==== 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 9ICQ . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-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) . 17896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.3 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 . 30 9.2 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 . 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 . 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 1 3 1 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 . 1 1 0 2 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 . 1 1 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 0 219 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -9.1 67.2 58.0 57.0 2 10 A T + 0 0 124 37,-0.1 4,-0.1 3,-0.0 37,-0.0 0.151 360.0 78.4-177.3 2.7 67.1 59.1 60.5 3 11 A L S S+ 0 0 63 36,-0.1 42,-0.3 38,-0.1 4,-0.1 0.751 111.5 24.1 -95.8 -24.6 64.8 62.1 60.4 4 12 A N S > S+ 0 0 10 35,-0.1 4,-2.9 40,-0.1 5,-0.3 0.104 88.0 130.9-126.7 24.9 61.8 60.0 60.2 5 13 A G H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.835 70.9 41.2 -40.0 -63.9 63.2 56.9 61.9 6 14 A G H > S+ 0 0 33 1,-0.2 4,-4.2 2,-0.2 5,-0.3 0.971 114.5 53.3 -55.6 -56.1 60.7 56.1 64.5 7 15 A I H > S+ 0 0 7 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.847 112.0 44.3 -46.2 -48.3 57.8 56.8 62.3 8 16 A T H X S+ 0 0 22 -4,-2.9 4,-1.5 1,-0.2 -1,-0.3 0.869 117.0 46.7 -69.1 -37.2 59.1 54.5 59.7 9 17 A D H X S+ 0 0 100 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.952 112.0 46.9 -68.6 -48.6 59.9 51.9 62.2 10 18 A M H X S+ 0 0 5 -4,-4.2 4,-2.3 1,-0.3 -2,-0.2 0.944 111.9 53.0 -55.5 -48.5 56.6 52.0 64.1 11 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.3 0.796 106.9 53.3 -52.6 -38.9 54.8 51.9 60.8 12 20 A T H X S+ 0 0 63 -4,-1.5 4,-3.6 2,-0.2 5,-0.3 0.947 106.3 50.6 -65.7 -48.5 56.9 48.9 60.0 13 21 A E H X S+ 0 0 74 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.895 113.0 49.5 -53.2 -41.1 55.9 47.0 63.2 14 22 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.974 112.9 43.5 -63.1 -55.5 52.3 47.8 62.3 15 23 A A H X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.941 114.9 51.1 -53.9 -52.1 52.6 46.6 58.8 16 24 A N H X S+ 0 0 86 -4,-3.6 4,-2.0 1,-0.3 5,-0.3 0.845 109.4 50.9 -51.9 -42.7 54.4 43.5 59.9 17 25 A F H X>S+ 0 0 36 -4,-2.3 4,-1.8 -5,-0.3 5,-1.0 0.928 105.0 55.2 -65.1 -43.9 51.9 42.8 62.4 18 26 A E H <5S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.955 114.3 38.9 -53.1 -55.9 48.9 43.1 60.0 19 27 A K H <5S+ 0 0 81 -4,-1.9 -1,-0.2 5,-0.2 -2,-0.2 0.936 121.1 41.5 -60.9 -55.4 50.3 40.5 57.6 20 28 A N H <5S+ 0 0 22 -4,-2.0 84,-0.2 -5,-0.2 -3,-0.2 0.931 129.7 19.5 -58.0 -60.8 51.8 38.0 60.2 21 29 A V T <5S+ 0 0 30 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.971 131.7 29.5 -78.3 -75.2 49.1 37.9 62.9 22 30 A S S + 0 0 26 1,-0.2 4,-5.1 -6,-0.1 5,-0.4 0.175 10.9 160.9 -21.7 61.3 45.4 42.4 56.7 25 33 A I H > S+ 0 0 94 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.913 78.8 48.4 -59.3 -40.9 47.3 42.3 53.5 26 34 A H H > S+ 0 0 153 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.966 116.6 41.7 -63.3 -46.9 45.7 45.5 52.5 27 35 A K H > S+ 0 0 116 2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.940 116.2 48.7 -61.8 -50.5 46.5 47.1 55.8 28 36 A Y H X S+ 0 0 35 -4,-5.1 4,-1.6 1,-0.3 -1,-0.2 0.951 112.8 47.9 -54.3 -50.7 49.8 45.6 55.9 29 37 A N H X S+ 0 0 77 -4,-3.1 4,-1.5 -5,-0.4 5,-0.3 0.886 107.2 59.2 -57.5 -37.9 50.4 46.8 52.4 30 38 A A H X S+ 0 0 28 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.975 102.5 50.6 -57.5 -54.4 49.0 50.2 53.6 31 39 A Y H X S+ 0 0 12 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.818 106.8 61.5 -53.4 -31.6 51.7 50.6 