==== 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 METAL BINDING PROTEIN 16-FEB-07 2OWS . COMPND 2 MOLECULE: PUTATIVE IRON BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS TOHAMA I; . AUTHOR S.A.L.TOM-YEW,M.E.P.MURPHY . 314 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 1 3 1 1 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 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 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 6 A D 0 0 136 0, 0.0 27,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.1 -54.3 -14.2 -11.8 2 7 A E E -a 28 0A 70 25,-0.3 2,-0.3 27,-0.0 27,-0.2 -0.913 360.0-157.4-149.4 165.8 -52.4 -11.9 -9.6 3 8 A V E -a 29 0A 0 25,-2.0 27,-3.2 -2,-0.3 2,-0.6 -0.974 17.3-140.8-150.4 137.6 -49.1 -11.0 -7.8 4 9 A S E -a 30 0A 9 46,-0.3 48,-2.2 -2,-0.3 49,-2.1 -0.908 10.3-163.3-108.1 120.9 -48.5 -8.8 -4.8 5 10 A L E -ab 31 53A 0 25,-3.2 27,-3.4 -2,-0.6 2,-0.6 -0.903 1.5-163.8-102.7 114.4 -45.5 -6.5 -4.7 6 11 A Y E +ab 32 54A 4 47,-2.7 49,-2.7 -2,-0.6 2,-0.4 -0.897 23.5 177.2 -93.5 119.2 -44.6 -5.1 -1.2 7 12 A T E -ab 33 55A 0 25,-2.7 27,-2.8 -2,-0.6 49,-0.2 -0.978 42.3-164.3-133.2 135.9 -42.2 -2.3 -1.8 8 13 A T S S+ 0 0 34 47,-2.1 2,-0.4 -2,-0.4 48,-0.1 0.458 80.1 90.0 -87.8 -5.6 -40.4 0.3 0.3 9 14 A R S S- 0 0 15 46,-0.3 25,-0.1 1,-0.1 -2,-0.1 -0.736 96.5-103.5 -83.5 135.0 -39.8 2.1 -3.0 10 15 A E > - 0 0 83 -2,-0.4 3,-2.2 1,-0.2 4,-0.4 -0.439 25.7-129.4 -61.0 127.4 -42.6 4.6 -4.0 11 16 A P G >> S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 3,-1.3 0.695 102.9 76.9 -54.8 -19.0 -44.7 2.9 -6.7 12 17 A K G 34 S+ 0 0 168 1,-0.3 -2,-0.1 2,-0.2 3,-0.0 0.860 89.7 55.9 -55.8 -38.3 -44.2 6.1 -8.8 13 18 A L G <4 S+ 0 0 24 -3,-2.2 -1,-0.3 1,-0.2 252,-0.2 0.685 124.9 20.9 -65.9 -18.6 -40.6 4.9 -9.6 14 19 A I T <> S+ 0 0 1 -3,-1.3 4,-2.2 -4,-0.4 5,-0.2 0.454 87.7 103.5-134.7 -2.0 -42.0 1.7 -11.0 15 20 A Q H X S+ 0 0 61 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.897 83.5 51.0 -60.4 -46.4 -45.7 2.0 -12.0 16 21 A P H > S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.928 113.3 45.4 -55.5 -44.7 -45.2 2.2 -15.8 17 22 A L H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.855 114.0 49.4 -69.7 -31.8 -43.0 -0.9 -15.8 18 23 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.877 109.4 52.3 -69.4 -39.6 -45.5 -2.8 -13.6 19 24 A D H X S+ 0 0 91 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.868 108.0 51.6 -62.4 -38.2 -48.3 -1.7 -15.8 20 25 A A H X S+ 0 0 24 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.926 109.7 49.5 -64.7 -43.7 -46.4 -3.1 -18.8 21 26 A F H X S+ 0 0 14 -4,-1.8 4,-2.6 1,-0.2 6,-0.4 0.927 113.1 46.8 -59.1 -46.7 -45.9 -6.5 -17.0 22 27 A A H X S+ 0 0 26 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.905 113.8 47.4 -64.0 -44.3 -49.6 -6.6 -16.2 23 28 A K H < S+ 0 0 151 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.950 118.4 40.1 -60.9 -49.6 -50.7 -5.7 -19.7 24 29 A D H < S+ 0 0 121 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.859 125.0 34.6 -72.5 -37.0 -48.4 -8.2 -21.4 25 30 A S H < S- 0 0 52 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.716 95.2-129.2 -89.7 -26.2 -48.7 -11.1 -19.0 26 31 A G < + 0 0 55 -4,-2.1 2,-0.6 -5,-0.3 -4,-0.1 0.469 66.3 131.9 82.9 2.5 -52.4 -10.7 -18.0 27 32 A I - 0 0 5 -6,-0.4 -1,-0.3 -5,-0.2 -25,-0.3 -0.802 57.8-131.4 -93.1 119.3 -51.3 -10.9 -14.3 28 33 A K E -a 2 0A 120 -27,-2.6 -25,-2.0 -2,-0.6 2,-0.6 -0.497 19.1-146.2 -67.1 129.0 -52.8 -8.2 -12.1 29 34 A V E -a 3 0A 21 -2,-0.2 2,-0.7 -27,-0.2 -25,-0.2 -0.905 6.5-158.9-101.1 122.2 -50.0 -6.5 -10.0 30 35 A N E -a 4 0A 44 -27,-3.2 -25,-3.2 -2,-0.6 2,-0.6 -0.908 10.1-155.7 -96.5 116.0 -51.0 -5.4 -6.6 31 36 A T E -a 5 0A 42 -2,-0.7 2,-0.6 -27,-0.2 -25,-0.2 -0.846 9.7-172.6 -96.1 123.2 -48.6 -2.7 -5.3 32 37 A V E -a 6 0A 32 -27,-3.4 -25,-2.7 -2,-0.6 2,-0.6 -0.948 12.2-151.5-116.5 108.8 -48.3 -2.4 -1.6 33 38 A F E -a 7 0A 78 -2,-0.6 2,-0.6 -27,-0.2 -25,-0.2 -0.712 13.1-176.1 -83.5 120.4 -46.2 0.6 -0.5 34 39 A V - 0 0 5 -27,-2.8 4,-0.2 -2,-0.6 3,-0.1 -0.885 6.7-169.0-119.2 93.7 -44.6 -0.1 2.9 35 40 A K - 0 0 151 