==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN/DNA 21-APR-99 5CRX . COMPND 2 MOLECULE: DNA (35-MER); . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.GUO,D.N.GOPAUL,G.D.VAN DUYNE . 593 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 66.6 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 . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 21 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 46.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 1 0 3 0 1 0 0 3 2 3 2 1 7 0 0 0 2 0 0 0 0 0 0 0 0 0 0 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 . 2 0 1 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 ANTIPARALLEL 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 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 19 A T 0 0 129 0, 0.0 83,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.7 33.8 51.4 106.3 2 20 A S > + 0 0 86 0, 0.0 4,-0.8 0, 0.0 83,-0.0 -0.061 360.0 13.7-173.8 -82.0 32.8 48.0 107.8 3 21 A D H > S+ 0 0 106 2,-0.2 4,-3.4 3,-0.1 5,-0.2 0.680 118.5 63.8 -91.7 -26.2 33.3 44.5 106.6 4 22 A E H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.875 108.2 42.0 -65.3 -38.1 35.8 45.5 104.0 5 23 A V H > S+ 0 0 17 2,-0.2 4,-3.5 3,-0.2 5,-0.3 0.895 111.4 56.8 -75.7 -39.8 38.1 46.6 106.8 6 24 A R H X S+ 0 0 150 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.980 111.2 42.7 -51.2 -60.5 37.2 43.5 108.8 7 25 A K H X S+ 0 0 84 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.889 112.5 54.1 -55.5 -42.6 38.4 41.4 105.9 8 26 A N H X S+ 0 0 25 -4,-2.1 4,-1.8 1,-0.2 3,-0.5 0.936 108.3 48.1 -59.6 -46.3 41.4 43.6 105.4 9 27 A L H X S+ 0 0 59 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.887 108.4 56.4 -59.4 -37.5 42.4 43.2 109.0 10 28 A M H X S+ 0 0 120 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.816 105.4 50.6 -62.8 -33.0 41.9 39.4 108.6 11 29 A D H X S+ 0 0 7 -4,-1.6 4,-2.5 -3,-0.5 -1,-0.2 0.904 107.1 55.8 -69.3 -43.9 44.4 39.4 105.7 12 30 A M H < S+ 0 0 9 -4,-1.8 6,-0.2 1,-0.2 -2,-0.2 0.897 111.0 41.7 -55.2 -47.3 46.9 41.2 107.8 13 31 A F H >< S+ 0 0 152 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.821 111.7 59.4 -71.9 -30.8 46.8 38.6 110.6 14 32 A R H 3< S+ 0 0 77 -4,-1.4 2,-0.3 1,-0.3 3,-0.3 0.957 118.2 26.7 -60.3 -57.0 46.8 35.8 107.9 15 33 A D T >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.3 -0.451 77.6 141.7-105.0 54.4 50.1 36.8 106.4 16 34 A R G X + 0 0 99 -3,-1.0 3,-1.7 -2,-0.3 -1,-0.2 0.774 61.0 74.7 -66.3 -24.1 51.5 38.3 109.5 17 35 A Q G 3 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 387,-0.1 0.233 73.7 82.1 -74.4 16.6 54.8 36.8 108.5 18 36 A A G < S+ 0 0 0 -3,-1.1 2,-0.3 -6,-0.2 -1,-0.3 0.619 92.6 48.6 -93.7 -15.2 55.1 39.5 105.9 19 37 A F S < S- 0 0 23 -3,-1.7 2,-0.1 -4,-0.1 378,-0.0 -0.856 94.2-102.6-120.3 156.0 