==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 06-APR-11 3RFM . COMPND 2 MOLECULE: ADENOSINE RECEPTOR A2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.S.DORE,N.ROBERTSON,J.C.ERREY,I.NG,K.HOLLENSTEIN,B.TEHAN,E. . 291 2 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 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 . 4 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 . 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.1 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 1 0 1 0 0 1 0 1 0 0 0 1 0 0 1 0 0 0 0 1 1 1 0 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 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 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 7 A S > 0 0 127 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 21.8 7.4 -34.7 -51.4 2 8 A V H > + 0 0 114 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.920 360.0 49.2 -81.2 -49.6 9.3 -31.5 -50.7 3 9 A Y H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 112.7 50.7 -53.4 -43.7 9.5 -31.9 -46.9 4 10 A I H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 108.8 50.9 -60.1 -47.5 10.8 -35.5 -47.6 5 11 A T H X S+ 0 0 91 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.924 112.1 45.9 -57.4 -48.3 13.4 -34.2 -50.0 6 12 A V H X S+ 0 0 63 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.886 110.6 53.3 -64.2 -40.3 14.7 -31.6 -47.5 7 13 A E H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.862 111.2 46.6 -63.2 -36.5 14.8 -34.1 -44.7 8 14 A L H X S+ 0 0 89 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.879 107.8 56.9 -70.9 -39.3 16.9 -36.4 -46.9 9 15 A A H X S+ 0 0 50 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.913 110.2 44.6 -57.3 -44.6 19.1 -33.6 -47.9 10 16 A I H X S+ 0 0 17 -4,-2.1 4,-3.4 1,-0.2 5,-0.3 0.921 106.8 58.9 -65.9 -45.9 19.9 -32.9 -44.2 11 17 A A H X S+ 0 0 14 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.872 105.9 50.4 -52.2 -40.9 20.4 -36.6 -43.4 12 18 A V H X S+ 0 0 75 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.951 114.3 41.9 -62.7 -51.8 23.2 -36.8 -46.0 13 19 A L H X S+ 0 0 79 -4,-1.6 4,-3.3 1,-0.2 5,-0.4 0.921 110.5 56.7 -62.6 -46.5 25.0 -33.8 -44.6 14 20 A A H X S+ 0 0 0 -4,-3.4 4,-1.4 2,-0.2 5,-0.2 0.881 115.1 39.5 -53.0 -41.8 24.5 -34.8 -41.0 15 21 A I H X S+ 0 0 57 -4,-1.7 4,-2.8 -5,-0.3 5,-0.4 0.990 118.0 44.4 -70.9 -64.4 26.2 -38.1 -41.8 16 22 A L H X S+ 0 0 113 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.876 117.0 48.2 -48.0 -46.8 29.0 -36.9 -44.1 17 23 A G H X S+ 0 0 11 -4,-3.3 4,-1.6 -5,-0.2 -1,-0.2 0.982 116.9 36.1 -61.1 -65.0 29.8 -34.0 -41.8 18 24 A N H X S+ 0 0 1 -4,-1.4 4,-2.2 -5,-0.4 -1,-0.2 0.819 117.1 54.3 -62.7 -33.1 30.0 -35.6 -38.4 19 25 A V H X S+ 0 0 62 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.893 106.7 52.2 -65.4 -39.8 31.6 -38.8 -39.9 20 26 A L H X S+ 0 0 46 -4,-1.9 4,-2.2 -5,-0.4 -2,-0.2 0.852 108.8 52.0 -62.4 -35.2 34.2 -36.5 -41.5 21 27 A V H X S+ 0 0 2 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.923 109.3 47.3 -67.3 -46.2 