==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 19-FEB-11 3QS6 . COMPND 2 MOLECULE: NA(+):NEUROTRANSMITTER SYMPORTER (SNF FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR C.L.PISCITELLI,E.GOUAUX . 510 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 78.8 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 . 5 1.0 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 0.2 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 5.9 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 3 1 5 2 0 0 1 1 0 2 1 3 1 0 0 1 0 0 1 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A R 0 0 108 0, 0.0 68,-0.0 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 129.3 34.6 24.2 23.0 2 6 A E - 0 0 50 1,-0.0 2,-0.3 262,-0.0 179,-0.0 -0.143 360.0-171.3 -56.8 145.3 34.9 21.9 20.0 3 7 A H - 0 0 59 262,-0.0 2,-0.4 261,-0.0 180,-0.3 -0.906 35.1 -90.6-131.2 162.5 31.9 21.5 17.7 4 8 A W - 0 0 6 259,-1.6 261,-0.2 -2,-0.3 6,-0.0 -0.636 34.3-147.6 -72.5 126.2 31.0 19.2 14.8 5 9 A A S S+ 0 0 75 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.891 74.0 17.7 -66.0 -43.0 32.2 21.0 11.6 6 10 A T > - 0 0 58 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.895 69.3-123.8-131.3 159.7 29.5 19.7 9.3 7 11 A R H > S+ 0 0 118 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.893 113.0 49.8 -68.3 -41.0 26.1 18.1 9.6 8 12 A L H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.942 109.6 50.7 -62.1 -49.3 27.1 15.1 7.5 9 13 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 109.7 51.3 -55.4 -44.6 30.2 14.5 9.6 10 14 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.959 110.0 48.7 -55.8 -54.2 28.2 14.6 12.7 11 15 A I H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.899 112.1 49.0 -53.3 -45.6 25.7 12.1 11.4 12 16 A L H X S+ 0 0 17 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.847 110.7 49.8 -67.3 -35.6 28.6 9.7 10.3 13 17 A A H X S+ 0 0 3 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.925 113.9 45.4 -66.4 -45.5 30.3 10.0 13.7 14 18 A M H X S+ 0 0 9 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.843 117.4 44.8 -64.9 -35.3 27.0 9.2 15.5 15 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.867 111.6 51.1 -76.7 -38.8 26.4 6.4 13.0 16 20 A G H < S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.754 107.1 58.7 -66.4 -24.4 30.0 5.2 13.3 17 21 A N H < S+ 0 0 0 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.952 115.6 30.6 -65.8 -51.8 29.3 5.3 17.1 18 22 A A H < S+ 0 0 4 -4,-1.5 2,-1.3 494,-0.2 -2,-0.2 0.807 103.7 81.0 -81.1 -32.7 26.4 2.9 16.9 19 23 A V S < S+ 0 0 0 -4,-2.9 330,-0.2 493,-0.2 2,-0.2 -0.625 70.9 108.5 -82.4 93.9 27.5 0.8 14.0 20 24 A G S >> S- 0 0 0 -2,-1.3 3,-1.9 229,-0.1 4,-1.1 -0.525 83.6 -41.5-141.4-154.1 30.0 -1.7 15.4 21 25 A L H 3>>S+ 0 0 7 1,-0.3 4,-2.4 2,-0.2 5,-1.2 0.767 125.4 65.4 -54.5 -27.6 30.8 -5.3 16.4 22 26 A G H 34>S+ 0 0 1 490,-3.4 5,-2.7 3,-0.2 -1,-0.3 0.824 99.8 51.2 -65.1 -32.4 27.3 -5.4 17.8 23 27 A N H <45S+ 0 0 0 -3,-1.9 -1,-0.2 489,-0.5 -2,-0.2 0.885 123.4 26.0 -70.2 -40.5 25.9 -5.1 14.3 24 28 A F H <5S+ 0 0 0 -4,-1.1 -2,-0.2 3,-0.1 -1,-0.1 0.545 136.2 24.8-108.1 -10.7 27.9 -7.8 12.7 25 29 A L T X5S+ 0 0 14 -4,-2.4 4,-1.2 -5,-0.2 -3,-0.2 0.721 124.6 37.5-114.5 -54.7 28.6 -10.1 15.6 26 30 A R H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.922 115.2 46.6 -54.2 -47.0 23.0 -12.4 14.2 29 33 A V H X S+ 0 0 7 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.914 115.2 46.4 -60.2 -45.1 23.8 -14.5 17.2 30 34 A Q H < S+ 0 0 34 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.896 113.6 48.6 -64.2 -41.5 21.0 -12.9 19.2 31 35 A A H <>S+ 0 0 4 -4,-3.3 5,-2.4 -5,-0.3 8,-0.3 0.820 113.7 47.5 -68.3 -31.5 18.5 -13.2 16.3 32 36 A A H ><5S+ 0 0 1 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.885 104.2 56.6 -79.5 -41.7 19.4 -16.9 15.8 33 37 A E T 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.616 109.4 51.8 -63.9 -11.0 19.2 -18.0 19.5 34 38 A N T 3 5S- 0 0 19 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.114 125.3 -93.0-118.3 19.8 15.7 -16.7 19.4 35 39 A G T < 5 - 0 0 34 -3,-1.6 2,-1.4 3,-0.2 3,-0.5 0.569 52.8-109.3 83.5 9.8 14.2 -18.5 16.3 36 40 A G S >> S+ 0 0 1 187,-1.5 4,-1.4 -2,-1.4 -1,-0.3 0.787 110.5 61.2 -65.3 -29.4 11.6 -14.2 13.1 38 42 A A H 34 S+ 0 0 2 -3,-0.5 -1,-0.3 1,-0.2 -3,-0.2 0.842 107.2 46.8 -63.3 -32.8 10.4 -14.7 16.7 39 43 A F H <> S+ 0 0 0 -3,-0.8 4,-1.5 -8,-0.3 -2,-0.2 0.785 104.2 62.9 -78.2 -29.5 13.2 -12.3 17.7 40 44 A M H X S+ 0 0 11 -4,-1.2 4,-2.3 185,-0.3 5,-0.2 0.890 95.8 55.8 -66.9 -43.4 12.4 -9.7 15.1 41 45 A I H X S+ 0 0 48 -4,-1.4 4,-1.8 1,-0.2 3,-0.2 0.947 113.5 39.1 -58.0 -53.6 8.9 -8.8 