==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECEPTOR 24-MAR-11 2YDV . COMPND 2 MOLECULE: ADENOSINE RECEPTOR A2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.LEBON,T.WARNE,P.C.EDWARDS,K.BENNETT,C.J.LANGMEAD,A.G.W.LES . 315 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 82.5 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 . 3 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 . 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 . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.8 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 3 2 2 0 1 0 0 0 2 0 0 1 0 1 0 1 0 0 0 0 1 0 0 1 0 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 . 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 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 I 0 0 85 0, 0.0 3,-0.1 0, 0.0 67,-0.0 0.000 360.0 360.0 360.0 -24.2 36.1 -0.8 -29.6 2 4 A M - 0 0 171 1,-0.1 2,-0.1 65,-0.0 63,-0.0 0.846 360.0-135.1 -39.7 -50.3 35.4 0.9 -33.0 3 5 A G - 0 0 28 64,-0.0 2,-0.5 4,-0.0 -1,-0.1 -0.386 9.1 -82.1 112.2 169.8 32.6 3.0 -31.4 4 6 A S > - 0 0 38 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.965 20.2-159.5-118.6 120.8 29.1 4.1 -32.1 5 7 A S H > S+ 0 0 90 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.799 95.1 58.1 -65.6 -32.7 28.4 7.1 -34.4 6 8 A V H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 108.3 46.2 -62.5 -45.9 24.9 7.6 -32.9 7 9 A Y H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.941 111.2 52.1 -60.0 -50.7 26.5 8.0 -29.5 8 10 A I H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.892 112.9 44.1 -52.7 -46.8 29.2 10.4 -30.8 9 11 A T H X S+ 0 0 83 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.888 113.2 48.4 -74.6 -40.8 26.6 12.7 -32.5 10 12 A V H X S+ 0 0 64 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.910 112.8 51.2 -59.8 -42.8 24.1 12.8 -29.6 11 13 A E H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.878 109.2 50.3 -61.9 -40.0 27.1 13.6 -27.3 12 14 A L H X S+ 0 0 92 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.877 106.8 55.2 -64.8 -39.8 28.1 16.4 -29.7 13 15 A A H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.942 106.5 50.2 -57.0 -50.3 24.5 17.8 -29.6 14 16 A I H X S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.882 106.2 56.0 -56.8 -44.1 24.6 18.0 -25.8 15 17 A A H X S+ 0 0 8 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.903 109.0 47.0 -54.9 -45.1 27.9 19.8 -25.9 16 18 A V H X S+ 0 0 82 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.968 113.4 46.7 -63.1 -54.3 26.4 22.5 -28.2 17 19 A L H X S+ 0 0 98 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.835 112.1 52.6 -56.2 -35.6 23.2 22.9 -26.0 18 20 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.916 113.5 42.3 -66.0 -45.0 25.5 23.1 -22.9 19 21 A I H X S+ 0 0 54 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.930 116.2 49.3 -66.0 -45.7 27.6 25.9 -24.4 20 22 A L H X S+ 0 0 105 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.952 113.7 42.9 -59.7 -56.4 24.6 27.8 -25.9 21 23 A G H X S+ 0 0 11 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.809 118.2 44.6 -60.7 -34.2 22.5 27.8 -22.7 22 24 A N