56.4 42.0 108.4 20 38 A S > - 0 0 45 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.385 26.7-118.2 -74.7 159.2 59.2 41.5 111.0 21 39 A E H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.857 117.9 57.2 -62.3 -36.6 58.3 41.0 114.7 22 40 A H H > S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.862 107.4 47.5 -64.1 -36.5 60.1 44.2 115.4 23 41 A T H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.946 111.7 48.6 -69.4 -47.8 57.8 46.0 113.0 24 42 A W H X S+ 0 0 51 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.896 109.4 54.3 -58.2 -40.7 54.7 44.4 114.5 25 43 A K H X S+ 0 0 96 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.868 109.8 46.5 -61.6 -40.5 56.0 45.3 118.0 26 44 A M H X S+ 0 0 74 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.949 111.3 52.3 -69.6 -45.2 56.3 48.9 117.0 27 45 A L H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.969 113.2 43.2 -53.3 -56.1 52.9 48.9 115.4 28 46 A L H X S+ 0 0 88 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.907 113.2 53.7 -57.1 -40.0 51.2 47.5 118.5 29 47 A S H X S+ 0 0 43 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.930 109.8 45.7 -60.9 -47.3 53.2 49.9 120.6 30 48 A V H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 -1,-0.2 0.861 112.6 50.7 -63.5 -38.8 52.1 53.0 118.7 31 49 A C H X S+ 0 0 19 -4,-2.3 4,-3.6 -5,-0.3 -1,-0.2 0.895 108.6 54.0 -64.5 -41.3 48.5 51.8 118.7 32 50 A R H X S+ 0 0 164 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.893 115.1 38.4 -60.9 -42.4 48.9 51.3 122.4 33 51 A S H X S+ 0 0 33 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.917 118.4 48.7 -74.5 -44.5 50.1 54.9 122.9 34 52 A W H X S+ 0 0 0 -4,-3.4 4,-1.7 2,-0.2 -2,-0.2 0.901 112.9 49.5 -61.5 -41.1 47.7 56.3 120.3 35 53 A A H X S+ 0 0 33 -4,-3.6 4,-2.2 2,-0.2 3,-0.3 0.975 110.9 46.6 -63.1 -59.3 44.8 54.4 121.9 36 54 A A H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.953 111.9 51.4 -46.6 -58.7 45.4 55.5 125.5 37 55 A W H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.867 109.4 52.2 -49.2 -39.8 45.9 59.1 124.4 38 56 A C H <>S+ 0 0 1 -4,-1.7 5,-1.9 -3,-0.3 -1,-0.2 0.908 108.0 48.9 -65.0 -44.9 42.6 58.9 122.6 39 57 A K H ><5S+ 0 0 172 -4,-2.2 3,-2.4 -3,-0.4 -2,-0.2 0.977 113.3 48.0 -56.9 -56.0 40.6 57.6 125.5 40 58 A L H 3<5S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.933 117.6 41.8 -47.0 -53.4 42.0 60.2 127.7 41 59 A N T 3<5S- 0 0 49 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.146 112.2-120.5 -86.4 19.1 41.2 62.8 125.0 42 60 A N T < 5 + 0 0 150 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.874 64.2 134.6 40.8 61.6 37.8 61.3 124.3 43 61 A R < - 0 0 80 -5,-1.9 2,-0.4 -6,-0.0 -1,-0.2 -0.967 63.6-103.0-136.7 149.9 38.3 60.5 120.6 44 62 A K - 0 0 127 -2,-0.3 5,-0.4 1,-0.2 8,-0.1 -0.598 26.8-160.4 -71.5 