34.8 -35.1 -38.0 22 28 A C H X S+ 0 0 35 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.867 114.1 48.4 -63.9 -37.3 35.3 -38.5 -36.4 23 29 A W H X S+ 0 0 136 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.902 108.2 53.8 -68.8 -42.6 37.6 -39.6 -39.1 24 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.840 111.2 46.6 -61.5 -34.6 39.7 -36.4 -38.9 25 31 A V H < S+ 0 0 15 -4,-1.7 6,-0.3 1,-0.2 -1,-0.2 0.876 110.8 50.8 -74.3 -39.4 40.1 -37.0 -35.1 26 32 A W H < S+ 0 0 200 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.650 117.7 41.7 -74.0 -15.0 41.1 -40.6 -35.6 27 33 A L H < S+ 0 0 87 -4,-1.2 2,-0.7 1,-0.2 -2,-0.2 0.886 110.1 53.5 -94.6 -56.3 43.6 -39.6 -38.2 28 34 A N >< - 0 0 25 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 -0.747 63.2-163.7 -87.8 114.3 45.2 -36.5 -36.7 29 35 A S G > S+ 0 0 84 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.627 84.0 75.5 -71.7 -13.1 46.5 -37.2 -33.2 30 36 A N G 3 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.521 97.7 47.4 -74.8 -5.0 46.7 -33.4 -32.6 31 37 A L G < S+ 0 0 7 -3,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 0.316 85.1 93.0-113.7 2.7 42.9 -33.5 -32.2 32 38 A Q < + 0 0 87 -3,-1.1 -1,-0.1 -4,-0.1 -2,-0.1 -0.056 55.3 137.7 -91.7 33.4 42.8 -36.5 -29.9 33 39 A N S > S- 0 0 75 -3,-0.1 3,-0.8 1,-0.1 4,-0.5 -0.338 72.0-103.3 -73.4 160.8 42.8 -34.4 -26.7 34 40 A V T > S+ 0 0 30 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.827 119.4 62.5 -53.6 -34.0 40.5 -35.2 -23.8 35 41 A T T >> S+ 0 0 11 1,-0.2 3,-1.3 2,-0.2 4,-0.7 0.911 98.2 53.2 -58.9 -46.3 38.3 -32.3 -24.8 36 42 A N H <> S+ 0 0 17 -3,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.500 86.5 82.5 -74.9 -3.2 37.4 -33.8 -28.2 37 43 A Y H <> S+ 0 0 96 -3,-1.1 4,-1.0 -4,-0.5 -1,-0.3 0.873 97.2 43.8 -63.4 -36.3 36.3 -37.1 -26.6 38 44 A F H <> S+ 0 0 10 -3,-1.3 4,-2.2 -4,-0.5 -2,-0.2 0.844 106.5 59.7 -75.5 -36.0 33.0 -35.3 -25.9 39 45 A V H X S+ 0 0 6 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.846 102.6 54.2 -59.9 -33.7 32.9 -33.8 -29.4 40 46 A V H X S+ 0 0 57 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.890 106.2 51.1 -65.9 -40.2 33.0 -37.4 -30.7 41 47 A S H X S+ 0 0 7 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.877 110.1 50.4 -62.6 -38.5 29.9 -38.1 -28.6 42 48 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 112.6 46.9 -63.8 -44.1 28.3 -35.1 -30.1 43 49 A A H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.973 112.6 46.8 -62.5 -57.3 29.2 -36.4 -33.6 44 50 A A H X S+ 0 0 39 -4,-3.0 4,-2.1 1,-0.2 3,-0.5 0.892 114.8 48.7 -52.3 -44.2 28.0 -39.9 -33.1 45 51 A A H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.925 113.6 45.5 -61.7 -46.0 24.8 -38.6 -31.6 46 52 A D H X S+ 0 0 10 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.528 109.6 58.1 -78.3 -5.9 24.3 -36.2 -34.5 47 53 A I H X S+ 0 0 27 -4,-1.1 4,-1.0 -3,-0.5 3,-0.3 0.879 98.7 55.0 -85.0 -46.9 25.1 -39.0 -36.9 48 54 A L H X>S+ 0 0 63 -4,-2.1 4,-3.4 1,-0.2 5,-2.4 0.652 99.2 69.8 -59.6 -13.9 22.3 -41.3 -35.7 49 55 A V