H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.801 110.6 50.5 -91.3 -30.0 25.4 28.7 -20.3 23 25 A V H X S+ 0 0 56 -4,-2.3 4,-3.6 2,-0.2 5,-0.3 0.916 110.6 55.0 -60.2 -45.3 26.9 31.4 -22.5 24 26 A L H X S+ 0 0 29 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.915 108.2 47.2 -51.0 -48.9 23.3 32.7 -22.5 25 27 A V H X S+ 0 0 0 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.917 116.5 43.0 -59.4 -47.3 23.3 32.6 -18.7 26 28 A C H X S+ 0 0 32 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.898 111.5 53.3 -70.2 -43.1 26.7 34.4 -18.4 27 29 A W H X S+ 0 0 123 -4,-3.6 4,-2.2 1,-0.2 3,-0.2 0.906 105.5 57.0 -54.0 -45.3 25.9 36.9 -21.2 28 30 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.810 106.0 48.6 -58.9 -34.9 22.7 37.8 -19.3 29 31 A V H < S+ 0 0 17 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.827 110.2 51.5 -76.1 -32.1 24.7 38.7 -16.1 30 32 A W H < S+ 0 0 193 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.914 117.8 36.4 -71.5 -44.0 27.2 40.9 -17.9 31 33 A L H < S+ 0 0 94 -4,-2.2 2,-0.2 -5,-0.1 -2,-0.2 0.991 107.5 66.6 -69.8 -65.8 24.5 43.0 -19.8 32 34 A N < - 0 0 16 -4,-1.5 3,-0.2 -5,-0.2 4,-0.1 -0.415 62.1-162.7 -66.9 125.1 21.8 43.3 -17.1 33 35 A S S > S+ 0 0 89 -2,-0.2 3,-0.8 1,-0.2 -1,-0.1 0.684 87.6 63.5 -81.8 -21.4 22.9 45.3 -14.1 34 36 A N T 3 S+ 0 0 112 1,-0.2 -1,-0.2 251,-0.1 -5,-0.1 0.762 99.0 56.0 -70.1 -27.5 20.1 44.0 -11.9 35 37 A L T 3 S+ 0 0 6 -7,-0.2 2,-1.4 -3,-0.2 -1,-0.2 0.493 82.2 97.0 -82.5 -4.4 21.6 40.5 -12.2 36 38 A Q < + 0 0 98 -3,-0.8 2,-0.3 -4,-0.1 -1,-0.2 -0.426 57.2 111.5 -91.4 62.3 25.0 41.7 -10.9 37 39 A N S > S- 0 0 72 -2,-1.4 3,-1.8 1,-0.0 4,-0.5 -0.865 80.5 -96.4-127.9 168.1 24.7 40.7 -7.2 38 40 A V T >> S+ 0 0 33 -2,-0.3 3,-1.8 1,-0.3 4,-0.6 0.832 115.1 63.6 -51.0 -46.9 26.4 38.1 -4.9 39 41 A T H 3> S+ 0 0 22 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.771 100.4 55.1 -48.3 -31.9 23.7 35.4 -5.3 40 42 A N H <> S+ 0 0 15 -3,-1.8 4,-3.0 1,-0.2 -1,-0.3 0.615 85.5 77.5 -87.5 -12.2 24.5 35.2 -9.0 41 43 A Y H <> S+ 0 0 87 -3,-1.8 4,-2.4 -4,-0.5 -1,-0.2 0.887 96.9 50.8 -56.4 -39.2 28.3 34.5 -8.6 42 44 A F H X S+ 0 0 9 -4,-0.6 4,-1.6 -3,-0.5 54,-0.2 0.831 111.3 46.8 -68.9 -33.6 27.1 31.0 -7.7 43 45 A V H X S+ 0 0 0 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.880 112.5 49.6 -73.1 -39.5 25.0 30.8 -10.9 44 46 A V H X S+ 0 0 46 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.904 109.7 51.7 -66.0 -42.8 27.9 32.2 -13.0 45 47 A S H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.942 111.8 46.2 -55.2 -52.0 30.4 29.7 -11.5 46 48 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 46,-0.3 -2,-0.2 0.903 113.7 48.3 -60.9 -44.5 28.0 26.8 -12.3 47 49 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.887 110.7 51.9 -63.6 -41.3 27.4 28.1 -15.8 48 50 A A H X S+ 0 0 44 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.945 109.7 48.9 -58.2 -50.9 31.1 28.6 -16.4 49 51 A A H X S+ 0 0 1 -4,-2.6 4,-1.4 1,-0.2 40,-0.2 0.844 108.3 54.0 -57.4 -39.0 31.8 24.9 -15.3 50 52 A D H X S+ 0 0 3 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.829 105.2 54.5 -66.9 -33.8 29.1 23.6 -17.7 51 53 A I H >X S+ 0 0 35 -4,-1.6 4,-3.1 -3,-0.3 3,-0.6 0.968 106.6 