123.2 37.6 57.5 118.3 45 63 A W + 0 0 103 -2,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.587 65.8 75.5 -84.2 -5.8 40.9 55.8 117.8 46 64 A F S S+ 0 0 49 1,-0.5 -1,-0.2 2,-0.0 2,-0.1 -0.855 99.6 19.7-162.6 120.8 39.7 54.0 114.8 47 65 A P S S- 0 0 43 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.510 99.6-138.6 -72.3 145.5 39.3 55.1 112.1 48 66 A A - 0 0 11 -3,-0.3 -3,-0.1 -2,-0.1 -2,-0.0 -0.579 11.4-141.1 -77.4 131.1 41.6 57.9 113.2 49 67 A E >> - 0 0 96 -5,-0.4 4,-2.6 -2,-0.3 3,-0.8 -0.801 15.6-121.0-100.1 134.0 40.6 61.4 112.1 50 68 A P H 3> S+ 0 0 53 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.791 111.4 44.9 -29.3 -66.9 43.2 64.1 110.9 51 69 A E H 3> S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 115.2 50.5 -53.2 -42.7 42.4 66.8 113.5 52 70 A D H <> S+ 0 0 20 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.972 115.0 42.0 -60.8 -55.4 42.5 64.1 116.2 53 71 A V H >X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 3,-0.9 0.979 110.5 55.7 -51.9 -67.1 45.8 62.7 115.0 54 72 A R H 3X S+ 0 0 69 -4,-3.3 4,-2.5 1,-0.3 3,-0.4 0.868 108.5 49.6 -30.5 -60.2 47.3 66.2 114.5 55 73 A D H 3X S+ 0 0 46 -4,-2.5 4,-1.2 1,-0.3 -1,-0.3 0.899 108.8 53.4 -48.0 -48.9 46.4 66.9 118.1 56 74 A Y H S+ 0 0 0 -4,-1.5 5,-2.1 -3,-0.3 4,-0.7 0.846 107.5 58.2 -67.0 -38.4 54.3 64.0 121.3 61 79 A Q H ><5S+ 0 0 31 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.978 113.0 39.6 -55.1 -53.1 56.2 67.0 120.2 62 80 A A H 3<5S+ 0 0 83 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.903 102.6 69.6 -62.1 -40.3 55.6 68.5 123.6 63 81 A R H 3<5S- 0 0 153 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.754 118.2-118.6 -49.1 -18.9 56.2 65.1 125.0 64 82 A G T <<5 + 0 0 60 -3,-1.7 -3,-0.2 -4,-0.7 -1,-0.2 0.488 58.3 160.2 91.2 3.6 59.7 66.0 123.9 65 83 A L < - 0 0 27 -5,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.255 44.6-105.7 -59.1 143.8 59.8 63.0 121.4 66 84 A A > - 0 0 38 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.168 25.3-114.9 -64.6 165.1 62.4 63.3 118.6 67 85 A V H > S+ 0 0 15 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.965 119.3 55.6 -64.4 -51.1 61.1 64.1 115.2 68 86 A K H > S+ 0 0 147 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.827 108.2 49.5 -49.0 -35.1 62.3 60.7 114.1 69 87 A T H > S+ 0 0 58 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.917 110.5 48.4 -73.7 -41.6 60.1 59.3 116.8 70 88 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.885 107.0 56.0 -65.5 -38.7 57.1 61.3 115.8 71 89 A Q H X S+ 0 0 60 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.836 106.1 52.9 -62.7 -31.0 57.5 60.3 112.1 72 90 A Q H X S+ 0 0 67 -4,-1.0 4,-2.4 -5,-0.3 -1,-0.2 0.868 104.4 55.4 -71.8 -37.9 57.4 56.7 113.2 73 91 A H H X S+ 0 0 21 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.928 