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.870 69.7 -11.7 -55.0 -44.2 -42.7 3.1 3.9 36 41 A D S S+ 0 0 138 1,-0.1 -1,-0.1 2,-0.0 5,-0.1 -0.974 115.1 44.9-150.7 165.1 -40.9 1.5 6.8 37 42 A G > + 0 0 22 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.894 54.1 157.4 68.5 43.0 -40.9 -1.7 8.8 38 43 A L H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.932 73.4 50.6 -61.6 -49.0 -41.2 -4.1 5.9 39 44 A L H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 111.9 48.0 -51.6 -49.5 -39.8 -7.0 7.9 40 45 A E H > S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 110.8 50.2 -64.7 -41.6 -42.2 -6.4 10.8 41 46 A R H X S+ 0 0 100 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.928 112.5 45.1 -63.4 -48.4 -45.3 -6.1 8.5 42 47 A V H X S+ 0 0 9 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.905 114.2 50.0 -64.2 -41.5 -44.6 -9.4 6.6 43 48 A R H >< S+ 0 0 132 -4,-2.3 3,-0.8 -5,-0.3 -2,-0.2 0.923 110.5 50.0 -58.5 -46.3 -43.8 -11.2 9.9 44 49 A A H 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.3 56.4 -65.3 -30.3 -47.0 -9.9 11.5 45 50 A E H >< S- 0 0 63 -4,-1.6 3,-0.7 1,-0.2 -1,-0.3 0.699 95.4-175.8 -76.9 -19.9 -49.1 -11.0 8.5 46 51 A G G X< - 0 0 26 -4,-0.9 3,-1.9 -3,-0.8 -1,-0.2 -0.110 47.8 -13.7 66.4-152.8 -47.8 -14.6 9.1 47 52 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.715 137.0 48.6 -60.5 -26.6 -48.3 -17.7 7.0 48 53 A K G < S+ 0 0 189 -3,-0.7 -1,-0.3 192,-0.0 -2,-0.2 0.236 76.0 141.9-102.4 13.1 -51.2 -16.2 5.1 49 54 A S < - 0 0 5 -3,-1.9 -7,-0.1 -7,-0.2 -3,-0.0 -0.322 51.7-138.9 -52.1 130.9 -49.5 -12.9 4.2 50 55 A P + 0 0 62 0, 0.0 -46,-0.3 0, 0.0 192,-0.2 0.565 62.3 125.9 -66.5 -12.4 -50.5 -11.8 0.6 51 56 A A + 0 0 1 1,-0.1 188,-0.2 189,-0.1 -46,-0.1 -0.279 25.8 165.2 -58.7 129.8 -46.9 -10.7 -0.1 52 57 A D + 0 0 0 -48,-2.2 185,-2.4 1,-0.4 2,-0.4 0.778 68.7 21.1-105.4 -50.4 -45.3 -12.3 -3.2 53 58 A V E -bC 5 236A 0 -49,-2.1 -47,-2.7 183,-0.3 2,-0.5 -0.976 66.2-152.5-126.8 134.8 -42.3 -10.2 -3.9 54 59 A L E -bC 6 235A 0 181,-3.2 181,-1.8 -2,-0.4 2,-0.4 -0.941 14.8-173.2-108.6 126.8 -40.5 -8.0 -1.4 55 60 A M E +bC 7 234A 0 -49,-2.7 -47,-2.1 -2,-0.5 -46,-0.3 -0.973 16.1 145.2-124.9 131.7 -38.6 -4.9 -2.8 56 61 A T E - C 0 233A 5 177,-2.4 177,-2.7 -2,-0.4 2,-0.4 -0.890 40.1-108.1-152.1 179.6 -36.3 -2.6 -0.8 57 62 A V E S+ C 0 232A 29 -2,-0.3 175,-0.3 175,-0.2 4,-0.2 -0.944 74.9 40.9-121.2 143.4 -33.2 -0.5 -0.8 58 63 A D S > S- 0 0 12 173,-3.1 4,-1.8 -2,-0.4 3,-0.3 0.563 73.6-116.1 90.2 126.5 -29.9 -1.2 0.9 59 64 A I H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 115.8 55.4 -56.2 -39.2 -28.1 -4.6 1.1 60 65 A G H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 106.6 50.0 -60.2 -41.9 -28.5 -4.6 4.9 61 66 A N H > S+ 0 0 73 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.846 113.0 47.5 -63.1 -38.0 -32.3 -4.1 4.6 62 67 A L H >X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 3,-0.6 0.948 112.7 46.5 -70.1 -49.9 -32.5 -7.0 2.1 63 68 A I H 3X S+ 0 0 21 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.854 106.4 60.5 -61.9 -33.0 -30.4 -9.4 4.1 64 69 A D H 3X S+ 0 0 93 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.858 102.9 52.1 -61.7 -34.9 -32.4 -8.4 7.2 65 70 A L H <<>S+ 0 0 5 -4,-1.0 5,-2.0 -3,-0.6 6,-0.3 0.918 112.9 43.8 -64.9 -44.2 -35.5 -9.8 5.4 66 71 A V H ><5S+ 0 0 38 -4,-1.6 3,-1.8 1,-0.2 5,-0.3 0.950 116.1 45.9 -66.5 -51.2 -33.7 -13.1 4.6 67 72 A N H 3<5S+ 0 0 129 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 107.7 60.7 -62.6 -27.1 -32.3 -13.4 8.2 68 73 A G T 3<5S- 0 0 16 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.324 113.7-117.8 -82.2 5.2 -35.7 -12.5 9.5 69 74 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.679 81.7 116.3 71.2 23.6 -37.3 -15.5 7.8 70 75 A V < + 0 0 8 -5,-2.0 168,-1.9 168,-0.1 2,-0.3 0.259 63.1 67.4-108.1 13.3 -39.7 -13.7 5.5 71 76 A T E -D 237 0A 21 166,-0.3 2,-0.3 -6,-0.3 166,-0.3 -0.801 63.8-146.8-122.6 163.5 -38.1 -14.9 2.2 72 77 A Q E -D 236 0A 44 164,-2.3 164,-0.5 -2,-0.3 2,-0.2 -0.958 24.3-107.5-128.8 157.8 -37.8 -18.1 0.3 73 78 A K - 0 0 137 -2,-0.3 2,-0.3 162,-0.1 19,-0.2 -0.505 37.1-170.4 -76.2 143.8 -35.1 -19.6 -1.9 74 79 A I - 0 0 5 17,-0.7 2,-0.5 -2,-0.2 20,-0.1 -0.944 19.8-135.2-133.6 160.4 -35.8 -19.8 -5.6 75 80 A Q + 0 0 154 -2,-0.3 2,-0.3 17,-0.1 3,-0.1 -0.974 35.1 155.0-115.3 123.9 -34.2 -21.4 -8.6 76 81 A S > - 0 0 7 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.822 31.6-170.6-154.6 110.7 -33.9 -19.2 -11.7 77 82 A Q H > S+ 0 0 145 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.819 95.5 58.9 -62.9 -31.2 -31.5 -19.4 -14.6 78 83 A T H > S+ 0 0 50 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.959 111.7 37.9 -63.7 -49.9 -32.9 -16.1 -15.8 79 84 A L H >> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.7 0.925 117.0 49.9 -69.5 -45.4 -32.0 -14.3 -12.6 80 85 A D H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.1 49.2 -65.7 -31.4 -28.7 -16.0 -12.0 81 86 A S H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.670 117.8 40.4 -80.8 -16.1 -27.5 -15.4 -15.5 82 87 A V H << S+ 0 0 22 -4,-0.8 191,-0.4 -3,-0.7 -2,-0.2 0.841 106.3 63.3 -93.4 -45.1 -28.4 -11.7 -15.3 83 88 A V S < S- 0 0 1 -4,-2.8 -1,-0.1 -5,-0.2 189,-0.1 -0.733 90.0-118.8 -90.9 119.8 -27.4 -10.7 -11.8 84 89 A P > - 0 0 56 0, 0.0 3,-2.1 0, 0.0 12,-0.2 -0.220 26.2-113.7 -54.8 148.2 -23.6 -11.0 -11.1 85 90 A A G > S+ 0 0 66 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.842 115.3 57.6 -56.2 -36.8 -22.8 -13.5 -8.4 86 91 A N G 3 S+ 0 0 35 1,-0.3 208,-2.3 207,-0.1 209,-0.4 0.629 106.3 52.7 -70.6 -7.8 -21.5 -10.9 -6.0 87 92 A L G < S+ 0 0 3 -3,-2.1 9,-2.3 206,-0.2 2,-0.3 0.070 104.3 58.6-116.6 20.3 -24.8 -9.1 -6.3 88 93 A R B < S-E 95 0A 68 -3,-1.4 7,-0.2 7,-0.2 2,-0.2 -0.982 80.1-111.6-144.5 155.5 -27.2 -12.0 -5.4 89 94 A G > - 0 0 6 5,-2.7 3,-1.1 -2,-0.3 5,-0.2 -0.485 47.9 -81.3 -82.6 157.9 -27.6 -14.3 -2.4 90 95 A A G > S+ 0 0 74 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 -0.243 109.6 4.2 -55.0 141.4 -26.8 -18.0 -2.5 91 96 A E G 3 S- 0 0 131 1,-0.3 -17,-0.7 2,-0.1 -1,-0.2 0.807 131.4 -59.5 45.7 43.0 -29.6 -20.2 -4.0 92 97 A G G < S+ 0 0 2 -3,-1.1 144,-0.3 -19,-0.2 -1,-0.3 0.745 90.6 141.5 69.6 32.0 -31.8 -17.4 -5.0 93 98 A S S < S- 0 0 16 -3,-1.3 2,-0.3 1,-0.2 -21,-0.1 0.769 75.1 -12.1 -74.6 -30.3 -32.3 -15.9 -1.6 94 99 A W - 0 0 12 -5,-0.2 -5,-2.7 141,-0.1 2,-0.4 -0.951 62.7-151.7-165.9 156.4 -32.2 -12.2 -2.8 95 100 A Y E -EF 88 234A 0 139,-2.4 139,-2.3 -2,-0.3 -7,-0.2 -0.999 17.9-124.3-139.7 132.8 -31.2 -10.3 -5.9 96 101 A A E - F 0 233A 0 -9,-2.3 137,-0.3 -2,-0.4 3,-0.1 -0.520 22.1-179.1 -67.4 143.9 -29.9 -6.8 -6.7 97 102 A L E + 0 0 0 135,-2.9 174,-1.1 1,-0.4 2,-0.3 0.574 67.0 7.9-115.9 -26.8 -32.0 -4.9 -9.2 98 103 A S E -GF 270 232A 0 134,-1.3 134,-1.7 172,-0.2 -1,-0.4 -0.981 69.7-122.0-152.6 159.5 -30.0 -1.7 -9.4 99 104 A L E -GF 269 231A 7 170,-3.3 170,-2.3 -2,-0.3 2,-0.5 -0.869 10.6-163.9-108.6 138.8 -26.7 -0.3 -8.3 100 105 A R E - F 0 230A 16 130,-3.1 130,-2.6 -2,-0.4 2,-0.2 -0.859 17.8-162.0-122.7 88.6 -26.1 2.8 -6.2 101 106 A D E - F 0 229A 6 -2,-0.5 92,-2.5 128,-0.3 2,-0.7 -0.513 12.6-139.9 -77.9 136.2 -22.5 3.8 -6.5 102 107 A R E +H 192 0B 1 126,-2.1 126,-0.4 90,-0.2 90,-0.2 -0.896 38.6 167.1-100.0 114.7 -20.9 6.1 -3.9 103 108 A V E -H 191 0B 0 88,-2.6 88,-2.1 -2,-0.7 2,-0.6 -0.464 38.3 -91.1-123.8-178.8 -18.7 8.5 -5.8 104 109 A L E -HI 190 218B 0 114,-2.8 114,-2.4 86,-0.2 2,-0.4 -0.915 26.6-149.9-104.0 119.9 -16.7 11.7 -5.5 105 110 A Y E -HI 189 217B 0 84,-2.9 84,-1.7 -2,-0.6 2,-0.4 -0.779 24.8-169.8 -79.7 137.1 -18.4 15.0 -6.4 106 111 A V E -HI 188 216B 0 110,-2.5 110,-2.5 -2,-0.4 82,-0.2 -0.991 33.0 -98.2-136.1 134.7 -15.6 17.3 -7.7 107 112 A E E > - I 0 215B 57 80,-2.4 3,-2.1 -2,-0.4 108,-0.2 -0.292 49.1-113.5 -48.4 134.9 -15.6 21.0 -8.6 108 113 A K T 3 S+ 0 0 95 106,-2.3 -1,-0.1 1,-0.3 107,-0.1 0.724 109.5 36.1 -56.6 -29.5 -16.0 20.9 -12.3 109 114 A D T 3 S+ 0 0 106 105,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.337 83.1 127.1-107.8 6.8 -12.6 22.3 -13.3 110 115 A L < - 0 0 40 -3,-2.1 2,-1.6 77,-0.1 -4,-0.0 -0.416 68.9-118.2 -64.1 136.2 -10.5 20.6 -10.6 111 116 A K S S+ 0 0 205 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.632 