H 4>S+ 0 0 12 -4,-0.4 5,-3.9 3,-0.2 -1,-0.2 0.987 105.9 33.2 -65.9 -61.3 20.2 -38.3 -36.5 50 56 A G H <5S+ 0 0 6 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.552 125.2 50.8 -70.4 -6.9 20.6 -38.5 -40.3 51 57 A V H <5S- 0 0 60 -4,-1.0 -2,-0.2 -37,-0.1 -3,-0.2 0.854 137.1 -14.6 -96.5 -45.0 20.7 -42.3 -39.8 52 58 A L T X5S+ 0 0 62 -4,-3.4 4,-3.3 -5,-0.1 5,-0.3 0.674 125.8 62.0-126.1 -49.8 17.7 -43.0 -37.6 53 59 A A H > S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -2,-0.2 0.916 113.5 46.6 -49.9 -46.3 14.1 -41.6 -41.0 56 62 A F H X S+ 0 0 38 -4,-3.3 4,-2.9 1,-0.2 5,-0.3 0.898 110.3 52.7 -63.1 -41.8 11.9 -42.1 -38.0 57 63 A A H X S+ 0 0 17 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.860 109.2 49.2 -63.6 -35.4 10.7 -38.5 -38.1 58 64 A I H X S+ 0 0 29 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.798 114.7 45.6 -73.9 -28.9 9.7 -38.9 -41.8 59 65 A T H >X S+ 0 0 68 -4,-1.5 4,-1.1 -5,-0.2 3,-0.8 0.915 112.6 47.2 -78.7 -47.2 7.8 -42.1 -41.0 60 66 A I H 3< S+ 0 0 21 -4,-2.9 95,-0.4 1,-0.2 -2,-0.2 0.704 98.3 73.1 -70.2 -19.7 6.0 -40.9 -37.9 61 67 A S H 3< S+ 0 0 67 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.878 107.3 33.4 -62.3 -39.0 4.9 -37.7 -39.7 62 68 A T H << S- 0 0 119 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.662 115.6-129.4 -89.2 -19.8 2.4 -39.7 -41.8 63 69 A G < - 0 0 22 -4,-1.1 2,-0.2 90,-0.1 91,-0.2 0.345 27.0-162.9 82.2 145.1 1.7 -42.1 -39.0 64 70 A F E -A 153 0A 45 89,-0.6 89,-2.7 87,-0.1 2,-0.5 -0.786 22.4 -94.8-145.7-171.2 1.7 -45.9 -39.0 65 71 A a E +A 152 0A 53 -2,-0.2 2,-0.3 87,-0.2 87,-0.2 -0.966 54.7 121.9-123.3 123.2 0.5 -48.9 -37.0 66 72 A A E -A 151 0A 24 85,-1.4 85,-3.2 -2,-0.5 83,-0.1 -0.979 58.8 -71.6-166.0 167.2 2.6 -50.8 -34.4 67 73 A A > - 0 0 51 -2,-0.3 4,-1.8 83,-0.3 5,-0.2 0.016 51.1-104.0 -58.8 173.5 2.7 -51.9 -30.8 68 74 A b H > S+ 0 0 32 81,-0.3 4,-2.3 2,-0.2 5,-0.2 0.910 118.6 49.9 -71.2 -43.2 3.3 -49.4 -28.0 69 75 A H H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 116.3 41.7 -60.6 -46.7 7.0 -50.4 -27.4 70 76 A G H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.832 116.4 48.8 -70.7 -33.7 7.8 -50.1 -31.1 71 77 A c H X S+ 0 0 2 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.802 112.8 48.0 -76.9 -30.7 5.8 -47.0 -31.6 72 78 A L H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.916 108.5 52.6 -74.8 -46.0 7.3 -45.3 -28.6 73 79 A F H X S+ 0 0 77 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.912 110.6 48.5 -55.1 -45.5 10.9 -46.1 -29.5 74 80 A I H < S+ 0 0 35 -4,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.835 118.9 39.7 -65.1 -32.6 10.4 -44.6 -32.9 75 81 A A H < S+ 0 0 2 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.747 121.8 40.5 -88.6 -26.2 8.9 -41.5 -31.4 76 82 A C H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 3,-0.4 0.402 88.5 89.4-105.2 -0.0 11.2 -41.1 -28.4 77 83 A F H X S+ 0 0 12 -4,-1.2 4,-1.4 -5,-0.2 3,-0.4 0.820 85.3 56.9 -66.0 -30.6 14.4 -42.0 -30.1 78 84 A V H > S+ 0 0 36 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.787 