113.2 40.0 -63.5 -41.6 54.2 57.3 115.1 74 92 A L H X S+ 0 0 5 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.911 112.1 59.3 -71.6 -37.9 52.4 58.6 112.0 75 93 A G H X S+ 0 0 35 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.880 106.1 46.0 -56.1 -42.1 54.1 56.0 109.9 76 94 A Q H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.902 112.3 51.6 -69.2 -39.9 52.5 53.2 111.9 77 95 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.956 108.8 49.7 -60.0 -51.8 49.2 54.9 111.8 78 96 A N H X S+ 0 0 12 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.801 112.3 51.5 -56.8 -30.6 49.4 55.3 108.0 79 97 A M H X S+ 0 0 32 -4,-1.3 4,-2.8 -5,-0.3 -2,-0.2 0.973 107.7 47.3 -70.8 -59.5 50.3 51.5 107.9 80 98 A L H < S+ 0 0 21 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 120.2 42.9 -46.6 -43.4 47.4 50.2 110.0 81 99 A H H >< S+ 0 0 3 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.816 109.1 52.5 -75.5 -37.7 45.1 52.4 107.8 82 100 A R H 3< S+ 0 0 154 -4,-2.1 2,-1.4 1,-0.3 -2,-0.2 0.907 103.7 62.9 -64.4 -39.7 46.6 51.7 104.4 83 101 A R T 3< S+ 0 0 45 -4,-2.8 -1,-0.3 -5,-0.2 2,-0.3 -0.173 107.5 48.1 -79.6 43.7 46.1 48.1 105.4 84 102 A S S < S- 0 0 4 -2,-1.4 -79,-0.1 -3,-0.8 -78,-0.0 -0.887 103.9 -94.9-173.0 149.2 42.3 48.7 105.6 85 103 A G S S+ 0 0 43 -2,-0.3 -4,-0.1 -81,-0.1 -3,-0.1 0.724 97.9 100.3 -46.3 -22.3 39.9 50.4 103.2 86 104 A L S S- 0 0 9 1,-0.1 -2,-0.4 -5,-0.1 0, 0.0 -0.347 75.4-122.0 -68.2 147.9 40.4 53.5 105.2 87 105 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.418 32.8 -91.1 -67.0-150.5 42.7 56.2 103.9 88 106 A R > - 0 0 66 1,-0.1 3,-1.9 -6,-0.1 -10,-0.1 -0.999 11.7-140.6-134.9 133.6 45.8 57.6 105.8 89 107 A P G > S+ 0 0 5 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.848 104.3 65.7 -59.2 -33.1 45.9 60.5 108.1 90 108 A S G 3 S+ 0 0 33 1,-0.3 -15,-0.0 -16,-0.2 -16,-0.0 0.616 91.4 66.4 -64.6 -11.5 49.3 61.5 106.5 91 109 A D G < S+ 0 0 88 -3,-1.9 2,-0.3 4,-0.0 -1,-0.3 0.031 85.9 95.2 -97.7 24.3 47.3 62.1 103.4 92 110 A S S <> S- 0 0 22 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 -0.878 78.9-126.2-117.1 149.5 45.5 65.1 105.0 93 111 A N H > S+ 0 0 124 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.984 109.3 44.9 -52.0 -65.3 46.3 68.7 104.8 94 112 A A H > S+ 0 0 20 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.905 115.5 43.7 -42.5 -67.6 46.4 69.2 108.7 95 113 A V H > S+ 0 0 0 -6,-0.3 4,-1.4 1,-0.3 -1,-0.3 0.856 117.2 50.0 -50.8 -36.9 48.4 66.1 109.5 96 114 A S H X S+ 0 0 53 -4,-2.2 4,-1.7 -7,-0.2 -1,-0.3 0.897 111.2 47.3 -71.8 -39.2 50.6 67.0 106.7 97 115 A L H X S+ 0 0 88 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.875 109.4 52.2 -71.7 -36.4 51.0 70.6 107.8 98 116 A V H X S+ 0 0 3 -4,-2.8 4,-3.9 2,-0.2 5,-0.3 0.884 107.9 52.2 -66.0 -38.7 51.8 69.8 