50.4 -60.7 -53.4 30.7 25.5 -20.6 52 54 A L H 3X>S+ 0 0 60 -4,-2.0 4,-2.3 1,-0.3 5,-2.0 0.801 107.2 55.7 -55.8 -30.6 34.0 23.7 -19.8 53 55 A V H 3<>S+ 0 0 0 -4,-1.4 5,-2.9 3,-0.2 -1,-0.3 0.886 113.1 41.0 -65.9 -40.1 32.0 20.4 -19.8 54 56 A G H <<5S+ 0 0 4 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.893 123.8 37.0 -73.6 -44.0 30.8 21.2 -23.3 55 57 A V H <5S+ 0 0 75 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.948 137.6 7.2 -75.1 -51.7 34.1 22.6 -24.6 56 58 A L T X5S+ 0 0 59 -4,-2.3 4,-2.0 -5,-0.3 -3,-0.2 0.893 124.0 50.1-101.6 -51.6 36.6 20.2 -22.9 57 59 A A H > S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.934 113.4 47.8 -57.3 -43.7 35.2 16.0 -26.5 60 62 A F H X S+ 0 0 67 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.862 109.8 53.1 -60.0 -38.7 37.6 14.2 -24.2 61 63 A A H X S+ 0 0 12 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.861 105.7 53.6 -67.0 -37.3 34.8 11.7 -23.3 62 64 A I H >< S+ 0 0 26 -4,-2.3 3,-0.9 2,-0.2 4,-0.5 0.931 107.9 50.6 -60.4 -47.9 34.1 11.0 -27.0 63 65 A A H ><>S+ 0 0 32 -4,-1.8 3,-1.9 1,-0.2 5,-0.5 0.926 105.6 55.2 -55.3 -49.3 37.8 10.1 -27.5 64 66 A I H 3<5S+ 0 0 9 -4,-1.9 102,-0.5 1,-0.3 3,-0.3 0.673 101.7 59.8 -61.9 -19.1 37.9 7.7 -24.5 65 67 A S T <<5S+ 0 0 18 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.644 96.4 61.8 -82.5 -14.7 34.9 5.8 -26.1 66 68 A T T < 5S- 0 0 44 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.620 94.7-135.3 -89.0 -16.9 36.9 5.0 -29.3 67 69 A G T 5 - 0 0 0 97,-1.0 98,-0.2 -4,-0.5 -3,-0.1 0.910 37.3-179.9 58.9 45.2 39.7 2.9 -27.6 68 70 A F < - 0 0 68 -5,-0.5 96,-3.0 96,-0.5 2,-0.4 -0.272 35.0 -89.5 -70.7 162.3 42.4 4.7 -29.7 69 71 A a E +A 163 0A 47 94,-0.2 2,-0.3 86,-0.1 94,-0.2 -0.635 66.7 128.9 -81.1 125.8 46.1 3.8 -29.3 70 72 A A E -A 162 0A 18 92,-1.6 92,-2.4 -2,-0.4 2,-0.2 -0.982 62.6 -72.4-163.2 163.9 48.0 5.7 -26.6 71 73 A A >> - 0 0 54 -2,-0.3 4,-2.2 90,-0.2 3,-1.3 -0.479 46.7-123.9 -60.3 131.0 50.3 5.6 -23.6 72 74 A b H 3> S+ 0 0 18 88,-0.3 4,-2.2 1,-0.3 5,-0.1 0.842 110.6 50.6 -45.6 -44.2 48.3 4.3 -20.6 73 75 A H H 3> S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.713 108.3 51.6 -75.6 -22.1 49.2 7.4 -18.5 74 76 A G H <> S+ 0 0 36 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.843 111.3 49.0 -74.3 -38.0 48.1 9.7 -21.3 75 77 A c H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.873 109.7 51.3 -67.2 -39.0 44.8 7.9 -21.4 76 78 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.858 105.8 55.7 -66.9 -36.0 44.4 8.1 -17.6 77 79 A F H X S+ 0 0 109 -4,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.844 107.6 48.1 -67.1 -36.6 45.0 11.9 -17.6 78 80 A I H X S+ 0 0 42 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.905 112.4 48.3 -69.5 -43.5 42.2 12.5 -20.1 79 81 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.878 111.6 51.5 -63.2 -37.3 39.8 10.3 -18.1 80 82 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.821 106.5 53.7 -67.6 -32.6 40.9 12.2 -15.0 81 83 A F H X S+ 0 0 55 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.828 105.4 52.9 -74.8 -31.8 40.2 15.5 -16.7 82 84 A V H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.898 111.1 49.0 -62.8 -40.3 36.7 14.4 -17.6 83 85 A L H X S+ 0 0 11 -4,-1.6 4,-1.8 51,-0.2 -2,-0.2 0.913 110.1 48.5 -67.7 -47.0 36.2 13.6 -13.9 84 86 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 50,-0.2 -1,-0.2 0.909 113.7 46.2 -58.3 -47.4 37.5 16.9 -12.5 85 87 A L H X S+ 0 0 5 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.878 113.8 46.3 -71.1 -40.8 35.4 19.1 -14.9 86 88 A T H X S+ 0 0 15 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.834 111.6 54.8 -67.1 -31.8 32.2 17.2 -14.3 87 89 A A H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.920 105.1 51.0 -66.5 -45.5 32.9 17.3 -10.6 88 90 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.886 107.7 54.8 -57.9 -41.7 33.3 21.1 -10.6 89 91 A S H X S+ 0 0 2 -4,-1.6 4,-1.0 -40,-0.2 -1,-0.2 0.909 111.4 44.1 -55.0 -47.2 29.9 21.2 -12.4 90 92 A I H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.918 115.6 46.4 -65.4 -46.6 28.3 19.2 -9.6 91 93 A F H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.866 110.6 50.5 -70.4 -38.7 30.0 21.2 -6.7 92 94 A S H X S+ 0 0 4 -4,-2.6 4,-0.9 2,-0.2 -46,-0.3 0.769 109.5 53.4 -70.3 -25.0 29.2 24.6 -8.1 93 95 A L H X S+ 0 0 3 -4,-1.0 4,-1.3 -5,-0.3 3,-0.3 0.878 106.2 52.9 -71.2 -40.1 25.6 23.4 -8.5 94 96 A L H X S+ 0 0 22 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.875 100.6 61.7 -57.6 -40.9 25.7 22.5 -4.8 95 97 A A H X S+ 0 0 7 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.863 99.9 54.5 -57.1 -38.1 26.9 26.0 -3.9 96 98 A I H X S+ 0 0 1 -4,-0.9 4,-2.4 -3,-0.3 -1,-0.2 0.936 109.0 48.3 -59.1 -46.5 23.6 27.4 -5.4 97 99 A A H X S+ 0 0 2 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.875 111.2 48.2 -62.9 -42.4 21.6 25.1 -3.0 98 100 A I H X S+ 0 0 75 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.879 111.4 52.8 -65.9 -38.2 23.6 26.0 0.1 99 101 A D H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.940 110.3 45.7 -59.3 -51.7 23.2 29.7 -0.8 100 102 A R H X S+ 0 0 46 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.795 109.6 57.8 -63.2 -30.8 19.4 29.3 -1.1 101 103 A Y H X S+ 0 0 92 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.965 110.3 40.9 -61.9 -54.3 19.4 27.4 2.2 102 104 A I H X S+ 0 0 33 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 113.5 55.7 -59.8 -43.4 21.1 30.3 4.1 103 105 A A H < S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.1 34.9 -60.0 -38.8 18.9 32.8 2.2 104 106 A I H < S+ 0 0 27 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.868 124.6 39.7 -86.2 -40.1 15.6 31.2 3.3 105 107 A R H < S+ 0 0 97 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.902 131.1 23.6 -79.9 -42.7 16.6 29.9 6.8 106 108 A I S X S+ 0 0 85 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 -0.655 71.3 158.4-121.3 73.8 18.6 33.0 7.9 107 109 A P T 4 + 0 0 78 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.727 67.3 59.5 -74.3 -20.9 17.3 35.8 5.8 108 110 A L T >4 S+ 0 0 166 1,-0.2 3,-0.6 2,-0.1 4,-0.2 0.986 114.0 29.1 -69.4 -62.7 18.4 38.6 8.2 109 111 A R T >> S+ 0 0 188 1,-0.2 4,-2.7 2,-0.1 3,-1.3 0.565 93.6 98.7 -79.0 -9.1 22.2 38.0 8.3 110 112 A Y H 3X S+ 0 0 16 -4,-1.0 4,-2.8 1,-0.3 -1,-0.2 0.838 82.5 49.9 -44.0 -45.7 22.4 36.5 4.8 111 113 A N H <4 S+ 0 0 128 