==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-OCT-04 1XQF . COMPND 2 MOLECULE: PROBABLE AMMONIUM TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.ZHENG,D.KOSTREWA,S.BERNECHE,F.K.WINKLER,X.-D.LI . 362 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 81.2 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 1.4 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 . 2 0.6 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 0 0 2 0 0 0 1 1 1 0 0 1 1 2 1 0 1 0 0 0 0 0 1 1 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 3 A A 0 0 125 0, 0.0 2,-0.3 0, 0.0 88,-0.2 0.000 360.0 360.0 360.0 132.2 41.9 27.4 42.3 2 4 A V - 0 0 125 89,-0.1 2,-0.2 86,-0.1 86,-0.1 -0.912 360.0-109.0-116.7 144.6 44.1 30.4 41.3 3 5 A A - 0 0 16 -2,-0.3 2,-0.6 84,-0.2 90,-0.2 -0.508 21.6-138.7 -75.2 139.8 45.6 31.0 37.9 4 6 A D > - 0 0 78 88,-2.3 4,-2.2 -2,-0.2 3,-0.3 -0.893 6.5-148.5 -97.0 121.3 49.4 30.6 37.4 5 7 A K H > S+ 0 0 178 -2,-0.6 4,-2.3 1,-0.2 5,-0.1 0.773 96.5 56.9 -64.7 -29.5 50.7 33.4 35.1 6 8 A A H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 110.7 44.6 -64.7 -43.4 53.5 31.1 33.7 7 9 A D H > S+ 0 0 12 -3,-0.3 4,-2.4 85,-0.2 -2,-0.2 0.880 111.1 53.9 -67.2 -40.0 50.8 28.7 32.5 8 10 A N H X S+ 0 0 12 -4,-2.2 4,-1.9 84,-0.2 -2,-0.2 0.922 111.6 46.2 -56.0 -47.9 48.6 31.6 31.2 9 11 A A H X S+ 0 0 53 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.943 113.2 47.8 -60.3 -52.4 51.6 32.8 29.1 10 12 A F H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.896 113.6 47.6 -55.0 -47.4 52.5 29.4 27.7 11 13 A M H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.815 109.0 51.8 -73.6 -34.0 48.9 28.6 26.8 12 14 A M H X S+ 0 0 108 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.919 113.2 45.9 -63.3 -44.5 48.1 31.9 25.0 13 15 A I H X S+ 0 0 114 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.905 111.3 52.1 -66.3 -40.0 51.3 31.5 22.8 14 16 A C H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 107.2 53.9 -63.0 -38.1 50.4 27.8 22.1 15 17 A T H X S+ 0 0 11 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.915 107.0 50.3 -60.9 -45.4 46.9 28.9 21.0 16 18 A A H X S+ 0 0 57 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.901 109.2 52.5 -59.2 -42.8 48.5 31.4 18.5 17 19 A L H X S+ 0 0 49 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.865 108.8 49.0 -60.9 -39.7 50.7 28.6 17.1 18 20 A V H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 3,-0.2 0.890 109.0 51.7 -69.7 -38.1 47.6 26.3 16.5 19 21 A L H >X S+ 0 0 63 -4,-2.2 4,-2.7 1,-0.2 3,-0.9 0.894 104.2 59.2 -60.5 -37.2 45.8 29.2 14.7 20 22 A F H 3<>S+ 0 0 82 -4,-1.8 5,-2.1 1,-0.2 -1,-0.2 0.818 94.0 66.4 -58.0 -36.5 49.0 29.5 12.5 21 23 A M H 3<>S+ 0 0 3 -4,-1.1 5,-2.4 -3,-0.2 -1,-0.2 0.835 114.0 28.7 -54.9 -37.1 48.5 25.8 11.4 22 24 A T H <<>S+ 0 0 1 -3,-0.9 5,-1.0 -4,-0.7 -2,-0.2 0.884 111.5 71.0 -88.1 -49.1 45.2 26.8 9.6 23 25 A I T <5S- 0 0 68 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 -0.876 133.0 -22.4-114.7 95.7 46.1 30.5 8.7 24 26 A P T >5S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.3 -0.950 127.5 75.9-109.0 9.2 48.2 30.0 6.5 25 27 A G H >X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.7 0.856 109.6 66.7 -68.4 -34.7 46.8 22.4 -0.4 31 33 A G H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 103.2 44.8 -55.2 -35.5 47.5 25.5 -2.5 32 34 A G H 3< S+ 0 0 0 -4,-1.6 151,-1.8 -3,-0.5 150,-0.3 0.677 114.0 50.5 -82.7 -19.3 50.7 23.8 -3.9 33 35 A L H << S+ 0 0 33 -3,-0.7 -2,-0.2 -4,-0.7 149,-0.2 0.858 98.0 69.3 -85.7 -42.3 49.0 20.4 -4.6 34 36 A I S < S- 0 0 6 -4,-2.1 148,-0.5 1,-0.2 149,-0.1 -0.197 97.6 -73.6 -80.6 169.9 45.8 21.4 -6.5 35 37 A R > - 0 0 173 1,-0.1 3,-1.8 146,-0.1 4,-0.3 -0.353 41.3-124.0 -62.5 139.7 45.4 22.7 -10.0 36 38 A G G > S+ 0 0 38 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.816 108.9 60.2 -55.8 -39.4 46.4 26.4 -10.4 37 39 A K G 3 S+ 0 0 175 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.591 108.6 47.4 -65.4 -11.5 43.0 27.5 -11.8 38 40 A N G <> S+ 0 0 44 -3,-1.8 4,-1.7 2,-0.1 -1,-0.2 0.422 85.9 89.8-107.0 -2.6 41.5 26.3 -8.5 39 41 A V H <> S+ 0 0 18 -3,-1.2 4,-2.3 -4,-0.3 5,-0.2 0.929 84.3 50.2 -67.5 -47.5 43.8 27.9 -6.0 40 42 A L H > S+ 0 0 136 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.904 112.0 47.2 -59.2 -45.7 42.1 31.3 -5.5 41 43 A S H > S+ 0 0 63 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 111.3 51.2 -65.7 -39.9 38.6 29.7 -4.8 42 44 A M H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.910 108.7 51.3 -61.8 -44.0 40.1 27.1 -2.3 43 45 A L H X S+ 0 0 56 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.885 110.4 49.9 -62.0 -38.8 41.9 29.9 -0.4 44 46 A T H X S+ 0 0 71 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.929 110.8 48.9 -63.2 -49.9 38.6 31.8 -0.2 45 47 A Q H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.887 110.9 49.8 -57.5 -44.1 36.7 28.8 1.1 46 48 A V H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.912 113.7 46.3 -61.1 -42.7 39.3 28.0 3.8 47 49 A T H X S+ 0 0 81 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.918 114.4 45.3 -68.1 -45.8 39.3 31.6 5.0 48 50 A V H X S+ 0 0 63 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.889 114.2 47.8 -67.3 -41.9 35.4 32.0 5.2 49 51 A T H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.850 107.2 57.4 -70.4 -33.0 34.8 28.6 6.9 50 52 A F H X S+ 0 0 46 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.942 108.2 47.4 -56.3 -50.4 37.5 29.4 9.5 51 53 A A H X S+ 0 0 53 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.911 110.3 52.8 -56.3 -46.0 35.6 32.6 10.4 52 54 A L H X S+ 0 0 46 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.904 109.0 48.6 -57.8 -43.9 32.3 30.5 10.6 53 55 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.928 107.5 55.2 -65.4 -44.2 33.9 28.0 13.0 54 56 A C H X S+ 0 0 52 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.889 113.0 42.9 -53.6 -43.6 35.3 30.8 15.3 55 57 A I H X S+ 0 0 114 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 113.1 49.2 -71.2 -50.9 31.7 32.3 