16.2 42 46 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.840 112.5 60.9 -63.9 -31.0 9.9 -7.8 19.8 43 47 A Y H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.886 105.1 46.1 -62.2 -41.1 13.0 -6.3 18.2 44 48 A I H X S+ 0 0 85 -4,-2.3 4,-1.2 -3,-0.2 -1,-0.2 0.902 112.0 50.7 -68.2 -42.3 10.9 -3.8 16.2 45 49 A I H X S+ 0 0 60 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.873 109.0 51.8 -63.9 -38.5 8.7 -2.9 19.1 46 50 A A H X>S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-1.9 0.899 104.2 57.2 -64.3 -41.2 11.8 -2.2 21.3 47 51 A F H <>S+ 0 0 36 -4,-1.6 5,-2.0 3,-0.2 -1,-0.2 0.820 114.3 38.9 -59.8 -32.4 13.2 0.1 18.6 48 52 A L H <5S+ 0 0 80 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.898 122.6 37.3 -85.4 -45.6 10.0 2.2 18.8 49 53 A L H <5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.659 139.7 4.6 -84.6 -17.2 9.2 2.2 22.5 50 54 A V T X>S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 5,-0.5 0.617 121.3 55.7-129.3 -65.2 12.8 2.4 23.7 51 55 A G H >5S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.971 116.5 42.7 -53.6 -59.7 12.6 7.7 22.5 54 58 A L H X5S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.816 107.5 64.5 -55.7 -33.3 15.8 7.3 24.6 55 59 A M H X<>S+ 0 0 0 -4,-3.3 5,-1.6 1,-0.2 3,-0.6 0.835 110.7 61.4 -72.0 -34.5 24.7 20.1 28.9 66 70 A G H ><5S+ 0 0 5 -4,-2.2 3,-1.9 -5,-0.4 -1,-0.2 0.875 95.7 61.3 -59.7 -39.7 27.1 20.9 26.1 67 71 A A H 3<5S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.855 103.8 50.0 -54.8 -37.5 25.9 24.5 25.9 68 72 A Q T <<5S- 0 0 97 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.049 129.1 -93.5 -96.0 25.4 27.0 25.0 29.5 69 73 A G T < 5S+ 0 0 33 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.837 89.4 116.7 71.3 36.2 30.5 23.6 29.0 70 74 A H < + 0 0 41 -5,-1.6 -1,-0.2 -8,-0.2 -2,-0.2 -0.999 32.8 172.1-138.4 138.4 29.7 20.0 30.0 71 75 A G + 0 0 0 -2,-0.4 2,-0.3 289,-0.2 191,-0.2 0.278 60.2 74.3-125.7 8.5 29.8 16.8 28.0 72 76 A T S > S- 0 0 1 288,-0.1 4,-2.5 -7,-0.1 3,-0.3 -0.902 76.5-121.3-129.5 157.0 29.3 14.2 30.7 73 77 A T H > S+ 0 0 2 -2,-0.3 4,-3.4 17,-0.2 5,-0.4 0.798 104.1 64.6 -67.7 -34.4 26.5 12.9 32.9 74 78 A P H > S+ 0 0 5 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.943 116.1 31.8 -53.9 -46.3 27.9 13.6 36.3 75 79 A A H > S+ 0 0 15 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.897 121.7 50.1 -75.6 -43.4 27.8 17.3 35.5 76 80 A I H >X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.6 0.917 107.6 52.2 -63.8 -46.8 24.7 17.1 33.3 77 81 A F H 3X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.3 -1,-0.2 0.884 106.7 55.4 -55.1 -39.7 22.6 15.2 35.8 78 82 A Y H 3< S+ 0 0 49 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.2 0.827 107.4 49.9 -63.8 -32.0 23.5 17.8 38.3 79 83 A L H << S+ 0 0 36 -4,-1.2 3,-0.3 -3,-0.6 -2,-0.2 0.890 116.0 40.2 -72.9 -41.3 22.1 20.5 35.9 80 84 A L H < S+ 0 0 9 -4,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.715 134.7 22.8 -78.2 -22.1 18.8 18.6 35.4 81 85 A W S < S- 0 0 66 -4,-2.2 2,-2.0 -5,-0.3 -1,-0.3 -0.768 75.8-147.2-150.2 95.8 18.7 17.7 39.1 82 86 A R + 0 0 153 -3,-0.3 2,-0.3 -2,-0.3 -4,-0.1 -0.433 57.0 116.3 -68.9 82.9 20.6 19.8 41.6 83 87 A N S > S- 0 0 66 -2,-2.0 4,-0.9 1,-0.1 3,-0.3 -0.993 70.2-129.0-151.3 145.8 21.5 17.1 44.1 84 88 A R H > S+ 0 0 128 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.769 112.8 55.3 -66.9 -24.8 24.8 15.5 45.3 85 89 A F H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.829 97.9 61.9 -75.0 -33.2 23.3 12.1 44.5 86 90 A A H > S+ 0 0 0 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.806 103.5 51.0 -61.5 -30.0 22.7 13.1 40.9 87 91 A K H < S+ 0 0 28 -4,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.848 109.9 48.6 -74.9 -35.5 26.4 13.6 40.6 88 92 A I H >< S+ 0 0 67 -4,-1.0 3,-0.8 1,-0.2 4,-0.3 0.866 110.2 50.9 -72.6 -37.4 27.1 10.2 42.0 89 93 A L H >< S+ 0 0 36 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.823 103.2 61.3 -66.7 -31.5 24.6 8.5 39.7 90 94 A G T >< S+ 0 0 0 -4,-1.1 3,-1.4 1,-0.2 -17,-0.2 0.658 82.2 82.1 -69.5 -16.0 26.3 10.3 36.8 91 95 A V T X> S+ 0 0 1 -3,-0.8 4,-2.6 -4,-0.4 3,-1.8 0.823 81.7 62.9 -59.8 -31.7 29.5 8.4 37.6 92 96 A F H <> S+ 0 0 69 -3,-1.1 4,-2.6 -4,-0.3 -1,-0.3 0.810 89.0 70.1 -60.8 -29.3 28.1 5.5 35.6 93 97 A G H <4 S+ 0 0 1 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.619 112.6 29.2 -64.3 -12.6 28.1 7.8 32.6 94 98 A L H <> S+ 0 0 1 -3,-1.8 4,-1.3 -4,-0.2 -2,-0.2 0.666 121.3 52.5-110.1 -37.6 31.9 7.5 32.8 95 99 A W H X S+ 0 0 19 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.944 106.4 50.3 -67.5 -51.8 32.2 4.0 34.3 96 100 