==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 17-JUL-13 4LQ8 . COMPND 2 MOLECULE: SCA-FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RICKETTSIA RICKETTSII; . AUTHOR J.H.LEE,C.VONRHEIN,G.BRICOGNE,T.IZARD . 598 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 129 21.6 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 . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 36 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 1 0 2 2 0 0 0 2 0 0 0 4 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 2 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 10 0 4 4 4 1 1 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 2 2 2 2 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 49 A E 0 0 139 0, 0.0 209,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 125.5 11.3 76.8 9.4 2 50 A A - 0 0 1 207,-2.1 2,-0.3 1,-0.0 206,-0.1 -0.288 360.0-158.6 -71.3 160.1 12.4 73.6 11.3 3 51 A D - 0 0 70 208,-0.1 2,-0.2 205,-0.0 -1,-0.0 -0.906 24.4 -94.1-137.6 166.0 10.0 71.7 13.6 4 52 A D - 0 0 3 -2,-0.3 123,-1.9 123,-0.2 2,-0.3 -0.577 46.1-160.5 -76.3 143.0 10.0 69.3 16.5 5 53 A G E -AB 126 198A 9 193,-2.8 193,-2.8 121,-0.3 2,-0.3 -0.904 12.3-177.0-129.0 155.2 9.5 65.7 15.3 6 54 A F E -AB 125 197A 55 119,-1.6 119,-1.5 -2,-0.3 2,-0.3 -0.993 12.7-161.4-152.0 153.0 8.4 62.3 16.8 7 55 A I E - B 0 196A 3 189,-1.9 189,-2.4 -2,-0.3 2,-0.4 -0.987 9.3-174.0-130.8 137.7 8.0 58.6 16.0 8 56 A V E + B 0 195A 11 114,-0.5 2,-0.3 -2,-0.3 187,-0.2 -0.998 6.7 174.6-133.3 130.8 5.8 56.2 18.0 9 57 A T E B 0 194A 56 185,-1.8 185,-3.0 -2,-0.4 214,-0.1 -0.990 360.0 360.0-135.0 142.4 5.7 52.4 17.3 10 58 A S 0 0 72 -2,-0.3 183,-0.1 183,-0.2 -1,-0.1 0.184 360.0 360.0-142.4 360.0 3.9 49.6 19.2 11 ! 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 12 74 A N 0 0 206 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.9 25.9 41.6 8.3 13 75 A I + 0 0 81 302,-0.0 4,-0.1 305,-0.0 3,-0.0 -0.934 360.0 155.2-105.1 125.4 24.6 45.1 7.4 14 76 A S - 0 0 40 -2,-0.5 301,-0.1 2,-0.2 302,-0.1 -0.970 54.9-115.2-145.3 159.7 21.0 45.9 8.5 15 77 A P S S+ 0 0 16 0, 0.0 11,-0.2 0, 0.0 2,-0.1 0.872 103.8 22.9 -63.0 -33.8 18.8 49.0 9.4 16 78 A D S S- 0 0 70 9,-0.1 2,-0.2 299,-0.1 5,-0.2 -0.428 74.7-138.2-116.5-172.0 18.6 47.7 13.1 17 79 A S - 0 0 46 3,-2.2 3,-0.1 -2,-0.1 8,-0.1 -0.787 38.7 -90.0-138.7-177.9 20.7 45.5 15.4 18 80 A Q S S+ 0 0 112 -2,-0.2 3,-0.0 1,-0.2 -1,-0.0 0.815 128.5 30.8 -67.1 -30.5 20.0 42.8 18.0 19 81 A T S S+ 0 0 111 2,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.411 120.3 48.7-108.9 -1.8 19.9 45.5 20.8 20 82 A S - 0 0 9 -3,-0.1 -3,-2.2 4,-0.0 -1,-0.0 -0.967 66.9-125.3-143.1 161.1 18.5 48.6 18.8 21 83 A D > - 0 0 26 -2,-0.3 4,-2.3 -5,-0.2 5,-0.2 -0.372 44.2 -96.0 -91.7 171.9 15.8 49.8 16.4 22 84 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.792 121.2 51.4 -62.6 -27.8 16.6 51.6 13.0 23 85 A I H > S+ 0 0 4 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.954 112.2 44.2 -71.3 -52.6 16.2 55.2 14.5 24 86 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 116.0 49.2 -56.4 -46.0 18.6 54.6 17.4 25 87 A K H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.924 110.5 50.0 -60.8 -47.0 21.0 52.9 15.0 26 88 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.883 110.8 49.6 -59.6 -41.9 20.8 55.8 12.4 27 89 A V H X>S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 5,-1.8 0.889 112.1 48.1 -66.9 -38.1 