73.5 118.9 -76.5 89.8 -7.5 18.7 -12.0 112 117 A L + 0 0 28 -2,-1.6 3,-0.1 1,-0.1 -2,-0.1 -0.779 25.9 164.4-157.8 106.7 -8.6 15.3 -10.7 113 118 A D + 0 0 144 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.624 68.7 14.6-103.6 -18.6 -9.3 12.5 -13.1 114 119 A S - 0 0 53 104,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.931 62.5-171.1-150.2 170.0 -9.2 9.4 -10.9 115 120 A F - 0 0 5 104,-0.4 106,-1.6 -2,-0.3 2,-0.4 -0.967 18.3-144.4-165.8 141.2 -9.3 8.7 -7.1 116 121 A R B > -l 221 0C 90 -2,-0.3 3,-2.0 104,-0.3 4,-0.4 -0.898 32.8-121.2-101.6 147.6 -8.9 5.9 -4.6 117 122 A Y G > S+ 0 0 1 104,-2.0 3,-1.9 -2,-0.4 4,-0.2 0.912 114.2 61.0 -54.0 -39.3 -11.2 6.0 -1.6 118 123 A G G > S+ 0 0 43 103,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.739 88.2 73.2 -58.6 -24.1 -8.1 6.1 0.6 119 124 A D G X S+ 0 0 49 -3,-2.0 3,-2.0 1,-0.3 -1,-0.3 0.722 77.7 76.4 -65.6 -20.6 -7.1 9.4 -1.1 120 125 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.767 91.0 55.4 -63.2 -22.5 -9.8 11.3 0.8 121 126 A A G < S+ 0 0 23 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.441 75.6 128.0 -89.2 0.3 -7.6 11.1 3.9 122 127 A D X - 0 0 64 -3,-2.0 3,-2.5 1,-0.2 4,-0.1 -0.375 67.5-127.8 -58.5 130.7 -4.6 12.8 2.2 123 128 A P G > S+ 0 0 107 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.748 103.8 71.2 -49.5 -27.7 -3.5 15.7 4.4 124 129 A K G 3 S+ 0 0 137 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.686 87.5 63.7 -66.9 -17.3 -3.7 18.0 1.3 125 130 A W G X S+ 0 0 19 -3,-2.5 3,-2.5 -6,-0.2 4,-0.3 0.342 71.8 141.8 -88.3 10.8 -7.5 17.9 1.3 126 131 A K T < S+ 0 0 152 -3,-1.7 39,-0.2 1,-0.3 40,-0.1 -0.264 77.6 4.0 -58.3 128.3 -7.7 19.6 4.7 127 132 A G T 3 S+ 0 0 39 38,-0.4 -1,-0.3 37,-0.2 39,-0.2 0.567 115.9 88.7 78.2 9.4 -10.6 22.0 4.8 128 133 A K < + 0 0 87 -3,-2.5 59,-2.3 37,-0.7 60,-2.1 0.325 62.8 91.1-122.5 2.9 -11.7 20.8 1.3 129 134 A V E -jk 166 188B 0 36,-1.6 38,-3.1 -4,-0.3 39,-0.6 -0.896 47.9-167.9-112.2 132.4 -14.0 17.8 1.9 130 135 A a E + k 0 189B 0 58,-2.1 60,-1.0 -2,-0.4 2,-0.3 -0.944 19.2 152.8-111.9 141.8 -17.8 17.7 2.3 131 136 A I - 0 0 3 -2,-0.4 40,-0.8 37,-0.2 3,-0.1 -0.973 37.7-117.4-158.8 149.9 -19.7 14.7 3.5 132 137 A R - 0 0 38 58,-0.4 41,-0.1 -2,-0.3 40,-0.1 -0.244 67.3 -43.7 -76.3 177.5 -22.9 13.9 5.4 133 138 A S > - 0 0 28 39,-0.4 3,-1.6 1,-0.2 6,-0.3 -0.099 47.8-134.3 -43.5 133.6 -23.0 12.1 8.8 134 139 A G T 3 S+ 0 0 2 1,-0.3 -1,-0.2 36,-0.2 9,-0.1 0.681 105.5 59.4 -64.3 -18.2 -20.7 9.2 9.1 135 140 A Q T 3 S+ 0 0 61 4,-0.1 -1,-0.3 173,-0.1 -2,-0.1 0.491 76.7 113.3 -89.0 -6.3 -23.5 7.2 10.6 136 141 A H S X> S- 0 0 44 -3,-1.6 4,-2.4 1,-0.1 3,-1.4 -0.435 80.1-117.8 -64.3 138.9 -25.8 7.6 7.6 137 142 A P H 3> S+ 0 0 62 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.809 113.0 59.9 -47.3 -35.1 -26.4 4.2 6.0 138 143 A Y H 3> S+ 0 0 39 1,-0.2 4,-0.9 2,-0.2 -4,-0.1 0.886 113.1 38.4 -62.8 -35.9 -24.7 5.4 2.7 139 144 A N H <> S+ 0 0 6 -3,-1.4 4,-2.5 -6,-0.3 -1,-0.2 0.867 111.8 54.1 -82.4 -39.8 -21.5 6.0 4.6 140 145 A T H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.875 106.8 54.8 -64.8 -32.0 -21.6 3.0 7.0 141 146 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.909 109.6 46.4 -62.6 -41.1 -22.0 0.7 4.0 142 147 A L H X S+ 0 0 1 -4,-0.9 4,-2.2 -5,-0.2 -2,-0.2 0.921 112.8 49.0 -67.6 -42.4 -18.8 2.3 2.5 143 148 A V H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.900 109.1 53.7 -62.7 -40.5 -16.9 2.0 5.7 144 149 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.915 109.1 48.2 -60.8 -44.1 -18.0 -1.6 6.1 145 150 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 108.8 54.7 -61.2 -39.9 -16.7 -2.4 2.6 146 151 A M H X>S+ 0 0 3 -4,-2.2 4,-3.3 2,-0.2 5,-0.6 0.891 107.2 49.6 -63.9 -38.0 -13.4 -0.7 3.5 147 152 A I H X5S+ 0 0 8 -4,-2.2 4,-2.2 3,-0.2 -2,-0.2 0.952 110.2 51.3 -63.5 -45.6 -13.0 -2.9 6.6 148 153 A A H <5S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 121.4 33.0 -56.5 -44.0 -13.6 -6.0 4.4 149 154 A H H <5S+ 0 0 68 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.927 136.7 16.3 -75.6 -50.4 -11.0 -4.8 1.9 150 155 A D H <5S- 0 0 85 -4,-3.3 