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.928 114.3 41.6 -56.9 -53.2 30.0 2.1 31.9 97 101 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.835 116.4 51.5 -66.3 -30.0 31.7 3.4 28.6 98 102 A L H X S+ 0 0 1 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.898 111.9 44.8 -72.4 -42.3 35.1 3.0 30.2 99 103 A V H X S+ 0 0 0 -4,-2.9 4,-1.0 2,-0.2 5,-0.2 0.921 113.0 51.6 -66.1 -45.0 34.5 -0.6 31.3 100 104 A V H >X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 3,-0.6 0.909 107.2 53.6 -57.1 -44.4 33.0 -1.4 28.0 101 105 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.4 0.896 97.1 67.3 -57.4 -42.4 36.0 -0.0 26.2 102 106 A I H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.847 117.3 21.6 -48.8 -43.6 38.3 -2.2 28.3 103 107 A Y H S+ 0 0 3 -5,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.908 108.5 45.3 -74.3 -43.9 40.6 -5.9 22.8 107 111 A I H X S+ 0 0 13 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.871 111.4 56.3 -63.3 -36.5 38.0 -7.7 20.7 108 112 A E H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.907 101.8 54.3 -59.1 -44.6 38.6 -5.0 18.2 109 113 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.777 101.4 61.6 -63.6 -26.8 42.3 -5.7 18.1 110 114 A W H X S+ 0 0 9 -4,-1.1 4,-2.8 -3,-0.3 5,-0.3 0.961 101.8 49.5 -60.3 -53.1 41.4 -9.3 17.3 111 115 A T H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.852 112.0 49.8 -56.6 -36.3 39.8 -8.3 14.0 112 116 A L H X S+ 0 0 22 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.895 111.8 47.7 -67.8 -41.0 42.9 -6.3 13.2 113 117 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.827 115.7 44.1 -70.2 -33.5 45.1 -9.2 14.0 114 118 A F H X S+ 0 0 2 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.886 110.5 55.0 -76.3 -42.1 42.9 -11.6 11.9 115 119 A A H X S+ 0 0 4 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.950 112.2 43.9 -53.3 -53.0 42.7 -9.0 9.1 116 120 A I H X S+ 0 0 68 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.962 114.7 47.6 -57.5 -56.6 46.5 -8.8 8.9 117 121 A K H <>S+ 0 0 52 -4,-1.8 5,-2.5 1,-0.2 4,-0.4 0.887 114.4 47.9 -53.4 -42.9 47.1 -12.5 9.1 118 122 A F H <5S+ 0 0 5 -4,-3.1 3,-0.3 3,-0.2 -1,-0.2 0.866 108.9 53.8 -68.6 -37.4 44.4 -13.2 6.5 119 123 A L H <5S+ 0 0 102 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.977 112.9 41.8 -58.3 -56.9 45.8 -10.5 4.1 120 124 A V T <5S- 0 0 102 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.537 116.2-120.3 -70.2 -6.0 49.3 -12.1 4.2 121 125 A G T 5 + 0 0 37 -4,-0.4 2,-1.8 -5,-0.3 -3,-0.2 0.697 63.2 147.6 75.2 19.7 47.6 -15.4 4.0 122 126 A L < + 0 0 109 -5,-2.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.503 36.5 117.5 -84.4 68.5 49.0 -16.7 7.2 123 127 A V - 0 0 23 -2,-1.8 2,-0.1 -5,-0.1 16,-0.1 -0.805 69.5 -88.6-129.8 168.0 45.9 -18.8 8.0 124 128 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 15,-0.0 -0.375 33.8-147.6 -74.1 160.4 45.0 -22.5 8.5 125 129 A E - 0 0 134 -2,-0.1 199,-0.0 13,-0.0 10,-0.0 -0.900 4.1-153.9-137.8 106.1 44.0 -24.7 5.5 126 130 A P - 0 0 9 0, 0.0 9,-0.1 0, 0.0 8,-0.0 -0.537 26.7-112.3 -76.7 142.5 41.5 -27.5 5.8 127 131 A P 0 0 86 0, 0.0 7,-0.0 0, 0.0 -2,-0.0 -0.515 360.0 360.0 -78.6 141.2 41.7 -30.4 3.2 128 132 A P 0 0 139 0, 0.0 7,-0.0 0, 0.0 200,-0.0 -0.083 360.0 360.0 -68.6 360.0 39.0 -31.0 0.6 129 ! 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 0.0 130 135 A T 0 0 117 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.3 35.3 -32.3 3.8 131 136 A D > - 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19.2 250 255 A L H <5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.530 107.2-126.7 -82.2 -5.4 22.2 2.1 19.6 251 256 A S T ><5 + 0 0 0 -4,-0.8 3,-0.7 -3,-0.3 6,-0.6 0.804 52.3 162.2 66.7 31.2 24.8 2.6 22.4 252 257 A L T 3 < + 0 0 0 -5,-1.8 -1,-0.2 -6,-0.3 159,-0.2 -0.494 51.9 24.1 -86.4 152.7 22.1 3.8 24.7 253 258 A G T 3 S+ 0 0 0 157,-0.2 157,-0.2 -2,-0.2 -1,-0.2 0.620 99.0 93.1 72.4 13.1 22.4 4.0 28.5 254 259 A V S < S- 0 0 0 -3,-0.7 -2,-0.1 -7,-0.1 -158,-0.1 0.657 90.9-126.2-105.1 -25.7 26.2 4.3 28.2 255 260 A G S > S+ 0 0 1 -4,-0.3 4,-1.4 -159,-0.1 -182,-0.1 0.480 81.9 110.5 89.9 4.7 26.4 8.0 28.2 256 261 A A H > S+ 0 0 0 -5,-0.5 4,-2.1 2,-0.2 5,-0.2 0.900 73.2 51.9 -77.7 -43.9 28.4 7.9 25.0 257 262 A I H > S+ 0 0 5 -6,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.877 108.5 54.8 -58.2 -37.8 25.7 9.5 22.8 258 263 A I H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.928 106.2 48.7 -63.6 -47.9 25.5 12.3 25.3 259 264 A T H >< S+ 0 0 1 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.939 113.4 47.5 -58.5 -49.2 29.2 13.2 25.1 260 265 A Y H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.928 