0.671 110.2 45.5-110.9 -34.0 15.5 25.6 50.8 39 85 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -3,-0.3 3,-0.5 0.970 114.2 47.7 -71.9 -58.0 17.5 22.9 49.1 40 86 A A H X S+ 0 0 37 -4,-2.0 4,-2.7 1,-0.3 6,-0.2 0.912 113.1 50.3 -47.8 -48.4 14.7 21.8 46.8 41 87 A A H 4 S+ 0 0 4 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.849 107.4 55.3 -60.3 -36.6 14.2 25.5 46.0 42 88 A A H < S+ 0 0 2 -4,-1.3 3,-0.3 -3,-0.5 -2,-0.2 0.943 120.6 26.8 -63.5 -50.3 17.9 25.9 45.2 43 89 A F H < S+ 0 0 17 -4,-2.2 2,-2.3 1,-0.2 -2,-0.2 0.954 114.2 61.7 -77.1 -54.3 18.1 23.0 42.7 44 90 A S S < S- 0 0 87 -4,-2.7 2,-8.3 -5,-0.3 3,-0.2 -0.318 89.5-138.4 -77.5 51.2 14.6 23.0 41.4 45 91 A G S S+ 0 0 79 -2,-2.3 -1,-0.2 -3,-0.3 -4,-0.1 0.025 72.5 105.8 27.4 2.1 14.6 26.5 40.0 46 92 A G + 0 0 56 -2,-8.3 -1,-0.2 -6,-0.2 -5,-0.1 0.630 68.3 8.7 -93.2 -80.5 11.4 26.6 41.3 47 93 A E S S- 0 0 103 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.550 85.8-106.5 -84.9 169.4 9.9 28.2 44.1 48 94 A P 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.395 360.0 360.0 -87.0 168.5 12.5 30.6 45.8 49 95 A P 0 0 48 0, 0.0 -11,-0.1 0, 0.0 -12,-0.0 -0.703 360.0 360.0 -77.8 360.0 14.2 29.8 49.1 50 ! 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 51 97 A A 0 0 86 0, 0.0 119,-0.0 0, 0.0 -13,-0.0 0.000 360.0 360.0 360.0 162.2 13.5 32.0 54.5 52 98 A R + 0 0 59 1,-0.0 2,-0.4 -21,-0.0 -21,-0.0 0.008 360.0 157.9 -73.3 122.8 13.4 31.9 58.2 53 99 A R - 0 0 207 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.981 26.8-148.2-130.5 121.4 10.9 33.1 60.6 54 100 A E - 0 0 83 -2,-0.4 4,-0.1 2,-0.0 -27,-0.0 -0.576 7.6-161.8 -88.9 143.6 10.8 31.6 64.1 55 101 A A - 0 0 61 -2,-0.2 2,-1.9 2,-0.2 -25,-0.0 -0.601 58.0 -62.6-108.3 178.5 7.8 31.1 66.3 56 102 A P S S+ 0 0 107 0, 0.0 -29,-0.1 0, 0.0 -30,-0.1 0.263 117.9 94.0 -49.5 13.3 7.7 30.5 70.1 57 103 A G + 0 0 9 -2,-1.9 2,-0.7 -31,-0.1 -2,-0.2 -0.528 52.4 124.9 -93.6 50.0 9.6 27.5 69.2 58 104 A A > - 0 0 35 1,-0.2 3,-0.5 -4,-0.1 5,-0.4 -0.874 52.7-155.2-110.2 99.4 12.7 29.8 69.9 59 105 A E T 3 >S+ 0 0 7 -2,-0.7 5,-0.9 -36,-0.4 4,-0.2 0.833 79.0 44.1 -41.6 -58.5 14.6 27.7 72.5 60 106 A L T 3>5S+ 0 0 115 3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.834 96.5 79.5 -60.8 -37.8 16.6 30.2 74.4 61 107 A D T <45S- 0 0 117 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.521 110.8 -17.6 -50.2 -77.1 14.1 33.0 75.0 62 108 A E T >5S+ 0 0 160 -4,-0.3 4,-0.7 -3,-0.2 -1,-0.2 0.167 133.8 65.2-108.2 -8.2 11.4 33.2 77.6 63 109 A A H >>5S+ 0 0 4 -5,-0.4 4,-1.0 -4,-0.2 3,-0.9 0.990 92.0 47.7 -77.9 -63.3 11.9 29.5 77.8 64 110 A R H 3X S+ 0 0 103 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.804 93.6 52.4-107.8 -40.5 14.9 31.1 81.9 66 112 A A H X S+ 0 0 75 -4,-2.0 4,-3.4 1,-0.2 3,-0.7 0.941 112.5 51.7 -49.0 -57.4 15.2 28.0 94.1 74 120 A F H 3X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.887 108.3 51.6 -48.2 -47.9 14.1 24.4 94.2 75 121 A E H 3X S+ 0 0 41 -4,-2.2 4,-0.5 1,-0.2 -1,-0.3 