4,-0.5 -5,-0.2 -3,-0.2 0.523 101.8-114.6-113.3 -10.5 -8.4 -3.1 4.1 151 156 A G X< - 0 0 29 -4,-2.2 4,-2.0 -5,-0.6 -1,-0.2 -0.009 34.6 -75.7 89.9 165.0 -9.0 -4.1 7.7 152 157 A A H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.847 124.8 54.8 -68.8 -37.2 -10.1 -2.2 10.8 153 158 A E H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 112.3 42.1 -64.8 -47.8 -6.8 -0.5 11.5 154 159 A A H > S+ 0 0 44 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.891 114.8 52.5 -65.4 -39.4 -6.5 1.1 8.0 155 160 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.910 107.9 50.1 -65.2 -42.5 -10.2 2.0 8.0 156 161 A E H X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.922 110.6 50.1 -59.9 -42.1 -9.9 3.8 11.4 157 162 A K H X S+ 0 0 131 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.834 110.7 49.9 -67.2 -33.5 -6.9 5.8 10.1 158 163 A W H X S+ 0 0 15 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.936 110.1 50.3 -66.7 -47.7 -8.9 6.7 7.0 159 164 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.909 111.4 47.8 -59.6 -42.7 -11.9 7.8 9.1 160 165 A R H X S+ 0 0 114 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.895 113.5 48.5 -64.7 -40.4 -9.6 10.0 11.3 161 166 A G H X S+ 0 0 18 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.907 113.3 46.0 -65.5 -44.4 -8.0 11.5 8.2 162 167 A V H >X S+ 0 0 0 -4,-2.9 3,-0.8 2,-0.2 4,-0.7 0.938 111.3 52.1 -64.1 -47.1 -11.2 12.3 6.5 163 168 A K H >< S+ 0 0 71 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.936 108.6 51.8 -52.8 -45.6 -12.7 13.7 9.7 164 169 A A H 3< S+ 0 0 59 -4,-2.2 -1,-0.3 1,-0.3 -37,-0.2 0.769 109.7 51.6 -62.4 -26.2 -9.6 16.0 10.0 165 170 A N H << S+ 0 0 5 -4,-1.0 -36,-1.6 -3,-0.8 -37,-0.7 0.483 79.3 124.0 -90.4 -6.2 -10.2 17.1 6.4 166 171 A L B << -j 129 0B 29 -3,-1.4 -36,-0.2 -4,-0.7 -39,-0.1 -0.333 49.5-155.7 -65.3 137.8 -13.9 18.1 6.7 167 172 A A S S+ 0 0 35 -38,-3.1 2,-0.3 1,-0.2 -1,-0.1 0.711 81.2 1.1 -80.6 -24.7 -14.8 21.7 5.6 168 173 A R S S- 0 0 54 -39,-0.6 -37,-0.2 -37,-0.1 -1,-0.2 -0.940 102.8 -60.2-154.2 169.7 -17.9 21.6 7.8 169 174 A K - 0 0 147 -2,-0.3 2,-1.2 1,-0.1 -38,-0.2 -0.178 57.7-102.2 -59.7 146.8 -19.6 19.1 10.2 170 175 A A S S+ 0 0 3 143,-0.4 2,-0.3 -38,-0.1 -38,-0.3 -0.609 82.3 104.5 -70.6 99.4 -20.7 15.8 8.8 171 176 A A + 0 0 25 -2,-1.2 -40,-0.1 -40,-0.8 2,-0.1 -0.911 41.8 51.9-163.2-180.0 -24.4 16.5 8.5 172 177 A G S S- 0 0 46 -2,-0.3 -39,-0.4 -40,-0.1 2,-0.2 -0.387 84.4 -60.9 74.8-157.4 -27.1 17.3 5.9 173 178 A G - 0 0 16 -41,-0.1 4,-0.5 -2,-0.1 -2,-0.1 -0.575 45.9 -92.5-122.5-176.1 -27.6 15.3 2.8 174 179 A D S >> S+ 0 0 4 1,-0.2 3,-1.5 -2,-0.2 4,-0.7 0.903 120.6 53.1 -69.3 -40.5 -25.8 14.1 -0.3 175 180 A R H >> S+ 0 0 109 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.818 95.4 70.0 -69.3 -25.7 -26.9 17.0 -2.6 176 181 A D H 3> S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.768 90.2 64.2 -54.9 -27.5 -25.7 19.5 0.1 177 182 A V H <> S+ 0 0 0 -3,-1.5 4,-1.8 -4,-0.5 -1,-0.2 0.945 104.4 44.2 -63.0 -44.3 -22.2 18.3 -1.0 178 183 A A H S+ 0 0 8 -4,-2.4 5,-2.2 2,-0.2 6,-1.2 0.785 108.8 53.1 -78.9 -26.6 -21.2 23.4 -0.9 181 186 A I H ><5S+ 0 0 5 -4,-1.8 3,-1.5 4,-0.2 -1,-0.2 0.940 110.9 48.1 -65.6 -48.0 -18.8 22.8 -3.8 182 187 A L H 3<5S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.914 110.1 53.3 -53.1 -43.4 -20.7 25.4 -5.8 183 188 A G T 3<5S- 0 0 58 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.491 114.4-118.4 -75.9 -3.8 -20.4 27.7 -2.7 184 189 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.601 81.8 120.8 77.7 11.0 -16.6 27.2 -2.6 185 190 A I S > -H 102 0B 5 -2,-0.3 3,-1.0 -90,-0.2 4,-0.5 -0.510 31.1-136.3 -77.3 138.2 -24.2 9.0 -4.4 193 198 A A H >> S+ 0 0 2 -92,-2.5 3,-1.5 1,-0.2 4,-1.3 0.825 97.8 67.2 -57.0 -37.5 -24.0 9.2 -8.2 194 199 A Y H 3> S+ 0 0 3 -93,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.830 91.6 62.1 -62.0 -28.8 -27.7 9.0 -8.8 195 200 A Y H <> S+ 0 0 25 -3,-1.0 4,-2.6 1,-0.2 -1,-0.3 0.820 100.8 53.7 -62.5 -29.7 -28.2 12.4 -7.1 196 201 A V H < S+ 0 0 3 -4,-2.6 3,-1.1 1,-0.2 13,-0.3 0.925 114.8 46.1 -71.2 -45.3 -29.4 17.5 -10.5 200 205 A K H 3< S+ 