==== 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 08-DEC-10 3PWH . COMPND 2 MOLECULE: ADENOSINE RECEPTOR A2A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.S.DORE,N.ROBERTSON,J.C.ERREY,I.NG,B.TEHAN,E.HURRELL,F.MAGN . 291 2 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 83.8 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 . 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.9 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 . 10 3.4 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 2 2 1 1 0 1 0 0 2 1 0 0 0 0 1 1 0 0 0 0 2 0 1 0 0 0 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 . 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 0 115 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.9 48.3 21.0 50.5 2 8 A V T 4 + 0 0 113 1,-0.2 4,-0.4 2,-0.2 0, 0.0 0.875 360.0 27.6 -68.0 -38.7 47.3 24.6 50.7 3 9 A Y T > S+ 0 0 131 2,-0.1 4,-1.7 1,-0.1 5,-0.2 0.685 106.7 76.7 -95.3 -23.1 46.1 24.7 47.1 4 10 A I H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.914 94.0 51.7 -52.4 -47.4 45.2 21.0 46.9 5 11 A T H X S+ 0 0 86 -4,-1.1 4,-3.4 1,-0.2 -1,-0.2 0.908 103.5 58.1 -57.6 -45.4 42.0 21.6 48.9 6 12 A V H > S+ 0 0 62 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.899 105.6 49.4 -52.8 -45.6 40.9 24.4 46.6 7 13 A E H X S+ 0 0 6 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.877 114.3 45.3 -62.9 -38.5 41.0 22.0 43.6 8 14 A L H X S+ 0 0 90 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.893 110.2 54.0 -71.0 -41.4 39.0 19.4 45.5 9 15 A A H X S+ 0 0 48 -4,-3.4 4,-2.1 1,-0.2 5,-0.2 0.927 110.4 46.8 -57.9 -46.7 36.5 22.1 46.7 10 16 A I H X S+ 0 0 22 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.882 107.9 57.6 -61.9 -39.1 35.9 23.2 43.2 11 17 A A H X S+ 0 0 9 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.923 107.8 46.7 -57.7 -46.8 35.5 19.5 42.1 12 18 A V H X S+ 0 0 75 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.971 113.5 45.8 -59.8 -57.7 32.7 19.1 44.6 13 19 A L H X S+ 0 0 88 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.839 111.0 55.3 -56.5 -35.3 30.8 22.2 43.7 14 20 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.883 111.6 43.3 -65.9 -39.3 31.2 21.4 40.0 15 21 A I H X S+ 0 0 56 -4,-1.8 4,-2.7 -3,-0.4 5,-0.3 0.966 119.0 41.2 -70.2 -55.0 29.6 18.0 40.5 16 22 A L H X S+ 0 0 100 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.958 113.1 53.2 -58.0 -56.1 26.7 19.1 42.7 17 23 A G H X S+ 0 0 10 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.878 118.4 34.9 -47.7 -48.0 26.0 22.3 40.8 18 24 A N H X S+ 0 0 1 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.852 112.3 56.4 -81.9 -37.2 25.6 20.5 37.4 19 25 A V H X S+ 0 0 74 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.813 110.4 50.7 -62.2 -27.1 24.1 17.2 38.6 20 26 A L H X S+ 0 0 45 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.896 107.5 50.9 -73.4 -43.3 21.5 19.5 40.1 21 27 A V H X S+ 0 0 1 -4,-1.3 4,-0.8 -5,-0.2 -2,-0.2 0.817 113.9 46.4 -61.8 -31.2 21.1 21.3 36.7 22 28 A C H < S+ 0 0 33 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.880 112.9 46.6 -79.6 -40.6 20.7 17.8 35.1 23 29 A W H X S+ 0 0 126 -4,-2.0 4,-0.9 1,-0.2 3,-0.4 0.805 108.4 57.6 -71.0 -30.2 18.2 16.5 37.7 24 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.827 106.0 48.8 -69.2 -32.6 16.2 19.7 37.4 25 31 A V H < S+ 0 0 15 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.555 109.2 54.8 -82.7 -8.5 15.8 19.2 33.7 26 32 A W H 4 S+ 0 0 193 -3,-0.4 -2,-0.2 -4,-0.4 -1,-0.2 0.622 116.1 35.6 -96.9 -16.3 14.7 15.7 34.4 27 33 A L H < S+ 0 0 72 -4,-0.9 2,-0.9 1,-0.2 -2,-0.2 0.810 111.5 59.7 -99.5 -43.6 11.9 16.7 36.8 28 34 A N >< - 0 0 22 -4,-2.2 3,-1.7 -5,-0.2 4,-0.3 -0.786 59.8-169.7 -96.4 104.2 10.7 19.9 35.2 29 35 A S T 3 S+ 0 0 78 -2,-0.9 3,-0.3 1,-0.3 -1,-0.1 0.569 81.0 76.7 -68.9 -8.8 9.4 19.3 31.7 30 36 A N T 3 S+ 0 0 115 1,-0.2 -1,-0.3 251,-0.1 3,-0.1 0.428 99.4 44.1 -80.3 1.2 9.2 23.0 31.1 31 37 A L S < S+ 0 0 6 -3,-1.7 2,-1.6 -7,-0.1 5,-0.3 0.438 86.6 95.6-115.9 -10.3 13.0 22.9 30.7 32 38 A Q + 0 0 86 -4,-0.3 2,-0.2 -3,-0.3 -1,-0.1 -0.236 57.8 127.0 -84.0 49.5 13.1 19.8 28.5 33 39 A N S > S- 0 0 64 -2,-1.6 4,-0.7 -3,-0.1 3,-0.2 -0.481 77.9 -96.2 -98.3 173.8 13.2 21.7 25.2 34 40 A V H >> S+ 0 0 26 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.860 120.9 58.4 -57.6 -38.0 15.6 21.4 22.3 35 41 A T H >> S+ 0 0 10 1,-0.2 3,-1.3 2,-0.2 4,-1.0 0.939 103.7 49.1 -57.9 -51.6 17.7 24.3 23.7 36 42 A N H 3> S+ 0 0 20 -5,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.574 91.8 79.6 -70.7 -8.7 18.4 22.7 27.0 37 43 A Y H S+ 0 0 59 -4,-1.8 4,-2.6 -3,-0.3 5,-2.0 0.654 100.5 68.6 -61.7 -15.1 33.4 15.1 34.2 49 55 A V H <>S+ 0 0 9 -4,-0.8 5,-3.5 3,-0.2 -1,-0.2 0.989 106.3 33.7 -66.1 -61.4 35.7 18.0 35.1 50 56 A G H <5S+ 0 0 6 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.711 125.3 47.7 -66.5 -19.6 35.4 17.6 38.9 51 57 A V H <5S- 0 0 62 -4,-1.5 -1,-0.2 3,-0.1 -2,-0.2 0.821 138.2 -6.1 -90.4 -35.6 35.0 13.9 38.5 52 58 A L T X5S+ 0 0 55 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.682 127.0 55.5-126.5 -54.0 38.0 13.2 36.1 53 59 A A H >X S+ 0 0 45 -4,-2.6 4,-2.7 2,-0.2 3,-1.0 0.919 112.4 53.7 -75.5 -47.7 43.8 14.1 36.8 57 63 A A H 3< S+ 0 0 29 -4,-4.3 4,-0.4 1,-0.3 -3,-0.2 0.842 110.0 48.4 -56.5 -36.4 45.0 17.7 36.7 58 64 A I T 3X S+ 0 0 45 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.3 0.670 112.7 50.5 -79.3 -17.2 46.0 17.4 40.4 59 65 A T H X> S+ 0 0 63 -3,-1.0 4,-0.9 -4,-0.4 3,-0.8 0.929 108.7 46.2 -83.6 -53.0 47.8 14.1 39.6 60 66 A I H 3< S+ 0 0 18 -4,-2.7 95,-0.5 1,-0.2 -2,-0.2 0.592 98.0 79.8 -67.2 -9.2 49.9 15.2 36.6 61 67 A S H 34 S+ 0 0 82 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.957 104.1 29.4 -60.7 -52.2 50.8 18.2 38.7 62 68 A T H << S- 0 0 125 