0.849 113.9 45.1 -60.3 -35.0 17.7 23.3 94.9 76 122 A G H XX S+ 0 0 37 -4,-1.9 3,-1.6 -3,-0.7 4,-1.0 0.938 108.1 55.1 -73.8 -48.2 17.8 25.8 97.7 77 123 A N H >X S+ 0 0 41 -4,-3.4 4,-2.3 1,-0.3 3,-0.8 0.863 103.8 56.7 -52.1 -38.1 14.4 24.9 99.2 78 124 A L H 3X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.3 -1,-0.3 0.784 101.3 56.4 -65.7 -25.7 15.7 21.3 99.4 79 125 A K H > - 0 0 66 1,-0.2 4,-1.6 2,-0.1 3,-1.5 -0.162 28.4-113.2 -43.3 149.6 8.6 7.2 107.8 90 136 A A H 3> S+ 0 0 50 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.647 118.1 64.1 -65.3 -14.2 10.7 4.2 106.7 91 137 A E H 34 S+ 0 0 136 2,-0.2 4,-0.3 1,-0.1 -1,-0.3 0.653 101.5 48.9 -81.5 -18.1 7.8 3.5 104.3 92 138 A Q H X> S+ 0 0 21 -3,-1.5 4,-2.8 2,-0.2 3,-1.7 0.908 104.0 55.6 -85.4 -50.8 8.5 6.8 102.5 93 139 A K H 3X S+ 0 0 38 -4,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.849 106.2 55.4 -49.6 -35.4 12.3 6.4 102.0 94 140 A Q H 3X S+ 0 0 98 -4,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.808 108.7 47.4 -68.0 -29.3 11.3 3.1 100.3 95 141 A A H <> S+ 0 0 45 -3,-1.7 4,-3.6 -4,-0.3 -2,-0.2 0.912 110.8 48.7 -77.0 -45.9 9.1 5.2 98.0 96 142 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.886 115.3 47.5 -59.1 -37.1 11.8 7.7 97.3 97 143 A Q H X S+ 0 0 45 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.815 112.0 48.8 -72.3 -33.0 14.0 4.7 96.6 98 144 A S H X S+ 0 0 57 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.899 112.5 49.2 -72.8 -40.7 11.4 3.1 94.4 99 145 A G H X S+ 0 0 11 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.870 107.9 52.9 -66.1 -39.1 11.0 6.4 92.5 100 146 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.873 107.1 53.8 -65.4 -36.7 14.7 6.8 92.0 101 147 A D H X S+ 0 0 68 -4,-1.4 4,-1.0 2,-0.2 3,-0.5 0.989 107.2 47.8 -60.7 -61.7 14.9 3.3 90.5 102 148 A D H >< S+ 0 0 131 -4,-1.8 3,-0.6 1,-0.2 4,-0.4 0.869 111.5 54.9 -46.1 -42.1 12.2 3.8 87.9 103 149 A V H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.919 123.9 21.4 -59.7 -47.4 13.9 7.1 87.0 104 150 A F H 3< S+ 0 0 7 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.109 97.2 108.9-111.0 23.4 17.4 5.6 86.3 105 151 A A S << S+ 0 0 45 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.991 91.3 8.1 -66.7 -72.2 16.4 2.0 85.7 106 152 A D S S+ 0 0 167 -4,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 0.110 99.9 127.5-100.4 23.1 16.8 1.2 82.0 107 153 A A - 0 0 23 1,-0.1 5,-0.2 -3,-0.1 4,-0.0 -0.487 63.3 -90.6 -88.6 150.8 18.5 4.4 81.2 108 154 A P > - 0 0 61 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.387 40.4 -95.9 -49.5-174.7 21.8 4.6 79.4 109 155 A P H > S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.959 117.4 51.5 -73.0 -56.4 25.3 4.8 80.9 110 156 A Q H 4 S+ 0 0 33 1,-0.2 4,-0.3 2,-0.2 122,-0.0 0.571 112.5 53.8 -60.8 -5.5 26.2 8.5 81.1 111 157 A A H >> S+ 0 0 0 2,-0.2 4,-1.6 -3,-0.1 3,-0.6 0.855 103.1 50.7 -93.8 -46.2 22.8 8.8 82.9 112 158 A R H 3< S+ 0 0 152 -4,-1.3 4,-0.5 1,-0.3 -2,-0.2 0.846 106.9 