21.5 58.4 15.2 28 90 A R H <>S+ 0 0 24 -4,-2.1 5,-3.1 3,-0.2 -2,-0.2 0.938 116.6 44.3 -64.8 -42.9 24.5 56.4 16.4 29 91 A E H <5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.749 124.8 30.4 -71.6 -33.3 25.8 56.1 12.8 30 92 A T H <5S+ 0 0 13 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.685 136.4 12.1-103.1 -25.1 25.3 59.7 11.7 31 93 A I T X5S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -3,-0.2 0.757 123.7 40.6-115.0 -65.9 25.7 61.7 14.9 32 94 A I H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 108.6 53.8 -61.4 -32.3 31.1 60.6 13.8 35 97 A Q H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.940 113.0 43.7 -62.6 -46.2 31.3 63.1 16.6 36 98 A K H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.876 113.6 52.2 -61.3 -42.9 33.6 60.7 18.5 37 99 A D H X S+ 0 0 77 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.907 111.6 43.7 -66.0 -45.5 35.5 59.9 15.2 38 100 A N H X S+ 0 0 40 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.901 114.8 52.0 -65.4 -38.5 36.2 63.6 14.4 39 101 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.917 109.8 47.6 -62.2 -47.7 37.1 64.2 18.1 40 102 A I H X S+ 0 0 4 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.907 109.7 53.7 -60.2 -42.7 39.6 61.3 18.1 41 103 A E H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.905 110.4 47.5 -57.1 -44.0 41.2 62.5 14.9 42 104 A Q H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.900 111.1 50.2 -64.7 -43.1 41.7 66.0 16.6 43 105 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 110.4 50.8 -60.4 -46.5 43.2 64.3 19.7 44 106 A L H X S+ 0 0 17 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.867 112.3 46.6 -59.6 -38.4 45.6 62.3 17.4 45 107 A K H >X S+ 0 0 95 -4,-2.0 3,-1.1 1,-0.2 4,-0.6 0.920 110.5 52.5 -67.8 -45.0 46.6 65.6 15.7 46 108 A D H >< S+ 0 0 29 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.842 99.3 64.5 -58.2 -35.3 47.0 67.4 19.0 47 109 A L H >< S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.770 93.8 61.0 -60.1 -28.6 49.4 64.5 20.2 48 110 A A H << S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.802 101.8 53.2 -68.9 -27.9 51.9 65.5 17.5 49 111 A A T << S+ 0 0 88 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.344 83.2 112.1 -88.4 2.5 52.2 69.0 19.2 50 112 A L < - 0 0 45 -3,-1.1 6,-0.1 -4,-0.2 -3,-0.0 -0.647 58.6-153.5 -77.9 133.8 53.0 67.5 22.6 51 113 A T S S+ 0 0 146 -2,-0.3 2,-1.2 1,-0.1 -1,-0.2 0.856 85.5 77.7 -72.9 -33.5 56.6 68.2 23.7 52 114 A D > + 0 0 79 1,-0.2 4,-2.1 2,-0.1 -1,-0.1 -0.646 62.0 178.4 -79.5 95.5 56.5 65.0 25.8 53 115 A R H > S+ 0 0 122 -2,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.772 77.1 58.5 -70.1 -31.4 57.0 62.5 23.0 54 116 A D H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 111.8 41.3 -63.1 -46.3 56.9 59.5 25.5 55 117 A L H > S+ 0 0 57 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.901 113.5 53.4 -67.9 -43.1 53.4 60.6 26.6 56 118 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 113.5 43.3 -57.5 -45.6 52.3 61.4 23.0 57 119 A E H X S+ 0 0 115 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.859 113.8 50.2 -70.4 -38.5 53.3 57.9 21.8 58 120 A Q H X S+ 0 0 117 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.951 113.1 45.9 -64.7 -48.6 51.8 56.1 24.8 59 121 A K H X S+ 0 0 13 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.887 111.6 52.4 -60.6 -42.2 48.4 57.9 24.4 60 122 A R H X S+ 0 0 