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.585 117.2-131.0 -83.2 -11.4 53.4 16.3 40.7 63 69 A G < - 0 0 18 -4,-0.9 2,-0.2 89,-0.0 91,-0.2 0.292 26.1-159.0 75.2 153.5 54.0 14.1 37.7 64 70 A F E -A 153 0A 49 89,-0.7 89,-2.6 87,-0.1 2,-0.5 -0.830 22.0 -92.7-150.5-172.5 54.1 10.3 37.6 65 71 A a E +A 152 0A 54 -2,-0.2 2,-0.3 87,-0.2 87,-0.2 -0.956 57.7 120.2-121.0 118.2 55.4 7.3 35.6 66 72 A A E -A 151 0A 24 85,-1.4 85,-3.2 -2,-0.5 -2,-0.1 -0.976 59.5 -70.7-163.6 168.3 53.3 5.6 32.9 67 73 A A > - 0 0 49 -2,-0.3 4,-1.8 83,-0.3 5,-0.2 0.078 49.7-103.9 -58.6 175.7 53.1 4.7 29.2 68 74 A b H > S+ 0 0 30 81,-0.3 4,-3.1 2,-0.2 5,-0.3 0.928 119.1 46.9 -71.4 -46.9 52.6 7.3 26.5 69 75 A H H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.972 115.6 44.8 -57.0 -57.5 48.9 6.5 25.9 70 76 A G H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.859 117.4 46.0 -55.9 -39.2 48.0 6.4 29.6 71 77 A c H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.943 111.2 49.2 -71.7 -50.0 49.9 9.6 30.2 72 78 A L H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 3,-0.4 0.848 110.4 53.6 -59.0 -35.7 48.6 11.6 27.2 73 79 A F H X S+ 0 0 76 -4,-2.2 4,-1.7 -5,-0.3 3,-0.3 0.958 108.7 46.4 -63.0 -52.3 45.1 10.6 28.2 74 80 A I H < S+ 0 0 38 -4,-1.7 -1,-0.2 1,-0.2 -14,-0.2 0.580 121.2 42.5 -66.2 -7.9 45.4 11.9 31.7 75 81 A A H < S+ 0 0 4 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.648 120.9 35.6-111.4 -23.3 47.0 15.0 30.2 76 82 A C H X S+ 0 0 0 -4,-2.2 4,-0.8 -3,-0.3 3,-0.3 0.383 90.7 89.7-113.9 -0.1 44.7 15.7 27.2 77 83 A F H >X S+ 0 0 12 -4,-1.7 4,-1.7 1,-0.2 3,-0.8 0.882 85.8 55.3 -64.5 -38.5 41.4 14.6 28.7 78 84 A V H 3> S+ 0 0 39 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.790 100.6 60.4 -64.7 -27.5 40.8 18.1 30.0 79 85 A L H 3> S+ 0 0 15 -3,-0.3 4,-1.5 51,-0.2 -1,-0.3 0.797 103.7 52.0 -68.8 -28.4 41.2 19.3 26.4 80 86 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 3,-0.7 0.940 105.9 54.0 -59.3 -47.3 33.1 19.8 23.8 85 91 A S H 3X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.3 5,-0.3 0.802 101.5 60.9 -57.2 -30.4 31.9 22.9 25.7 86 92 A I H 3X S+ 0 0 2 -4,-1.0 4,-1.4 2,-0.2 -1,-0.3 0.904 107.2 44.0 -62.8 -41.8 33.2 24.8 22.7 87 93 A F H S+ 0 0 70 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.832 79.6 49.7 -59.3 -36.6 10.9 32.0 14.9 104 110 A L H >> S+ 0 0 152 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.941 114.4 40.7 -70.9 -49.9 8.8 30.1 12.5 105 111 A R H 3> S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 5,-0.4 0.598 96.1 86.1 -74.7 -10.7 11.5 27.9 11.0 106 112 A Y H 3X S+ 0 0 30 -4,-1.1 4,-1.9 -8,-0.2 -1,-0.2 0.896 93.7 40.9 -55.4 -43.7 13.0 27.5 14.4 107 113 A N H << S+ 0 0 115 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.839 115.0 50.4 -75.9 -34.1 10.7 24.6 15.1 108 114 A G H < S+ 0 0 50 -4,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.630 126.4 26.0 -78.6 -14.6 