57.8 -59.5 -33.8 23.3 6.2 85.6 113 159 A S T 3< S+ 0 0 74 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.841 108.5 45.7 -64.8 -33.1 26.6 7.9 86.4 114 160 A A T <4 S+ 0 0 18 -3,-0.6 4,-0.3 -4,-0.3 -1,-0.2 0.725 118.9 41.4 -81.5 -24.1 24.6 11.1 87.0 115 161 A G S X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.1 -2,-0.2 0.266 92.2 90.6-106.4 10.9 22.0 9.3 89.1 116 162 A A H > S+ 0 0 48 -4,-0.5 4,-2.1 -3,-0.3 5,-0.2 0.986 84.9 45.9 -69.8 -61.0 24.5 7.1 91.0 117 163 A P H > S+ 0 0 41 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.887 116.4 46.4 -51.2 -43.3 25.2 9.3 94.0 118 164 A X H > S+ 0 0 1 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.913 112.0 51.0 -66.9 -39.8 21.5 10.1 94.5 119 165 A L H X S+ 0 0 46 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.775 107.4 54.9 -67.2 -26.1 20.7 6.4 94.1 120 166 A Y H X S+ 0 0 148 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.881 107.0 48.8 -72.5 -40.2 23.4 5.6 96.7 121 167 A S H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.2 5,-0.4 0.864 107.9 58.1 -66.3 -36.1 21.7 8.0 99.2 122 168 A A H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.976 111.0 37.6 -58.3 -60.8 18.4 6.3 98.5 123 169 A N H X S+ 0 0 73 -4,-1.8 4,-1.6 1,-0.2 5,-0.4 0.803 114.4 63.9 -61.6 -27.9 19.5 2.7 99.4 124 170 A A H X>S+ 0 0 5 -4,-1.6 5,-2.6 1,-0.2 4,-1.7 0.980 115.1 22.7 -60.5 -64.5 21.5 4.4 102.2 125 171 A A H <5S+ 0 0 9 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.644 118.7 67.6 -80.1 -14.1 18.7 5.9 104.3 126 172 A A H <5S- 0 0 9 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.840 128.7 -11.6 -75.5 -34.9 16.2 3.5 102.9 127 173 A G H <5S+ 0 0 74 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.383 133.2 48.7-149.0 6.0 17.6 0.3 104.5 128 174 A Q T <5S- 0 0 169 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.713 105.3 -91.2-118.4 -39.2 21.0 0.9 106.0 129 175 A G < + 0 0 71 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.615 52.0 159.9 120.4 83.2 20.8 4.1 108.1 130 176 A X - 0 0 36 -9,-0.1 -1,-0.1 -5,-0.1 5,-0.1 -0.999 45.7-107.4-131.1 129.0 21.6 7.6 106.9 131 177 A A >> - 0 0 55 -2,-0.4 4,-1.5 1,-0.1 3,-0.5 -0.321 24.9-129.9 -57.7 130.9 20.4 10.7 108.7 132 178 A D H >> S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 3,-0.7 0.899 107.2 58.1 -46.9 -52.2 17.5 12.4 106.8 133 179 A S H 3> S+ 0 0 53 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.915 107.4 48.2 -45.9 -48.5 19.2 15.8 106.9 134 180 A D H <> S+ 0 0 94 -3,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.835 111.2 52.7 -61.4 -33.7 22.2 14.2 105.2 135 181 A L H S+ 0 0 99 -4,-1.8 4,-3.6 1,-0.2 5,-0.6 0.876 114.1 50.0 -62.9 -36.7 24.7 18.6 89.4 146 192 A I H X>S+ 0 0 2 -4,-4.2 5,-2.4 2,-0.2 4,-0.6 0.877 113.6 45.6 -68.9 -37.0 22.2 16.5 87.4 147 193 A K H <>S+ 0 0 18 -4,-1.9 5,-1.0 -5,-0.4 -2,-0.2 0.871 122.8 37.2 -72.4 -35.7 20.8 19.6 85.8 148 194 A D H <5S+ 0 0 104 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.916 125.5 32.8 -82.8 -48.6 24.3 21.0 85.1 149 195 A N H <5S+ 0 0 107 -4,-3.6 4,-0.5 -5,-0.2 -3,-0.2 0.991 134.2 18.8 -78.5 -45.1 26.3 18.0 84.2 150 196 A Y T X S+ 0 0 12 -4,-0.5 4,-3.2 1,-0.2 -2,-0.2 0.975 110.5 41.2 -57.9 -56.7 25.2 19.0 78.7 154 200 A Y H X S+ 0 0 4 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.887 112.1 54.8 -60.1 -42.4 22.6 18.0 76.2 155 201 A E H X S+ 0 0 16 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.906 114.3 41.4 -59.6 -40.3 20.9 21.4 76.2 156 202 A N H X S+ 0 0 32 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.940 112.3 55.1 -71.1 -47.1 24.2 23.0 75.3 157 203 A V H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.925 113.5 40.7 -49.3 -53.5 25.1 20.2 72.8 158 204 A V H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.895 115.0 51.5 -65.2 -42.1 21.8 20.7 70.9 159 205 A G H X S+ 0 0 14 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.956 114.0 44.0 -59.6 -49.6 22.0 24.5 71.1 160 206 A Q H X S+ 0 0 30 -4,-3.6 4,-1.1 1,-0.2 -2,-0.2 0.865 115.8 48.0 -62.6 -38.3 25.6 24.5 69.8 161 207 A Y H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.861 106.9 56.3 -72.7 -35.0 24.7 22.0 67.1 162 208 A T H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.777 102.7 55.2 -67.5 -28.3 21.6 23.9 66.0 163 209 A D H X S+ 0 0 72 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.875 110.1 47.0 -71.2 -35.9 23.6 27.0 65.3 164 210 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2,-0.2 -1,-0.2 0.932 115.7 41.5 -70.2 -46.3 29.3 27.0 46.9 188 242 A K H X S+ 0 0 74 -4,-1.5 4,-1.1 -5,-0.3 -2,-0.2 0.728 113.2 56.5 -72.8 -21.6 32.7 25.5 47.8 189 243 A A H X S+ 0 0 49 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.878 107.6 46.8 -76.2 -39.7 33.7 28.8 49.4 190 244 A A H >X S+ 0 0 16 -4,-1.9 4,-2.1 2,-0.2 3,-1.3 0.979 109.2 51.6 -65.5 -57.9 30.7 28.8 51.7 191 245 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.867 108.8 54.4 -46.3 -40.2 31.0 25.2 52.9 192 246 A E H 3X S+ 0 0 101 -4,-1.1 4,-2.4 1,-0.2 -1,-0.3 0.855 106.7 51.1 -63.3 -35.4 34.6 26.1 53.7 193 247 A K H < S+ 0 0 121 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.924 112.7 53.8 -63.7 -46.8 36.1 27.1 59.6 197 251 A D H 3< S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.745 116.4 38.9 -61.5 -25.3 33.4 28.8 61.7 198 252 A F T 3< S+ 0 0 11 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.3 -0.219 104.3 75.2-122.2 44.6 32.5 25.6 63.5 199 253 A S S < S- 0 0 23 -3,-1.2 9,-0.1 61,-0.1 7,-0.1 -0.981 91.0 -96.7-151.0 138.3 35.9 24.0 64.0 200 254 A L - 0 0 17 -2,-0.3 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50,-0.2 50,-0.2 5,-0.2 -0.788 32.5 170.0 -97.0 117.6 32.4 22.9 71.1 211 265 A L E + 0 0 0 48,-4.6 49,-0.2 -2,-0.6 -1,-0.2 0.739 65.3 66.5 -88.4 -28.7 29.6 20.4 71.9 212 266 A F E S+A 259 0A 20 47,-1.2 47,-2.4 1,-0.2 -1,-0.3 -0.965 92.6 17.1-155.9 136.3 31.1 19.7 75.3 213 267 A P S S- 0 0 26 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.623 92.2 -97.3 -90.6-179.9 31.5 21.1 77.8 