111 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.917 110.2 47.6 -59.6 -48.5 48.4 57.2 20.6 61 123 A K H X S+ 0 0 35 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.896 110.9 52.6 -61.2 -40.7 49.0 53.4 21.2 62 124 A E H X S+ 0 0 70 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.894 112.2 44.8 -60.3 -46.1 46.2 53.4 23.8 63 125 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.951 115.8 46.6 -63.5 -50.0 43.7 55.1 21.4 64 126 A E H X S+ 0 0 61 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.858 113.4 48.2 -61.5 -41.6 44.7 52.8 18.5 65 127 A E H X S+ 0 0 131 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.901 114.1 46.2 -67.0 -44.0 44.6 49.6 20.6 66 128 A E H >X S+ 0 0 29 -4,-2.1 4,-3.2 -5,-0.2 3,-0.8 0.890 106.3 58.1 -66.8 -40.5 41.2 50.5 22.0 67 129 A K H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 104.8 53.4 -55.2 -37.9 39.7 51.5 18.5 68 130 A E H 3< S+ 0 0 181 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.739 117.3 36.1 -68.6 -30.1 40.5 47.9 17.4 69 131 A K H << S+ 0 0 180 -4,-0.8 2,-0.3 -3,-0.8 -2,-0.2 0.822 135.6 11.8 -90.3 -42.3 38.6 46.3 20.3 70 132 A D >< - 0 0 50 -4,-3.2 3,-1.9 -5,-0.1 -1,-0.2 -0.835 53.8-168.4-147.3 102.6 35.7 48.8 20.6 71 133 A K T 3 S+ 0 0 144 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.723 92.3 63.7 -62.4 -23.5 35.0 51.5 17.9 72 134 A T T 3 S- 0 0 24 -5,-0.0 -1,-0.3 1,-0.0 5,-0.1 0.565 97.2-144.8 -75.8 -12.5 32.5 53.2 20.4 73 135 A L <> + 0 0 1 -3,-1.9 4,-2.5 -7,-0.2 5,-0.2 0.819 36.7 163.0 48.4 43.9 35.6 53.8 22.7 74 136 A S H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.916 73.3 45.2 -57.4 -45.5 33.6 53.3 25.9 75 137 A T H > S+ 0 0 101 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.929 111.9 52.9 -66.7 -44.9 36.7 52.8 28.1 76 138 A F H >4 S+ 0 0 3 1,-0.2 3,-1.0 2,-0.2 6,-0.3 0.928 113.7 41.6 -54.0 -53.3 38.5 55.8 26.5 77 139 A F H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.9 52.5 -72.5 -24.1 35.6 58.2 27.1 78 140 A G H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.450 87.7 97.8 -86.7 -2.2 34.9 56.9 30.6 79 141 A N X< - 0 0 63 -3,-1.0 3,-2.1 -4,-0.6 4,-0.3 -0.791 63.3-154.5 -91.0 114.9 38.6 57.3 31.7 80 142 A P G > S+ 0 0 90 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.735 91.5 70.4 -60.9 -18.8 39.1 60.6 33.7 81 143 A A G 3 S+ 0 0 60 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.700 96.1 53.9 -69.2 -15.5 42.8 60.6 32.5 82 144 A N G <> S+ 0 0 2 -3,-2.1 4,-2.6 -6,-0.3 -1,-0.2 0.536 81.5 92.6 -93.7 -6.9 41.5 61.4 29.0 83 145 A R H <> S+ 0 0 151 -3,-1.0 4,-3.1 -4,-0.3 5,-0.2 0.856 84.6 48.7 -55.1 -46.7 39.5 64.5 30.0 84 146 A E H > S+ 0 0 114 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.888 113.7 47.2 -64.3 -37.9 42.3 67.1 29.4 85 147 A F H > S+ 0 0 24 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.916 115.3 46.2 -66.6 -42.5 43.0 65.6 25.9 86 148 A I H X S+ 0 0 14 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.948 114.5 47.7 -64.1 -50.9 39.2 65.6 25.1 87 149 A D H X S+ 0 0 67 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.841 111.2 49.7 -59.8 -42.3 38.8 69.2 26.5 88 150 A K H < S+ 0 0 107 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.823 113.1 46.7 -68.0 -34.1 41.9 70.5 24.5 89 151 A A H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 6,-0.3 0.914 107.4 57.8 -72.2 -41.0 40.6 69.0 21.3 90 152 A L H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.660 