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.737 116.5 41.3 -73.0 -23.9 23.6 39.9 3.3 112 114 A G H <4 S+ 0 0 53 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.725 121.6 41.9 -89.6 -28.1 26.3 40.3 5.9 113 115 A L H < S+ 0 0 78 -4,-2.7 2,-1.5 1,-0.2 -2,-0.2 0.925 109.5 53.5 -84.2 -52.9 27.3 36.6 5.8 114 116 A V S < S+ 0 0 15 -4,-2.8 -1,-0.2 -5,-0.2 2,-0.1 -0.620 77.9 164.4 -90.3 80.6 27.3 35.8 2.1 115 117 A T > - 0 0 41 -2,-1.5 4,-2.1 -3,-0.2 5,-0.2 -0.419 52.7-103.4 -90.7 169.1 29.5 38.6 0.7 116 118 A G H > S+ 0 0 19 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.816 122.3 48.3 -60.5 -34.5 31.2 38.8 -2.7 117 119 A T H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.906 111.6 47.8 -73.6 -44.8 34.6 37.8 -1.2 118 120 A R H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.813 106.4 59.4 -64.9 -31.3 33.2 34.8 0.7 119 121 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.841 105.0 48.8 -64.4 -35.3 31.4 33.7 -2.5 120 122 A K H X S+ 0 0 130 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.813 106.3 57.7 -74.7 -32.0 34.8 33.5 -4.3 121 123 A G H X S+ 0 0 35 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.966 108.9 45.0 -54.3 -55.2 36.0 31.5 -1.3 122 124 A I H X S+ 0 0 72 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 111.1 53.5 -58.1 -44.9 33.3 29.0 -1.9 123 125 A I H X S+ 0 0 42 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.922 109.6 48.1 -55.2 -48.7 33.9 28.9 -5.7 124 126 A A H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.913 108.5 54.0 -59.7 -46.7 37.7 28.2 -5.1 125 127 A I H X S+ 0 0 100 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.885 103.8 57.1 -52.4 -42.9 36.7 25.4 -2.6 126 128 A C H X S+ 0 0 12 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.877 111.5 42.3 -56.8 -39.5 34.5 23.9 -5.4 127 129 A W H X S+ 0 0 65 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.789 110.3 54.8 -80.9 -30.8 37.6 23.7 -7.7 128 130 A V H X S+ 0 0 94 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.961 110.8 46.5 -64.2 -50.3 40.0 22.4 -5.0 129 131 A L H X S+ 0 0 75 -4,-2.5 4,-1.6 1,-0.2 5,-0.2 0.821 110.1 55.1 -59.2 -34.4 37.7 19.5 -4.2 130 132 A S H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.2 5,-0.2 0.920 112.4 40.8 -66.9 -45.2 37.3 18.8 -8.0 131 133 A F H X S+ 0 0 87 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.945 113.4 53.0 -67.5 -50.9 41.1 18.5 -8.6 132 134 A A H < S+ 0 0 59 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.850 119.3 35.5 -52.1 -38.8 41.8 16.6 -5.4 133 135 A I H >< S+ 0 0 9 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.913 119.7 44.2 -86.7 -47.5 39.1 14.0 -6.3 134 136 A G H 3< S+ 0 0 1 -4,-2.5 -50,-0.2 -5,-0.2 -51,-0.2 0.725 117.3 46.7 -73.1 -23.4 39.3 13.8 -10.1 135 137 A L T >X S+ 0 0 52 -4,-2.4 3,-2.0 -5,-0.2 4,-0.7 0.478 82.1 99.1 -94.0 -6.4 43.2 13.7 -10.0 136 138 A T G X4>S+ 0 0 25 -3,-0.6 3,-1.3 1,-0.3 5,-0.8 0.864 77.3 59.1 -48.5 -42.8 43.3 11.0 -7.2 137 139 A P G >45S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.762 94.6 66.2 -59.6 -24.1 43.9 8.3 -9.9 138 140 A M G <45S+ 0 0 63 -3,-2.0 -2,-0.2 1,-0.2 4,-0.1 0.820 90.0 64.9 -62.6 -32.7 47.0 10.1 -11.0 139 141 A L G <<5S- 