111.2 51.5 -54.8 -47.1 29.1 13.2 21.3 261 266 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.658 91.9 75.8 -69.0 -15.9 25.9 15.3 21.3 262 267 A S T << S+ 0 0 1 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.467 90.2 59.0 -75.4 0.5 27.6 17.8 23.7 263 268 A Y T < S+ 0 0 3 -3,-1.6 -259,-1.6 -4,-0.1 2,-0.3 0.296 82.2 103.9-109.2 5.0 29.5 19.1 20.6 264 269 A V S < S- 0 0 4 -3,-1.6 -198,-0.0 -261,-0.2 6,-0.0 -0.704 84.5-101.5 -83.9 139.1 26.3 19.9 18.8 265 270 A R > - 0 0 141 -2,-0.3 3,-1.2 -261,-0.2 -1,-0.1 -0.286 35.0-103.4 -67.6 148.2 25.6 23.7 18.7 266 271 A K T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -4,-0.1 -199,-0.1 0.739 117.8 23.3 -42.6 -42.5 23.0 25.0 21.1 267 272 A D T 3 S+ 0 0 94 2,-0.1 -1,-0.3 167,-0.1 3,-0.1 0.510 92.9 122.4-106.1 -7.4 20.2 25.4 18.5 268 273 A Q S < S- 0 0 28 -3,-1.2 167,-0.1 1,-0.1 -4,-0.1 -0.240 73.1 -91.9 -58.5 143.0 21.4 22.9 15.9 269 274 A D + 0 0 2 1,-0.1 166,-0.2 165,-0.1 -1,-0.1 -0.233 47.8 162.1 -61.9 140.5 18.9 20.1 15.1 270 275 A I > + 0 0 0 161,-0.3 4,-2.6 163,-0.2 5,-0.4 0.507 66.2 72.2-125.6 -25.0 19.0 16.8 17.0 271 276 A V H > S+ 0 0 1 160,-0.3 4,-2.1 166,-0.2 5,-0.1 0.971 112.9 25.1 -57.4 -59.6 15.5 15.4 16.2 272 277 A L H > S+ 0 0 58 165,-0.2 4,-3.2 2,-0.2 5,-0.2 0.946 122.3 55.1 -71.1 -50.6 16.3 14.6 12.6 273 278 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 113.3 42.7 -48.0 -52.5 20.0 14.2 13.1 274 279 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.963 112.6 52.4 -58.0 -55.1 19.4 11.6 15.8 275 280 A L H X S+ 0 0 47 -4,-2.1 4,-2.5 -5,-0.4 -2,-0.2 0.892 111.6 48.0 -48.8 -46.6 16.7 9.9 13.9 276 281 A T H X S+ 0 0 53 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.968 110.1 48.1 -62.2 -57.9 18.9 9.5 10.9 277 282 A A H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.871 114.4 48.6 -51.9 -41.4 22.0 8.2 12.6 278 283 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.938 110.3 49.9 -64.2 -47.9 19.8 5.6 14.5 279 284 A T H X S+ 0 0 52 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.852 107.6 56.0 -60.3 -35.8 18.1 4.6 11.2 280 285 A L H X S+ 0 0 51 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.931 109.0 46.0 -61.0 -46.8 21.5 4.1 9.7 281 286 A N H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.951 114.7 46.7 -60.1 -51.0 22.6 1.7 12.4 282 287 A E H X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.899 112.1 49.8 -61.3 -43.7 19.4 -0.2 12.2 283 288 A K H X>S+ 0 0 104 -4,-2.8 4,-1.7 1,-0.2 5,-0.8 0.908 114.2 46.0 -60.6 -41.7 19.4 -0.5 8.5 284 289 A A H X>S+ 0 0 3 -4,-2.2 5,-2.9 -5,-0.2 4,-0.5 0.876 116.6 45.7 -68.5 -36.9 23.1 -1.7 8.6 285 290 A E H <>S+ 0 0 0 -4,-2.7 5,-1.1 3,-0.2 -2,-0.2 0.951 118.7 37.3 -71.9 -51.8 22.3 -4.1 11.4 286 291 A V H <5S+ 0 0 11 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.822 132.5 26.0 -73.0 -32.3 19.1 -5.7 10.0 287 292 A I H <5S+ 0 0 81 -4,-1.7 4,-0.4 -5,-0.4 -3,-0.2 0.899 132.0 27.5 -98.1 -54.9 20.2 -5.7 6.4 288 293 A L T ><> S+ 0 0 0 -3,-0.6 4,-1.3 -4,-0.4 5,-0.2 0.886 111.8 33.5-101.2 -63.4 26.3 -12.3 6.2 293 298 A S H X S+ 0 0 1 -4,-0.8 4,-1.8 2,-0.2 5,-0.2 0.967 123.0 39.2 -63.2 -59.0 26.8 -14.5 9.2 294 299 A I H > S+ 0 0 7 -5,-0.3 4,-2.8 1,-0.2 5,-0.3 0.955 115.3 48.1 -60.4 -57.8 23.5 -16.4 9.3 295 300 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -74,-0.3 0.833 111.9 52.4 -56.3 -34.1 22.8 -17.0 5.6 296 301 A A H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.902 111.7 44.8 -68.0 -42.4 26.4 -18.2 5.1 297 302 A A H X>S+ 0 0 1 -4,-1.8 4,-2.4 -3,-0.3 5,-0.6 0.903 113.0 50.7 -68.1 -42.9 26.1 -20.7 8.0 298 303 A V H X5S+ 0 0 1 -4,-2.8 4,-1.9 3,-0.2 -2,-0.2 0.896 109.7 52.4 -60.9 -41.4 22.6 -21.9 6.8 299 304 A A H <5S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.976 119.6 31.9 -56.9 -57.8 24.0 -22.4 3.3 300 305 A F H <5S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.695 140.0 16.0 -76.7 -21.8 26.9 -24.6 4.4 301 306 A F H <5S- 0 0 31 -4,-2.4 4,-0.4 -5,-0.2 -3,-0.2 0.580 100.4-117.1-129.1 -18.5 25.3 -26.3 7.4 302 307 A G X< - 0 0 15 -4,-1.9 4,-1.0 -5,-0.6 -1,-0.2 -0.272 39.2 -72.7 93.3 172.4 21.5 -25.8 7.2 303 308 A V H >> S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 3,-0.6 0.973 125.2 50.5 -70.7 -57.8 19.3 -24.0 9.7 304 309 A A H 3> S+ 0 0 81 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.886 115.4 44.3 -49.1 -47.1 19.3 -26.4 12.7 305 310 A N H 3> S+ 0 0 99 -4,-0.4 4,-1.8 2,-0.2 -1,-0.3 0.756 109.7 57.1 -72.1 -25.5 23.1 -26.6 12.7 306 311 A A H < S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.923 109.2 47.4 -64.6 -45.2 25.0 -19.5 17.2 311 316 A K T 3< S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.576 