==== 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 TRANSFERASE/DNA 04-JAN-96 8ICR . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.0 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 . 1 0.3 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 . 1 0.3 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 2 1 1 3 2 0 0 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 9 A E 0 0 214 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -24.4 67.2 58.0 56.7 2 10 A T + 0 0 127 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.217 360.0 71.0-157.5 -19.9 67.4 59.2 60.3 3 11 A L S S+ 0 0 63 1,-0.2 42,-0.2 36,-0.1 4,-0.1 0.859 113.8 27.4 -77.4 -32.6 65.1 62.2 60.1 4 12 A N S > S+ 0 0 8 35,-0.2 4,-2.8 1,-0.1 5,-0.3 0.309 91.0 126.3-111.5 15.0 62.0 60.0 59.7 5 13 A G H >> S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 3,-0.7 0.812 73.0 34.3 -28.4 -89.7 63.5 57.1 61.6 6 14 A G H 3> S+ 0 0 36 1,-0.3 4,-3.3 -4,-0.2 5,-0.3 0.847 117.2 59.9 -43.6 -43.2 61.0 56.2 64.4 7 15 A I H 3> S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.930 111.7 35.5 -54.4 -52.2 58.3 57.2 62.0 8 16 A T H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 3,-0.8 0.982 110.4 48.3 -53.0 -63.9 52.9 46.9 58.7 16 24 A N H 3X S+ 0 0 81 -4,-2.7 4,-2.0 1,-0.3 5,-0.4 0.797 108.5 54.7 -48.8 -35.3 54.6 43.8 59.7 17 25 A F H 3X>S+ 0 0 32 -4,-1.8 5,-1.6 -5,-0.3 4,-0.6 0.941 104.5 51.7 -72.6 -36.0 52.2 43.0 62.3 18 26 A E H <<5S+ 0 0 6 -4,-2.1 6,-1.4 -3,-0.8 -2,-0.2 0.944 110.1 51.4 -63.8 -40.7 49.2 43.3 60.0 19 27 A K H <5S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.943 122.2 23.8 -62.9 -46.0 50.7 40.9 57.7 20 28 A N H <5S+ 0 0 20 -4,-2.0 -3,-0.2 3,-0.1 -2,-0.1 0.969 129.0 33.6 -84.7 -66.4 51.7 38.1 60.2 21 29 A V T <5S+ 0 0 28 -4,-0.6 2,-0.3 -5,-0.4 -3,-0.2 0.948 127.8 36.5 -58.0 -47.7 49.4 38.2 63.2 22 30 A S S + 0 0 23 -6,-1.4 4,-2.2 -2,-0.9 5,-0.3 -0.620 24.0 171.4-111.1 73.5 45.3 41.9 56.5 25 33 A I H > S+ 0 0 112 -2,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.812 77.9 56.6 -46.8 -37.4 47.3 42.2 53.3 26 34 A H H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.977 109.9 37.3 -60.5 -64.5 45.7 45.6 52.7 27 35 A K H > S+ 0 0 105 1,-0.3 4,-3.1 2,-0.3 5,-0.3 0.889 115.2 56.2 -54.4 -46.0 46.6 47.5 55.9 28 36 A Y H X S+ 0 0 33 -4,-2.2 4,-0.9 1,-0.3 -1,-0.3 0.877 110.8 45.0 -54.9 -36.7 49.9 45.8 55.8 29 37 A N H X S+ 0 0 79 -4,-1.2 4,-1.7 -5,-0.3 -2,-0.3 0.832 111.4 53.5 -77.2 -34.7 50.2 47.3 52.4 30 38 A A H >X S+ 0 0 31 -4,-2.2 4,-2.1 2,-0.2 3,-0.6 0.991 106.2 50.8 -59.9 -62.7 49.0 50.6 53.6 31 39 A Y H 3X S+ 0 0 12 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.761 110.8 54.0 -45.6 -36.2 51.5 50.9 56.4 32 40 A R H 3X S+ 0 0 128 -4,-0.9 4,-2.2 -5,-0.3 -1,-0.2 0.868 105.3 44.3 -76.4 -41.1 54.2 50.1 54.0 33 41 A K H X S+ 0 0 35 -4,-2.8 3,-1.9 2,-0.2 4,-1.5 0.966 110.5 50.2 -73.8 -56.1 56.8 57.8 51.5 38 46 A I H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 107.7 62.5 -52.9 -25.8 57.5 59.5 54.9 39 47 A A H 3< S+ 0 0 43 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.813 103.2 44.5 -66.4 -34.2 60.9 57.8 54.4 40 48 A K H << S+ 0 0 174 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.866 86.2 115.8 -76.0 -43.6 61.6 59.8 51.2 41 49 A Y < - 0 0 51 -4,-1.5 -38,-0.1 1,-0.1 4,-0.1 0.055 62.3-140.1 -37.6 130.5 60.5 63.2 52.7 42 50 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.373 73.1 52.1 -74.8 -9.6 63.2 65.8 53.0 43 51 A H S S- 0 0 107 -39,-0.0 2,-0.6 -40,-0.0 -40,-0.0 -0.869 93.2 -82.8-134.4 171.4 62.3 67.3 56.3 44 52 A K - 0 0 121 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.633 44.7-128.7 -73.1 109.8 61.4 66.5 59.9 45 53 A I - 0 0 6 -2,-0.6 3,-0.1 -42,-0.2 -1,-0.1 -0.355 27.6-177.2 -59.9 122.4 57.7 65.5 60.1 46 54 A K - 0 0 146 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.471 54.2 -6.1-107.3 3.0 56.5 67.6 62.8 47 55 A S S > S- 0 0 31 1,-0.2 4,-2.0 22,-0.0 5,-0.2 -0.987 72.4 -87.8-178.7 172.0 52.9 66.4 63.0 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.2 3,-0.8 0.989 120.0 48.8 -54.5 -69.3 50.1 64.3 