0 0 154 -3,-1.3 -1,-0.2 -4,-0.7 -3,-0.1 0.523 134.9 -74.9 -71.9 -8.1 48.7 9.4 -7.6 140 142 A G T < 5S+ 0 0 53 -3,-1.2 2,-2.3 -4,-0.2 -2,-0.1 0.172 99.1 117.8 135.1 -19.6 48.7 5.7 -8.2 141 143 A W < + 0 0 96 -5,-0.8 2,-0.3 2,-0.1 -2,-0.1 -0.480 59.0 102.1 -76.1 72.1 45.1 4.5 -7.8 142 144 A N S S- 0 0 26 -2,-2.3 3,-0.4 28,-0.1 28,-0.2 -0.911 79.1-116.5-149.3 172.7 44.8 3.3 -11.4 143 145 A N S > S+ 0 0 48 26,-2.2 3,-1.6 -2,-0.3 27,-0.1 0.293 81.6 104.4 -97.8 8.4 44.8 0.3 -13.7 144 146 A b T 3 + 0 0 11 25,-0.3 -1,-0.2 1,-0.3 -72,-0.1 0.659 69.1 66.3 -69.4 -18.0 48.0 1.3 -15.6 145 147 A G T 3 S+ 0 0 55 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.729 105.1 46.9 -69.1 -23.1 50.1 -1.3 -13.8 146 148 A Q S < S- 0 0 136 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.1 -0.567 80.4-178.5-122.9 67.0 48.1 -4.0 -15.5 147 149 A P - 0 0 54 0, 0.0 2,-0.8 0, 0.0 -3,-0.1 -0.183 29.1-119.9 -65.8 158.0 47.8 -3.2 -19.2 148 150 A K > + 0 0 109 1,-0.2 4,-1.7 15,-0.1 15,-0.4 -0.861 30.6 175.8-106.8 101.3 45.8 -5.4 -21.6 149 151 A E H > S+ 0 0 130 -2,-0.8 4,-2.5 2,-0.2 5,-0.2 0.857 77.6 57.4 -71.3 -40.1 48.1 -6.7 -24.3 150 152 A G H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.872 113.9 39.3 -59.4 -41.3 45.4 -9.0 -26.0 151 153 A K H > S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.826 113.9 54.8 -76.6 -36.1 43.1 -6.0 -26.5 152 154 A A H <>S+ 0 0 7 -4,-1.7 5,-2.5 2,-0.2 -2,-0.2 0.850 108.7 49.7 -64.9 -36.1 46.0 -3.7 -27.4 153 155 A H H ><5S+ 0 0 153 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.930 105.3 55.7 -67.4 -48.2 47.1 -6.2 -30.1 154 156 A S H 3<5S+ 0 0 99 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.2 49.2 -55.7 -32.0 43.6 -6.5 -31.6 155 157 A Q T 3<5S- 0 0 72 -4,-1.2 -1,-0.3 -87,-0.0 -2,-0.2 0.426 115.3-118.4 -87.0 -1.0 43.5 -2.7 -32.1 156 158 A G T < 5 + 0 0 64 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.855 52.0 169.1 65.0 38.1 47.0 -2.8 -33.8 157 159 A a < - 0 0 21 -5,-2.5 -1,-0.2 -6,-0.1 4,-0.1 -0.603 34.3-114.8 -81.0 141.4 48.7 -0.6 -31.1 158 160 A G > - 0 0 40 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 -0.189 51.3 -67.8 -66.6 165.8 52.4 -0.3 -31.1 159 161 A E T 3 S+ 0 0 204 1,-0.2 -1,-0.2 -6,-0.0 3,-0.1 -0.312 123.9 26.8 -61.9 135.5 54.5 -1.7 -28.2 160 162 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 -3,-0.1 -88,-0.3 0.679 103.8 105.7 82.4 20.3 54.0 0.2 -25.0 161 163 A Q < - 0 0 74 -3,-1.1 -1,-0.3 -90,-0.1 2,-0.3 -0.954 47.5-167.1-130.9 152.1 50.5 1.3 -26.0 162 164 A V E -A 70 0A 16 -92,-2.4 -92,-1.6 -2,-0.3 2,-0.6 -0.908 37.9 -89.6-132.6 159.2 47.0 0.3 -25.0 163 165 A A E -A 69 0A 4 -15,-0.4 2,-1.5 -2,-0.3 -94,-0.2 -0.608 48.0-126.0 -67.1 114.5 43.4 0.8 -26.2 164 166 A c + 0 0 0 -96,-3.0 -97,-1.0 -2,-0.6 -96,-0.5 -0.500 49.8 152.0 -73.6 89.4 42.3 4.0 -24.4 165 167 A L >> - 0 0 28 -2,-1.5 3,-1.1 -98,-0.2 4,-0.8 -0.924 48.7-130.1-117.2 148.6 39.1 3.0 -22.6 166 168 A F H >> S+ 0 0 61 -102,-0.5 4,-2.7 -2,-0.3 3,-1.2 0.942 108.7 48.4 -59.4 -53.6 37.7 4.5 -19.4 167 169 A E H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.439 107.7 59.6 -70.5 -0.2 37.1 1.2 -17.6 168 170 A D H <4 S+ 0 0 28 -3,-1.1 -1,-0.2 3,-0.1 -2,-0.2 0.638 118.4 