98.8 60.3 -70.3 -28.0 14.9 -38.3 -31.0 79 85 A L H > S+ 0 0 16 -3,-0.4 4,-1.3 51,-0.2 -1,-0.2 0.769 102.6 53.5 -69.9 -25.9 14.7 -37.5 -27.3 80 86 A V H X S+ 0 0 1 -4,-0.8 4,-2.4 -3,-0.4 -2,-0.2 0.923 111.1 42.8 -73.9 -47.1 17.7 -39.7 -26.7 81 87 A L H X S+ 0 0 4 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.884 116.2 49.3 -66.0 -39.5 19.9 -38.0 -29.3 82 88 A A H X S+ 0 0 15 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.828 113.7 46.7 -68.8 -32.4 18.7 -34.5 -28.2 83 89 A Q H X S+ 0 0 7 -4,-1.3 4,-1.5 2,-0.2 3,-0.2 0.864 108.6 53.3 -78.6 -38.2 19.4 -35.4 -24.5 84 90 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.888 104.3 56.7 -62.9 -39.5 22.8 -36.9 -25.1 85 91 A S H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.824 102.0 58.7 -59.9 -31.8 23.8 -33.6 -26.9 86 92 A I H X S+ 0 0 2 -4,-0.7 4,-2.2 -3,-0.2 -1,-0.2 0.943 107.9 42.8 -62.4 -50.0 22.8 -31.9 -23.7 87 93 A F H X S+ 0 0 38 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.871 115.5 50.1 -65.5 -38.5 25.4 -33.8 -21.6 88 94 A S H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 113.2 44.6 -65.6 -47.5 28.1 -33.4 -24.2 89 95 A L H X S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.853 114.6 50.3 -65.3 -35.3 27.6 -29.7 -24.6 90 96 A L H X S+ 0 0 35 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.880 110.2 49.5 -70.3 -39.3 27.4 -29.3 -20.8 91 97 A A H X S+ 0 0 14 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.915 109.7 50.9 -65.5 -44.5 30.6 -31.3 -20.4 92 98 A I H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.892 110.2 50.6 -59.9 -40.9 32.5 -29.3 -23.0 93 99 A A H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.945 112.8 45.0 -61.5 -49.8 31.4 -26.1 -21.2 94 100 A I H X S+ 0 0 78 -4,-2.3 4,-2.6 2,-0.2 3,-0.4 0.912 113.5 52.0 -59.1 -44.5 32.6 -27.4 -17.8 95 101 A D H X S+ 0 0 5 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.948 107.5 49.4 -57.3 -54.0 35.8 -28.6 -19.5 96 102 A R H X S+ 0 0 18 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.689 113.2 51.0 -62.2 -17.6 36.6 -25.2 -21.1 97 103 A Y H X S+ 0 0 90 -4,-1.0 4,-3.2 -3,-0.4 5,-0.3 0.883 105.7 52.1 -83.2 -44.8 36.0 -23.7 -17.7 98 104 A I H X S+ 0 0 38 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.867 108.4 53.6 -58.8 -38.4 38.3 -26.1 -15.8 99 105 A A H < S+ 0 0 8 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.948 117.5 33.4 -63.1 -51.8 41.1 -25.2 -18.2 100 106 A I H < S+ 0 0 7 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.874 123.3 46.6 -74.7 -38.5 40.9 -21.4 -17.8 101 107 A A H < S+ 0 0 33 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.987 134.8 8.1 -67.0 -61.0 39.9 -21.5 -14.1 102 108 A I X + 0 0 85 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 -0.714 67.9 171.4-126.2 80.8 42.4 -24.1 -12.9 103 109 A P H > S+ 0 0 74 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.828 79.3 51.5 -57.9 -36.0 44.9 -24.8 -15.7 104 110 A L H >> S+ 0 0 151 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.976 113.2 39.9 -67.6 -58.4 47.2 -26.8 -13.4 105 111 