15.6 56 58 A L H X>S+ 0 0 25 -4,-2.5 5,-2.4 1,-0.2 4,-2.2 0.864 107.9 57.8 -56.3 -35.7 29.8 29.0 16.1 57 59 A W H <>S+ 0 0 7 -4,-2.4 5,-2.8 -5,-0.2 6,-0.4 0.927 111.2 39.4 -62.4 -46.3 32.3 28.0 18.8 58 60 A V H <5S+ 0 0 50 -4,-1.3 22,-1.0 -5,-0.2 23,-0.5 0.883 114.6 53.3 -74.0 -38.9 31.7 31.1 20.9 59 61 A V H <5S- 0 0 56 -4,-2.5 21,-1.0 20,-0.2 -2,-0.2 0.933 142.3 -33.1 -61.3 -49.4 27.9 31.1 20.4 60 62 A Y T X5S+ 0 0 47 -4,-2.2 4,-1.9 19,-0.2 5,-0.2 0.502 115.0 89.6-148.1 -17.7 27.3 27.5 21.4 61 63 A G H > S+ 0 0 1 -6,-0.4 4,-1.7 15,-0.3 12,-1.4 0.893 112.9 40.9 -59.9 -46.1 29.2 25.1 25.9 64 66 A L H < S+ 0 0 35 -4,-1.9 10,-2.6 10,-0.2 -1,-0.2 0.698 120.0 45.4 -79.7 -21.5 28.0 21.8 24.3 65 67 A A H < S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.880 129.8 18.2 -83.6 -43.9 31.6 20.4 24.1 66 68 A F H < S+ 0 0 27 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.530 97.8 98.2-114.8 -8.6 32.9 21.3 27.6 67 69 A G S < S- 0 0 1 -4,-1.7 2,-0.4 -5,-0.4 -4,-0.0 -0.331 84.5 -92.5 -72.3 162.7 29.8 22.0 29.8 68 70 A E S S+ 0 0 181 6,-0.1 -1,-0.1 1,-0.1 6,-0.1 -0.671 73.1 116.0 -82.3 128.0 28.5 19.2 32.1 69 71 A G - 0 0 45 -2,-0.4 5,-0.2 1,-0.4 2,-0.1 -0.110 64.6 -45.9-147.5-110.5 25.8 17.1 30.6 70 72 A N - 0 0 70 3,-2.8 -1,-0.4 4,-0.2 5,-0.0 -0.382 69.6 -70.0-122.2-159.6 25.7 13.4 29.7 71 73 A N S S+ 0 0 66 78,-0.2 79,-2.1 -2,-0.1 80,-0.2 0.709 128.5 31.0 -69.6 -21.2 27.9 10.8 28.0 72 74 A F S S+ 0 0 87 1,-0.3 2,-0.3 77,-0.2 72,-0.3 0.765 123.3 14.7-113.3 -35.5 27.4 12.4 24.5 73 75 A F - 0 0 109 1,-0.2 -3,-2.8 70,-0.1 -1,-0.3 -0.965 57.0-138.7-142.2 162.0 26.9 16.2 24.9 74 76 A G - 0 0 3 -10,-2.6 -10,-0.2 -2,-0.3 2,-0.2 0.638 39.8 -88.1 -83.7-121.6 27.2 19.0 27.4 75 77 A N - 0 0 32 -12,-1.4 3,-0.2 -6,-0.1 -8,-0.2 -0.850 17.7-111.4-147.9-178.2 24.7 21.8 28.0 76 78 A I S > S+ 0 0 111 -2,-0.2 3,-0.7 1,-0.1 -12,-0.1 -0.025 80.9 106.6-112.1 28.5 23.5 25.3 26.9 77 79 A N T 3 S+ 0 0 103 1,-0.2 -1,-0.1 -14,-0.2 -13,-0.0 0.642 77.9 51.9 -78.0 -17.0 24.5 27.1 30.1 78 80 A W T > S+ 0 0 53 -3,-0.2 3,-1.9 -18,-0.1 -15,-0.3 -0.116 71.1 156.8-115.5 35.3 27.5 28.8 28.5 79 81 A L G X S- 0 0 71 -3,-0.7 3,-1.6 1,-0.3 -19,-0.2 -0.469 82.2 -3.0 -65.5 126.7 25.9 30.4 25.4 80 82 A M G 3 S- 0 0 126 -22,-1.0 -1,-0.3 -21,-1.0 -21,-0.2 0.761 129.5 -69.5 53.7 30.8 28.1 33.4 24.2 81 83 A L G X S+ 0 0 18 -3,-1.9 3,-1.4 -23,-0.5 -1,-0.2 0.669 85.3 168.4 61.8 22.9 30.2 32.6 27.3 82 84 A K T < + 0 0 143 -3,-1.6 -1,-0.2 1,-0.2 3,-0.1 -0.325 61.7 23.4 -60.7 145.3 27.4 33.8 29.7 83 85 A N T 3 S+ 0 0 118 1,-0.2 2,-0.7 -5,-0.1 -1,-0.2 0.532 90.4 118.2 71.7 8.4 27.9 32.9 33.4 84 86 A I < - 0 0 13 -3,-1.4 -1,-0.2 4,-0.0 2,-0.1 -0.922 60.5-142.3-102.9 106.3 31.7 32.5 32.9 85 87 A E > - 0 0 141 -2,-0.7 3,-2.0 1,-0.1 10,-0.2 -0.395 18.3-120.7 -63.2 144.2 33.3 35.1 35.2 86 88 A L T 3 S+ 0 0 123 1,-0.3 10,-0.3 9,-0.1 -1,-0.1 0.828 114.4 48.6 -58.5 -31.6 36.4 36.8 33.7 87 89 A T T 3 S+ 0 0 103 7,-0.1 -1,-0.3 8,-0.1 -84,-0.2 0.307 82.0 130.2 -91.9 7.6 38.5 35.5 36.6 88 90 A A < - 0 0 