61.8 49 57 A A H 3> S+ 0 0 70 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.754 107.6 53.2 -39.0 -47.7 48.8 66.8 59.4 50 58 A E H >4 S+ 0 0 44 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.938 116.5 39.9 -57.1 -48.6 52.2 67.6 57.8 51 59 A A H X< S+ 0 0 0 -4,-2.0 3,-3.1 -3,-0.8 -2,-0.2 0.911 106.5 67.1 -62.6 -46.8 52.6 64.0 57.1 52 60 A K H 3< S+ 0 0 92 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.731 84.8 70.6 -44.5 -36.1 49.0 63.8 56.2 53 61 A K T << S+ 0 0 166 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.560 87.0 99.9 -61.0 -12.3 49.7 65.9 53.1 54 62 A L S X S- 0 0 39 -3,-3.1 3,-0.8 -5,-0.1 2,-0.4 -0.374 86.0-105.9 -80.4 158.7 51.4 62.9 51.9 55 63 A P T 3 S+ 0 0 88 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.672 108.2 21.3 -81.9 132.6 50.2 60.4 49.5 56 64 A G T 3 S+ 0 0 29 -2,-0.4 2,-1.0 1,-0.2 -22,-0.2 0.172 98.9 113.2 92.4 -13.8 49.3 57.2 51.4 57 65 A V < + 0 0 9 -3,-0.8 -1,-0.2 -6,-0.2 2,-0.1 -0.780 41.5 164.1-100.6 115.0 49.0 59.0 54.4 58 66 A G > - 0 0 25 -2,-1.0 4,-2.3 -3,-0.1 5,-0.2 -0.329 54.2 -80.3-105.2-169.1 45.6 59.1 55.7 59 67 A T H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.823 121.2 58.5 -62.2 -42.4 43.9 59.9 58.8 60 68 A K H > S+ 0 0 135 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.902 114.3 34.3 -59.3 -48.0 44.6 56.6 60.4 61 69 A I H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.848 113.7 58.7 -76.0 -41.6 48.4 56.8 60.1 62 70 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.894 104.7 55.1 -57.0 -35.3 48.5 60.5 60.7 63 71 A E H X S+ 0 0 132 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.907 105.9 47.2 -64.1 -41.6 46.8 59.7 63.8 64 72 A K H X S+ 0 0 37 -4,-0.8 4,-1.9 -3,-0.3 -1,-0.2 0.821 106.3 62.8 -67.5 -34.1 49.5 57.3 64.9 65 73 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 3,-0.4 0.978 102.2 46.5 -58.6 -57.4 52.0 59.9 63.9 66 74 A D H X S+ 0 0 79 -4,-2.0 4,-5.6 1,-0.2 -2,-0.2 0.933 113.2 48.6 -48.1 -57.4 50.8 62.5 66.5 67 75 A E H X S+ 0 0 77 -4,-1.6 4,-2.0 1,-0.3 6,-0.7 0.827 113.7 48.9 -52.7 -36.1 50.7 59.9 69.4 68 76 A F H < S+ 0 0 50 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.914 118.1 37.7 -74.4 -39.3 54.1 58.8 68.4 69 77 A L H < S+ 0 0 65 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.979 117.5 53.2 -71.3 -50.7 55.4 62.3 68.3 70 78 A A H < S+ 0 0 84 -4,-5.6 2,-0.5 -5,-0.2 -3,-0.2 0.920 126.5 14.6 -42.8 -69.4 53.4 63.3 71.3 71 79 A T S < S- 0 0 72 -4,-2.0 2,-4.5 2,-0.3 -1,-0.1 -0.919 92.1-113.8-107.3 132.7 54.5 60.6 73.7 72 80 A G S S+ 0 0 75 -2,-0.5 2,-0.3 -3,-0.0 -4,-0.2 -0.182 93.2 52.6 -66.7 62.6 57.6 58.8 72.5 73 81 A K S S- 0 0 95 -2,-4.5 2,-0.3 -6,-0.7 -2,-0.3 -0.918 71.7-125.6-167.0-171.2 55.4 55.6 72.1 74 82 A L > - 0 0 3 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.946 12.5-143.7-151.4 127.9 52.3 54.1 70.6 75 83 A R H >> S+ 0 0 161 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 0.986 103.2 51.9 -60.5 -54.4 49.7 52.1 72.6 76 84 A K H 3> S+ 0 0 87 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.866 110.4 50.2 -46.5 -42.1 49.0 49.6 69.8 77 85 A L H 3> S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.912 111.2 48.4 -69.7 -33.3 52.7 49.0 69.6 78 86 A E H X S+ 0 0 126 -4,-2.6 4,-3.5 2,-0.2 3,-0.6 0.940 115.1 45.4 -55.3 -56.9 49.9 46.1 73.3 80 88 A I H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.3 55.8 -54.6 -40.8 51.2 44.0 70.3 81 89 A R H 3< S+ 0 0 168 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.823 116.0 38.3 -62.1 -38.2 54.7 43.9 71.8 82 90 A Q H << S+ 0 0 139 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.952 91.0 110.2 -77.0 -56.1 53.1 42.4 75.0 83 91 A D X - 0 0 64 -4,-3.5 4,-2.6 1,-0.1 5,-0.2 0.116 54.9-156.9 -33.8 103.1 50.5 40.2 73.1 84 92 A D H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 86.5 55.2 -51.9 -52.5 51.4 36.7 73.5 85 93 A T H > S+ 0 0 51 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.935 114.5 40.8 -51.7 -48.8 49.6 35.3 70.5 86 94 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.874 110.8 57.6 -69.3 -32.5 51.4 37.6 68.2 87 95 A