==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 11-APR-12 4ELN . COMPND 2 MOLECULE: TYPE III EFFECTOR XOPAI; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI; . AUTHOR J.E.WU,H.LIN,S.W.CHIU,J.Y.YANG,J.H.LIU . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 30.4 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+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 0 0 0 1 0 0 1 0 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 60 A S 0 0 163 0, 0.0 8,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 134.0 -15.4 -30.1 -43.1 2 61 A P - 0 0 67 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.310 360.0-110.0 -70.1 154.9 -15.6 -32.8 -40.4 3 62 A R > - 0 0 197 1,-0.2 3,-1.8 2,-0.1 0, 0.0 -0.377 53.8 -67.7 -77.7 162.7 -17.0 -36.3 -41.1 4 63 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.235 121.7 8.2 -49.8 136.5 -20.3 -37.4 -39.7 5 64 A L T 3 S+ 0 0 173 1,-0.2 -2,-0.1 -3,-0.1 3,-0.0 0.655 88.6 159.7 64.1 19.9 -20.2 -37.8 -35.9 6 65 A S < - 0 0 46 -3,-1.8 -1,-0.2 1,-0.2 0, 0.0 -0.553 36.3-154.9 -72.4 132.0 -16.7 -36.2 -35.6 7 66 A P S S+ 0 0 53 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.779 75.6 54.6 -71.1 -22.9 -15.9 -34.9 -32.2 8 67 A L - 0 0 30 38,-0.1 2,-0.3 37,-0.1 35,-0.1 -0.650 60.8-160.1-115.3 161.2 -13.4 -32.5 -33.8 9 68 A V - 0 0 38 33,-0.3 2,-0.3 -2,-0.2 30,-0.0 -0.839 39.2 -82.4-127.5 173.2 -13.1 -29.8 -36.3 10 69 A E - 0 0 80 -2,-0.3 2,-0.4 1,-0.0 36,-0.1 -0.561 35.0-145.8 -78.5 131.1 -10.2 -28.2 -38.2 11 70 A L - 0 0 31 -2,-0.3 2,-0.8 35,-0.1 105,-0.1 -0.817 22.8-118.6 -92.4 137.3 -8.1 -25.5 -36.6 12 71 A N + 0 0 84 -2,-0.4 7,-0.0 1,-0.1 -2,-0.0 -0.696 38.7 171.1 -75.4 114.1 -6.8 -22.9 -38.8 13 72 A T + 0 0 100 -2,-0.8 3,-0.4 102,-0.1 2,-0.3 0.341 43.3 95.4-108.1 4.1 -3.0 -23.2 -38.5 14 73 A S S S+ 0 0 75 1,-0.2 5,-0.1 2,-0.1 -2,-0.0 -0.720 88.1 8.6-100.4 151.0 -1.8 -20.8 -41.2 15 74 A D S > S+ 0 0 58 -2,-0.3 4,-2.5 3,-0.1 -1,-0.2 0.915 71.1 171.5 50.1 53.0 -0.9 -17.2 -40.8 16 75 A L H > S+ 0 0 48 -3,-0.4 4,-2.7 2,-0.2 5,-0.1 0.873 73.4 52.1 -60.1 -40.9 -1.0 -17.4 -37.0 17 76 A I H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 110.8 48.5 -61.9 -45.3 0.5 -13.9 -36.5 18 77 A K H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.908 110.4 51.3 -60.5 -43.6 -2.1 -12.4 -38.8 19 78 A Q H X S+ 0 0 37 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.928 110.3 50.3 -58.5 -44.6 -4.8 -14.3 -36.9 20 79 A K H X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.946 111.6 46.5 -58.0 -50.9 -3.4 -12.9 -33.7 21 80 A K H X S+ 0 0 111 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.880 112.6 51.1 -61.8 -38.3 -3.5 -9.3 -35.0 22 81 A Q H X S+ 0 0 82 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.938 110.8 47.3 -67.1 -45.1 -7.0 -9.8 -36.4 23 82 A L H X S+ 0 0 5 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.924 111.1 52.6 -60.5 -42.0 -8.3 -11.1 -33.1 24 83 A W H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.919 110.3 