23.6-100.5 -19.9 40.7 0.2 -18.5 169 171 A V H << S+ 0 0 2 -3,-1.2 -26,-2.2 -4,-0.8 -25,-0.3 0.708 113.9 65.8-112.3 -35.8 42.5 3.0 -16.8 170 172 A V S < S- 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -28,-0.1 -0.815 84.6-128.3 -94.3 120.0 40.1 4.2 -14.1 171 173 A P > - 0 0 5 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.333 5.4-133.9 -69.6 146.4 39.5 1.5 -11.4 172 174 A M H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.771 104.5 57.1 -69.3 -28.4 36.0 0.5 -10.4 173 175 A N H >>S+ 0 0 57 2,-0.2 4,-3.3 1,-0.2 5,-0.6 0.914 105.9 50.7 -71.3 -39.2 36.6 0.7 -6.7 174 176 A Y H >>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-1.4 0.918 113.4 46.5 -53.6 -48.5 37.7 4.3 -7.0 175 177 A M H <>S+ 0 0 6 -4,-1.6 5,-2.4 3,-0.2 -2,-0.2 0.892 121.7 35.4 -62.6 -42.2 34.5 5.0 -9.0 176 178 A V H <5S+ 0 0 3 -4,-2.3 5,-0.4 3,-0.2 -2,-0.2 0.917 126.0 33.8 -82.5 -46.7 32.3 3.2 -6.5 177 179 A Y H <5S+ 0 0 126 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.798 134.7 14.8 -84.9 -32.8 33.9 3.9 -3.1 178 180 A F T XXS+ 0 0 8 -5,-2.6 4,-2.4 1,-0.2 5,-0.6 0.895 115.4 48.1 -63.0 -48.0 33.8 9.1 -6.7 180 182 A F H >XS+ 0 0 25 -5,-2.4 5,-2.9 -6,-0.3 4,-1.3 0.916 119.3 39.6 -58.7 -44.8 30.1 8.0 -6.3 181 183 A F H 4>S+ 0 0 90 -5,-0.4 5,-2.2 3,-0.2 -2,-0.2 0.932 122.7 38.8 -73.4 -46.8 30.0 8.9 -2.6 182 184 A A H <5S+ 0 0 25 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.889 128.6 29.4 -69.5 -41.7 32.0 12.2 -2.8 183 185 A C H <5S+ 0 0 2 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.735 133.6 15.4 -97.5 -27.5 30.6 13.5 -6.1 184 186 A V T X S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.903 114.8 51.0 -48.9 -45.5 25.8 16.4 -2.9 188 190 A L H X S+ 0 0 19 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.916 111.9 45.6 -59.1 -47.4 22.4 14.8 -3.8 189 191 A L H X S+ 0 0 101 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.887 113.5 50.1 -64.6 -39.5 21.6 14.1 -0.1 190 192 A L H X S+ 0 0 90 -4,-2.9 4,-1.6 -5,-0.2 -2,-0.2 0.906 113.7 44.8 -63.3 -43.2 22.7 17.7 0.8 191 193 A M H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.878 112.4 51.4 -70.6 -38.7 20.5 19.2 -1.9 192 194 A L H X S+ 0 0 67 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.879 110.1 50.9 -62.0 -38.7 17.6 17.0 -1.1 193 195 A G H X S+ 0 0 35 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.821 108.7 51.1 -67.3 -34.5 18.0 18.1 2.5 194 196 A V H X S+ 0 0 12 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.900 110.4 49.1 -68.4 -42.6 18.0 21.7 1.5 195 197 A Y H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.903 108.3 53.4 -62.2 -42.5 14.8 21.2 -0.6 196 198 A L H X S+ 0 0 82 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.794 108.8 49.8 -66.8 -27.5 13.1 19.5 2.4 197 199 A R H X S+ 0 0 108 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.819 111.6 47.1 -79.0 -33.8 13.8 22.4 4.7 198 200 A I H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.867 112.2 51.5 -72.4 -37.5 12.5 25.0 2.2 199 201 A F H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 108.4 50.7 -62.3 -45.6 9.4 22.8 1.7 200 202 A L H X S+ 0 0 37 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.787 106.7 55.1 -64.6 -30.6 8.8 