S H X S+ 0 0 45 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.937 107.9 49.6 -58.2 -43.2 54.6 37.1 70.1 88 96 A S H X S+ 0 0 9 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.907 109.2 48.7 -62.4 -49.0 54.3 33.5 69.3 89 97 A I H X S+ 0 0 5 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.889 108.4 54.7 -63.9 -35.2 53.6 33.9 65.7 90 98 A N H < S+ 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.924 116.1 38.3 -61.0 -41.6 56.5 36.2 65.5 91 99 A F H >< S+ 0 0 63 -4,-1.8 3,-1.8 2,-0.2 -2,-0.2 0.806 110.9 53.9 -74.8 -47.0 58.8 33.5 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.3 -3,-0.2 0.859 97.6 70.1 -58.8 -35.9 57.5 30.3 65.5 93 101 A T T 3< S+ 0 0 39 -4,-1.3 5,-0.3 -5,-0.4 -1,-0.3 0.713 82.5 74.5 -55.4 -23.2 58.0 31.9 62.2 94 102 A R T < S+ 0 0 119 -3,-1.8 2,-0.4 2,-0.1 -1,-0.3 0.633 71.6 97.0 -68.8 -15.8 61.7 31.6 62.8 95 103 A V S X S- 0 0 3 -3,-2.2 3,-2.3 -4,-0.2 2,-0.1 -0.655 89.7-110.3 -77.6 128.4 61.8 28.0 62.1 96 104 A S T 3 S+ 0 0 43 -2,-0.4 35,-0.4 35,-0.3 36,-0.1 -0.376 107.3 30.1 -57.9 124.5 62.8 27.3 58.5 97 105 A G T 3 S+ 0 0 31 1,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.387 97.4 105.3 105.5 -0.7 59.7 26.1 56.8 98 106 A I < + 0 0 11 -3,-2.3 -1,-0.3 -5,-0.3 -3,-0.0 -0.966 43.2 176.2-120.7 126.6 57.2 28.0 58.9 99 107 A G > - 0 0 27 -2,-0.6 4,-3.5 -3,-0.1 5,-0.2 -0.534 49.4 -86.9-112.9 178.5 55.5 30.9 57.7 100 108 A P H > S+ 0 0 41 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.924 124.1 56.5 -53.9 -47.2 52.8 33.1 59.2 101 109 A S H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.915 113.7 38.2 -53.9 -47.6 50.1 30.9 57.9 102 110 A A H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.907 110.7 60.7 -73.1 -36.1 51.5 27.9 59.6 103 111 A A H X S+ 0 0 0 -4,-3.5 4,-1.3 1,-0.2 -2,-0.2 0.891 104.8 50.5 -55.6 -39.4 52.5 30.0 62.6 104 112 A R H >X S+ 0 0 59 -4,-3.0 4,-2.4 -5,-0.2 3,-0.8 0.991 109.7 48.6 -61.2 -58.4 48.8 30.9 63.1 105 113 A K H 3X S+ 0 0 101 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.874 108.6 54.3 -46.5 -47.6 47.6 27.3 62.9 106 114 A F H 3<>S+ 0 0 0 -4,-2.4 5,-5.5 1,-0.3 4,-0.3 0.850 110.9 45.1 -58.0 -38.1 50.2 26.0 65.4 107 115 A V H <<5S+ 0 0 2 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.853 108.0 58.6 -74.1 -37.5 49.2 28.5 67.9 108 116 A D H <5S+ 0 0 124 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.959 109.1 42.2 -57.2 -49.6 45.7 27.8 67.3 109 117 A E T <5S- 0 0 109 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.712 132.3-103.7 -68.2 -15.7 46.3 24.3 68.2 110 118 A G T 5S+ 0 0 31 -4,-0.3 2,-1.0 -5,-0.3 -3,-0.3 0.715 70.4 146.1 100.5 27.9 48.3 25.9 71.0 111 119 A I < + 0 0 7 -5,-5.5 -1,-0.2 1,-0.2 -3,-0.1 -0.799 9.5 141.8-101.6 95.7 51.9 25.4 69.8 112 120 A K + 0 0 75 -2,-1.0 2,-0.2 -5,-0.1 -1,-0.2 0.687 50.8 60.6-106.2 -27.8 53.8 28.4 71.0 113 121 A T S > S- 0 0 61 -3,-0.2 4,-2.8 1,-0.1 5,-0.1 -0.690 79.3-117.1-110.6 161.3 57.1 27.1 72.0 114 122 A L H > S+ 0 0 31 1,-0.3 4,-1.8 -2,-0.2 -1,-0.1 0.827 122.0 49.9 -58.1 -34.5 60.1 25.3 70.5 115 123 A E H > S+ 0 0 126 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.883 106.2 54.4 -73.1 -36.9 59.3 22.5 72.8 116 124 A D H > S+ 0 0 48 1,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.904 107.4 52.6 -60.6 -37.7 55.7 22.6 71.7 117 125 A L H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.2 -1,-0.3 0.949 110.5 47.4 -61.7 -44.5 57.1 22.2 68.4 118 126 A R H >< S+ 0 0 113 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.834 103.6 56.6 -64.3 -44.0 59.1 19.2 69.6 119 127 A K H 3< S+ 0 0 160 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.633 116.2 42.5 -66.6 -11.5 56.4 17.3 71.4 120 128 A N T X< + 0 0 37 -3,-0.7 3,-1.3 -4,-0.7 4,-0.4 -0.187 62.9 144.8-128.4 44.1 54.6 17.5 68.1 121 129 A E G X + 0 0 99 -3,-1.3 3,-0.9 1,-0.3 -1,-0.1 0.745 69.3 67.9 -50.0 -29.4 57.1 16.8 65.5 122 130 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.777 88.4 58.8 -60.0 -42.3 54.4 15.0 63.6 123 131 A K G < S+ 0 0 83 -3,-1.3 2,-0.3 -6,-0.1 -1,-0.3 0.569 97.5 85.1 -67.1 -10.7 52.2 18.0 62.7 124 132 A L S < S- 0 0 5 -3,-0.9 2,-0.0 -4,-0.4 -7,-0.0 -0.721 75.2-133.5 -96.5 144.9 55.3 19.2 61.0 125 133 A N > - 0 0 83 -2,-0.3 4,-1.9 -28,-0.1 5,-0.2 -0.152 38.8 -89.7 -83.5-175.4 56.5 18.5 57.4 126 134 A H H > S+ 0 0 114 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.943 124.3 53.1 -59.8 -52.6 60.0 17.5 56.4 127 135 A H H > S+ 0 0 43 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.923 115.0 42.8 -43.7 -58.5 61.2 21.1 55.8 128 136 A Q H > S+ 0 0 13 -31,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.747 109.4 57.3 -58.9 -35.9 60.0 22.1 59.2 129 137 A R H X S+ 0 0 105 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.925 111.7 41.9 -65.9 -43.2 61.4 19.0 60.8 130 138 A I H X S+ 0 0 4 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.917 112.1 54.3 -68.6 -41.6 64.7 19.8 59.5 131 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.3 -35,-0.4 -1,-0.2 0.797 112.8 44.6 -60.4 -34.1 64.4 23.5 60.4 132 140 A L H >< S+ 0 0 11 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.2 0.838 107.7 59.1 -77.8 -37.1 63.5 22.5 64.0 133 141 A K H 3< S+ 0 0 132 -4,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.901 119.1 27.3 -59.0 -45.8 66.3 20.0 64.1 134 142 A Y T 3X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 -0.300 76.8 134.1-111.5 43.5 69.0 22.7 63.4 135 143 A F H <> S+ 0 0 24 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.902 77.7 45.3 -58.7 -40.5 67.2 25.6 64.8 136 144 A G H >> S+ 0 0 41 -3,-0.2 3,-1.2 -4,-0.2 4,-0.9 0.997 114.5 45.0 -66.2 -68.0 70.4 26.6 66.6 137 145 A D H 34 S+ 0 0 33 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.816 111.1 56.0 -48.7 -35.8 72.8 26.1 63.7 138 146 A F H 3< S+ 0 0 41 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.885 102.5 54.3 -67.9 -32.6 70.5 27.9 61.3 139 147 A E H << S+ 0 0 100 -3,-1.2 -1,-0.2 -4,-1.2 -2,-0.2 0.751 94.0 90.9 -69.5 -25.4 70.4 30.9 63.4 140 148 A K S < S- 0 0 115 -4,-0.9 2,-0.1 -3,-0.4 -4,-0.0 -0.397 77.0-116.4 -75.2 144.0 74.3 31.3 63.4 141 149 A R - 0 0 142 -2,-0.1 40,-0.2 1,-0.1 -1,-0.1 -0.348 28.2-114.9 -75.1 155.4 76.3 33.3 60.9 142 150 A I E -A 180 0A 0 38,-5.8 38,-2.6 -2,-0.1 2,-0.2 -0.838 26.2-135.6 -98.3 112.1 78.9 31.5 58.7 143 151 A P E >> -A 179 0A 38 0, 0.0 3,-2.3 0, 0.0 4,-1.7 -0.440 12.9-130.4 -66.5 131.2 82.4 32.5 59.4 144 152 A R H 3> S+ 0 0 64 34,-3.1 4,-2.6 1,-0.3 5,-0.2 0.773 106.2 68.9 -47.0 -34.8 84.4 33.2 56.2 145 153 A E H 34 S+ 0 0 121 33,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.823 109.0 37.1 -53.1 -37.8 87.2 31.0 57.5 146 154 A E H <> S+ 0 0 26 -3,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.673 106.8 65.1 -83.2 -34.6 84.7 28.1 57.1 147 155 A M H X S+ 0 0 2 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.931 101.9 52.2 -58.5 -41.3 83.3 29.6 54.0 148 156 A L H X S+ 0 0 80 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.876 110.3 46.5 -63.0 -38.7 86.8 29.0 52.6 149 157 A Q H > S+ 0 0 62 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.845 114.9 46.7 -74.8 -29.7 86.7 25.3 53.6 150 158 A M H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.975 113.4 47.2 -71.4 -55.6 83.2 24.7 52.3 151 159 A Q H X S+ 0 0 61 -4,-3.2 4,-2.1 1,-0.2 5,-0.2 0.879 110.6 56.6 -50.8 -40.6 84.0 26.5 48.9 152 160 A D H X S+ 0 0 87 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.974 111.1 39.5 -54.0 -62.1 87.1 24.4 48.9 153 161 A I H >X S+ 0 0 35 -4,-2.0 4,-1.8 1,-0.2 3,-1.0 0.918 113.0 54.8 -54.5 -53.4 85.3 21.1 49.2 154 162 A V H 3X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.915 106.7 50.2 -51.2 -50.6 82.4 22.0 46.9 155 163 A L H 3X S+ 0 0 52 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.3 0.719 108.0 55.5 -62.9 -23.3 84.6 23.0 44.0 156 164 A N H + 0 0 2 14,-2.0 4,-0.5 -2,-0.9 3,-0.4 0.034 33.8 60.8 -90.1-161.5 78.1 33.9 44.9 171 179 A G H > S- 0 0 14 93,-0.3 4,-0.9 90,-0.2 3,-0.2 -0.352 107.2 -33.0 82.7-164.1 76.7 36.2 47.5 172 180 A S H 4>S+ 0 0 29 1,-0.2 5,-0.8 2,-0.2 -1,-0.2 0.801 132.2 62.0 -68.0 -34.5 78.5 38.3 50.2 173 181 A F H >45S+ 0 0 11 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.904 