46.8 -60.8 -42.4 -6.6 -8.2 -31.2 25 84 A Q H X S+ 0 0 86 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.895 111.7 51.4 -69.3 -38.5 -8.2 -5.7 -33.5 26 85 A R H X S+ 0 0 54 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.905 107.4 53.9 -60.5 -42.1 -11.6 -7.4 -33.1 27 86 A V H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.960 112.7 43.0 -56.4 -50.5 -11.1 -7.3 -29.3 28 87 A Q H < S+ 0 0 106 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.880 118.9 43.5 -62.9 -42.3 -10.5 -3.5 -29.4 29 88 A H H < S+ 0 0 160 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.950 118.6 40.2 -72.7 -48.6 -13.4 -2.9 -31.9 30 89 A D H >< S+ 0 0 50 -4,-2.9 3,-2.5 -5,-0.2 -2,-0.2 0.784 80.2 167.6 -74.8 -29.1 -16.1 -5.1 -30.4 31 90 A G G >< S- 0 0 29 -4,-1.9 3,-1.7 -5,-0.4 -1,-0.2 -0.234 73.1 -1.3 51.6-128.6 -15.3 -4.3 -26.7 32 91 A A G 3 S+ 0 0 54 1,-0.3 -1,-0.3 96,-0.0 -2,-0.1 0.562 130.2 65.9 -71.4 -7.4 -18.1 -5.6 -24.5 33 92 A Q G < S+ 0 0 139 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.409 70.5 128.2 -91.1 -0.5 -20.0 -6.8 -27.5 34 93 A F < + 0 0 1 -3,-1.7 2,-0.3 -7,-0.2 95,-0.2 -0.386 33.2 171.8 -59.9 128.0 -17.4 -9.5 -28.3 35 94 A R - 0 0 102 -2,-0.1 2,-0.2 94,-0.0 88,-0.1 -0.999 32.1-121.3-140.4 141.2 -19.0 -12.9 -28.7 36 95 A S - 0 0 3 -2,-0.3 52,-0.1 87,-0.1 49,-0.0 -0.510 30.6-128.5 -73.1 145.6 -17.7 -16.2 -29.9 37 96 A T > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.485 25.4-105.0 -86.8 166.7 -19.4 -17.8 -32.8 38 97 A P H > S+ 0 0 79 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.901 124.4 50.4 -54.9 -42.0 -20.8 -21.3 -32.9 39 98 A E H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 107.6 51.8 -64.9 -39.1 -17.9 -22.3 -35.1 40 99 A E H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 106.1 55.9 -67.5 -31.7 -15.3 -20.7 -32.7 41 100 A R H X S+ 0 0 63 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.879 107.8 47.3 -67.1 -37.6 -16.9 -22.7 -29.9 42 101 A K H X S+ 0 0 119 -4,-1.5 4,-2.4 2,-0.2 -33,-0.3 0.846 110.0 53.8 -70.1 -34.6 -16.3 -26.0 -31.8 43 102 A Q H X S+ 0 0 42 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.895 107.5 50.8 -64.7 -40.5 -12.7 -24.8 -32.5 44 103 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 75,-0.2 5,-0.3 0.940 108.1 52.5 -61.6 -46.0 -12.2 -24.3 -28.8 45 104 A K H X S+ 0 0 58 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.949 112.3 45.0 -53.0 -51.5 -13.5 -27.8 -28.1 46 105 A T H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.876 111.3 54.2 -61.2 -38.1 -11.0 -29.2 -30.6 47 106 A A H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.917 111.2 43.7 -63.6 -44.5 -8.2 -27.0 -29.1 48 107 A L H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.943 115.9 47.7 -69.7 -44.2 -8.8 -28.3 -25.6 49 108 A I H 3< S+ 0 0 0 -4,-2.6 3,-0.3 -5,-0.3 11,-0.2 0.863 121.1 35.2 -63.4 -35.2 -9.1 -31.9 -26.6 50 109 A T H >< S+ 0 0 32 -4,-2.2 3,-2.0 -5,-0.2 -1,-0.2 0.318 80.2 115.9-105.4 10.2 -6.0 -31.9 -28.9 51 110 A L T << S+ 