11.1 23.0 11.7 109 115 A L H < S+ 0 0 50 -4,-1.5 2,-1.9 1,-0.2 -3,-0.2 0.774 112.8 60.0-111.0 -60.1 14.9 23.3 11.9 110 116 A V S < S+ 0 0 18 -4,-1.9 2,-0.2 -5,-0.4 -1,-0.2 -0.536 76.7 165.2 -75.1 82.8 15.9 23.2 15.6 111 117 A T > - 0 0 42 -2,-1.9 4,-1.7 -3,-0.1 5,-0.1 -0.645 51.0-117.1-102.0 159.3 14.4 19.8 16.4 112 118 A G H > S+ 0 0 30 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.712 115.1 52.0 -65.6 -21.0 15.0 17.6 19.4 113 119 A T H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.932 107.6 47.4 -80.5 -51.5 16.5 14.9 17.1 114 120 A R H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.817 108.3 60.2 -58.3 -30.9 19.0 17.1 15.3 115 121 A A H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.943 107.0 43.6 -61.4 -49.0 20.0 18.3 18.8 116 122 A A H X S+ 0 0 58 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.915 113.8 51.9 -62.4 -44.6 20.9 14.8 19.9 117 123 A G H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.938 111.4 45.5 -57.9 -51.3 22.7 14.2 16.6 118 124 A I H X S+ 0 0 81 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.940 110.7 53.7 -57.8 -50.1 24.8 17.3 16.8 119 125 A I H X S+ 0 0 29 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.896 108.6 50.4 -52.2 -44.7 25.7 16.7 20.4 120 126 A A H X S+ 0 0 55 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.953 112.5 45.2 -59.1 -52.4 26.9 13.2 19.5 121 127 A I H X S+ 0 0 99 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.877 108.3 59.4 -58.9 -39.2 29.1 14.6 16.7 122 128 A C H X S+ 0 0 11 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.910 109.5 42.0 -57.1 -45.0 30.3 17.3 19.0 123 129 A W H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.897 113.2 52.8 -70.1 -41.8 31.7 14.8 21.4 124 130 A V H X S+ 0 0 99 -4,-2.4 4,-1.7 1,-0.2 3,-0.3 0.942 115.4 40.5 -57.2 -49.5 33.1 12.6 18.7 125 131 A L H X S+ 0 0 81 -4,-3.1 4,-1.8 1,-0.2 5,-0.3 0.739 108.9 64.4 -70.1 -22.9 35.0 15.5 17.2 126 132 A S H X S+ 0 0 0 -4,-1.1 4,-2.3 -5,-0.3 -2,-0.2 0.859 106.8 40.5 -68.7 -36.8 35.8 16.6 20.8 127 133 A F H X S+ 0 0 83 -4,-1.9 4,-1.7 -3,-0.3 -2,-0.2 0.842 111.2 57.6 -77.8 -36.2 37.9 13.5 21.3 128 134 A A H < S+ 0 0 51 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.875 120.7 28.7 -60.9 -38.5 39.4 13.7 17.8 129 135 A I H >< S+ 0 0 33 -4,-1.8 3,-1.9 2,-0.1 -2,-0.2 0.911 119.5 51.9 -88.0 -51.4 40.7 17.2 18.6 130 136 A G H 3< S+ 0 0 0 -4,-2.3 -51,-0.2 1,-0.3 -50,-0.2 0.762 117.8 40.4 -59.0 -27.2 41.2 17.0 22.4 131 137 A L T >X S+ 0 0 27 -4,-1.7 3,-1.3 1,-0.2 4,-0.6 0.026 77.2 117.6-112.1 25.3 43.2 13.9 22.0 132 138 A T G X4> + 0 0 14 -3,-1.9 3,-1.6 1,-0.3 5,-1.0 0.875 69.6 62.9 -58.8 -40.2 45.2 14.9 18.9 133 139 A P G >45S+ 0 0 0 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.754 100.1 56.1 -56.8 -22.4 48.5 14.7 20.8 134 140 A M G <45S+ 0 0 45 -3,-1.3 -2,-0.2 1,-0.2 4,-0.1 0.698 91.1 71.1 -80.9 -20.8 47.7 11.0 21.2 135 141 