26 -3,-2.0 7,-3.0 6,-0.1 2,-0.4 -0.392 48.5-142.8 -65.0 137.9 37.2 31.9 36.4 89 91 A V E -A 94 0A 35 5,-0.3 2,-0.5 -88,-0.2 5,-0.2 -0.857 16.2-170.2-108.2 137.1 40.0 29.2 36.5 90 92 A M E > S-A 93 0A 68 3,-2.9 3,-1.6 -2,-0.4 2,-0.7 -0.977 73.8 -38.1-123.0 114.8 40.0 25.9 34.5 91 93 A G T 3 S- 0 0 68 -2,-0.5 -89,-0.1 1,-0.2 117,-0.1 -0.643 126.0 -29.9 71.1-112.4 42.9 23.7 35.6 92 94 A S T 3 S+ 0 0 35 -2,-0.7 -88,-2.3 115,-0.4 2,-0.3 0.126 126.9 67.1-121.3 18.3 45.7 26.2 36.2 93 95 A I E < S-A 90 0A 9 -3,-1.6 -3,-2.9 -90,-0.2 2,-0.1 -0.878 93.4 -81.5-132.1 163.5 44.7 28.9 33.7 94 96 A Y E >> -A 89 0A 90 -2,-0.3 3,-1.4 -5,-0.2 4,-1.2 -0.456 40.2-126.2 -63.4 135.4 41.9 31.4 33.1 95 97 A Q H 3> S+ 0 0 16 -7,-3.0 4,-2.3 1,-0.3 5,-0.2 0.838 107.9 65.2 -56.8 -36.2 38.9 29.7 31.5 96 98 A Y H 3> S+ 0 0 102 -8,-0.4 4,-1.7 -10,-0.3 -1,-0.3 0.831 100.9 51.5 -52.6 -35.3 38.9 32.3 28.7 97 99 A I H <> S+ 0 0 18 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.886 106.9 52.3 -70.7 -40.9 42.3 30.9 27.6 98 100 A H H X S+ 0 0 33 -4,-1.2 4,-2.3 2,-0.2 5,-0.3 0.897 107.5 53.5 -58.4 -42.6 40.8 27.3 27.6 99 101 A V H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 111.8 44.5 -55.5 -48.4 38.0 28.6 25.3 100 102 A A H X S+ 0 0 50 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.922 113.0 50.2 -67.4 -44.6 40.5 30.0 22.8 101 103 A F H X S+ 0 0 7 -4,-2.5 4,-1.1 2,-0.2 3,-0.2 0.941 113.6 44.1 -58.4 -52.0 42.8 26.9 22.8 102 104 A Q H X S+ 0 0 17 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.848 109.8 57.2 -65.6 -34.0 40.0 24.4 22.2 103 105 A G H X S+ 0 0 10 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.883 101.2 56.9 -59.9 -40.0 38.4 26.7 19.5 104 106 A S H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.823 103.2 54.7 -64.1 -32.9 41.7 26.6 17.6 105 107 A F H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.874 106.0 51.0 -63.4 -42.6 41.5 22.7 17.5 106 108 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.906 108.9 53.9 -62.0 -39.4 38.0 22.9 15.9 107 109 A C H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.905 109.0 44.9 -61.5 -47.0 39.4 25.3 13.3 108 110 A I H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.883 110.4 55.6 -69.2 -35.5 42.3 23.0 12.1 109 111 A T H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.932 111.8 42.7 -59.2 -47.5 40.0 20.0 12.0 110 112 A V H X S+ 0 0 4 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.876 109.4 58.5 -67.7 -39.0 37.6 21.8 9.6 111 113 A G H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.867 100.4 57.4 -56.5 -40.4 40.5 23.2 7.5 112 114 A L H X S+ 0 0 11 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.910 113.1 39.6 -56.6 -45.2 41.8 19.7 6.8 113 115 A I H X S+ 0 0 6 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.934 116.7 47.4 -71.4 -48.2 38.4 18.8 5.3 114 116 A V H X S+ 0 0 4 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.868 106.3 57.2 -69.1 -39.3 37.6 22.0 3.4 115 117 A G H < S+ 0 0 1 -4,-2.3 4,-0.3 -5,-0.2 3,-0.3 0.898 109.7 43.8 -56.5 -44.8 