0 0 27 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.832 88.4 28.4 -50.9 -40.5 -3.9 -29.6 -26.9 52 111 A W T 3 S- 0 0 108 1,-0.3 4,-0.3 -3,-0.3 -1,-0.3 0.090 115.7-106.5-114.8 24.6 -1.3 -32.3 -26.1 53 112 A G X - 0 0 37 -3,-2.0 3,-1.3 1,-0.2 4,-0.4 -0.070 55.3 -43.7 81.9 179.4 -1.6 -34.6 -29.1 54 113 A E G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.818 125.2 65.5 -57.2 -39.6 -3.1 -38.0 -29.7 55 114 A Q G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.2 4,-0.3 0.842 112.0 33.1 -52.7 -38.0 -1.7 -39.6 -26.5 56 115 A Y G <> S+ 0 0 140 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.3 0.307 90.7 98.5-106.9 9.6 -3.7 -37.3 -24.3 57 116 A R H <> S+ 0 0 96 -3,-1.4 4,-3.1 -4,-0.4 5,-0.2 0.942 79.9 52.5 -63.0 -49.4 -6.9 -37.0 -26.4 58 117 A P H > S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.923 113.2 43.6 -53.9 -48.9 -8.9 -39.7 -24.6 59 118 A E H > S+ 0 0 69 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.907 116.5 47.1 -63.6 -41.8 -8.4 -38.2 -21.1 60 119 A R H X S+ 0 0 22 -4,-2.0 4,-2.9 -11,-0.2 -1,-0.2 0.870 108.8 54.7 -72.5 -32.3 -9.0 -34.7 -22.4 61 120 A Q H X S+ 0 0 35 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.929 109.5 47.7 -61.7 -46.0 -12.1 -35.8 -24.3 62 121 A Q H X S+ 0 0 83 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.903 112.6 49.4 -61.9 -38.8 -13.5 -37.2 -21.0 63 122 A R H X S+ 0 0 79 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.922 110.4 50.3 -66.9 -44.0 -12.6 -34.0 -19.2 64 123 A W H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.952 109.4 51.4 -56.4 -50.6 -14.3 -31.9 -21.9 65 124 A N H X S+ 0 0 84 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.882 109.6 49.9 -57.3 -42.3 -17.4 -34.0 -21.7 66 125 A G H X S+ 0 0 42 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 110.4 49.7 -63.7 -43.1 -17.5 -33.5 -17.9 67 126 A M H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.911 107.9 53.1 -64.3 -42.2 -17.2 -29.8 -18.1 68 127 A M H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.913 111.9 46.1 -56.9 -43.8 -19.9 -29.5 -20.7 69 128 A Q H X S+ 0 0 146 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.900 111.8 51.3 -69.6 -39.2 -22.3 -31.4 -18.4 70 129 A R H X S+ 0 0 95 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.918 112.9 45.0 -61.8 -43.7 -21.3 -29.3 -15.4 71 130 A M H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.851 107.4 57.4 -74.6 -30.8 -21.9 -26.0 -17.2 72 131 A A H X S+ 0 0 35 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.913 111.1 44.6 -60.6 -39.3 -25.2 -27.1 -18.6 73 132 A Q H >X S+ 0 0 93 -4,-1.6 4,-2.5 1,-0.2 3,-0.8 0.853 102.2 66.0 -73.9 -31.5 -26.3 -27.8 -15.1 74 133 A M H 3X S+ 0 0 15 -4,-1.8 4,-2.0 1,-0.3 7,-0.2 0.872 97.5 56.5 -54.7 -36.2 -24.9 -24.4 -14.0 75 134 A K H 3< S+ 0 0 48 -4,-1.4 -1,-0.3 1,-0.2 7,-0.2 0.828 108.4 46.1 -69.4 -31.2 -27.5 -22.8 -16.2 76 135 A W H << S+ 0 0 205 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.921 115.7 44.5 -72.8 -46.9 -30.3 -24.6 -14.3 77 136 A N H < S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.734 126.6 31.0 -71.9 -23.5 -28.9 -23.8 -10.8 78 137 A H S >< S- 0 0 56 -4,-2.0 3,-2.5 -5,-0.3 -1,-0.3 -0.741 70.4-175.7-135.9 83.5 -28.2 -20.2 -11.7 79 138 A P G > S+ 0 0 81 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.671 75.5 76.8 -64.8 -17.0 -30.8 -19.1 -14.3 80 139 A E G 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.688 96.5 52.4 -61.3 -14.5 -29.2 -15.7 -14.7 81 140 A L G X S+ 0 0 0 -3,-2.5 3,-2.5 -6,-0.2 -1,-0.3 0.394 74.5 108.3 -97.4 4.2 -26.6 -17.6 -16.8 82 141 A K T < S+ 0 0 93 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.734 78.6 51.3 -60.5 -21.4 -29.3 -19.3 -19.0 83 142 A Y T 3 S+ 0 0 153 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.2 0.478 85.7 107.1 -93.3 -4.2 -28.2 -17.2 -22.0 84 143 A M S < S- 0 0 7 -3,-2.5 2,-0.3 1,-0.1 43,-0.1 -0.478 79.4-111.0 -71.9 142.5 -24.5 -17.9 -21.8 85 144 A A > - 0 0 20 -2,-0.2 4,-1.7 1,-0.1 3,-0.4 -0.587 24.1-132.7 -68.7 134.3 -23.0 -20.2 -24.4 86 145 A T H > S+ 0 0 23 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.905 105.0 52.0 -58.3 -43.3 -22.1 -23.5 -22.6 87 146 A E H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.787 104.3 57.9 -66.7 -28.3 -18.6 -23.6 -24.2 88 147 A D H > S+ 0 0 4 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.909 107.3 47.3 -64.6 -42.1 -17.9 -20.1 -23.1 89 148 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 3,-0.4 0.902 108.3 55.4 -65.3 -40.1 -18.6 -21.2 -19.5 90 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.895 100.5 60.5 -58.6 -38.5 -16.3 -24.2 -20.0 91 150 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.882 101.2 53.5 -56.6 -40.4 -13.6 -21.7 -21.1 92 151 A L H X S+ 0 0 0 -4,-1.2 4,-0.9 -3,-0.4 -1,-0.2 0.913 111.2 44.5 -62.4 -42.9 -13.7 -20.1 -17.6 93 152 A Q H >< S+ 0 0 16 -4,-1.5 3,-0.9 1,-0.2 107,-0.4 0.924 111.4 54.4 -65.2 -42.0 -13.2 -23.4 -15.9 94 153 A A H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 5,-0.4 0.859 99.4 62.0 -63.6 -35.6 -10.5 -24.3 -18.3 95 154 A W H 3< S+ 0 0 10 -4,-2.3 5,-0.3 1,-0.3 -1,-0.3 0.857 97.2 59.6 -53.3 -36.0 -8.7 -21.1 -17.5 96 155 A T T << S+ 0 0 3 -3,-0.9 -1,-0.3 -4,-0.9 2,-0.2 0.376 98.6 72.1 -84.3 9.4 -8.4 -22.3 -13.9 97 156 A T S X S- 0 0 18 -3,-1.9 3,-2.0 -4,-0.1 4,-0.1 -0.573 107.5 -85.4-105.7-178.4 -6.4 -25.4 -15.0 98 157 A D G > S+ 0 0 139 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 0.634 116.2 81.7 -61.6 -15.5 -2.8 -25.7 -16.3 99 158 A D G > + 0 0 5 -5,-0.4 3,-1.6 1,-0.2 4,-0.5 0.652 66.0 88.2 -64.3 -12.7 -4.1 -24.9 -19.8 100 159 A Y G X> S+ 0 0 93 -3,-2.0 4,-2.4 -5,-0.3 3,-1.5 0.843 75.9 69.8 -54.5 -30.3 -4.1 -21.1 -18.8 101 160 A E G <4 S+ 0 0 83 -3,-1.4 4,-0.4 1,-0.3 -1,-0.3 0.798 93.0 53.3 -63.2 -29.7 -0.5 -21.1 -20.0 102 161 A V G <4 S+ 0 0 43 -3,-1.6 12,-0.3 -4,-0.2 -1,-0.3 0.620 121.3 28.9 -79.8 -8.9 -1.4 -21.5 -23.7 103 162 A V T X4 S+ 0 0 0 -3,-1.5 3,-1.0 -4,-0.5 4,-0.4 0.673 93.9 84.1-123.0 -23.6 -3.8 -18.6 -23.7 104 163 A Q T 3< S+ 0 0 21 -4,-2.4 63,-1.7 1,-0.3 3,-0.2 0.880 109.5 21.2 -55.3 -45.8 -2.7 -16.0 -21.1 105 164 A D T > S+ 0 0 60 -4,-0.4 3,-2.3 61,-0.2 -1,-0.3 0.260 87.5 115.3-106.4 9.0 -0.1 -14.2 -23.3 106 165 A V T < S+ 0 0 8 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.764 79.2 46.2 -62.1 -27.7 -1.4 -15.2 -26.8 107 166 A L T 3 S+ 0 0 1 58,-0.4 -1,-0.3 -4,-0.4 59,-0.1 0.436 85.0 122.4 -93.9 2.6 -2.3 -11.7 -27.8 108 167 A E S X S- 0 0 19 -3,-2.3 3,-2.5 1,-0.1 -3,-0.0 -0.340 75.9 -97.1 -63.8 140.7 1.0 -10.1 -26.6 109 168 A K T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.289 112.3 10.1 -52.7 136.4 3.1 -8.2 -29.2 110 169 A E T 3 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.435 94.3 140.8 67.4 -2.3 5.8 -10.5 -30.5 111 170 A A < - 0 0 21 -3,-2.5 -1,-0.2 -6,-0.1 -5,-0.0 -0.506 54.3-132.6 -65.7 140.3 4.1 -13.5 -28.7 112 171 A R - 0 0 119 -2,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.843 33.4-160.8 -95.6 101.0 4.3 -16.7 -30.9 113 172 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -97,-0.1 -0.440 10.6-141.9 -87.4 154.5 0.7 -17.9 -30.7 114 173 A T > - 0 0 66 -12,-0.3 4,-2.1 -2,-0.1 5,-0.2 -0.782 24.9-118.9-104.5 160.5 -0.8 -21.3 -31.4 115 174 A A H > S+ 0 0 10 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.884 117.0 56.8 -60.4 -36.9 -4.1 -22.0 -33.0 116 175 A H H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.951 106.9 47.4 -61.1 -48.3 -5.1 -23.7 -29.8 117 176 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 110.0 51.5 -60.7 -43.1 -4.4 -20.6 -27.8 118 177 A L H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.896 110.1 50.7 -63.9 -37.9 -6.3 -18.3 -30.1 119 178 A A H X S+ 0 0 5 -4,-2.2 4,-1.3 1,-0.2 -75,-0.2 0.919 110.3 48.6 -65.2 -45.0 -9.3 -20.6 -30.0 120 179 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.928 108.9 55.9 -54.6 -47.8 -9.2 -20.6 -26.2 121 180 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.903 101.1 55.0 -57.4 -46.9 -8.9 -16.8 -26.1 122 181 A K H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.897 112.0 43.8 -55.9 -42.8 -12.1 -16.2 -28.1 123 182 A C H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.900 113.1 49.9 -76.3 -36.2 -14.2 -18.2 -25.8 124 183 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.960 114.1 46.0 -63.0 -46.0 -12.7 -16.8 -22.6 125 184 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.918 112.4 50.5 -64.0 -43.6 -13.2 -13.2 -23.9 126 185 A S H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.930 111.4 49.5 -56.9 -45.9 -16.7 -14.0 -25.0 127 186 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 3,-0.5 0.912 109.2 51.1 -61.2 -44.6 -17.5 -15.4 -21.6 128 187 A L H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.6 42.3 -66.7 -33.4 -16.1 -12.5 -19.7 129 188 A H H < S+ 0 0 52 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.567 114.8 50.6 -89.4 -10.1 -18.1 -9.9 -21.7 130 189 A S H < S+ 0 0 28 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.661 