99.2 59.3 -63.2 -21.6 37.0 70.3 21.8 91 153 A E T 3< S+ 0 0 110 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.412 79.9 107.7 -88.1 0.7 38.3 73.9 22.0 92 154 A K <> - 0 0 50 -3,-1.8 4,-2.2 1,-0.2 3,-0.4 -0.706 61.8-152.1 -82.3 120.8 39.7 73.7 18.4 93 155 A P H > S+ 0 0 80 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.838 96.2 60.8 -58.9 -32.3 37.6 75.8 16.0 94 156 A E H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.888 108.4 43.0 -62.9 -37.6 38.7 73.4 13.1 95 157 A L H > S+ 0 0 1 -3,-0.4 4,-2.6 -6,-0.3 3,-0.3 0.945 111.9 53.9 -69.3 -48.6 37.1 70.4 15.0 96 158 A K H X S+ 0 0 36 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.885 106.2 52.9 -51.6 -44.5 34.0 72.5 15.8 97 159 A K H X S+ 0 0 130 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.900 111.1 47.0 -57.3 -46.0 33.6 73.3 12.1 98 160 A K H X S+ 0 0 61 -4,-1.3 4,-2.2 -3,-0.3 5,-0.2 0.928 111.8 49.7 -64.0 -48.0 33.7 69.6 11.3 99 161 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.931 109.5 53.3 -58.1 -44.9 31.2 68.7 14.0 100 162 A E H X S+ 0 0 30 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.891 109.5 45.7 -57.9 -48.3 28.8 71.4 12.9 101 163 A S H X S+ 0 0 74 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.889 115.3 46.6 -68.7 -35.8 28.6 70.2 9.2 102 164 A I H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.818 112.3 52.3 -74.5 -27.5 28.2 66.5 10.2 103 165 A E H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.939 112.1 43.5 -69.3 -48.9 25.5 67.5 12.7 104 166 A I H X S+ 0 0 35 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.935 121.5 40.4 -61.3 -49.2 23.4 69.5 10.2 105 167 A A H X S+ 0 0 46 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.878 115.2 53.8 -67.0 -39.5 23.8 66.9 7.5 106 168 A G H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.923 110.8 43.3 -61.3 -51.4 23.3 64.0 10.0 107 169 A Y H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.895 114.6 51.5 -63.8 -40.5 20.0 65.4 11.5 108 170 A K H X S+ 0 0 67 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.890 111.2 47.5 -61.7 -44.4 18.7 66.1 7.9 109 171 A N H X S+ 0 0 54 -4,-2.4 4,-2.4 2,-0.2 203,-0.4 0.891 113.0 48.0 -67.9 -38.3 19.6 62.6 6.7 110 172 A V H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.961 115.7 43.7 -64.4 -53.2 17.9 61.0 9.8 111 173 A H H < S+ 0 0 30 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.887 117.1 46.6 -61.8 -38.6 14.7 63.1 9.4 112 174 A N H < S+ 0 0 90 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.854 113.2 48.7 -72.7 -35.3 14.7 62.5 5.6 113 175 A T H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.865 124.6 29.1 -68.4 -40.0 15.3 58.7 5.8 114 176 A F S < S+ 0 0 2 -4,-2.2 10,-2.6 -5,-0.2 -1,-0.2 0.121 88.8 129.8-112.0 20.9 12.6 58.1 8.5 115 177 A S B > -f 124 0B 21 -3,-0.4 5,-2.2 -4,-0.4 4,-0.2 -0.502 57.7-141.1 -74.8 142.7 10.1 60.9 7.7 116 178 A A T > 5S+ 0 0 32 8,-2.6 3,-1.3 3,-0.2 -1,-0.1 0.869 108.5 58.4 -69.0 -33.4 6.4 60.0 7.2 117 179 A A T 3 5S+ 0 0 100 7,-0.5 -1,-0.2 1,-0.3 -5,-0.1 0.842 101.1 54.6 -61.0 -36.1 6.5 62.5 4.3 118 180 A S T 3 5S- 0 0 57 2,-0.1 -1,-0.3 -6,-0.1 -2,-0.2 0.538 129.4-100.1 -73.3 -11.2 9.3 60.4 2.7 119 181 A G T < 5S+ 0 0 22 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.523 73.2 146.6 102.1 8.9 6.9 57.4 2.9 120 182 A Y > < - 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0 0 4 -2,-0.3 129,-1.8 129,-0.2 2,-0.3 -0.610 45.0-161.1 -79.7 143.0 1.3 42.7 -4.0 304 53 B G E -QR 431 503G 9 199,-2.6 199,-2.7 127,-0.3 2,-0.3 -0.898 11.9-175.8-128.4 156.5 4.5 44.4 -2.9 305 54 B F E -QR 430 502G 49 125,-1.6 125,-1.5 -2,-0.3 2,-0.3 -0.994 11.7-161.5-150.7 153.0 7.2 46.5 -4.5 306 55 B I E - R 0 501G 7 195,-1.9 195,-2.3 -2,-0.3 2,-0.4 -0.987 9.4-174.0-131.9 136.8 10.6 48.2 -3.7 307 56 B V E + R 0 500G 17 120,-0.4 2,-0.3 -2,-0.3 193,-0.2 -0.998 6.4 174.7-132.8 130.8 12.2 51.0 -5.8 308 57 B T E R 0 499G 31 191,-1.8 191,-2.9 -2,-0.4 220,-0.1 -0.991 360.0 360.0-134.9 141.9 15.7 52.4 -5.2 309 58 B S 0 0 74 -2,-0.3 189,-0.1 189,-0.2 -1,-0.1 0.213 360.0 360.0-142.1 360.0 17.7 54.9 -7.2 310 ! 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 0.0 311 63 B Q 0 0 57 0, 0.0 9,-0.1 0, 0.0 -201,-0.1 0.000 360.0 360.0 360.0 66.7 17.2 56.7 2.7 312 64 B S + 0 0 47 -203,-0.4 -202,-0.1 4,-0.1 -203,-0.1 0.326 360.0 114.5-105.7 3.0 20.6 58.4 3.0 313 65 B T S > S- 0 0 2 -204,-0.3 4,-3.1 -203,-0.1 5,-0.2 -0.421 80.9-101.5 -74.2 152.9 21.9 57.2 6.5 314 66 B P H > S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 3,-0.2 0.886 119.5 40.3 -43.4 -65.2 25.1 54.9 6.4 315 67 B S H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.855 120.2 46.2 -53.9 -40.1 23.4 51.5 6.8 316 68 B M H > S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.872 111.5 52.0 -70.4 -35.6 20.5 52.4 4.5 317 69 B S H < S+ 0 0 65 -4,-3.1 -2,-0.2 2,-0.2 3,-0.2 0.922 111.3 47.6 -63.3 -46.5 23.0 53.9 1.9 318 70 B A H < S+ 0 0 41 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.943 114.9 45.3 -58.5 -51.8 25.0 50.6 2.0 319 71 B L H < 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.691 360.0 360.0 -66.4 -25.5 21.7 48.5 1.6 320 72 B S < 0 0 75 -4,-1.6 107,-0.0 -3,-0.2 -12,-0.0 -0.624 360.0 360.0 -76.6 360.0 20.4 50.8 -1.2 321 ! 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 0.0 322 79 B S 0 0 165 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.0 32.2 44.8 -3.9 323 80 B Q + 0 0 133 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.586 360.0 177.5 -80.8 133.9 28.5 44.0 -4.3 324 81 B T S S+ 0 0 135 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.741 75.7 7.2 -99.2 -39.5 27.4 41.4 -6.9 325 82 B S S S- 0 0 18 1,-0.0 -1,-0.3 3,-0.0 202,-0.0 -0.863 81.7-106.9-136.3 166.5 23.6 41.5 -6.1 326 83 B D > - 0 0 23 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.395 41.0 -95.4 -92.8 175.3 21.4 43.7 -3.8 327 84 B P H > S+ 0 0 22 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.816 121.1 50.3 -65.3 -32.0 19.9 42.5 -0.4 328 85 B I H > S+ 0 0 6 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.938 112.8 45.0 -67.3 -51.0 16.4 41.5 -1.8 329 86 B T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 115.9 48.3 -58.0 -47.1 17.9 39.4 -4.7 330 87 B K H X S+ 0 0 116 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.915 111.2 49.5 -60.4 -46.7 20.3 37.8 -2.2 331 88 B A H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.887 111.0 49.8 -61.1 -41.4 17.5 37.0 0.3 332 89 B V H X>S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-1.8 0.889 112.0 48.0 -67.2 -37.4 15.3 35.5 -2.4 333 90 B R H <>S+ 0 0 32 -4,-2.2 5,-3.1 3,-0.2 -2,-0.2 0.939 116.8 43.9 -65.8 -42.8 18.3 33.3 -3.6 334 91 B E H <5S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.760 124.9 30.7 -72.3 -33.8 19.0 32.2 0.0 335 92 B T H <5S+ 0 0 39 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.680 