111.5 99 117 A M H X S+ 0 0 19 -4,-1.4 4,-3.2 -5,-0.3 5,-0.2 0.955 109.9 49.8 -60.9 -46.5 54.5 67.4 110.4 100 118 A R H X S+ 0 0 197 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 118.8 37.3 -54.8 -53.1 56.0 70.2 108.3 101 119 A R H X S+ 0 0 97 -4,-2.6 4,-3.8 2,-0.2 5,-0.3 0.917 117.0 50.9 -67.3 -44.8 55.9 72.7 111.2 102 120 A I H X S+ 0 0 0 -4,-3.9 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 50.2 -58.8 -45.8 56.8 70.1 113.9 103 121 A R H X S+ 0 0 114 -4,-3.2 4,-0.7 -5,-0.3 -1,-0.2 0.963 119.1 36.7 -58.2 -53.4 59.8 69.0 111.8 104 122 A K H >X S+ 0 0 134 -4,-2.2 3,-2.0 -5,-0.2 4,-0.6 0.979 115.2 53.1 -63.7 -58.2 60.9 72.6 111.4 105 123 A E H >< S+ 0 0 74 -4,-3.8 3,-1.6 1,-0.3 4,-0.5 0.886 110.0 49.4 -42.1 -52.8 60.0 73.9 114.9 106 124 A N H 3X>S+ 0 0 22 -4,-2.3 5,-1.2 -5,-0.3 4,-1.0 0.651 103.8 59.3 -67.1 -17.1 62.0 71.1 116.5 107 125 A V H <<5S+ 0 0 91 -3,-2.0 -1,-0.3 -4,-0.7 -2,-0.2 0.500 105.3 49.7 -90.8 -0.5 65.0 71.7 114.4 108 126 A D T <<5S+ 0 0 117 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.461 101.5 64.5-110.3 -5.8 65.3 75.2 115.7 109 127 A A T 45S- 0 0 87 -4,-0.5 -2,-0.2 -3,-0.1 -3,-0.1 0.957 123.1 -87.4 -80.4 -55.1 64.9 74.1 119.3 110 128 A G T <5 + 0 0 68 -4,-1.0 2,-0.4 1,-0.0 -3,-0.1 0.367 66.9 158.3 151.8 21.7 68.1 72.2 119.6 111 129 A E < + 0 0 69 -5,-1.2 2,-0.4 1,-0.0 -1,-0.0 -0.569 13.9 178.2 -72.4 122.0 67.2 68.7 118.4 112 130 A R - 0 0 218 -2,-0.4 -46,-0.0 0, 0.0 -5,-0.0 -0.990 32.5-112.1-133.2 127.4 70.3 66.7 117.3 113 131 A A - 0 0 86 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.166 40.5-114.0 -50.6 142.0 70.4 63.1 116.0 114 132 A K - 0 0 110 1,-0.1 136,-0.1 2,-0.0 -1,-0.1 -0.166 27.2-163.2 -73.1 177.0 72.2 60.9 118.4 115 133 A Q - 0 0 149 134,-0.3 -1,-0.1 135,-0.0 135,-0.1 0.622 25.4-111.4-121.3 -85.6 75.6 59.2 117.5 116 134 A A - 0 0 9 134,-0.2 3,-0.1 133,-0.1 137,-0.1 0.234 40.6 -96.2 133.2 100.2 77.0 56.3 119.4 117 135 A L - 0 0 63 135,-0.6 137,-0.4 1,-0.1 144,-0.2 -0.086 45.9-115.3 -39.5 120.2 80.2 56.8 121.5 118 136 A A - 0 0 16 142,-0.1 2,-1.2 1,-0.1 140,-0.2 -0.438 16.7-147.9 -65.8 128.3 83.1 55.8 119.3 119 137 A F - 0 0 0 138,-3.5 -1,-0.1 -2,-0.2 143,-0.1 -0.803 31.2-167.7 -97.4 89.8 84.9 52.8 120.7 120 138 A E > - 0 0 25 -2,-1.2 4,-2.4 141,-0.1 142,-0.1 -0.244 34.8-105.9 -78.0 169.7 88.3 53.8 119.4 121 139 A R H > S+ 0 0 131 140,-0.4 4,-2.8 2,-0.2 5,-0.3 0.912 120.7 57.3 -61.2 -43.5 91.4 51.8 119.2 122 140 A T H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 107.8 49.7 -50.4 -44.9 93.0 53.7 122.1 123 141 A D H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.973 110.4 50.9 -58.1 -52.2 90.0 52.7 124.0 124 142 A F H X S+ 0 0 13 -4,-2.4 4,-3.4 1,-0.2 -2,-0.2 0.888 107.8 49.2 -52.6 -52.2 90.6 49.1 122.9 125 143 A D H X S+ 0 0 61 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.883 