A L G <<5S- 0 0 135 -3,-1.6 -1,-0.2 -4,-0.6 -3,-0.1 0.640 134.6 -78.4 -69.3 -13.8 47.4 10.6 17.5 136 142 A G T < 5S+ 0 0 51 -3,-0.6 2,-2.4 -4,-0.4 -2,-0.1 0.101 104.5 114.3 137.0 -20.2 51.1 11.0 17.3 137 143 A W < + 0 0 98 -5,-1.0 2,-0.2 2,-0.1 -2,-0.1 -0.411 59.1 106.2 -78.1 64.9 51.5 14.7 17.6 138 144 A N S S- 0 0 37 -2,-2.4 21,-0.2 21,-0.1 20,-0.1 -0.791 73.6-122.4-136.6 177.3 53.3 14.4 21.0 139 145 A N > + 0 0 56 19,-2.3 2,-1.2 -2,-0.2 3,-1.0 -0.352 44.8 153.7-120.7 50.9 56.6 14.7 22.8 140 146 A b T 3 S+ 0 0 34 1,-0.3 18,-0.1 18,-0.1 -2,-0.1 -0.684 80.6 1.2 -83.3 95.9 57.0 11.2 24.3 141 147 A G T 3 S+ 0 0 58 -2,-1.2 -1,-0.3 16,-0.2 17,-0.1 0.781 89.6 139.0 96.9 34.7 60.8 10.8 24.6 142 148 A Q < 0 0 139 -3,-1.0 -1,-0.2 15,-0.3 -3,-0.0 -0.827 360.0 360.0-114.5 92.4 61.9 14.2 23.2 143 149 A P 0 0 169 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.544 360.0 360.0 -61.3 360.0 64.9 15.4 25.3 144 ! 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 0 130 0, 0.0 6,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -74.5 63.9 7.5 36.0 146 159 A a - 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0 0 0 0, 0.0 4,-0.9 0, 0.0 -2,-0.1 -0.095 8.2-153.2 -56.1 153.4 53.6 19.9 22.3 161 174 A M H > S+ 0 0 51 2,-0.2 4,-1.4 3,-0.1 5,-0.3 0.783 93.8 60.5 -96.8 -38.6 53.4 23.7 22.3 162 175 A N H >>S+ 0 0 73 1,-0.2 4,-0.8 2,-0.2 5,-0.6 0.722 110.3 47.7 -60.3 -20.5 53.1 24.2 18.6 163 176 A Y H >>S+ 0 0 0 3,-0.2 5,-2.2 2,-0.2 4,-1.4 0.948 109.2 46.5 -82.0 -60.5 49.9 22.1 18.9 164 177 A M H <>S+ 0 0 10 -4,-0.9 5,-1.9 3,-0.2 -2,-0.2 0.627 124.2 37.4 -62.0 -12.7 48.2 23.8 21.9 165 178 A V H <>S+ 0 0 0 -4,-1.4 5,-2.5 3,-0.2 6,-0.3 0.851 126.1 27.4-100.7 -69.0 48.8 27.1 20.3 166 179 A Y H <5S+ 0 0 135 -4,-0.8 5,-0.4 -5,-0.3 -3,-0.2 0.925 138.2 23.1 -61.3 -47.7 48.5 26.9 16.5 167 180 A F T XXS+ 0 0 64 -4,-1.4 5,-1.7 -5,-0.6 4,-1.1 0.968 129.4 32.5 -85.3 -71.8 46.0 24.0 16.6 168 181 A N H >XS+ 0 0 14 -5,-1.9 5,-3.6 3,-0.2 4,-1.6 0.980 125.5 40.9 -57.2 -72.3 43.9 27.5 21.0 170 183 A F H 4XS+ 0 0 72 -5,-2.5 5,-1.2 3,-0.2 -1,-0.2 0.834 132.6 20.3 -48.6 -44.3 44.0 29.6 17.8 171 184 A A H <5S+ 0 0 46 -4,-1.1 -3,-0.2 -5,-0.4 -1,-0.2 0.894 129.5 38.6 -96.7 -48.3 41.8 27.3 15.8 172 185 A C H < S+ 0 0 12 0, 0.0 4,-3.6 0, 0.0 3,-0.5 0.944 109.8 51.3 -55.5 -50.1 35.0 29.5 17.7 177 190 A L H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.836 109.2 51.7 -55.7 -34.9 34.8 32.3 20.3 178 191 A L H X S+ 0 0 101 -4,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.820 112.8 45.4 -71.2 -31.4 35.2 34.7 17.3 179 192 A L H X S+ 0 0 95 -4,-1.8 4,-2.2 -3,-0.5 -2,-0.2 0.934 112.9 48.9 -73.2 -50.0 32.2 33.0 15.7 180 193 A M H X S+ 0 0 4 -4,-3.6 4,-2.3 1,-0.2 5,-0.2 0.919 113.1 48.1 -54.6 -47.2 30.2 32.9 18.9 181 194 A L H X S+ 0 0 105 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.932 110.1 52.8 -57.6 -46.5 30.9 36.6 19.3 182 195 A G H X