81.2 105.2-103.1 -17.1 -21.4 -12.0 -21.7 131 190 A L S < S- 0 0 8 -4,-1.7 -50,-0.1 -5,-0.2 5,-0.0 -0.376 84.0 -99.5 -57.7 140.1 -21.6 -12.7 -17.9 132 191 A P > - 0 0 30 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.211 32.7-106.2 -60.2 153.1 -24.3 -10.5 -16.3 133 192 A E G > S+ 0 0 120 1,-0.3 3,-2.3 2,-0.2 -2,-0.1 0.733 113.8 75.3 -57.7 -24.7 -23.2 -7.4 -14.5 134 193 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 59,-0.0 -3,-0.0 0.690 88.8 61.2 -61.6 -15.9 -23.8 -9.0 -11.1 135 194 A Y G < S+ 0 0 11 -3,-2.7 59,-3.1 2,-0.1 2,-0.3 0.482 81.4 108.4 -85.4 -4.8 -20.6 -11.0 -11.7 136 195 A S E < -A 193 0A 16 -3,-2.3 2,-0.6 57,-0.2 57,-0.2 -0.581 65.0-140.5 -76.1 131.1 -18.6 -7.7 -11.8 137 196 A Y E -A 192 0A 57 55,-3.4 2,-0.6 -2,-0.3 55,-0.6 -0.831 12.1-165.7 -95.0 124.4 -16.4 -7.1 -8.8 138 197 A Q E + 0 0 149 -2,-0.6 2,-0.3 53,-0.1 52,-0.2 -0.937 55.2 52.7-107.5 108.9 -16.2 -3.6 -7.5 139 198 A G E S-A 189 0A 26 50,-1.5 50,-3.2 -2,-0.6 2,-0.4 -0.960 94.0 -41.7 157.9-172.0 -13.3 -3.3 -5.1 140 199 A T E -A 188 0A 44 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.715 50.2-164.9 -89.9 131.4 -9.6 -3.9 -4.8 141 200 A V E -A 187 0A 0 46,-3.1 46,-2.8 -2,-0.4 2,-0.4 -0.889 8.5-138.6-118.6 153.3 -8.1 -7.1 -6.3 142 201 A F E -AB 186 171A 41 29,-2.8 29,-1.9 -2,-0.3 2,-0.4 -0.903 18.0-178.6-122.0 131.8 -4.7 -8.6 -5.6 143 202 A T E -A 185 0A 8 42,-2.1 42,-2.2 -2,-0.4 2,-0.4 -0.972 10.7-175.7-129.6 143.9 -2.3 -10.3 -8.0 144 203 A G E +A 184 0A 17 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.996 14.7 168.7-129.3 138.6 1.1 -12.0 -7.8 145 204 A E E -A 183 0A 20 38,-2.3 38,-1.7 -2,-0.4 2,-1.0 -0.978 39.1-117.6-141.3 157.3 3.1 -13.3 -10.8 146 205 A D + 0 0 132 -2,-0.3 2,-0.3 36,-0.2 35,-0.0 -0.824 60.9 133.8 -94.1 94.1 6.5 -14.6 -11.5 147 206 A Q - 0 0 42 -2,-1.0 -2,-0.1 3,-0.0 0, 0.0 -0.969 53.2-108.6-138.5 157.8 7.9 -12.0 -14.0 148 207 A L > - 0 0 130 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.431 31.2-109.9 -83.2 158.3 11.2 -10.1 -14.3 149 208 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.875 118.6 54.0 -55.7 -40.1 11.6 -6.3 -13.6 150 209 A D H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 103.4 56.9 -63.2 -36.5 12.2 -5.6 -17.3 151 210 A W H > S+ 0 0 33 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.921 109.8 45.7 -57.8 -44.6 8.9 -7.4 -18.2 152 211 A V H >X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 3,-1.5 0.940 110.2 53.1 -61.0 -50.1 7.2 -5.0 -15.8 153 212 A S H 3< S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.847 103.9 57.0 -57.6 -38.1 9.0 -1.9 -17.2 154 213 A E H 3< S+ 0 0 156 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.751 121.5 26.2 -58.9 -26.1 7.9 -2.8 -20.8 155 214 A R H << S+ 0 0 70 -3,-1.5 2,-0.4 -4,-0.6 -2,-0.2 0.686 115.3 46.8-118.8 -24.7 4.2 -2.8 -19.7 156 215 A Y < + 0 0 7 -4,-2.5 2,-0.4 -5,-0.1 -1,-0.2 -0.989 50.6 173.1-132.0 129.7 3.5 -0.5 -16.7 157 216 A Q > - 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