111.3 52.4 -55.0 -41.6 94.2 48.9 123.9 126 144 A Q H X S+ 0 0 77 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.951 111.3 45.7 -60.5 -51.5 93.3 50.3 127.4 127 145 A V H >X>S+ 0 0 3 -4,-2.6 3,-2.4 1,-0.2 4,-1.7 0.990 113.2 49.5 -55.2 -60.2 90.6 47.6 127.7 128 146 A R H 3X5S+ 0 0 78 -4,-3.4 4,-1.8 1,-0.3 -2,-0.2 0.882 103.1 63.1 -43.6 -49.4 93.1 45.0 126.6 129 147 A S H 3<5S+ 0 0 62 -4,-3.3 4,-0.3 -5,-0.2 -1,-0.3 0.752 114.2 30.7 -49.1 -31.8 95.6 46.4 129.1 130 148 A L H - 0 0 140 1,-0.1 4,-2.6 -5,-0.1 3,-0.3 -0.532 60.0-134.8 -70.1 118.0 88.0 35.6 134.9 137 155 A C H > S+ 0 0 13 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.839 104.4 38.9 -33.8 -66.0 86.1 33.6 132.3 138 156 A Q H > S+ 0 0 53 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.875 111.6 60.2 -57.7 -40.5 83.5 36.3 131.5 139 157 A D H > S+ 0 0 25 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.947 109.7 43.8 -52.5 -46.0 86.3 38.9 131.7 140 158 A I H >X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 3,-1.5 0.984 110.1 52.2 -63.2 -60.7 87.9 37.0 129.0 141 159 A R H 3X S+ 0 0 31 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.890 107.1 56.3 -42.4 -46.6 84.9 36.5 126.9 142 160 A N H 3X S+ 0 0 17 -4,-3.3 4,-2.0 1,-0.2 -1,-0.3 0.840 105.5 49.6 -57.7 -36.5 84.3 40.2 127.1 143 161 A L H X>S+ 0 0 0 -4,-3.2 4,-1.2 -5,-0.3 5,-0.6 0.941 118.8 31.0 -50.9 -50.5 83.2 43.7 117.3 150 168 A Y H 3<5S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.817 120.3 52.4 -76.7 -35.3 86.0 46.2 116.7 151 169 A N H 3<5S+ 0 0 42 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.381 122.7 29.9 -83.3 4.2 88.0 43.9 114.3 152 170 A T H <<5S- 0 0 4 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.471 84.6-141.0-137.9 -12.0 85.0 43.3 112.1 153 171 A L T <5 + 0 0 9 -4,-1.2 2,-0.4 -5,-0.4 -3,-0.2 0.860 51.4 156.6 47.8 32.5 82.8 46.3 112.4 154 172 A L < - 0 0 36 -5,-0.6 -1,-0.2 -6,-0.5 105,-0.2 -0.750 49.3-111.2 -91.9 138.6 80.1 43.8 112.4 155 173 A R > - 0 0 82 -2,-0.4 4,-1.7 125,-0.2 3,-0.1 -0.257 35.1-108.4 -61.1 156.3 76.8 44.7 113.9 156 174 A I H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.940 112.4 61.8 -52.9 -57.6 76.1 42.8 117.1 157 175 A A H > S+ 0 0 40 1,-0.3 4,-3.1 2,-0.2 3,-0.3 0.879 107.2 45.4 -36.2 -60.0 73.4 40.5 115.8 158 176 A E H > S+ 0 0 64 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.929 111.2 54.4 -50.8 -48.3 75.8 39.0 113.4 159 177 A I H < S+ 0 0 1 -4,-1.7 47,-0.3 1,-0.2 -1,-0.3 0.884 111.7 44.1 -53.9 -42.5 78.3 38.8 116.2 160 178 A A H < S+ 0 0 18 -4,-2.7 63,-0.3 -3,-0.3 -1,-0.2 0.915 107.6 59.2 -69.5 -42.0 75.8 36.9 118.3 161 179 A R H < S+ 0 0 154 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.739 80.8 114.2 -60.4 -25.8 74.8 34.6 115.4 162 180 A I < - 0 0 38 -4,-1.5 43,-1.3 -3,-0.3 