A R H 3> S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.584 97.0 88.1 -68.4 -8.7 44.6 -29.2 -11.9 106 112 A Y H 3X S+ 0 0 30 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.934 92.2 39.7 -55.0 -50.8 43.1 -29.4 -15.4 107 113 A N H << S+ 0 0 122 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.728 116.1 53.6 -72.8 -21.9 45.4 -32.2 -16.5 108 114 A G H < S+ 0 0 48 -4,-0.6 -2,-0.2 3,-0.1 -1,-0.2 0.803 123.9 24.0 -81.2 -32.0 45.0 -33.8 -13.0 109 115 A L H < S+ 0 0 55 -4,-2.6 2,-1.4 1,-0.2 5,-0.2 0.883 112.2 65.4 -96.2 -61.6 41.2 -33.8 -13.1 110 116 A V S < S+ 0 0 20 -4,-1.9 2,-0.3 -5,-0.4 -1,-0.2 -0.500 75.1 169.6 -67.3 92.0 40.3 -33.8 -16.8 111 117 A T > - 0 0 40 -2,-1.4 4,-1.5 -3,-0.1 -3,-0.1 -0.712 48.0-121.2-107.6 158.4 41.6 -37.2 -17.8 112 118 A G H > S+ 0 0 30 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.748 114.1 50.4 -66.3 -24.0 41.2 -39.2 -21.0 113 119 A T H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.1 3,-0.2 0.942 106.5 49.8 -79.4 -52.7 39.7 -42.0 -18.9 114 120 A R H > S+ 0 0 142 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.824 106.2 61.5 -55.5 -32.7 37.1 -40.0 -16.9 115 121 A A H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.963 105.4 43.7 -58.0 -54.8 36.0 -38.6 -20.3 116 122 A A H X S+ 0 0 55 -4,-1.1 4,-2.0 -3,-0.2 -1,-0.2 0.850 115.5 51.8 -59.5 -35.6 35.1 -42.0 -21.7 117 123 A G H X S+ 0 0 35 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.965 109.9 45.4 -65.9 -54.9 33.4 -42.8 -18.3 118 124 A I H X S+ 0 0 76 -4,-3.3 4,-3.2 1,-0.2 -2,-0.2 0.923 111.9 53.7 -54.9 -48.0 31.3 -39.6 -18.2 119 125 A I H X S+ 0 0 25 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.935 108.4 49.0 -52.2 -51.9 30.3 -40.1 -21.8 120 126 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.923 113.1 47.6 -54.4 -48.0 29.1 -43.6 -21.1 121 127 A I H X S+ 0 0 98 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.922 108.8 54.7 -59.2 -46.3 27.1 -42.4 -18.1 122 128 A C H X S+ 0 0 12 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.903 108.6 48.3 -55.5 -45.5 25.6 -39.5 -20.1 123 129 A W H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 110.2 51.0 -62.7 -45.2 24.3 -42.0 -22.7 124 130 A V H X S+ 0 0 98 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 113.2 45.5 -56.9 -47.0 22.8 -44.3 -20.1 125 131 A L H X S+ 0 0 78 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.783 108.9 58.7 -66.2 -27.5 21.1 -41.3 -18.6 126 132 A S H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.870 109.5 41.8 -70.0 -38.3 20.1 -40.2 -22.1 127 133 A F H X S+ 0 0 89 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.872 113.6 53.3 -74.5 -39.0 18.2 -43.5 -22.7 128 134 A A H < S+ 0 0 54 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.941 122.1 30.0 -59.0 -49.2 16.7 -43.4 -19.2 129 135 A I H >< S+ 0 0 33 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.957 119.5 51.9 -75.2 -54.6 15.4 -39.9 -19.7 130 136 A G H 3< S+ 0 0 0 -4,-2.5 -51,-0.2 -5,-0.3 -50,-0.2 0.792 117.9 39.2 -54.9 -32.9 14.8 -40.0 -23.5 131 137 A L T >< S+ 0 0 