0 0 47 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 112.4 52.2 -71.0 -23.8 -27.9 17.5 -14.0 201 206 A N T 3< S+ 0 0 63 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.493 87.2 106.3 -85.7 -6.2 -31.2 16.5 -15.6 202 207 A A S < S- 0 0 21 -3,-1.1 3,-0.1 -4,-0.4 4,-0.1 -0.400 82.2 -98.8 -69.1 153.1 -33.0 19.3 -13.8 203 208 A E > - 0 0 144 1,-0.1 3,-1.1 2,-0.1 6,-0.4 -0.413 40.4 -95.8 -74.4 146.2 -34.0 22.2 -16.0 204 209 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.322 111.3 49.5 -53.9 143.2 -31.9 25.4 -16.2 205 210 A G T 3 S+ 0 0 90 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.455 90.4 103.8 97.8 0.7 -33.4 28.0 -13.9 206 211 A T S <> S- 0 0 48 -3,-1.1 4,-1.7 1,-0.1 -1,-0.4 -0.866 76.1-129.7-105.9 150.8 -33.5 25.6 -11.0 207 212 A D H > S+ 0 0 115 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.893 109.8 61.9 -61.0 -36.0 -31.1 25.5 -8.0 208 213 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 105.3 44.4 -56.8 -46.0 -30.8 21.8 -8.7 209 214 A R H > S+ 0 0 70 -6,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.856 110.0 55.8 -69.5 -32.6 -29.4 22.4 -12.2 210 215 A K H X S+ 0 0 112 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.923 110.8 44.6 -63.6 -42.8 -27.1 25.1 -10.8 211 216 A W H < S+ 0 0 55 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.908 113.4 51.3 -65.1 -42.2 -25.6 22.6 -8.3 212 217 A G H >< S+ 0 0 0 -4,-2.3 3,-1.3 -13,-0.3 -2,-0.2 0.916 107.9 51.6 -61.7 -43.8 -25.4 19.9 -11.0 213 218 A D H 3< S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.744 101.8 63.5 -65.5 -22.8 -23.5 22.2 -13.4 214 219 A A T 3< S+ 0 0 10 -4,-1.0 -106,-2.3 -3,-0.4 2,-0.3 0.637 104.3 47.4 -75.7 -16.1 -21.0 23.1 -10.7 215 220 A I E < -I 107 0B 1 -3,-1.3 2,-0.3 -4,-0.5 -108,-0.2 -0.798 56.3-156.3-130.0 161.3 -19.7 19.5 -10.4 216 221 A K E -I 106 0B 66 -110,-2.5 -110,-2.5 -2,-0.3 2,-0.4 -0.885 27.9-115.9-124.4 165.1 -18.4 16.5 -12.1 217 222 A V E -I 105 0B 20 -2,-0.3 2,-0.4 -112,-0.2 -112,-0.2 -0.872 23.5-178.0-102.7 132.2 -18.3 12.9 -11.0 218 223 A V E -I 104 0B 12 -114,-2.4 -114,-2.8 -2,-0.4 -104,-0.1 -0.999 22.0-142.8-121.5 125.0 -15.1 10.9 -10.4 219 224 A R - 0 0 28 -2,-0.4 -104,-0.4 65,-0.3 -116,-0.1 -0.804 18.3-148.6 -88.5 110.1 -15.8 7.3 -9.4 220 225 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -104,-0.3 -0.318 9.6-152.6 -73.2 162.3 -13.2 6.2 -6.8 221 226 A T B -l 116 0C 30 -106,-1.6 -104,-2.0 6,-0.2 -103,-0.3 -0.881 18.5-133.9-125.6 163.9 -12.0 2.7 -6.5 222 227 A F 0 0 20 4,-1.7 -104,-0.2 -2,-0.3 -1,-0.1 0.954 360.0 360.0 -73.8 -56.1 -10.6 0.5 -3.7 223 228 A A 0 0 102 3,-0.1 -1,-0.2 -107,-0.1 3,-0.1 -0.498 360.0 360.0 61.8 360.0 -7.6 -1.1 -5.5 224 ! 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 0.0 225 233 A G 0 0 63 0, 0.0 2,-0.3 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 148.1 -10.0 -2.2 -8.1 226 234 A G - 0 0 6 -3,-0.1 -4,-1.7 61,-0.0 63,-0.2 -0.803 360.0 -99.2-129.1 164.3 -13.7 -1.3 -8.1 227 235 A T B -m 289 0D 3 61,-3.3 63,-2.6 -2,-0.3 2,-0.3 -0.566 42.2-107.0 -82.8 139.6 -16.2 1.3 -7.0 228 236 A H - 0 0 5 -126,-0.4 -126,-2.1 -8,-0.3 2,-0.4 -0.499 40.9-175.1 -65.3 125.6 -18.4 0.9 -4.0 229 237 A V E - F 0 101A 4 -2,-0.3 -128,-0.3 -128,-0.2 2,-0.2 -0.988 16.0-168.8-122.6 136.5 -22.0 0.1 -4.8 230 238 A N E - F 0 100A 7 -130,-2.6 -130,-3.1 -2,-0.4 2,-0.3 -0.543 26.4-144.7 -96.1-178.5 -25.0 -0.3 -2.6 231 239 A I E - F 0 99A 0 -132,-0.2 -173,-3.1 -2,-0.2 2,-0.3 -0.929 22.6-135.9-142.1 161.5 -28.2 -1.8 -4.1 232 240 A S E +CF 57 98A 0 -134,-1.7 -135,-2.9 -2,-0.3 -134,-1.3 -0.849 47.2 154.9-103.8 157.9 -31.9 -1.9 -4.4 233 241 A G E -CF 56 96A 1 -177,-2.7 -177,-2.4 -2,-0.3 2,-0.3 -0.959 28.6-138.4-169.2-178.5 -33.1 -5.5 -4.6 234 242 A A E -CF 55 95A 0 -139,-2.3 -139,-2.4 -2,-0.3 2,-0.3 -0.953 5.6-168.0-153.8 166.7 -35.8 -8.0 -4.1 235 243 A A E -C 54 0A 1 -181,-1.8 -181,-3.2 -2,-0.3 2,-0.4 -0.967 35.4-100.3-154.1 156.3 -36.7 -11.5 -2.9 236 244 A V E -CD 53 72A 1 -164,-0.5 -164,-2.3 -144,-0.3 -183,-0.3 -0.692 48.4-110.1 -81.5 133.8 -39.7 -13.8 -3.0 237 245 A A E > - D 0 71A 2 -185,-2.4 3,-1.7 -2,-0.4 -166,-0.3 -0.331 22.4-116.4 -67.0 147.1 -41.7 -13.8 0.2 238 246 A A T 3 S+ 0 0 22 -168,-1.9 -167,-0.2 1,-0.3 -1,-0.1 0.817 113.2 29.4 -53.5 -37.2 -41.6 -16.9 2.4 239 247 A H T 3 S+ 0 0 91 -169,-0.3 -1,-0.3 -188,-0.2 -2,-0.1 -0.001 80.2 170.1-117.2 27.3 -45.3 -17.6 2.0 240 248 A A X - 0 0 14 -3,-1.7 3,-0.6 -188,-0.2 -188,-0.2 -0.146 22.7-158.3 -41.5 116.1 -46.0 -16.2 -1.4 241 249 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.662 92.9 40.9 -74.5 -16.0 -49.5 -17.3 -2.4 242 250 A N T 3> S+ 0 0 40 -192,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.537 72.9 158.7-125.7 62.6 -48.7 -16.7 -6.1 243 251 A K H <> S+ 0 0 86 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.879 71.6 51.1 -61.4 -43.5 -45.2 -18.2 -6.2 244 252 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 114.6 44.7 -59.6 -42.8 -45.0 -18.9 -9.9 245 253 A N H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.851 109.3 57.1 -69.5 -34.2 -46.2 -15.3 -10.6 246 254 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.908 109.2 44.9 -60.7 -45.5 -43.7 -13.9 -8.0 247 255 A V H X S+ 0 0 23 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.914 111.7 53.4 -67.3 -40.4 -40.9 -15.6 -9.9 248 256 A K H X S+ 0 0 115 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.927 111.0 46.5 -57.5 -44.1 -42.3 -14.3 -13.2 249 257 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.940 113.0 47.9 -65.8 -46.3 -42.3 -10.8 -11.8 250 258 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.913 112.3 49.4 -61.4 -41.9 -38.8 -11.0 -10.4 251 259 A E H >< S+ 0 0 51 -4,-3.0 3,-0.8 1,-0.2 4,-0.3 0.898 110.1 52.2 -61.8 -39.5 -37.5 -12.4 -13.7 252 260 A Y H >< S+ 0 0 38 -4,-2.2 3,-1.9 -5,-0.3 6,-0.4 0.901 99.7 63.0 -62.5 -39.9 -39.3 -9.5 -15.4 253 261 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.726 106.6 44.5 -62.0 -19.9 -37.6 -7.0 -13.2 254 262 A V T << S+ 0 0 0 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.371 89.4 112.3-104.0 4.8 -34.2 -8.0 -14.5 255 263 A S S <> S- 0 0 28 -3,-1.9 4,-2.8 -4,-0.3 5,-0.2 -0.299 81.3-110.2 -69.9 159.9 -35.3 -8.1 -18.2 256 264 A E H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 115.3 47.6 -62.2 -50.3 -33.8 -5.5 -20.5 257 265 A P H > S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.919 117.0 43.2 -56.6 -42.6 -37.0 -3.4 -21.0 258 266 A A H > S+ 0 0 0 -6,-0.4 4,-3.3 1,-0.2 -2,-0.2 0.917 113.1 51.6 -70.0 -42.5 -37.8 -3.4 -17.2 259 267 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 -7,-0.2 5,-0.4 0.859 105.9 55.8 -61.1 -37.7 -34.2 -2.6 -16.2 260 268 A T H X S+ 0 0 40 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.956 116.7 35.4 -59.2 -50.7 -34.1 0.3 -18.6 261 269 A L H X S+ 0 0 88 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.877 115.7 56.0 -68.8 -42.1 -37.1 1.9 -17.0 262 270 A Y H X S+ 0 0 4 -4,-3.3 4,-0.6 1,-0.2 6,-0.2 0.909 112.6 39.4 -60.9 -45.6 -36.2 0.7 -13.5 263 271 A A H ><>S+ 0 0 5 -4,-2.5 5,-2.1 1,-0.2 3,-0.8 0.916 112.3 56.0 -74.3 -40.8 -32.8 2.3 -13.4 264 272 A Q H ><5S+ 0 0 72 -4,-1.7 3,-0.9 -5,-0.4 -1,-0.2 0.841 94.1 72.6 -58.6 -32.5 -33.8 5.5 -15.2 265 273 A A H 3<5S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 117.9 13.7 -56.7 -43.3 -36.5 6.1 -12.6 266 274 A N T <<5S- 0 0 23 -3,-0.8 -1,-0.3 -4,-0.6 -68,-0.2 0.095 110.6-107.6-118.0 20.8 -34.1 7.2 -9.8 267 275 A Y T < 5S+ 0 0 49 -3,-0.9 -3,-0.2 -4,-0.5 -70,-0.2 0.790 72.0 146.6 57.8 32.0 -31.1 7.6 -12.1 268 276 A E < - 0 0 6 -5,-2.1 10,-0.3 -6,-0.2 -168,-0.2 -0.209 54.5 -97.8 -87.4 179.0 -29.5 4.5 -10.8 269 277 A Y E -G 99 0A 57 -170,-2.3 -170,-3.3 -3,-0.1 -1,-0.1 -0.889 38.3-119.3-105.6 129.6 -27.3 2.0 -12.6 270 278 A P E -G 98 0A 7 0, 0.0 -172,-0.2 0, 0.0 5,-0.1 -0.346 6.9-142.2 -68.8 150.3 -29.0 -1.1 -14.0 271 279 A V S S+ 0 0 11 -174,-1.1 2,-0.3 2,-0.1 -173,-0.1 0.817 80.1 83.4 -75.4 -32.9 -27.8 -4.5 -12.7 272 280 A R S > S- 0 0 75 -175,-0.3 3,-0.6 -17,-0.1 -189,-0.1 -0.563 84.9-118.3 -78.0 132.1 -28.2 -6.2 -16.2 273 281 A A T 3 S+ 0 0 89 -191,-0.4 -1,-0.1 -2,-0.3 -2,-0.1 -0.311 91.6 27.5 -63.1 148.7 -25.4 -5.8 -18.7 274 282 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.774 80.2 143.9 74.1 28.6 -26.1 -4.0 -21.9 275 283 A V < - 0 0 12 -3,-0.6 -1,-0.2 -5,-0.1 2,-0.1 -0.867 57.3-107.5-103.2 132.7 -28.9 -1.7 -20.7 276 284 A K - 0 0 166 -2,-0.4 2,-0.2 1,-0.1 3,-0.1 -0.359 38.7-144.5 -60.0 128.6 -29.2 1.8 -22.1 277 285 A L - 0 0 40 -2,-0.1 -8,-0.1 1,-0.1 -1,-0.1 -0.630 23.3 -94.5 -94.2 152.8 -28.2 4.3 -19.5 278 286 A D > - 0 0 17 -10,-0.3 4,-2.8 -2,-0.2 5,-0.2 -0.378 43.7-116.0 -52.7 143.3 -29.6 7.8 -18.8 279 287 A A H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.856 114.5 49.3 -60.7 -39.2 -27.3 10.2 -20.7 280 288 A V H > S+ 0 0 20 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.952 111.8 49.1 -62.9 -48.0 -26.1 11.9 -17.6 281 289 A V H >4 S+ 0 0 5 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.931 109.7 51.8 -57.6 -44.4 -25.3 8.6 -16.0 282 290 A A H >< S+ 0 0 50 -4,-2.8 3,-2.0 1,-0.3 -1,-0.2 0.871 99.7 65.2 -60.8 -34.4 -23.4 7.5 -19.1 283 291 A S H 3< S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.647 83.1 75.4 -63.7 -16.1 -21.4 10.7 -19.0 284 292 A F T << S- 0 0 24 -3,-1.6 -1,-0.3 -4,-0.5 -65,-0.3 0.592 103.0-130.1 -71.1 -11.2 -19.8 9.5 -15.7 285 293 A G < - 0 0 31 -3,-2.0 -1,-0.2 -4,-0.2 2,-0.0 -0.318 51.2 -12.1 91.9-175.5 -17.7 7.1 -17.8 286 294 A P - 0 0 125 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 -0.341 63.2-142.0 -64.6 136.4 -17.1 3.4 -17.4 287 295 A L - 0 0 27 -2,-0.0 2,-0.6 -61,-0.0 -2,-0.1 -0.895 11.5-167.2 -99.7 125.2 -18.2 1.8 -14.1 288 296 A K - 0 0 138 -2,-0.5 -61,-3.3 -69,-0.1 2,-0.4 -0.975 19.2-145.9-107.0 115.8 -16.0 -0.8 -12.6 289 297 A V B -m 227 0D 45 -2,-0.6 -61,-0.2 -63,-0.2 -68,-0.0 -0.684 24.3-103.2 -85.5 130.9 -18.1 -2.4 -9.8 290 298 A D - 0 0 10 -63,-2.6 -1,-0.1 -2,-0.4 4,-0.1 -0.271 23.6-141.5 -45.5 129.8 -16.3 -3.6 -6.7 291 299 A T + 0 0 121 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.629 65.7 119.8 -73.6 -13.1 -16.0 -7.4 -6.9 292 300 A L S S- 0 0 20 1,-0.1 2,-0.3 2,-0.1 5,-0.1 -0.228 78.4-110.4 -48.4 129.8 -16.6 -7.6 -3.2 293 301 A P > - 0 0 68 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.546 24.0-136.6 -60.6 125.8 -19.8 -9.6 -2.5 294 302 A V T >> S+ 0 0 5 -208,-2.3 3,-1.6 -2,-0.3 4,-0.8 0.758 99.4 76.0 -63.3 -19.8 -22.2 -6.9 -1.2 295 303 A A H 3> S+ 0 0 40 -209,-0.4 4,-1.7 1,-0.3 3,-0.4 0.800 83.0 68.7 -56.9 -27.9 -23.2 -9.3 1.6 296 304 A E H <> S+ 0 0 53 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.785 90.0 62.5 -59.1 -29.2 -19.9 -8.4 3.2 297 305 A I H <> S+ 0 0 2 -3,-1.6 4,-0.5 -4,-0.3 -1,-0.2 0.921 105.1 44.7 -64.1 -42.5 -21.3 -4.9 3.7 298 306 A A H >< S+ 0 0 29 -4,-0.8 3,-0.7 -3,-0.4 4,-0.4 0.882 110.0 57.0 -66.0 -38.0 -24.0 -6.3 6.0 299 307 A K H 3< S+ 0 0 141 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.873 117.5 31.8 -61.5 -40.1 -21.3 -8.5 7.7 300 308 A Y H 3X S+ 0 0 48 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.345 88.7 104.2-103.2 7.1 -19.2 -5.5 8.7 301 309 A R H S+ 0 0 150 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.926 113.9 50.4 -65.3 -45.2 -22.0 -2.8 13.0 303 311 A Q H > S+ 0 0 81 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.887 110.9 50.7 -55.7 -42.7 -18.2 -2.8 13.2 304 312 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.950 109.8 49.0 -61.8 -49.1 -18.2 0.1 10.7 305 313 A S H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.877 110.5 51.5 -58.8 -39.2 -20.7 2.1 12.7 306 314 A E H X S+ 0 0 100 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.886 108.5 50.8 -69.1 -35.9 -18.7 1.5 15.9 307 315 A L H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 107.6 53.2 -65.8 -40.0 -15.5 2.8 14.2 308 316 A V H <>S+ 0 0 2 -4,-2.3 5,-2.0 1,-0.2 4,-0.4 0.926 113.1 44.2 -60.9 -41.5 -17.3 5.9 13.1 309 317 A D H ><5S+ 0 0 124 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.907 108.5 57.9 -68.1 -41.8 -18.4 6.5 16.7 310 318 A K H 3<5S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 110.2 43.1 -54.3 -44.3 -14.9 5.7 18.1 311 319 A V T 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.519 106.6-126.3 -83.5 -4.7 -13.3 8.4 16.0 312 320 A G T X 5 + 0 0 11 -3,-1.1 3,-1.9 -4,-0.4 -3,-0.2 0.921 42.1 173.8 59.1 45.9 -16.1 11.0 16.7 313 321 A F T 3