99.6 75.3 -70.5 -9.2 24.2 -20.9 20.7 312 317 A A T 34 S- 0 0 62 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.794 111.1 -38.5 -77.5 -30.5 27.8 -22.2 20.7 313 318 A G >S+ 0 0 55 2,-0.1 4,-3.3 3,-0.1 5,-0.6 0.567 96.1 88.9-115.3 -16.9 32.7 -15.4 18.5 316 321 A N H >>S+ 0 0 29 1,-0.2 5,-3.1 3,-0.2 4,-1.2 0.884 92.5 45.6 -49.9 -45.8 32.3 -18.9 17.1 317 322 A L H <>S+ 0 0 6 -4,-0.5 5,-2.9 3,-0.2 -1,-0.2 0.920 123.1 31.4 -66.9 -46.6 30.3 -17.7 14.2 318 323 A G H 45S+ 0 0 1 -4,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.776 128.2 34.7 -87.7 -29.5 32.4 -14.7 13.2 319 324 A F H <5S+ 0 0 1 -4,-3.3 -3,-0.2 3,-0.1 -2,-0.2 0.608 134.9 13.7-102.4 -15.3 35.9 -15.8 14.1 320 325 A I T X S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.875 115.2 47.9 -59.5 -37.0 36.2 -17.9 8.1 324 329 A A H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.916 109.2 51.6 -69.2 -45.5 36.0 -21.7 7.7 325 330 A I H >< S+ 0 0 1 -4,-3.6 3,-0.7 1,-0.2 -1,-0.2 0.873 113.2 47.6 -55.9 -37.8 32.9 -21.4 5.4 326 331 A F H >< S+ 0 0 2 -4,-2.2 3,-2.4 -5,-0.3 6,-0.2 0.857 97.3 67.7 -73.0 -37.2 35.0 -18.9 3.4 327 332 A S T 3< S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.628 99.0 55.5 -60.6 -11.0 38.1 -21.1 3.2 328 333 A Q T < S+ 0 0 67 -3,-0.7 -1,-0.3 -4,-0.5 2,-0.2 0.561 98.7 75.9 -96.5 -12.2 36.0 -23.5 1.1 329 334 A T S X S- 0 0 22 -3,-2.4 3,-1.7 -4,-0.2 2,-0.4 -0.565 97.9 -83.3 -99.6 163.9 35.1 -20.8 -1.5 330 335 A A T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.514 116.9 3.5 -69.5 120.1 37.2 -19.3 -4.3 331 336 A G T 3> S+ 0 0 54 -2,-0.4 4,-1.9 -4,-0.1 -1,-0.3 0.766 86.2 151.7 75.1 27.2 39.3 -16.5 -2.9 332 337 A G H <> + 0 0 5 -3,-1.7 4,-2.0 -6,-0.2 -5,-0.2 0.871 63.5 56.2 -58.0 -43.0 38.1 -17.3 0.6 333 338 A T H > S+ 0 0 37 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.916 110.0 44.5 -58.8 -46.5 41.2 -16.0 2.4 334 339 A F H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 112.0 54.0 -64.9 -35.0 41.0 -12.6 0.8 335 340 A L H X S+ 0 0 9 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.809 104.0 56.0 -68.4 -29.9 37.3 -12.6 1.6 336 341 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.834 104.5 53.5 -67.8 -33.5 38.2 -13.4 5.2 337 342 A F H X S+ 0 0 35 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.853 106.1 51.1 -69.8 -36.5 40.3 -10.2 5.1 338 343 A L H X S+ 0 0 19 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.862 110.5 51.8 -66.7 -35.5 37.4 -8.1 4.0 339 344 A W H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.962 116.0 36.9 -64.1 -54.7 35.3 -9.6 6.8 340 345 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -225,-0.2 0.844 115.5 54.4 -70.5 -34.9 37.8 -8.8 9.6 341 346 A F H X S+ 0 0 56 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.902 108.6 51.0 -63.4 -40.5 38.8 -5.5 8.0 342 347 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 3,-0.4 0.973 110.6 47.4 -56.8 -57.1 35.1 -4.6 8.0 343 348 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.881 108.3 56.1 -52.4 -43.8 34.8 -5.5 11.7 344 349 A F H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 110.6 43.0 -60.7 -42.2 37.9 -3.5 12.6 345 350 A F H X S+ 0 0 25 -4,-1.9 4,-1.7 -3,-0.4 -1,-0.2 0.865 113.7 53.6 -69.7 -36.5 36.5 -0.3 11.1 346 351 A A H < S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.931 115.2 38.8 -61.7 -47.6 33.2 -1.1 12.7 347 352 A G H >X S+ 0 0 0 -4,-3.1 4,-3.1 -327,-0.2 3,-0.8 0.850 110.5 59.3 -72.3 -36.1 34.7 -1.5 16.1 348 353 A L H 3X S+ 0 0 1 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.870 103.2 51.7 -63.6 -38.7 37.2 1.4 15.7 349 354 A T H 3< S+ 0 0 3 -4,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.686 116.9 42.1 -69.2 -18.2 34.4 3.9 15.1 350 355 A S H <> S+ 0 0 0 -3,-0.8 4,-1.2 -4,-0.4 -2,-0.2 0.818 108.0 55.9 -96.4 -38.2 32.8 2.6 18.3 351 356 A S H X S+ 0 0 0 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.839 105.3 53.7 -65.7 -34.4 35.9 2.3 20.6 352 357 A I H X S+ 0 0 3 -4,-1.5 4,-0.5 -5,-0.2 -1,-0.2 0.838 108.5 50.3 -67.3 -32.4 36.8 6.0 20.0 353 358 A A H 4 S+ 0 0 0 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.747 104.8 59.0 -75.3 -24.5 33.2 6.9 21.1 354 359 A Q H < S+ 0 0 1 -4,-1.2 4,-0.3 1,-0.2 -253,-0.2 0.750 109.7 41.2 -76.6 -25.6 33.6 4.7 24.2 355 360 A M H X S+ 0 0 3 -4,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.507 94.2 83.7 -99.3 -7.1 36.6 6.7 25.5 356 361 A Q H X S+ 0 0 5 -4,-0.5 4,-3.4 1,-0.2 5,-0.2 0.874 84.7 55.9 -68.4 -40.3 35.3 10.1 24.6 357 362 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.923 110.6 46.0 -55.8 -44.4 33.2 10.6 27.8 358 363 A M H > S+ 0 0 3 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.917 114.9 