214 268 A A - 0 0 61 -2,-0.1 2,-0.3 1,-0.1 -3,-0.1 -0.212 46.8-138.1 -50.3 141.3 29.3 24.2 77.9 215 269 A Q - 0 0 30 -5,-0.2 6,-0.1 1,-0.1 -1,-0.1 -0.812 7.1-115.7-110.5 149.4 31.4 27.2 76.9 216 270 A S - 0 0 66 4,-0.4 -1,-0.1 -2,-0.3 6,-0.1 -0.028 22.7-129.2 -64.2 179.7 31.6 30.7 78.3 217 271 A K S S+ 0 0 176 -10,-0.0 -1,-0.1 0, 0.0 -10,-0.1 0.825 99.4 7.1-100.0 -47.6 30.5 33.6 76.1 218 272 A D S S+ 0 0 146 2,-0.1 2,-0.1 0, 0.0 -2,-0.0 0.323 113.3 95.9-115.5 2.2 33.4 35.9 76.3 219 273 A G S S- 0 0 27 1,-0.2 3,-0.1 3,-0.0 -4,-0.0 -0.318 81.3 -84.8 -88.4 175.0 35.8 33.6 78.2 220 274 A G - 0 0 58 1,-0.1 -4,-0.4 -2,-0.1 -1,-0.2 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60.1 -68.4 -47.0 35.4 10.4 75.1 231 285 A K H X S+ 0 0 103 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.905 113.9 37.0 -46.9 -48.6 32.6 9.3 77.5 232 286 A W H X S+ 0 0 16 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.911 109.7 59.0 -73.8 -45.2 30.3 11.9 76.0 233 287 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 -2,-0.2 0.917 110.5 47.1 -49.0 -45.1 31.4 11.7 72.4 234 288 A K H ><5S+ 0 0 152 -4,-2.7 3,-2.5 3,-0.2 -2,-0.2 0.983 108.1 52.0 -59.8 -63.2 30.4 8.0 72.6 235 289 A E H 3<5S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 112.1 45.8 -46.7 -40.2 27.0 8.5 74.2 236 290 A X T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.151 117.2-109.8 -95.2 22.0 25.8 11.0 71.6 237 291 A G T < 5 + 0 0 59 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.749 64.1 147.2 61.8 33.8 27.0 9.0 68.7 238 292 A L < - 0 0 15 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.787 53.5 -98.9-102.8 145.4 30.0 11.0 67.4 239 293 A P - 0 0 43 0, 0.0 9,-3.6 0, 0.0 10,-0.4 -0.345 30.9-178.1 -62.3 133.1 33.1 9.6 65.8 240 294 A D + 0 0 41 7,-0.3 7,-0.2 8,-0.2 -6,-0.0 0.460 26.2 153.9-107.3 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251 305 A K E -C 257 0A 110 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.617 31.5-153.1 -85.0 141.0 42.5 19.1 72.4 252 306 A A > - 0 0 4 4,-1.9 3,-1.8 -2,-0.3 -47,-0.2 -0.460 41.2 -87.8-105.9 179.1 42.0 22.9 73.0 253 307 A A T 3 S+ 0 0 68 -49,-1.6 -48,-0.1 1,-0.3 -49,-0.1 0.384 126.7 70.4 -67.4 8.6 44.4 25.8 73.8 254 308 A D T 3 S- 0 0 60 2,-0.2 -1,-0.3 -50,-0.2 3,-0.1 0.774 106.1-127.3 -90.7 -37.6 43.5 24.5 77.3 255 309 A G S < S+ 0 0 30 -3,-1.8 -2,-0.1 1,-0.5 -31,-0.0 -0.047 83.2 103.3 104.0 -23.2 45.5 21.3 76.9 256 310 A N S S- 0 0 68 -33,-0.1 -4,-1.9 -5,-0.1 -1,-0.5 0.022 76.2 -91.9 -77.8-171.8 42.2 19.8 78.0 257 311 A W E -BC 224 251A 51 -33,-3.0 -33,-2.9 -6,-0.2 2,-0.3 -0.877 32.2-179.3-119.6 143.0 39.5 18.1 75.9 258 312 A V E - C 0 250A 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.6 -0.908 28.0-124.9-131.6 156.4 36.4 19.1 74.0 259 313 A V E -AC 212 249A 0 -47,-2.4 -48,-4.6 -2,-0.3 -47,-1.2 -0.918 37.7-156.6-104.4 117.1 33.7 17.4 71.9 260 314 A V E -A 210 0A 2 -12,-3.6 -50,-0.2 -2,-0.6 2,-0.1 -0.520 23.6 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