S+ 0 0 20 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.824 108.7 51.0 -59.7 -34.1 29.9 37.2 15.7 183 196 A V H >X S+ 0 0 29 -4,-2.2 4,-2.6 2,-0.2 3,-1.0 0.980 107.7 48.6 -67.5 -58.9 26.6 35.4 16.3 184 197 A Y H 3X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.716 105.1 65.3 -54.6 -20.6 25.6 37.3 19.4 185 198 A L H 3X S+ 0 0 93 -4,-1.2 4,-0.6 -5,-0.2 -1,-0.3 0.937 108.6 35.3 -66.2 -48.1 26.5 40.4 17.3 186 199 A R H X S+ 0 0 149 -4,-0.9 3,-0.7 2,-0.2 4,-0.5 0.840 109.4 46.1 -78.5 -35.5 11.9 49.0 16.2 197 210 A Q H 3< S+ 0 0 139 -4,-1.9 3,-0.5 -3,-0.2 -2,-0.2 0.809 111.4 52.3 -74.9 -31.3 9.4 47.5 13.7 198 211 A M T 3< S+ 0 0 23 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.300 99.0 68.5 -86.2 8.9 7.0 46.8 16.5 199 212 A E T <4 S+ 0 0 138 -3,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.702 98.8 46.7 -96.6 -26.4 7.3 50.4 17.6 200 213 A S S < S+ 0 0 111 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.1 -0.221 86.4 127.6-107.2 41.1 5.5 51.8 14.5 201 214 A Q - 0 0 51 -3,-0.3 2,-0.1 2,-0.2 -3,-0.1 -0.854 61.8-138.0-104.8 132.8 2.6 49.3 14.6 202 215 A P S S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.102 87.5 56.9 -71.6 23.8 -1.1 50.4 14.5 203 216 A L S S- 0 0 101 1,-0.2 -2,-0.2 -2,-0.1 0, 0.0 -0.992 80.5-124.1-155.7 151.0 -1.7 47.8 17.2 204 217 A P + 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.990 35.9 167.3 -57.1 -71.0 -0.6 46.8 20.8 205 218 A G >> + 0 0 30 1,-0.1 4,-1.2 3,-0.1 3,-0.7 0.925 0.9 167.8 52.1 53.5 0.5 43.2 20.2 206 219 A E H 3> + 0 0 92 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.653 66.0 75.3 -70.7 -15.1 2.3 42.8 23.5 207 220 A R H 3> S+ 0 0 196 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 98.4 43.8 -60.5 -44.0 2.4 39.1 22.8 208 221 A A H <> S+ 0 0 48 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.935 117.2 45.6 -66.8 -47.7 5.2 39.7 20.3 209 222 A R H X S+ 0 0 70 -4,-1.2 4,-3.3 2,-0.2 5,-0.2 0.966 115.4 44.7 -60.1 -56.4 7.1 42.1 22.5 210 223 A S H X S+ 0 0 58 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.915 117.4 45.3 -56.7 -47.4 6.9 40.1 25.7 211 224 A T H >X S+ 0 0 74 -4,-2.0 4,-2.1 -5,-0.3 3,-0.5 0.935 115.4 47.2 -61.7 -48.0 7.8 36.9 24.0 212 225 A L H 3X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.946 107.8 54.5 -59.0 -51.7 10.6 38.5 22.1 213 226 A Q H 3X S+ 0 0 108 -4,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.733 111.8 47.0 -56.9 -22.9 12.0 40.3 25.2 214 227 A K H < S+ 0 0 4 -4,-1.2 3,-1.3 2,-0.2 5,-0.2 0.987 109.6 39.7 -58.8 -61.7 34.1 30.6 29.4 230 243 A A H >X S+ 0 0 19 -4,-1.7 4,-2.8 1,-0.3 3,-1.5 0.882 114.4 55.6 -54.1 -40.6 36.5 32.8 27.4 231 244 A L H 3< S+ 0 0 113 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.717 110.9 45.4 -66.6 -20.6 37.1 34.9 30.6 232 245 A C T << S+ 0 0 14 -3,-1.3 -1,-0.3 -4,-1.1 35,-0.2 0.168 123.2 31.8-109.6 15.7 38.1 31.7 32.4 233 246 A W T <> S+ 0 0 29 -3,-1.5 4,-1.9 -4,-0.1 3,-0.3 0.529 96.6 76.5-139.0 -34.6 40.4 30.3 29.7 234 247 A L H X S+ 0 0 59 -4,-2.8 4,-3.6 -5,-0.2 5,-0.3 0.888 92.0 58.8 -50.7 -45.9 42.0 33.1 27.8 235 248 A P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.927 108.8 43.8 -50.7 -50.4 44.5 33.8 30.7 236 249 A L H > S+ 0 0 27 -3,-0.3 4,-1.5 24,-0.3 -2,-0.2 0.850 116.7 47.2 -65.2 -35.8 45.9 30.3 30.5 237 250 A H H X S+ 0 0 12 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.897 108.7 53.1 -72.7 -42.4 46.0 30.4 26.7 238 251 A I H X S+ 0 0 85 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.886 106.5 55.0 -58.7 -39.7 47.6 33.8 26.6 239 252 A I H X S+ 0 0 22 -4,-1.9 4,-2.7 -5,-0.3 3,-0.3 0.921 104.7 52.4 -58.5 -45.7 50.3 32.4 28.9 240 253 A N H X S+ 0 0 18 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.812 108.5 51.6 -59.8 -30.6 50.9 29.6 26.4 241 254 A C H X S+ 0 0 22 -4,-1.5 4,-1.4 2,-0.2 5,-0.4 0.774 109.4 50.7 -76.8 -27.7 51.4 32.3 23.8 242 255 A F H X S+ 0 0 124 -4,-1.6 4,-1.3 -3,-0.3 7,-0.3 0.944 113.6 42.5 -71.0 -51.8 53.9 34.1 26.1 243 256 A T H < S+ 0 0 38 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.861 123.9 39.7 -62.6 -36.8 56.0 31.0 26.7 244 257 A F H < S+ 0 0 57 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.989 122.2 32.6 -78.2 -69.6 55.8 30.0 23.0 245 258 A F H < S+ 0 0 98 -4,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.713 124.6 47.4 -66.5 -21.7 56.0 33.2 20.9 246 259 A d >< + 0 0 29 -4,-1.3 3,-0.6 -5,-0.4 -1,-0.3 -0.726 61.1 169.0-124.3 83.0 58.4 34.8 23.4 247 260 A P T 3 S+ 0 0 94 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.829 83.3 47.3 -61.3 -36.1 61.1 32.4 24.4 248 261 A D T 3 S+ 0 0 142 2,-0.1 2,-0.2 3,-0.0 3,-0.1 0.633 90.4 103.0 -83.2 -15.1 63.1 35.1 26.2 249 262 A d S < S- 0 0 52 -3,-0.6 3,-0.1 -7,-0.3 -3,-0.1 -0.474 97.1 -82.2 -67.9 137.8 60.0 36.4 28.0 250 263 A S - 0 0 118 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.152 49.2-119.9 -45.2 109.0 59.9 35.3 31.6 251 264 A H - 0 0 120 -4,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.364 44.2 -92.4 -53.6 122.2 58.4 31.8 31.5 252 265 A A - 0 0 22 -13,-0.2 -1,-0.1 -2,-0.1 5,-0.0 -0.072 46.7-109.1 -44.5 128.6 55.2 32.1 33.6 253 266 A P > - 0 0 56 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.145 19.9-120.3 -56.3 154.5 55.8 31.2 37.3 254 267 A L H > S+ 0 0 152 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.857 113.1 51.8 -67.8 -36.3 54.4 27.9 38.6 255 268 A W H > S+ 0 0 168 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 114.9 40.9 -66.3 -45.6 52.3 29.7 41.2 256 269 A L H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.804 114.1 55.2 -70.5 -29.8 50.8 32.0 38.6 257 270 A M H X S+ 0 0 38 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.887 107.7 49.1 -67.9 -40.3 50.6 29.1 36.3 258 271 A Y H X S+ 0 0 55 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.958 110.2 50.0 -62.4 -52.8 