47.3 -63.9 -44.3 36.4 10.0 29.9 359 364 A I H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.909 111.8 50.9 -61.0 -43.6 38.4 12.3 27.7 360 365 A A H X S+ 0 0 0 -4,-3.4 4,-3.3 2,-0.2 5,-0.3 0.866 108.3 53.0 -63.8 -37.8 35.6 14.9 27.9 361 366 A F H X>S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 5,-0.9 0.964 107.7 48.0 -62.5 -54.6 35.5 14.7 31.7 362 367 A L H <5S+ 0 0 10 -4,-2.0 6,-2.7 3,-0.2 4,-0.5 0.841 120.4 40.6 -56.9 -34.9 39.2 15.3 32.2 363 368 A E H X5S+ 0 0 26 -4,-1.6 4,-1.2 4,-0.3 -2,-0.2 0.969 122.1 36.7 -75.6 -59.4 39.0 18.3 29.9 364 369 A D H <5S+ 0 0 21 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.866 131.9 25.9 -64.0 -40.0 35.6 19.8 30.9 365 370 A E T <5S+ 0 0 25 -4,-3.1 -3,-0.2 -5,-0.3 -1,-0.2 0.711 133.3 30.3-103.8 -25.3 35.9 19.2 34.6 366 371 A L T 4 - 0 0 57 -2,-0.2 4,-3.1 1,-0.1 5,-0.2 -0.271 30.0-111.8 -61.3 156.3 44.6 19.5 27.7 370 375 A R H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 118.4 56.3 -59.4 -40.0 43.2 17.1 25.0 371 376 A K H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 114.1 37.9 -55.9 -50.8 46.7 15.6 24.7 372 377 A H H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.897 114.0 55.4 -68.8 -42.1 46.9 14.8 28.4 373 378 A A H X S+ 0 0 0 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.857 112.7 43.5 -59.3 -36.5 43.2 13.8 28.6 374 379 A V H X S+ 0 0 2 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.902 112.6 49.7 -77.2 -43.6 43.7 11.3 25.8 375 380 A L H X S+ 0 0 79 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.897 113.2 45.7 -65.3 -42.5 47.0 9.8 27.0 376 381 A W H X S+ 0 0 161 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.904 113.3 49.9 -66.9 -42.1 45.8 9.2 30.6 377 382 A T H X S+ 0 0 1 -4,-1.3 4,-2.4 -5,-0.3 -2,-0.2 0.914 112.6 47.4 -61.6 -43.3 42.5 7.7 29.3 378 383 A A H X S+ 0 0 12 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.903 110.5 53.0 -62.3 -41.8 44.4 5.4 27.0 379 384 A A H X S+ 0 0 44 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.877 110.4 47.2 -61.8 -39.7 46.8 4.5 29.9 380 385 A I H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 116.0 43.9 -69.2 -42.5 43.8 3.6 32.1 381 386 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.913 114.9 48.8 -68.7 -44.2 42.2 1.5 29.3 382 387 A F H < S+ 0 0 52 -4,-3.3 4,-0.5 2,-0.2 -2,-0.2 0.951 115.4 43.3 -60.6 -51.5 45.4 -0.2 28.3 383 388 A F H >< S+ 0 0 139 -4,-2.2 3,-2.0 -5,-0.2 4,-0.3 0.965 114.2 49.3 -57.7 -55.9 46.4 -1.1 31.8 384 389 A S H >X S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.3 4,-0.6 0.782 99.2 69.2 -56.0 -29.9 42.9 -2.3 32.8 385 390 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.3 -1,-0.3 0.698 79.1 77.8 -66.3 -19.8 42.7 -4.4 29.6 386 391 A H H <> S+ 0 0 54 -3,-2.0 4,-1.6 -4,-0.5 5,-0.3 0.774 88.8 57.8 -61.9 -26.1 45.4 -6.8 31.0 387 392 A L H <> S+ 0 0 39 -3,-1.5 4,-2.5 -4,-0.3 7,-0.2 0.937 108.2 44.8 -67.2 -46.8 42.7 -8.4 33.2 388 393 A V H < S+ 0 0 3 -4,-0.6 7,-0.3 1,-0.2 -2,-0.2 0.819 114.7 50.8 -64.5 -31.7 40.6 -9.2 30.1 389 394 A M H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.806 124.9 21.6 -78.3 -30.9 43.7 -10.5 28.3 390 395 A F H < S+ 0 0 82 -4,-1.6 -233,-3.2 -5,-0.2 2,-0.8 0.651 106.9 75.3-115.0 -22.9 45.0 -12.8 31.0 391 396 A L B >< S-A 156 0A 13 -4,-2.5 3,-2.1 -5,-0.3 4,-0.4 -0.820 79.2-130.0-102.9 102.7 42.1 -13.7 33.3 392 397 A N T 3 S+ 0 0 43 -237,-1.4 -3,-0.1 -2,-0.8 -2,-0.1 -0.121 89.1 10.3 -47.8 135.4 39.7 -16.2 31.7 393 398 A K T 3> S+ 0 0 107 -5,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.303 92.2 113.2 77.5 -9.1 36.0 -15.2 31.8 394 399 A S H <> S+ 0 0 0 -3,-2.1 4,-1.9 -7,-0.2 5,-0.2 0.888 74.6 56.6 -58.7 -39.3 36.9 -11.6 33.0 395 400 A L H > S+ 0 0 26 -4,-0.4 4,-2.1 -7,-0.3 -1,-0.2 0.925 103.6 52.8 -56.2 -48.6 35.6 -10.4 29.7 396 401 A D H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 106.8 53.6 -53.6 -45.7 32.2 -12.0 30.3 397 402 A E H X S+ 0 0 22 -4,-1.7 4,-2.0 1,-0.2 5,-0.3 0.913 109.0 46.1 -60.4 -48.1 31.9 -10.3 33.6 398 403 A M H X>S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.8 0.874 111.3 53.1 -63.8 -38.3 32.5 -6.8 32.3 399 404 A D H <5S+ 0 0 43 -4,-2.1 4,-0.3 3,-0.2 -1,-0.2 0.848 108.8 50.6 -65.7 -34.6 30.0 -7.3 29.5 400 405 A F H <>S+ 0 0 46 -4,-1.9 5,-3.0 -5,-0.2 6,-0.4 0.934 120.5 31.1 -69.2 -48.3 27.3 -8.4 31.9 401 406 A W H <>S+ 0 0 58 -4,-2.0 5,-2.3 3,-0.2 -2,-0.2 0.921 131.8 30.4 -78.9 -45.9 27.5 -5.5 34.3 402 407 A A T <5S+ 0 0 0 -4,-2.5 5,-0.5 -5,-0.3 -3,-0.2 0.951 131.0 29.4 -80.6 -53.4 28.6 -2.7 31.9 403 408 A G T 5S+ 0 0 16 -4,-0.4 4,-0.8 -6,-0.2 -3,-0.2 0.549 129.3 17.8-127.7 -79.9 24.0 -5.5 29.9 405 410 A I H >> S+ 0 0 2 -5,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.788 110.6 47.2 -66.5 -28.4 23.1 0.2 30.4 408 413 A V H S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 5,-0.6 0.917 112.3 44.1 -67.6 -44.6 15.0 9.1 31.4 416 421 A I H X>S+ 0 0 48 -4,-2.5 5,-2.1 3,-0.2 4,-1.5 0.937 116.0 46.9 -65.4 -48.9 13.6 9.7 34.8 417 422 A I H <>S+ 0 0 4 -4,-2.9 5,-3.6 3,-0.2 6,-0.3 0.955 117.6 41.8 -56.5 -53.3 15.9 12.6 35.6 418 423 A F H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.905 130.4 23.2 -65.0 -45.0 15.4 14.3 32.3 419 424 A F H <5S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.2 4,-0.2 0.911 132.0 30.7 -92.1 -49.2 11.6 13.8 32.0 420 425 A W T < - 0 0 22 -6,-0.3 4,-1.5 -4,-0.2 -3,-0.2 0.227 17.8-121.0 110.0 129.9 10.3 18.3 34.0 424 429 A A H > S+ 0 0 10 -4,-0.3 4,-1.4 1,-0.2 -4,-0.1 0.856 111.2 46.3 -68.4 -37.2 8.4 16.6 31.2 425 430 A D H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 111.0 50.3 -76.1 -39.2 7.6 19.9 29.3 426 431 A K H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.842 109.9 53.0 -66.3 -33.2 11.1 21.4 29.6 427 432 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.889 106.8 52.6 -66.0 -39.9 12.4 18.1 28.2 428 433 A W H X S+ 0 0 47 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.912 111.7 44.8 -64.0 -44.4 10.1 18.3 25.3 429 434 A E H X S+ 0 0 119 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.953 111.4 52.5 -62.3 -51.3 11.2 21.9 24.4 430 435 A E H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.742 114.4 45.3 -58.9 -24.9 14.9 21.0 24.8 431 436 A I H < S+ 0 0 0 -4,-1.3 -161,-0.3 -5,-0.1 -160,-0.3 0.937 119.5 35.5 -82.7 -54.1 14.3 18.1 22.4 432 437 A N H >< S+ 0 0 12 -4,-2.6 3,-2.5 -5,-0.1 -2,-0.2 0.665 88.4 118.5 -76.0 -17.7 12.3 19.7 19.7 433 438 A R T 3< S- 0 0 70 -4,-2.6 -163,-0.2 1,-0.3 -162,-0.2 -0.281 90.9 -1.5 -57.4 125.7 14.1 23.0 19.9 434 439 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -165,-0.1 -1,-0.3 0.601 94.2 157.5 70.1 11.6 15.9 23.9 16.7 435 440 A G < - 0 0 14 -3,-2.5 -1,-0.2 -166,-0.2 -167,-0.1 -0.569 47.5-142.9 -75.2 121.9 14.7 20.6 15.2 436 441 A I S S+ 0 0 86 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.848 96.2 14.0 -47.2 -35.8 14.6 20.5 11.4 437 442 A I S S- 0 0 79 -3,-0.0 2,-0.3 -5,-0.0 -165,-0.2 -0.891 89.7-112.5-132.7 167.4 11.5 18.4 12.1 438 443 A K - 0 0 144 -2,-0.3 3,-0.1 -167,-0.1 -6,-0.0 -0.727 29.4-107.3-102.8 152.4 9.4 17.9 15.3 439 444 A V - 0 0 8 -2,-0.3 5,-0.1 -11,-0.1 -7,-0.1 -0.580 48.0 -95.2 -74.7 135.0 9.0 14.7 17.3 440 445 A P >> - 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.255 29.5-125.6 -51.6 132.2 5.6 13.1 16.9 441 446 A R H >> S+ 0 0 201 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.766 108.7 64.8 -52.8 -27.7 3.2 14.2 19.7 442 447 A I H >> S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.846 91.4 61.7 -66.2 -34.3 2.6 10.6 20.5 443 448 A Y H <> S+ 0 0 34 -3,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.674 90.1 70.6 -68.4 -16.8 6.3 10.0 21.5 444 449 A Y H S+ 0 0 108 -3,-0.9 4,-2.0 -4,-0.6 5,-1.3 0.816 112.3 55.5 -80.6 -32.7 3.5 10.1 26.1 446 451 A V H <>S+ 0 0 14 -4,-1.5 5,-3.8 3,-0.2 -2,-0.2 0.952 111.3 45.5 -60.7 -49.6 5.8 7.1 25.2 447 452 A M H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.933 119.2 38.8 -59.1 -51.3 8.7 8.9 26.8 448 453 A R H <5S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.748 138.8 5.2 -76.0 -24.2 7.0 10.0 29.9 449 454 A Y T X5S+ 0 0 111 -4,-2.0 4,-1.5 -5,-0.1 -3,-0.2 0.729 125.9 44.4-126.7 -54.6 4.9 6.9 30.5 450 455 A I H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.876 118.6 44.7 -63.6 -37.1 9.9 4.0 31.8 453 458 A A H X S+ 0 0 53 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.908 113.0 51.4 -69.7 -43.1 7.1 1.6 32.6 454 459 A F H X S+ 0 0 53 -4,-3.2 4,-1.6 -5,-0.2 -1,-0.2 0.907 116.2 41.2 -57.7 -44.7 8.3 -0.7 29.8 455 460 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.911 112.3 54.2 -70.9 -45.1 11.9 -0.6 31.2 456 461 A A H X S+ 0 0 40 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.943 111.3 44.3 -55.4 -53.2 10.8 -0.8 34.9 457 462 A V H X S+ 0 0 95 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 113.2 52.6 -57.9 -44.7 8.8 -4.0 34.3 458 463 A L H X S+ 0 0 14 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.923 107.7 50.6 -57.4 -48.6 11.6 -5.5 32.2 459 464 A L H X S+ 0 0 24 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.895 109.4 50.9 -58.5 -43.3 14.2 -4.9 34.9 460 465 A V H X S+ 0 0 70 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.933 110.4 48.6 -60.9 -47.4 12.1 -6.5 37.6 461 466 A V H X S+ 0 0 48 -4,-2.3 4,-1.3 1,-0.2 5,-0.3 0.908 112.1 49.5 -58.5 -43.6 11.6 -9.6 35.4 462 467 A W H