102.7 51.0 -56.1 -43.0 81.2 35.8 50.5 174 182 A R H 3<5S+ 0 0 48 -4,-0.5 -1,-0.2 1,-0.3 149,-0.2 0.823 109.7 51.9 -59.7 -41.2 82.1 36.4 46.9 175 183 A R T 3<5S- 0 0 54 -4,-0.9 2,-0.6 147,-0.2 -1,-0.3 -0.184 128.3 -88.4 -88.5 30.0 82.2 40.2 47.6 176 184 A G T < 5 + 0 0 37 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 -0.274 67.6 160.4 96.6 -53.4 84.5 40.1 50.6 177 185 A A < - 0 0 33 -5,-0.8 -1,-0.2 -2,-0.6 3,-0.1 0.434 40.0-138.7 -12.1 130.9 82.1 39.6 53.7 178 186 A E S S+ 0 0 142 1,-0.1 -34,-3.1 -35,-0.1 2,-0.3 0.774 86.8 13.8 -70.6 -27.2 83.6 38.3 57.0 179 187 A S E -A 143 0A 41 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.978 67.6-156.4-146.9 158.3 80.6 36.1 57.5 180 188 A S E -A 142 0A 2 -38,-2.6 -38,-5.8 -2,-0.3 3,-0.1 -0.874 17.6-137.8-132.6 164.0 77.7 34.8 55.5 181 189 A G S S- 0 0 37 1,-0.3 65,-0.4 -2,-0.3 2,-0.3 0.885 84.0 -8.3 -86.6 -48.0 74.3 33.5 56.4 182 190 A D S S- 0 0 73 63,-0.1 2,-0.5 -40,-0.1 -1,-0.3 -0.925 78.1-101.9-143.2 161.8 74.0 30.5 54.1 183 191 A M E - c 0 247B 0 63,-2.8 65,-2.1 -2,-0.3 2,-0.6 -0.778 28.8-165.0 -98.3 128.6 76.1 29.3 51.2 184 192 A D E - c 0 248B 26 -2,-0.5 -14,-2.0 -14,-0.4 2,-0.5 -0.641 3.7-173.1-109.4 83.9 75.0 30.0 47.6 185 193 A V E -Bc 169 249B 1 63,-1.2 65,-1.6 -2,-0.6 2,-0.6 -0.583 11.4-153.1 -78.9 123.2 76.7 27.9 44.7 186 194 A L E -Bc 168 250B 3 -18,-2.3 -18,-1.0 -2,-0.5 2,-0.3 -0.774 21.1-164.9 -91.1 118.6 75.8 29.1 41.0 187 195 A L E +Bc 167 251B 0 63,-3.0 65,-1.5 -2,-0.6 2,-0.3 -0.770 17.5 159.1-113.2 156.9 76.2 26.2 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.3 -22,-1.9 -2,-0.3 5,-0.1 -0.991 17.3-159.2-159.6 165.2 76.4 25.7 35.0 189 197 A H E > - c 0 253B 13 63,-0.9 3,-1.1 3,-0.5 65,-1.0 -0.963 27.7-128.2-148.6 153.8 77.5 23.4 32.3 190 198 A P T 3 S+ 0 0 55 0, 0.0 -25,-0.1 0, 0.0 -1,-0.1 0.700 111.3 64.5 -71.7 -28.0 78.2 23.9 28.6 191 199 A S T 3 S+ 0 0 56 -27,-0.1 2,-0.4 1,-0.1 11,-0.0 0.538 99.3 64.2 -73.4 -9.5 75.9 21.2 27.9 192 200 A F < + 0 0 15 -3,-1.1 62,-4.1 60,-0.2 -3,-0.5 -0.986 61.5 132.4-130.2 126.1 73.0 23.4 29.3 193 201 A T - 0 0 31 -2,-0.4 5,-0.3 60,-0.4 61,-0.1 -0.959 68.5 -56.3-160.6 164.9 71.8 26.6 27.8 194 202 A S S S+ 0 0 61 -2,-0.3 3,-0.0 1,-0.1 -2,-0.0 0.508 127.3 15.8 -15.4 -47.0 68.7 28.5 26.8 195 203 A E S S+ 0 0 150 1,-0.1 3,-0.3 2,-0.0 -1,-0.1 0.859 85.2 105.6 -96.6 -80.6 67.4 25.8 24.4 196 204 A S S S- 0 0 45 1,-0.2 2,-1.5 3,-0.0 -3,-0.2 0.271 87.2-111.7 -11.0 68.5 69.0 22.3 24.8 197 205 A T - 0 0 138 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.273 56.1 -95.1 -10.2 45.5 66.1 20.7 26.5 198 206 A K - 0 0 106 -2,-1.5 -3,-0.0 -5,-0.3 -5,-0.0 -0.023 20.1-134.3 67.6-169.2 67.8 20.3 29.9 199 207 A Q > - 0 0 77 25,-0.2 3,-4.9 -7,-0.0 4,-0.2 -0.088 17.1-170.9 169.4 61.8 69.7 17.4 31.6 200 208 A P T >> S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-1.2 0.695 81.8 70.7 -34.2 -38.8 68.4 17.2 35.1 201 209 A K H 3> S+ 0 0 128 1,-0.3 4,-5.0 2,-0.2 5,-0.4 0.789 82.7 77.2 -54.9 -28.0 71.1 14.8 36.1 202 210 A L H <> S+ 0 0 0 -3,-4.9 4,-0.9 1,-0.2 -1,-0.3 0.919 105.7 28.4 -47.4 -53.9 73.2 17.8 35.7 203 211 A L H <> S+ 0 0 0 -3,-1.2 4,-1.7 21,-0.3 -1,-0.2 0.920 122.9 56.6 -70.4 -42.9 72.0 19.1 39.1 204 212 A H H X S+ 0 0 49 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.844 98.3 55.3 -53.0 -54.5 71.5 15.6 40.3 205 213 A Q H X S+ 0 0 76 -4,-5.0 4,-1.6 1,-0.2 -1,-0.2 0.880 109.4 52.6 -49.7 -47.1 74.9 14.1 39.7 206 214 A V H X S+ 0 0 2 -4,-0.9 4,-2.7 -5,-0.4 5,-0.2 0.900 105.9 47.0 -57.0 -55.7 76.3 16.9 41.9 207 215 A V H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.929 110.9 56.0 -56.4 -43.2 74.1 16.6 45.0 208 216 A E H X S+ 0 0 126 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.901 108.2 46.7 -55.6 -43.3 74.8 12.9 44.9 209 217 A Q H X S+ 0 0 36 -4,-1.6 4,-2.4 -5,-0.2 5,-0.3 0.995 112.1 49.4 -65.7 -53.7 78.5 13.4 44.9 210 218 A L H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.3 6,-1.7 0.753 115.7 43.7 -56.2 -28.9 78.3 16.0 47.8 211 219 A Q H ><5S+ 0 0 72 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.3 0.840 107.5 61.3 -81.0 -38.0 76.2 13.7 49.8 212 220 A K H 3<5S+ 0 0 142 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.970 108.8 40.6 -50.6 -62.2 78.3 10.8 48.9 213 221 A V T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.501 123.1-108.1 -67.5 -2.3 81.3 12.4 50.5 214 222 A H T < 5S+ 0 0 143 -3,-1.1 -3,-0.2 -5,-0.3 18,-0.1 0.820 86.1 114.3 81.9 31.1 79.1 13.6 53.4 215 223 A F < + 0 0 3 -5,-3.0 17,-1.1 1,-0.2 2,-0.6 0.821 69.7 56.6 -99.2 -44.0 78.9 17.3 52.9 216 224 A I E +D 231 0B 6 -6,-1.7 15,-0.3 -9,-0.2 -1,-0.2 -0.793 61.7 172.0 -87.6 126.4 75.3 17.5 52.2 217 225 A T E + 0 0 51 13,-5.0 2,-0.3 -2,-0.6 14,-0.2 0.619 57.4 13.9-108.0 -14.6 73.5 16.1 55.0 218 226 A D E -D 230 0B 23 12,-1.8 12,-2.0 3,-0.0 2,-0.5 -0.993 58.7-132.6-155.7 162.2 70.0 16.9 54.2 219 227 A T E +D 229 0B 32 -2,-0.3 10,-0.3 10,-0.3 3,-0.2 -0.970 17.7 172.8-124.1 119.7 67.6 18.0 51.7 220 228 A L E S- 0 0 18 8,-3.2 2,-0.3 -2,-0.5 9,-0.2 0.842 84.1 -9.3 -86.1 -45.5 65.0 20.7 52.2 221 229 A S E -D 228 0B 48 7,-2.2 7,-2.4 -3,-0.1 2,-0.5 -0.909 58.4-173.3-158.8 129.1 64.2 20.6 48.5 222 230 A K E +D 227 0B 91 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.923 21.2 150.6-128.6 116.8 65.5 19.0 45.5 223 231 A G - 0 0 32 3,-1.7 -2,-0.0 -2,-0.5 5,-0.0 -0.635 59.7 -77.5-126.6-174.9 64.2 19.8 42.1 224 232 A E S S+ 0 0 110 -2,-0.2 -21,-0.3 1,-0.2 -25,-0.2 0.366 122.5 11.0 -68.6 0.3 65.6 19.9 38.6 225 233 A T S S+ 0 0 50 1,-0.3 26,-2.3 -22,-0.1 2,-0.4 0.454 123.8 51.1-152.6 -9.1 67.4 23.2 38.8 226 234 A K E - E 0 250B 95 24,-0.2 -3,-1.7 2,-0.0 2,-0.4 -0.957 57.4-171.7-144.3 115.1 67.4 24.3 42.4 227 235 A F E -DE 222 249B 0 22,-3.1 22,-1.3 -2,-0.4 2,-0.3 -0.818 4.7-168.9-101.7 145.3 68.6 22.1 45.2 228 236 A M E +DE 221 248B 35 -7,-2.4 -8,-3.2 -2,-0.4 -7,-2.2 -0.813 26.8 127.1-141.3 98.8 68.1 23.3 48.8 229 237 A G E -DE 219 247B 0 18,-1.9 18,-1.9 -2,-0.3 2,-0.3 -0.371 50.6 -90.0-129.9-150.7 69.8 21.5 51.6 230 238 A V E +DE 218 246B 0 -12,-2.0 -13,-5.0 16,-0.2 -12,-1.8 -0.987 35.6 178.4-133.8 135.4 72.0 21.3 54.8 231 239 A C E -DE 216 245B 0 14,-2.6 14,-3.3 -2,-0.3 2,-0.3 -0.822 7.8-166.2-132.1 171.2 75.8 20.7 54.9 232 240 A Q - 0 0 21 -17,-1.1 12,-0.1 -2,-0.3 3,-0.1 -0.880 21.8-120.8-167.1 133.4 78.5 20.4 57.4 233 241 A L - 0 0 4 10,-0.5 9,-0.8 -2,-0.3 3,-0.1 -0.598 50.7 -87.0 -82.1 139.1 82.1 20.4 57.6 234 242 A P - 0 0 76 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.164 35.6-120.8 -46.3 111.3 83.8 17.5 59.0 235 243 A S - 0 0 21 7,-0.1 3,-0.2 1,-0.1 6,-0.2 -0.564 43.9-130.7 -65.9 108.3 84.1 17.7 62.6 236 244 A K - 0 0 107 -2,-0.7 2,-0.6 4,-0.6 3,-0.1 0.870 59.9 -34.6 -31.6-139.8 88.0 17.4 62.6 237 245 A N S S- 0 0 164 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 -0.329 112.8 -96.4 -94.5 48.8 90.0 15.0 64.8 238 246 A D S S+ 0 0 87 -2,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.535 99.8 89.7 50.6 169.1 87.2 15.8 67.1 239 247 A E S S+ 0 0 197 -3,-0.1 2,-0.6 -4,-0.0 -1,-0.1 -0.497 95.4 62.1 109.0 -41.2 86.3 18.0 70.0 240 248 A K - 0 0 118 2,-0.0 -4,-0.6 0, 0.0 2,-0.3 -0.914 65.7-179.8-113.0 102.7 85.0 20.6 67.5 241 249 A E - 0 0 128 -2,-0.6 -8,-0.0 -6,-0.2 -6,-0.0 -0.774 30.6-117.5 -97.1 143.6 82.1 19.3 65.4 242 250 A Y - 0 0 42 -9,-0.8 -7,-0.1 -2,-0.3 3,-0.0 -0.478 23.1-102.8 -88.3 158.9 80.8 21.9 62.9 243 251 A P - 0 0 27 0, 0.0 -10,-0.5 0, 0.0 2,-0.4 -0.413 37.7-102.5 -74.8 159.0 77.4 23.6 62.6 244 252 A H - 0 0 23 -12,-0.1 2,-0.3 -14,-0.0 -12,-0.2 -0.659 44.1-161.5 -80.7 123.4 74.8 22.7 60.1 245 253 A R E - E 0 231B 11 -14,-3.3 -14,-2.6 -2,-0.4 2,-0.5 -0.822 18.6-114.5-117.0 155.8 74.7 25.1 57.3 246 254 A R E - E 0 230B 34 -65,-0.4 -63,-2.8 -2,-0.3 2,-0.4 -0.625 32.8-173.5 -82.1 125.9 72.3 26.1 54.7 247 255 A I E -cE 183 229B 0 -18,-1.9 -18,-1.9 -2,-0.5 2,-0.4 -0.951 10.9-173.6-125.6 146.8 73.3 25.4 51.2 248 256 A D E -cE 184 228B 20 -65,-2.1 -63,-1.2 -2,-0.4 2,-0.4 -0.987 4.9-178.9-136.7 120.1 71.6 26.3 47.9 249 257 A I E -cE 185 227B 1 -22,-1.3 -22,-3.1 -2,-0.4 2,-0.4 -0.990 7.8-172.7-123.3 131.2 73.0 25.0 44.6 250 258 A R E -cE 186 226B 55 -65,-1.6 -63,-3.0 -2,-0.4 2,-0.2 -0.995 19.4-130.0-134.3 134.4 71.3 26.0 41.3 251 259 A L E -c 187 0B 9 -26,-2.3 -63,-0.2 -2,-0.4 -48,-0.0 -0.574 25.7-163.0 -81.3 137.9 71.7 25.0 37.7 252 260 A I E -c 188 0B 30 -65,-1.5 -63,-0.9 -2,-0.2 2,-0.5 -0.984 29.9-113.3-133.9 137.6 72.1 27.6 35.0 253 261 A P E > -c 189 0B 22 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.535 38.0-129.2 -59.7 110.6 71.8 27.6 31.3 254 262 A K G > S+ 0 0 57 -62,-4.1 3,-1.0 -65,-1.0 4,-0.3 0.732 105.2 69.7 -39.1 -30.8 75.4 28.3 30.6 255 263 A D G 3 S+ 0 0 74 -63,-0.2 -1,-0.3 1,-0.2 50,-0.2 0.291 106.8 34.1 -77.2 16.0 74.3 31.1 28.4 256 264 A Q G <> S+ 0 0 38 -3,-2.2 4,-2.5 33,-0.1 -1,-0.2 0.280 81.5 115.4-146.1 6.0 73.1 33.2 31.4 257 265 A Y H <> S+ 0 0 2 -3,-1.0 4,-3.7 -4,-0.4 3,-0.5 0.935 78.9 40.6 -44.1 -75.1 75.7 32.3 34.0 258 266 A Y H > S+ 0 0 42 -4,-0.3 4,-4.3 1,-0.3 -1,-0.2 0.797 112.4 54.7 -49.3 -41.0 77.4 35.7 34.5 259 267 A C H > S+ 0 0 7 2,-0.2 4,-3.1 29,-0.2 -1,-0.3 0.955 117.3 38.3 -57.5 -46.4 74.2 37.7 34.4 260 268 A G H X S+ 0 0 5 -4,-2.5 4,-3.0 -3,-0.5 5,-0.3 0.953 118.6 47.8 -62.3 -55.7 73.0 35.4 37.1 261 269 A V H X S+ 0 0 2 -4,-3.7 4,-1.3 -5,-0.2 -90,-0.2 0.884 112.7 51.1 -52.4 -42.6 76.4 35.4 38.8 262 270 A L H >< S+ 0 0 3 -4,-4.3 3,-0.8 -5,-0.3 4,-0.3 0.991 112.8 46.2 -56.5 -59.5 76.4 39.1 38.4 263 271 A Y H >< S+ 0 0 64 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.867 110.7 46.8 -46.4 -64.3 73.1 39.4 40.0 264 272 A F H 3< S+ 0 0 59 -4,-3.0 -93,-0.3 1,-0.3 -1,-0.2 0.655 101.5 67.7 -60.3 -21.0 73.5 37.1 43.0 265 273 A T T << S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.629 91.2 138.8 -74.6 -12.8 76.7 38.7 43.9 266 274 A G < - 0 0 5 -3,-2.2 2,-0.2 -4,-0.3 -1,-0.1 -0.014 60.9-154.4 48.3-153.1 74.8 41.9 44.6 267 275 A S > - 0 0 13 59,-0.2 4,-3.4 -3,-0.1 5,-0.2 0.610 35.2-127.4 -80.3 171.3 74.7 44.0 46.6 268 276 A D H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.818 110.7 44.2 -45.3 -39.6 71.1 45.0 46.3 269 277 A I H > S+ 0 0 72 57,-0.3 4,-3.8 2,-0.2 5,-0.3 0.954 111.3 48.4 -72.4 -54.5 72.3 48.6 45.7 270 278 A F H > S+ 0 0 0 55,-0.4 4,-4.1 1,-0.2 5,-0.3 0.911 112.7 53.2 -51.0 -45.8 75.2 47.9 43.2 271 279 A N H X S+ 0 0 7 -4,-3.4 4,-4.7 2,-0.2 5,-0.3 0.963 112.0 41.9 -52.0 -61.8 72.8 45.8 41.4 272 280 A K H X S+ 0 0 141 -4,-1.9 4,-4.0 -5,-0.2 5,-0.2 0.954 117.6 47.5 -50.9 -58.2 70.2 48.5 41.2 273 281 A N H X S+ 0 0 86 -4,-3.8 4,-1.8 1,-0.3 -1,-0.2 0.877 115.6 45.0 -53.5 -41.6 72.8 51.1 40.4 274 282 A M H >X S+ 0 0 2 -4,-4.1 4,-1.9 -5,-0.3 3,-0.5 0.977 115.3 47.4 -66.8 -49.0 74.3 49.0 37.9 275 283 A R H 3X S+ 0 0 60 -4,-4.7 4,-0.6 -5,-0.3 -2,-0.2 0.821 108.4 55.6 -56.6 -36.8 70.9 48.2 36.5 276 284 A A H 3X S+ 0 0 57 -4,-4.0 4,-0.6 -5,-0.3 3,-0.4 0.865 107.3 50.5 -66.6 -35.4 70.0 51.7 36.6 277 285 A H H XX S+ 0 0 42 -4,-1.8 4,-2.7 -3,-0.5 3,-1.0 0.903 98.3 60.8 -68.7 -45.7 73.0 52.6 34.4 278 286 A A H 3<>S+ 0 0 0 -4,-1.9 5,-2.9 1,-0.3 -1,-0.2 0.760 100.1 64.6 -52.0 -25.6 72.6 50.1 31.6 279 287 A L H 3<5S+ 0 0 81 -4,-0.6 3,-0.5 -3,-0.4 -1,-0.3 0.826 108.0 34.6 -64.0 -46.3 69.2 51.9 31.1 280 288 A E H <<5S+ 0 0 159 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.948 111.1 62.7 -75.5 -53.4 70.8 55.2 30.1 281 289 A K T <5S- 0 0 86 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.416 132.3 -94.1 -52.2 3.5 73.6 53.4 28.4 282 290 A G T 5S+ 0 0 29 -3,-0.5 11,-3.2 1,-0.2 -3,-0.3 0.776 87.8 91.3 84.1 38.3 70.8 52.0 26.2 283 291 A F < - 0 0 29 -5,-2.9 2,-0.3 9,-0.3 -1,-0.2 -0.643 57.9-128.0-140.1-164.2 70.0 48.7 28.0 284 292 A T - 0 0 30 7,-0.4 7,-1.5 -2,-0.2 2,-0.4 -0.939 12.9-167.7-161.7 133.3 68.5 46.3 30.3 285 293 A I E +F 290 0C 18 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.987 14.6 162.3-126.7 132.0 69.8 43.9 32.9 286 294 A N E > -F 289 0C 39 3,-1.4 3,-1.0 -2,-0.4 -23,-0.1 -0.868 62.4 -73.2-139.9 167.6 67.8 41.2 34.6 287 295 A E T 3 S+ 0 0 68 -2,-0.3 -23,-0.1 1,-0.2 -24,-0.1 0.575 128.0 22.0 -43.4 -10.2 68.8 38.2 36.5 288 296 A Y T 3 S+ 0 0 118 -29,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.515 116.8 15.2-142.6 -0.5 69.7 36.5 33.1 289 297 A T E < -F 286 0C 22 -3,-1.0 -3,-1.4 -30,-0.1 2,-0.4 -0.954 51.7-127.0-160.2-177.3 70.4 38.7 30.3 290 298 A I E -F 285 0C 0 -2,-0.3 13,-1.9 13,-0.3 -5,-0.2 -0.819 26.3-164.3-149.7 105.1 71.2 42.0 28.9 291 299 A R - 0 0 73 -7,-1.5 -7,-0.4 -2,-0.4 2,-0.2 -0.791 20.7-123.5-100.2 132.4 69.2 43.5 26.2 292 300 A P - 0 0 39 0, 0.0 -9,-0.3 0, 0.0 2,-0.1 -0.461 35.4-124.6 -66.2 129.2 69.9 46.4 23.9 293 301 A L - 0 0 57 -11,-3.2 2,-0.3 -2,-0.2 5,-0.1 -0.439 20.6-150.7 -79.7 150.2 67.2 49.0 24.2 294 302 A G > - 0 0 26 -2,-0.1 3,-1.0 5,-0.1 -12,-0.0 -0.878 21.8-119.2-118.0 153.1 65.2 50.2 21.2 295 303 A V T 3 S+ 0 0 155 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.759 97.0 81.4 -63.9 -27.6 63.6 53.6 20.6 296 304 A T T 3 S- 0 0 130 2,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.538 125.4 -84.8 -56.4 -4.1 59.9 52.4 20.2 297 305 A G S < S+ 0 0 58 -3,-1.0 2,-0.3 1,-0.1 -1,-0.2 -0.351 105.6 15.6 130.1 -50.0 59.8 52.3 23.9 298 306 A V + 0 0 104 -5,-0.1 -2,-0.3 -6,-0.0 2,-0.3 -0.882 59.0 173.3-144.1 173.2 61.3 48.9 24.3 299 307 A A - 0 0 44 -2,-0.3 2,-0.1 -4,-0.1 -8,-0.1 -0.932 12.2-151.4-170.5 172.0 63.1 46.3 22.5 300 308 A G + 0 0 28 -2,-0.3 -16,-0.0 -7,-0.1 0, 0.0 -0.280 31.0 136.8-130.5-145.8 64.9 42.9 23.1 301 309 A E - 0 0 148 -10,-0.1 2,-0.1 -2,-0.1 -1,-0.0 0.956 51.0-122.7 89.4 67.0 67.8 40.8 21.6 302 310 A P - 0 0 66 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.048 23.7-137.5 -37.8 98.5 70.0 39.1 24.3 303 311 A L - 0 0 54 -13,-1.9 2,-0.4 1,-0.1 -13,-0.3 -0.350 27.4-100.0 -65.6 142.7 73.7 40.2 23.9 304 312 A P - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.489 39.0-168.1 -68.4 119.2 76.4 37.4 24.3 305 313 A V + 0 0 24 -2,-0.4 -47,-0.2 -50,-0.2 -46,-0.1 -0.943 21.9 165.1-116.6 119.0 78.0 37.4 27.6 306 314 A D S S+ 0 0 102 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.514 71.7 2.1-105.3 -9.2 81.2 35.4 28.4 307 315 A S S >> S- 0 0 43 -50,-0.0 4,-1.1 1,-0.0 3,-0.9 -0.904 82.9 -90.5-173.7 154.2 82.3 37.0 31.7 308 316 A E H 3> S+ 0 0 4 1,-0.3 4,-1.6 -2,-0.3 -1,-0.0 0.675 122.9 64.8 -38.9 -29.2 81.1 39.6 34.2 309 317 A K H 3> S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.965 90.7 56.8 -57.2 -68.1 83.2 41.9 32.1 310 318 A D H <> S+ 0 0 44 -3,-0.9 4,-2.5 1,-0.3 -1,-0.2 0.787 108.6 50.9 -37.3 -41.2 81.2 41.7 28.9 311 319 A I H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -1,-0.3 0.987 112.5 44.9 -62.9 -56.0 78.4 42.9 30.9 312 320 A F H ><>S+ 0 0 0 -4,-1.6 3,-0.7 -3,-0.4 5,-0.6 0.943 114.2 49.4 -45.7 -66.4 80.5 45.8 32.3 313 321 A D H ><5S+ 0 0 68 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.789 104.2 59.4 -39.5 -51.6 81.8 46.6 28.9 314 322 A Y H 3<5S+ 0 0 68 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.942 111.8 38.7 -49.6 -55.1 78.4 46.6 27.3 315 323 A I T <<5S- 0 0 0 -4,-1.9 -1,-0.3 -3,-0.7 -2,-0.2 0.415 115.4-123.7 -79.2 6.1 77.3 49.3 29.7 316 324 A Q T < 5 + 0 0 126 -3,-1.9 -3,-0.2 -4,-0.3 2,-0.2 0.930 61.9 136.4 49.3 63.0 80.7 50.8 29.2 317 325 A W < - 0 0 75 -5,-0.6 2,-0.5 -6,-0.0 -1,-0.2 -0.629 61.3 -78.8-124.9 179.9 81.7 50.9 32.9 318 326 A K - 0 0 129 -2,-0.2 2,-0.0 -6,-0.1 -6,-0.0 -0.786 49.4-114.2 -87.9 121.1 84.6 50.1 35.2 319 327 A Y - 0 0 98 -2,-0.5 2,-0.5 1,-0.1 -10,-0.1 -0.358 35.9-152.0 -55.8 127.0 85.0 46.4 36.0 320 328 A R - 0 0 39 -11,-0.0 5,-0.1 5,-0.0 -1,-0.1 -0.920 7.8-130.4-110.3 126.0 84.3 46.2 39.6 321 329 A E > - 0 0 133 -2,-0.5 3,-0.7 1,-0.1 -146,-0.1 -0.292 29.9-111.5 -64.0 157.4 85.8 43.5 41.7 322 330 A P G > S+ 0 0 22 0, 0.0 3,-2.6 0, 0.0 -147,-0.2 0.937 116.2 66.6 -55.5 -46.4 83.4 41.7 43.8 323 331 A K G 3 S+ 0 0 144 1,-0.3 3,-0.2 -149,-0.2 -148,-0.1 0.780 107.1 40.0 -40.9 -44.3 85.0 43.3 46.8 324 332 A D G < S+ 0 0 65 -3,-0.7 3,-0.4 1,-0.2 -1,-0.3 -0.017 81.8 100.9-102.1 27.3 83.9 46.7 45.7 325 333 A R < + 0 0 0 -3,-2.6 -55,-0.4 1,-0.2 -54,-0.2 0.092 46.6 121.4 -92.7 15.5 80.4 45.8 44.5 326 334 A S 0 0 72 -3,-0.2 -57,-0.3 1,-0.2 -59,-0.2 0.677 360.0 360.0 -52.8 -28.8 79.2 47.2 47.7 327 335 A E 0 0 148 -3,-0.4 -54,-0.2 -58,-0.2 -1,-0.2 0.266 360.0 360.0-167.6 360.0 77.0 49.9 46.2