136.4 11.9-101.4 -25.7 15.5 31.6 1.2 336 93 B I T X5S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -3,-0.2 0.762 123.8 40.8-114.7 -65.9 13.7 30.4 -2.0 337 94 B I H > S+ 0 0 26 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.851 108.8 53.8 -61.5 -32.6 16.6 25.7 -0.8 340 97 B Q H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.938 112.9 43.8 -62.1 -46.2 14.3 24.6 -3.6 341 98 B K H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.870 113.3 52.6 -61.8 -42.3 17.4 23.2 -5.4 342 99 B D H X S+ 0 0 78 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.916 111.6 43.2 -65.2 -46.2 18.7 21.7 -2.2 343 100 B N H X S+ 0 0 40 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.901 114.8 52.2 -65.2 -38.7 15.5 19.8 -1.4 344 101 B L H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.919 109.7 47.6 -61.9 -47.9 15.3 18.7 -5.1 345 102 B I H X S+ 0 0 5 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.908 109.7 53.8 -59.4 -43.7 18.9 17.4 -5.1 346 103 B E H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.912 110.5 47.3 -56.7 -44.2 18.2 15.5 -1.8 347 104 B Q H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.902 111.0 50.5 -64.7 -43.4 15.2 13.9 -3.5 348 105 B I H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.939 110.4 50.4 -59.8 -46.6 17.2 13.0 -6.6 349 106 B L H X S+ 0 0 17 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.864 112.3 46.7 -60.0 -38.6 19.9 11.4 -4.4 350 107 B K H >X S+ 0 0 95 -4,-2.0 3,-1.1 1,-0.2 4,-0.6 0.922 110.7 52.5 -67.6 -44.2 17.2 9.4 -2.6 351 108 B D H >< S+ 0 0 31 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.846 99.5 64.2 -57.9 -36.2 15.7 8.3 -6.0 352 109 B L H >< S+ 0 0 6 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.770 93.9 61.3 -60.0 -28.9 19.2 7.1 -7.2 353 110 B A H << S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.800 101.6 53.0 -68.2 -28.8 19.1 4.4 -4.4 354 111 B A T << S+ 0 0 86 -3,-1.2 2,-0.4 -4,-0.6 -1,-0.2 0.316 83.1 112.4 -88.9 4.2 15.9 2.9 -6.1 355 112 B L < - 0 0 45 -3,-1.1 6,-0.1 1,-0.2 -3,-0.0 -0.671 58.3-153.5 -78.7 133.6 17.6 2.7 -9.5 356 113 B T S S+ 0 0 144 -2,-0.4 2,-1.2 1,-0.1 -1,-0.2 0.846 85.5 77.5 -72.8 -33.9 18.1 -1.0 -10.6 357 114 B D > + 0 0 78 1,-0.2 4,-2.1 2,-0.1 -1,-0.1 -0.660 62.1 178.1 -79.2 95.2 21.1 0.2 -12.8 358 115 B R H > S+ 0 0 108 -2,-1.2 4,-2.5 2,-0.2 5,-0.2 0.775 76.9 58.9 -70.4 -31.5 23.7 0.7 -10.0 359 116 B D H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 111.8 40.9 -62.9 -45.8 26.4 1.7 -12.5 360 117 B L H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.895 114.0 53.0 -68.0 -43.2 24.2 4.7 -13.6 361 118 B A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 113.5 43.5 -57.6 -45.7 23.1 5.4 -9.9 362 119 B E H X S+ 0 0 124 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.852 113.7 50.2 -70.7 -38.3 26.7 5.6 -8.8 363 120 B Q H X S+ 0 0 118 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.952 113.4 45.7 -64.2 -48.4 27.9 7.7 -11.8 364 121 B K H X S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.884 111.7 52.1 -61.0 -42.7 25.0 10.2 -11.4 365 122 B R H X S+ 0 0 132 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.916 110.4 47.8 -60.0 -48.2 25.7 10.5 -7.6 366 123 B K H X S+ 0 0 45 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.904 110.9 52.5 -60.9 -41.6 29.4 11.2 -8.2 367 124 B E H X S+ 0 0 68 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 112.4 