X>S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 5,-0.5 0.907 111.5 49.8 -61.8 -42.7 15.3 -9.7 34.7 463 468 A A H X5S+ 0 0 34 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.877 104.4 58.3 -64.1 -39.5 16.0 -9.4 38.4 464 469 A R H <5S+ 0 0 181 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 120.9 23.8 -64.1 -35.3 13.6 -12.2 39.4 465 470 A E H <5S+ 0 0 119 -4,-1.3 4,-0.5 -3,-0.2 -2,-0.2 0.798 129.8 39.2-100.6 -35.7 15.3 -14.9 37.3 466 471 A Y H X5S+ 0 0 121 -4,-2.5 4,-1.3 -5,-0.3 3,-0.5 0.812 101.9 68.7 -87.4 -33.0 18.9 -13.6 36.9 467 472 A I T <> S+ 0 0 136 -3,-0.5 4,-1.1 -4,-0.5 3,-0.8 0.870 84.5 93.0 -58.8 -43.4 22.4 -16.6 39.8 470 475 A I T 3< S- 0 0 50 -4,-1.3 4,-0.1 -3,-0.4 -4,-0.0 -0.372 113.3 -12.7 -61.1 116.1 24.6 -13.7 40.8 471 476 A M T 34 S+ 0 0 107 -2,-0.3 -1,-0.3 1,-0.1 3,-0.2 0.238 113.8 99.3 77.2 -14.5 26.9 -14.9 43.6 472 477 A E T <4 S- 0 0 124 -3,-0.8 2,-0.4 -4,-0.5 -2,-0.2 0.999 104.0 -10.5 -60.5 -66.2 24.7 -18.0 44.1 473 478 A E S < S+ 0 0 151 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.3 -0.936 89.2 116.8-142.0 119.9 27.2 -20.1 42.1 474 479 A T - 0 0 63 -2,-0.4 2,-0.0 -3,-0.2 -4,-0.0 -0.953 65.8 -75.9-168.4 158.9 30.1 -18.9 40.0 475 480 A H > - 0 0 95 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.340 39.9-123.3 -65.6 144.8 33.9 -19.2 40.0 476 481 A W T > S+ 0 0 171 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.684 104.8 75.9 -64.0 -17.3 35.7 -17.1 42.6 477 482 A T T >> S+ 0 0 6 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.672 78.0 73.7 -69.2 -16.3 37.7 -15.4 39.9 478 483 A V H <> S+ 0 0 10 -3,-1.9 4,-2.2 1,-0.2 -1,-0.3 0.785 89.4 60.6 -65.7 -26.0 34.6 -13.4 39.0 479 484 A W H <> S+ 0 0 120 -3,-1.4 4,-3.2 -4,-0.3 -1,-0.2 0.767 93.7 63.0 -72.3 -26.5 35.3 -11.4 42.1 480 485 A I H <> S+ 0 0 62 -3,-0.7 4,-1.4 -4,-0.4 -1,-0.2 0.881 110.0 39.8 -63.7 -38.7 38.7 -10.4 40.8 481 486 A T H X S+ 0 0 1 -4,-0.9 4,-2.8 2,-0.2 5,-0.3 0.906 116.9 48.7 -75.5 -44.6 36.9 -8.6 38.0 482 487 A R H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.897 110.1 53.0 -61.7 -41.8 34.1 -7.3 40.2 483 488 A F H X S+ 0 0 163 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.919 113.2 43.8 -58.5 -44.5 36.7 -6.0 42.7 484 489 A Y H X S+ 0 0 70 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.927 114.8 45.4 -70.7 -46.6 38.6 -4.1 40.0 485 490 A I H X S+ 0 0 5 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.775 112.2 53.1 -71.5 -25.2 35.5 -2.6 38.2 486 491 A I H X S+ 0 0 113 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.898 108.3 50.0 -70.4 -41.7 34.1 -1.6 41.6 487 492 A G H X S+ 0 0 34 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.831 104.3 60.6 -61.4 -33.0 37.4 0.1 42.4 488 493 A L H X S+ 0 0 10 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.893 104.0 48.6 -59.8 -41.5 37.0 1.8 39.0 489 494 A F H X S+ 0 0 44 -4,-1.2 4,-2.2 -3,-0.2 -2,-0.2 0.900 110.2 50.9 -67.0 -41.7 33.8 3.4 40.2 490 495 A L H X S+ 0 0 128 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.924 109.8 50.5 -59.9 -45.9 35.4 4.5 43.4 491 496 A F H X S+ 0 0 89 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.870 111.8 47.5 -60.7 -38.8 38.3 6.1 41.4 492 497 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.823 108.7 54.5 -73.3 -32.4 35.8 7.9 39.2 493 498 A T H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.879 105.9 53.7 -65.6 -38.2 33.8 9.1 42.2 494 499 A F H X S+ 0 0 113 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 107.0 50.2 -62.9 -44.4 37.0 10.6 43.6 495 500 A L H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.903 109.2 51.2 -61.8 -42.5 37.7 12.5 40.4 496 501 A V H X S+ 0 0 15 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.923 110.5 50.6 -57.4 -44.3 34.1 13.9 40.5 497 502 A F H X S+ 0 0 84 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.887 112.9 44.8 -60.3 -42.3 34.8 14.9 44.1 498 503 A L H X S+ 0 0 68 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.850 109.0 56.8 -71.2 -34.6 38.0 16.6 43.0 499 504 A A H X S+ 0 0 11 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.794 107.5 48.6 -67.3 -28.9 36.3 18.3 40.1 500 505 A E H X S+ 0 0 16 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.764 111.2 50.6 -80.8 -27.0 33.8 19.9 42.4 501 506 A R H X S+ 0 0 93 -4,-1.0 4,-1.4 2,-0.2 3,-0.4 0.870 107.9 49.9 -79.3 -40.0 36.5 21.1 44.8 502 507 A R H X S+ 0 0 84 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.845 107.1 58.7 -64.0 -33.0 38.6 22.8 42.1 503 508 A R H < S+ 0 0 132 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.802 103.5 52.3 -63.8 -30.9 35.3 24.4 41.0 504 509 A N H >X 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