22.6 5.5 201 203 A A H X S+ 0 0 11 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.887 109.1 47.6 -66.5 -41.0 9.1 26.4 5.7 202 204 A A H X S+ 0 0 12 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.881 109.8 53.0 -66.1 -39.9 6.3 26.7 3.1 203 205 A R H X S+ 0 0 149 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.841 109.6 48.4 -64.7 -35.5 4.2 24.2 5.0 204 206 A R H X S+ 0 0 147 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.891 112.4 47.6 -72.2 -41.6 4.5 26.2 8.2 205 207 A Q H X S+ 0 0 58 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.874 112.3 51.3 -62.4 -39.3 3.6 29.5 6.4 206 208 A L H < S+ 0 0 101 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.825 105.9 54.2 -69.7 -33.7 0.6 27.7 4.8 207 209 A K H >< S+ 0 0 152 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.764 102.4 57.9 -72.3 -25.9 -0.6 26.3 8.2 208 210 A Q H >< S+ 0 0 129 -4,-1.1 3,-0.7 1,-0.2 -1,-0.2 0.748 92.2 69.0 -73.9 -24.8 -0.7 29.9 9.6 209 211 A M T 3< S+ 0 0 120 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.536 76.8 83.8 -71.6 -7.1 -3.1 30.9 6.9 210 212 A E T < S+ 0 0 149 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.3 0.081 89.8 59.1 -80.9 21.2 -5.6 28.7 8.6 211 213 A S < 0 0 100 -3,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.963 360.0 360.0-147.1 137.1 -6.3 31.7 10.8 212 214 A Q 0 0 252 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.902 360.0 360.0 -95.8 360.0 -7.4 35.2 9.7 213 ! 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 0.0 214 223 A S > 0 0 121 0, 0.0 4,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -9.3 4.8 37.5 0.6 215 224 A T H > + 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.797 360.0 61.8 -69.9 -30.5 7.4 35.1 2.1 216 225 A L H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 101.8 50.6 -63.4 -39.5 5.1 32.1 1.1 217 226 A Q H > S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 110.3 49.8 -67.1 -38.0 5.4 33.0 -2.6 218 227 A K H X S+ 0 0 143 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.911 113.7 45.6 -64.4 -44.0 9.2 33.2 -2.4 219 228 A E H X S+ 0 0 16 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.857 111.9 49.8 -70.3 -38.9 9.5 29.8 -0.6 220 229 A V H X S+ 0 0 78 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.919 113.8 46.5 -66.5 -44.2 7.0 28.0 -2.9 221 230 A H H X S+ 0 0 79 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.916 114.9 47.9 -60.5 -44.2 8.9 29.3 -6.0 222 231 A A H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 109.6 51.2 -63.2 -45.7 12.2 28.3 -4.3 223 232 A A H X S+ 0 0 9 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.860 110.6 49.9 -61.8 -37.1 11.1 24.8 -3.3 224 233 A K H X S+ 0 0 117 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.925 109.3 51.7 -65.6 -45.5 10.0 24.2 -6.9 225 234 A S H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.864 112.7 45.6 -58.6 -39.0 13.4 25.4 -8.2 226 235 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.783 107.6 56.4 -78.0 -29.3 15.1 23.0 -5.9 227 236 A A H X S+ 0 0 35 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.886 108.7 48.9 -65.8 -38.5 12.9 20.1 -6.8 228 237 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