41.1 22.4 1.8 116 118 A A H < S+ 0 0 0 -4,-0.9 3,-0.3 -5,-0.2 -1,-0.2 0.854 120.9 37.3 -72.1 -36.8 41.0 19.0 0.0 117 119 A L H >X S+ 0 0 14 -4,-1.5 4,-1.5 1,-0.2 3,-0.8 0.403 84.9 98.0-100.3 2.0 37.4 19.2 -1.3 118 120 A A T 3< S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.1 0.808 79.6 58.9 -61.3 -33.9 37.1 22.9 -2.2 119 121 A E T 34 S+ 0 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3.3 17.0 273 287 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.901 111.1 52.7 -57.7 -43.4 56.0 5.0 16.5 274 288 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.939 110.1 45.6 -56.9 -53.4 57.7 7.4 14.0 275 289 A V H X S+ 0 0 53 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.933 115.5 46.3 -58.8 -49.5 59.3 4.8 11.8 276 290 A V H X S+ 0 0 57 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.914 112.5 51.3 -61.1 -44.1 56.1 2.6 11.7 277 291 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.898 108.4 50.5 -61.1 -43.3 53.9 5.7 10.9 278 292 A G H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.900 115.6 42.8 -62.2 -41.8 56.1 6.8 8.0 279 293 A L H X S+ 0 0 79 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.866 113.4 50.6 -72.6 -39.4 56.0 3.3 6.4 280 294 A A H X S+ 0 0 20 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.870 109.3 53.5 -64.2 -38.7 52.3 2.8 7.1 281 295 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.915 108.6 47.5 -60.7 -47.0 51.6 6.2 5.4 282 296 A L H X S+ 0 0 12 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.913 112.7 49.2 -62.5 -44.0 53.6 5.3 2.3 283 297 A W H X S+ 0 0 155 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.915 110.3 53.7 -56.5 -45.7 51.7 1.9 2.1 284 298 A G H < S+ 0 0 13 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.881 109.0 44.6 -58.7 -47.1 48.4 3.8 2.6 285 299 A V H < S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.760 108.7 58.9 -71.3 -25.7 48.9 6.3 -0.3 286 300 A T H < 0 0 90 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.806 360.0 360.0 -72.0 -31.0 50.1 3.5 -2.6 287 301 A M < 0 0 147 -4,-1.3 0, 0.0 -3,-0.2 0, 0.0 -0.493 360.0 360.0 -84.6 360.0 46.8 1.6 -2.2 288 ! 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 0.0 289 311 A P > 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 32.2 44.6 15.8 -2.7 290 312 A C T 3 + 0 0 32 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.443 360.0 83.0 -72.6 -0.4 42.3 13.2 -1.0 291 313 A D T >> S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.700 76.8 71.2 -69.4 -22.1 45.4 11.1 -0.3 292 314 A V H <> S+ 0 0 16 -3,-1.7 4,-2.5 1,-0.3 -1,-0.2 0.837 92.4 55.3 -63.2 -33.1 45.8 13.4 2.7 293 315 A F H 3> S+ 0 0 4 -3,-0.5 4,-1.1 -4,-0.2 -1,-0.3 0.698 103.5 56.7 -71.2 -19.4 42.8 11.5 4.1 294 316 A G H <> S+ 0 0 21 -3,-0.7 4,-1.8 -4,-0.3 5,-0.3 0.851 111.0 41.9 -75.7 -38.2 44.8 8.3 3.6 295 317 A V H X S+ 0 0 10 -4,-1.5 4,-2.2 2,-0.2 5,-0.4 0.950 117.1 45.3 -73.1 -52.0 47.7 9.6 5.7 296 318 A H H X S+ 0 0 11 -4,-2.5 4,-0.8 3,-0.2 -3,-0.2 0.834 119.7 43.1 -61.4 -33.5 45.6 11.2 8.5 297 319 A G