44,-0.4 -0.193 47.8-165.6 -59.0 138.2 78.3 33.3 114.9 163 181 A R - 0 0 94 41,-0.3 41,-0.3 42,-0.1 4,-0.3 -0.467 29.9 -94.4-110.4-178.3 79.0 29.6 115.7 164 182 A V S > S+ 0 0 18 39,-0.2 3,-3.6 1,-0.2 -1,-0.1 0.990 115.3 41.9 -64.5 -83.6 82.0 27.4 116.2 165 183 A K T 3 S+ 0 0 112 1,-0.3 -1,-0.2 33,-0.1 39,-0.0 0.676 98.7 78.7 -40.0 -25.2 82.9 25.8 112.9 166 184 A D T 3 S+ 0 0 102 1,-0.1 2,-1.2 2,-0.1 -1,-0.3 0.763 75.9 84.7 -57.8 -24.4 82.2 29.1 111.2 167 185 A I < - 0 0 20 -3,-3.6 2,-0.7 -4,-0.3 -1,-0.1 -0.691 65.1-176.8 -83.3 94.9 85.7 30.1 112.5 168 186 A S - 0 0 55 -2,-1.2 2,-2.9 2,-0.1 5,-0.1 -0.849 30.1-133.6-100.2 111.3 88.0 28.9 109.8 169 187 A R + 0 0 141 -2,-0.7 2,-0.7 6,-0.2 6,-0.3 -0.343 44.2 173.7 -59.3 78.9 91.7 29.4 110.6 170 188 A T - 0 0 86 -2,-2.9 4,-0.1 4,-0.6 -2,-0.1 -0.847 44.1 -9.5-103.4 114.6 92.1 30.7 107.1 171 189 A D S > S+ 0 0 137 -2,-0.7 3,-2.5 1,-0.1 -1,-0.1 0.612 128.6 18.6 76.0 131.0 95.5 32.1 106.2 172 190 A G T 3 S- 0 0 72 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.250 125.0 -75.4 65.7 -15.3 98.4 32.8 108.6 173 191 A G T 3 S+ 0 0 45 1,-0.4 -1,-0.3 -4,-0.1 2,-0.2 0.466 101.4 129.8 102.0 8.1 96.7 30.5 111.1 174 192 A R < 0 0 99 -3,-2.5 -4,-0.6 1,-0.2 -1,-0.4 -0.641 360.0 360.0 -96.0 152.5 94.1 33.2 111.9 175 193 A M 0 0 10 -6,-0.3 -6,-0.2 -2,-0.2 5,-0.2 0.175 360.0 360.0 -64.3 360.0 90.4 32.5 111.9 176 ! 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 0.0 177 210 A E 0 0 237 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.0 84.4 36.0 105.6 178 211 A K - 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0 0 15 -41,-0.3 -41,-0.3 14,-0.2 14,-0.1 -0.996 13.8-124.7-140.5 145.3 78.4 29.7 119.2 205 238 A L S S+ 0 0 4 -43,-1.3 2,-0.2 -2,-0.4 -1,-0.2 0.956 102.2 35.9 -49.4 -50.9 81.6 31.7 119.5 206 239 A F S S+ 0 0 13 -44,-0.4 2,-0.2 -47,-0.3 17,-0.2 -0.661 71.2 162.3-105.8 157.3 80.0 33.4 122.5 207 240 A C - 0 0 5 -2,-0.2 2,-0.1 10,-0.1 15,-0.0 -0.874 41.8 -55.1-154.3-174.2 77.7 32.1 125.3 208 241 A R - 0 0 155 8,-0.7 2,-0.4 -2,-0.2 15,-0.0 -0.447 36.9-158.0 -73.9 144.3 76.3 32.7 128.8 209 242 A V - 0 0 26 -2,-0.1 6,-0.2 7,-0.1 4,-0.2 -0.772 15.6-144.4-131.5 88.8 78.6 33.2 131.7 210 243 A R > - 0 0 116 4,-1.3 3,-1.7 5,-0.7 -72,-0.2 0.189 29.5-102.5 -42.0 161.5 76.9 32.4 135.0 211 244 A K T 3 S+ 0 0 216 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.619 119.5 69.2 -68.8 -11.3 77.7 34.3 138.2 212 245 A N T 3 S- 0 0 110 2,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.288 118.9-109.3 -89.2 10.0 79.8 31.4 139.3 213 246 A G S < S+ 0 0 28 -3,-1.7 2,-0.4 1,-0.2 -76,-0.3 0.595 78.3 130.6 75.7 11.4 82.3 32.2 136.5 214 247 A V - 0 0 80 1,-0.2 -4,-1.3 -77,-0.1 -1,-0.2 -0.801 51.1-134.9-101.8 140.4 81.3 29.2 134.5 215 248 A A - 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