48.6 27.2 38.9 259 272 A L H X S+ 0 0 98 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 112.5 48.0 -50.5 -49.0 46.2 30.1 39.5 260 273 A A H X S+ 0 0 4 -4,-2.1 4,-0.9 1,-0.2 -24,-0.3 0.901 113.3 46.6 -61.8 -43.5 45.6 30.4 35.7 261 274 A I H X S+ 0 0 62 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.875 110.4 54.5 -66.4 -37.8 45.0 26.6 35.4 262 275 A V H >X S+ 0 0 20 -4,-3.1 3,-0.8 1,-0.2 4,-0.7 0.906 98.6 62.1 -61.1 -43.7 42.7 26.7 38.4 263 276 A L H >X S+ 0 0 57 -4,-2.2 3,-0.8 1,-0.3 4,-0.7 0.841 100.4 54.7 -52.4 -36.7 40.6 29.5 36.8 264 277 A A H >< S+ 0 0 4 -4,-0.9 3,-0.6 -3,-0.4 -1,-0.3 0.852 103.6 54.1 -66.7 -35.4 39.7 27.1 34.0 265 278 A H H << S+ 0 0 8 -4,-1.0 3,-0.4 -3,-0.8 -1,-0.2 0.599 101.6 62.4 -73.3 -10.8 38.5 24.5 36.5 266 279 A T H XX S+ 0 0 43 -3,-0.8 3,-1.3 -4,-0.7 4,-0.9 0.744 83.6 74.0 -85.7 -26.0 36.2 27.2 37.9 267 280 A N T << S+ 0 0 3 -4,-0.7 4,-0.4 -3,-0.6 -1,-0.2 0.634 86.5 67.6 -62.1 -12.9 34.3 27.6 34.6 268 281 A S T 34 S+ 0 0 2 -3,-0.4 -1,-0.3 -4,-0.2 -250,-0.2 0.040 103.1 43.7 -95.3 25.5 32.6 24.3 35.5 269 282 A V T <> S+ 0 0 17 -3,-1.3 4,-0.9 -252,-0.1 -2,-0.2 0.533 95.0 68.7-138.4 -28.9 30.8 25.8 38.5 270 283 A V H X S+ 0 0 39 -4,-0.9 4,-1.9 1,-0.2 5,-0.2 0.781 87.1 70.3 -72.4 -28.1 29.4 29.2 37.4 271 284 A N H > S+ 0 0 4 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.918 97.3 48.1 -58.5 -49.1 26.8 27.8 35.1 272 285 A P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.940 116.3 44.4 -56.3 -47.0 24.5 26.3 37.8 273 286 A F H < S+ 0 0 131 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.744 110.9 55.0 -69.9 -24.6 24.6 29.5 39.7 274 287 A I H X S+ 0 0 17 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.763 109.6 46.9 -80.7 -26.1 24.1 31.6 36.5 275 288 A Y H X S+ 0 0 13 -4,-1.8 4,-2.3 -3,-0.3 8,-0.5 0.928 109.3 51.9 -75.8 -49.5 20.9 29.6 35.7 276 289 A A H < S+ 0 0 37 -4,-2.3 -1,-0.2 6,-0.2 -2,-0.2 0.472 122.6 35.7 -65.6 0.3 19.5 29.9 39.3 277 290 A Y H 4 S+ 0 0 168 -5,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.719 124.0 34.2-117.5 -51.4 20.1 33.6 38.8 278 291 A R H < S+ 0 0 46 -4,-2.9 2,-0.6 1,-0.1 -3,-0.2 0.705 114.2 62.5 -82.0 -21.7 19.4 34.5 35.2 279 292 A I X - 0 0 36 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 -0.919 56.6-172.0-113.6 113.6 16.6 32.0 34.8 280 293 A R H > S+ 0 0 134 -2,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.831 91.2 55.1 -68.2 -33.2 13.5 32.4 37.0 281 294 A E H > S+ 0 0 52 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.877 110.0 46.6 -66.5 -38.1 12.2 29.0 35.7 282 295 A F H >> S+ 0 0 6 -7,-0.3 4,-2.3 2,-0.2 3,-0.6 0.944 107.8 52.8 -70.3 -51.3 15.4 27.3 36.7 283 296 A R H 3X S+ 0 0 93 -4,-2.1 4,-2.5 -8,-0.5 -1,-0.2 0.881 107.4 52.4 -54.9 -42.9 15.8 28.7 40.2 284 297 A Q H 3X S+ 0 0 111 -4,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.832 109.0 51.4 -64.1 -32.9 12.3 27.7 41.2 285 298 A T H