H X S+ 0 0 13 -4,-1.1 4,-2.0 -5,-0.2 5,-0.2 0.948 119.2 38.2 -77.4 -54.6 43.3 8.1 8.7 298 320 A V H X S+ 0 0 41 -4,-1.8 4,-2.2 1,-0.2 -3,-0.2 0.948 121.1 45.2 -64.1 -48.6 45.9 5.3 8.5 299 321 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.796 110.7 55.5 -69.2 -28.8 48.5 7.1 10.7 300 322 A G H X S+ 0 0 0 -4,-0.8 4,-2.3 -5,-0.4 -1,-0.2 0.915 109.5 45.1 -64.5 -47.4 45.8 8.1 13.2 301 323 A I H X S+ 0 0 58 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.933 113.6 50.1 -61.9 -47.4 44.7 4.5 13.7 302 324 A V H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.938 112.5 47.9 -56.0 -49.0 48.3 3.3 14.0 303 325 A G H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.886 110.7 50.1 -58.2 -46.4 49.0 6.0 16.6 304 326 A C H X S+ 0 0 2 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.863 114.0 44.8 -64.2 -39.5 45.9 5.3 18.7 305 327 A I H >< S+ 0 0 54 -4,-2.3 3,-0.8 1,-0.2 4,-0.2 0.938 111.8 51.3 -68.2 -47.1 46.7 1.5 18.8 306 328 A M H >X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.2 3,-0.8 0.707 99.8 64.7 -67.7 -21.5 50.4 2.0 19.6 307 329 A T H 3X S+ 0 0 0 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.866 96.4 57.9 -65.0 -37.9 49.6 4.4 22.5 308 330 A G H << S+ 0 0 0 -3,-0.8 22,-0.3 -4,-0.8 -1,-0.2 0.526 114.8 38.2 -70.7 -7.3 47.9 1.4 24.3 309 331 A I H X4 S+ 0 0 49 -3,-0.8 3,-1.4 -4,-0.2 -2,-0.2 0.797 115.6 45.3-100.7 -54.6 51.3 -0.4 24.1 310 332 A F H 3< S+ 0 0 27 -4,-2.6 -44,-0.5 1,-0.3 -2,-0.2 0.469 93.0 76.3 -84.0 -2.6 54.0 2.2 24.7 311 333 A A T 3< S+ 0 0 0 -4,-1.2 8,-2.6 -5,-0.2 -1,-0.3 0.670 72.6 114.6 -71.3 -18.4 52.4 3.9 27.7 312 334 A A S X >S- 0 0 3 -3,-1.4 5,-2.1 7,-0.2 3,-1.5 -0.293 73.0-134.0 -56.7 132.5 53.6 0.8 29.7 313 335 A S G > 5S+ 0 0 84 1,-0.3 3,-1.8 3,-0.2 -1,-0.1 0.845 104.9 64.6 -52.7 -39.0 56.2 1.6 32.4 314 336 A S G 3 5S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 -4,-0.1 0.738 104.9 44.7 -56.7 -29.0 58.2 -1.4 31.1 315 337 A L G < 5S- 0 0 77 -3,-1.5 -49,-0.3 -6,-0.2 -46,-0.3 0.174 129.7 -89.5-106.6 14.0 58.7 0.3 27.7 316 338 A G T < 5S+ 0 0 52 -3,-1.8 -3,-0.2 1,-0.2 -49,-0.1 0.472 84.7 130.6 94.8 4.8 59.6 3.8 29.1 317 339 A G S - 0 0 70 1,-0.2 3,-1.6 -166,-0.1 -1,-0.1 -0.133 65.4 -65.9 -59.3 163.1 46.1 3.8 35.3 322 344 A E T 3 S+ 0 0 200 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.291 121.5 8.3 -53.9 133.5 45.7 1.7 38.5 323 345 A G T 3 S+ 0 0 90 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.604 96.3 126.4 70.4 16.7 44.4 -1.8 37.8 324 346 A V < - 0 0 34 -3,-1.6 -1,-0.2 4,-0.0 -4,-0.2 -0.933 43.0-158.5-112.5 116.7 44.7 -1.6 34.0 325 347 A T > - 0 0 95 -2,-0.6 4,-2.1 -3,-0.1 5,-0.2 -0.445 33.2-108.7 -79.7 164.5 46.6 -4.3 32.0 326 348 A M H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.854 120.7 55.1 -59.1 -38.1 48.1 -3.7 28.5 327 349 A G H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 108.0 47.8 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-47.6 38.6 4.1 17.0 338 360 A A H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.915 111.5 48.2 -58.7 -45.3 35.5 2.1 16.0 339 361 A I H X S+ 0 0 58 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.913 111.0 50.3 -63.1 -44.9 33.1 4.6 17.6 340 362 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.908 110.1 50.7 -59.2 -46.2 34.8 7.6 16.0 341 363 A I H X S+ 0 0 54 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.928 115.7 39.7 -59.2 -51.0 34.7 6.0 12.5 342 364 A V H X S+ 0 0 97 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.899 116.4 50.2 -68.8 -42.9 31.0 5.2 12.6 343 365 A W H X S+ 0 0 77 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.954 116.1 40.7 -60.9 -53.4 29.9 8.4 14.3 344 366 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.879 114.4 54.2 -61.8 -41.3 31.8 10.7 11.9 345 367 A G H X S+ 0 0 16 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.895 110.5 44.7 -60.2 -45.8 30.8 8.6 8.8 346 368 A V H X S+ 0 0 81 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.924 114.9 47.3 -64.9 -48.1 27.1 8.7 9.6 347 369 A V H X S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.902 111.2 50.9 -63.3 -44.8 27.0 12.5 10.4 348 370 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.935 108.1 52.7 -58.0 -48.8 29.1 13.4 7.2 349 371 A F H X S+ 0 0 98 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.913 111.0 47.9 -52.1 -46.8 26.7 11.4 5.0 350 372 A I H X S+ 0 0 89 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.873 112.4 49.1 -62.4 -41.0 23.7 13.3 6.5 351 373 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.931 112.2 45.8 -66.0 -49.5 25.5 16.7 6.0 352 374 A Y H X S+ 0 0 8 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.861 114.8 49.6 -60.9 -38.0 26.4 16.1 2.4 353 375 A K H X S+ 0 0 91 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.877 108.4 51.2 -71.1 -40.2 22.9 14.8 1.6 354 376 A L H X S+ 0 0 82 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.889 111.8 48.1 -64.1 -40.3 21.1 17.8 3.3 355 377 A A H X>S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-1.5 0.910 109.6 53.0 -62.9 -43.6 23.3 20.2 1.2 356 378 A D H <5S+ 0 0 78 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.797 110.4 47.6 -64.0 -31.1 22.6 18.2 -2.0 357 379 A L H <5S+ 0 0 150 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.719 120.2 37.8 -80.8 -23.5 18.8 18.5 -1.3 358 380 A T H <5S- 0 0 93 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.2 0.886 141.0 -5.5 -95.5 -48.9 18.9 22.2 -0.6 359 381 A V T <5S- 0 0 51 -4,-3.0 -3,-0.2 -5,-0.1 -234,-0.1 0.501 99.4-103.6-126.5 -12.7 21.5 23.8 -3.0 360 382 A G < - 0 0 18 -5,-1.5 -235,-0.2 -6,-0.1 -4,-0.1 0.374 21.7-124.9 83.4 136.1 23.1 20.8 -4.9 361 383 A L S S+ 0 0 27 -5,-0.1 -239,-2.6 -240,-0.1 -236,-0.2 0.944 79.0 79.6 -80.2 -53.4 26.6 19.6 -4.1 362 384 A R B S-B 121 0B 215 -241,-0.2 -241,-0.2 1,-0.1 -242,-0.1 -0.248 92.0 -95.4 -66.1 146.0 28.6 19.7 -7.4 363 385 A V 0 0 85 -243,-1.1 -1,-0.1 1,-0.1 -2,-0.1 -0.400 360.0 360.0 -62.9 128.0 30.1 23.0 -8.6 364 386 A P 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.887 360.0 360.0 -60.7 360.0 27.7 24.6 -11.1