44.7 -59.2 -47.3 28.5 13.8 -10.8 368 125 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.945 115.8 46.6 -62.1 -50.4 26.1 15.6 -8.4 369 126 B E H X S+ 0 0 61 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.857 113.5 48.0 -61.9 -41.4 28.6 15.4 -5.4 370 127 B E H X S+ 0 0 130 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.900 114.1 46.3 -66.8 -44.1 31.6 16.7 -7.6 371 128 B E H >X S+ 0 0 30 -4,-2.1 4,-3.2 -5,-0.2 3,-0.7 0.887 106.1 58.4 -67.0 -39.8 29.6 19.6 -9.0 372 129 B K H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.854 104.6 53.5 -55.8 -37.7 28.2 20.6 -5.5 373 130 B E H 3< S+ 0 0 177 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 117.2 36.2 -68.3 -30.2 31.8 21.1 -4.3 374 131 B K H << S+ 0 0 180 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.2 0.813 135.5 11.6 -90.4 -41.1 32.6 23.4 -7.3 375 132 B D >< - 0 0 51 -4,-3.2 3,-1.9 -5,-0.1 -1,-0.2 -0.825 53.6-167.7-149.2 103.1 29.3 25.3 -7.6 376 133 B K T 3 S+ 0 0 145 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.709 92.7 63.4 -62.8 -22.9 26.5 25.1 -4.9 377 134 B T T 3 S- 0 0 24 -5,-0.0 -1,-0.3 -36,-0.0 5,-0.1 0.563 97.3-144.5 -76.6 -12.8 24.1 26.8 -7.4 378 135 B L <> + 0 0 1 -3,-1.9 4,-2.5 -7,-0.2 5,-0.2 0.822 36.3 163.8 49.1 44.0 24.6 23.6 -9.7 379 136 B S H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.911 73.3 44.8 -56.8 -46.6 24.4 25.7 -12.9 380 137 B T H > S+ 0 0 101 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.929 112.1 52.9 -66.3 -45.0 25.9 22.9 -15.1 381 138 B F H >4 S+ 0 0 2 1,-0.2 3,-1.0 2,-0.2 6,-0.3 0.926 113.7 41.7 -53.5 -53.7 23.7 20.2 -13.5 382 139 B F H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 113.7 52.6 -72.1 -23.6 20.4 22.2 -14.1 383 140 B G H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.468 87.7 97.4 -87.3 -1.9 21.4 23.3 -17.6 384 141 B N X< - 0 0 65 -3,-1.0 3,-2.1 -4,-0.6 4,-0.3 -0.782 63.3-154.6 -91.9 115.6 22.2 19.7 -18.7 385 142 B P G > S+ 0 0 89 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.732 91.4 70.6 -62.0 -18.2 19.3 18.0 -20.6 386 143 B A G 3 S+ 0 0 61 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.709 96.2 53.6 -69.4 -15.0 20.5 14.5 -19.5 387 144 B N G <> S+ 0 0 2 -3,-2.1 4,-2.6 -6,-0.3 -1,-0.2 0.550 81.8 92.7 -94.6 -6.7 19.4 15.4 -15.9 388 145 B R H <> S+ 0 0 149 -3,-1.0 4,-3.1 -4,-0.3 5,-0.2 0.853 84.3 49.1 -55.0 -46.6 15.8 16.3 -17.0 389 146 B E H > S+ 0 0 110 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.889 113.5 47.2 -63.9 -37.9 14.3 12.8 -16.3 390 147 B F H > S+ 0 0 22 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.919 115.4 46.1 -66.6 -42.3 16.0 12.7 -12.9 391 148 B I H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.947 114.4 47.8 -64.3 -51.1 14.7 16.2 -12.1 392 149 B D H X S+ 0 0 64 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.843 111.3 49.5 -59.4 -42.2 11.2 15.4 -13.4 393 150 B K H < S+ 0 0 109 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.818 113.1 47.1 -67.9 -34.1 10.9 12.1 -11.5 394 151 B A H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 6,-0.3 0.915 107.2 57.8 -71.8 -41.6 12.0 13.8 -8.2 395 152 B L H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.670 99.1 59.1 -62.5 -22.3 9.5 16.8 -8.8 396 153 B E T 3< S+ 0 0 110 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.1 0.413 79.9 108.5 -87.3 0.2 6.5 14.4 -8.9 397 154 B K <> - 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