30 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.3 -0.055 78.4 116.3-110.3 30.6 12.8 -43.2 -23.2 132 138 A T G X >S+ 0 0 21 -3,-2.1 3,-2.6 1,-0.2 5,-0.9 0.879 70.2 62.4 -63.7 -40.1 10.9 -42.4 -19.9 133 139 A P G > 5S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.746 96.8 60.9 -57.1 -21.7 7.6 -42.5 -21.8 134 140 A M G < 5S+ 0 0 46 -3,-0.8 -2,-0.2 1,-0.2 4,-0.1 0.485 89.8 70.3 -82.5 -3.5 8.4 -46.1 -22.4 135 141 A L G < 5S- 0 0 139 -3,-2.6 -1,-0.2 -7,-0.1 -3,-0.1 0.488 135.6 -74.7 -88.8 -5.2 8.4 -46.6 -18.6 136 142 A G T < 5S+ 0 0 54 -3,-0.9 2,-1.9 -4,-0.2 -2,-0.1 0.175 102.4 116.5 133.1 -14.6 4.7 -46.2 -18.5 137 143 A W < + 0 0 125 -5,-0.9 2,-0.3 2,-0.1 -2,-0.1 -0.505 55.0 107.8 -84.0 71.1 4.3 -42.4 -19.0 138 144 A N S S- 0 0 39 -2,-1.9 21,-0.2 21,-0.1 20,-0.1 -0.908 70.3-128.4-143.7 168.6 2.4 -42.6 -22.3 139 145 A N > + 0 0 60 19,-1.9 3,-1.2 -2,-0.3 2,-0.8 -0.280 44.8 156.2-113.7 45.6 -0.9 -42.1 -24.0 140 146 A b T 3 S- 0 0 32 1,-0.3 18,-0.1 18,-0.2 -2,-0.1 -0.634 77.5 -2.4 -77.2 108.3 -1.2 -45.4 -25.8 141 147 A G T 3 S+ 0 0 68 -2,-0.8 -1,-0.3 1,-0.3 17,-0.1 0.617 89.8 159.9 88.7 14.7 -4.9 -46.1 -26.4 142 148 A Q < 0 0 121 -3,-1.2 -1,-0.3 15,-0.3 -3,-0.1 -0.514 360.0 360.0 -73.1 136.1 -6.2 -43.0 -24.6 143 149 A P 0 0 170 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.959 360.0 360.0 -49.8 360.0 -9.7 -41.9 -25.6 144 ! 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 0.0 145 158 A G 0 0 132 0, 0.0 6,-0.1 0, 0.0 -80,-0.0 0.000 360.0 360.0 360.0 -84.4 -8.0 -48.3 -37.8 146 159 A a - 0 0 34 4,-0.2 4,-0.2 1,-0.2 5,-0.1 0.501 360.0-124.8-116.3 -13.0 -4.9 -50.4 -36.9 147 160 A G - 0 0 52 2,-0.1 3,-0.4 3,-0.0 -1,-0.2 -0.105 46.0 -36.9 89.3 169.9 -6.7 -53.2 -35.1 148 161 A E S S+ 0 0 197 1,-0.2 2,-0.3 3,-0.0 3,-0.1 -0.428 127.4 21.9 -68.1 137.7 -6.1 -54.7 -31.6 149 162 A G S S+ 0 0 66 1,-0.2 2,-0.3 -2,-0.1 -81,-0.3 -0.342 109.0 82.4 101.0 -50.2 -2.5 -54.8 -30.5 150 163 A Q - 0 0 99 -3,-0.4 2,-0.4 -2,-0.3 -83,-0.3 -0.701 65.0-156.1 -91.1 140.2 -1.3 -52.1 -32.9 151 164 A V E -A 66 0A 39 -85,-3.2 -85,-1.4 -2,-0.3 2,-0.9 -0.927 31.0-101.7-118.6 140.4 -1.7 -48.4 -32.0 152 165 A A E -A 65 0A 47 -2,-0.4 2,-1.6 -87,-0.2 -87,-0.2 -0.433 40.7-139.3 -58.7 101.1 -1.9 -45.4 -34.4 153 166 A c E +A 64 0A 0 -89,-2.7 -89,-0.6 -2,-0.9 2,-0.5 -0.483 42.3 152.8 -72.7 88.3 1.7 -44.2 -33.9 154 167 A L >> - 0 0 52 -2,-1.6 4,-2.8 -91,-0.2 3,-0.9 -0.983 43.7-137.7-121.0 124.5 1.2 -40.4 -33.8 155 168 A F H 3> S+ 0 0 59 -2,-0.5 4,-1.9 -95,-0.4 -1,-0.1 0.878 103.1 40.8 -46.6 -55.2 3.7 -38.4 -31.9 156 169 A E H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.737 119.8 46.9 -68.9 -22.7 1.2 -36.0 -30.2 157 170 A D H <4 S+ 0 0 83 -3,-0.9 -15,-0.3 1,-0.1 -2,-0.2 0.776 118.9 36.1 -91.1 -30.4 -1.2 -38.9 -29.5 158 171 A V H < S+ 0 0 2 -4,-2.8 -19,-1.9 1,-0.1 -18,-0.2 0.665 111.0 67.0 -96.5 -20.4 1.2 -41.5 -28.1 159 172 A V S < S- 0 0 1 -4,-1.9 -21,-0.1 -5,-0.4 -1,-0.1 -0.910 83.8-125.3-109.3 123.2 3.4 -39.0 -26.2 160 173 A P > - 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