56.3 32 40 A R H X S+ 0 0 149 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.930 103.9 38.0 -62.8 -56.4 54.3 49.8 53.7 33 41 A K H X S+ 0 0 87 -4,-1.5 4,-3.2 -3,-0.2 5,-0.3 0.939 115.1 63.2 -61.5 -39.4 54.0 52.5 51.1 34 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 5,-0.3 0.932 105.5 39.2 -50.0 -61.4 53.4 54.7 54.0 35 43 A A H X S+ 0 0 8 -4,-3.0 4,-1.8 1,-0.2 -1,-0.3 0.873 113.9 59.2 -61.6 -29.6 56.8 54.1 55.6 36 44 A S H X S+ 0 0 60 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.977 106.8 43.0 -61.5 -52.5 58.3 54.3 52.2 37 45 A V H X S+ 0 0 28 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.890 116.6 46.7 -60.5 -39.8 57.1 57.7 51.4 38 46 A I H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.798 107.1 61.4 -70.0 -26.0 57.9 59.1 54.8 39 47 A A H < S+ 0 0 49 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.851 109.4 39.4 -65.6 -38.2 61.2 57.4 54.3 40 48 A K H < S+ 0 0 180 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.898 90.0 119.2 -78.1 -39.6 61.9 59.5 51.3 41 49 A Y < - 0 0 42 -4,-2.5 4,-0.1 -5,-0.2 -38,-0.1 -0.022 58.5-145.9 -40.9 114.6 60.4 62.6 52.9 42 50 A P + 0 0 81 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.428 67.1 52.4 -57.7 -20.5 63.1 65.3 53.2 43 51 A H S S- 0 0 113 -5,-0.1 2,-0.7 -39,-0.0 -40,-0.0 -0.395 89.9 -82.6-117.7-160.7 62.0 67.0 56.4 44 52 A K - 0 0 123 -2,-0.1 2,-0.8 -40,-0.0 -40,-0.1 -0.875 41.3-130.8-101.4 113.8 61.2 66.4 60.0 45 53 A I + 0 0 5 -2,-0.7 3,-0.1 -42,-0.3 -38,-0.1 -0.472 29.7 176.6 -67.5 111.0 57.6 65.3 60.5 46 54 A K + 0 0 154 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.438 59.1 3.6 -96.0 2.7 56.4 67.6 63.1 47 55 A S > - 0 0 40 1,-0.2 4,-1.5 -3,-0.0 -1,-0.2 -0.958 69.1-103.6-178.3 159.9 52.8 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 3,-1.6 0.966 116.4 52.6 -53.0 -62.9 50.2 64.1 61.9 49 57 A A H 3> S+ 0 0 66 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.833 105.3 57.1 -42.7 -41.3 48.6 66.6 59.6 50 58 A E H 34 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.880 110.4 44.7 -57.7 -41.7 51.9 67.3 58.0 51 59 A A H X< S+ 0 0 0 -3,-1.6 3,-4.0 -4,-1.5 -2,-0.2 0.918 100.4 64.5 -68.2 -50.1 52.2 63.7 57.2 52 60 A K H 3< S+ 0 0 92 -4,-2.2 5,-0.3 1,-0.3 -1,-0.2 0.823 88.8 73.7 -41.8 -40.0 48.7 63.2 55.9 53 61 A K T 3< S+ 0 0 164 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.583 84.5 85.9 -53.3 -15.8 49.8 65.6 53.2 54 62 A L S X S- 0 0 32 -3,-4.0 3,-1.1 1,-0.1 2,-0.2 -0.557 91.4-102.9 -89.1 160.3 51.8 62.8 51.9 55 63 A P T 3 S+ 0 0 99 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.533 108.6 28.7 -79.6 147.0 50.4 60.2 49.5 56 64 A G T 3 S+ 0 0 28 -2,-0.2 2,-0.8 1,-0.2 -22,-0.2 0.470 98.6 113.6 82.4 -2.2 49.7 56.8 51.1 57 65 A V < + 0 0 9 -3,-1.1 -1,-0.2 -5,-0.3 2,-0.1 -0.818 41.1 165.1-111.8 103.2 49.0 58.8 54.2 58 66 A G > - 0 0 30 -2,-0.8 4,-2.1 -3,-0.1 5,-0.1 -0.210 52.5 -82.1 -97.1-168.9 45.5 58.7 55.3 59 67 A T H > S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.900 121.6 55.4 -61.7 -49.9 43.7 59.6 58.5 60 68 A K H > S+ 0 0 136 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.882 112.2 42.1 -58.2 -39.4 44.4 56.3 60.3 61 69 A I H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.918 112.7 52.5 -73.6 -40.9 48.1 56.6 59.9 62 70 A A H X S+ 0 0 7 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.933 104.1 58.8 -56.7 -43.9 48.2 60.2 60.7 63 71 A E H X S+ 0 0 125 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.874 110.1 43.5 -48.2 -45.9 46.2 59.4 63.9 64 72 A K H X S+ 0 0 33 -4,-1.2 4,-2.2 -3,-0.3 5,-0.3 0.878 106.6 57.4 -69.7 -47.1 49.0 57.2 64.9 65 73 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.894 105.2 56.4 -57.0 -35.7 51.8 59.5 63.9 66 74 A D H X S+ 0 0 72 -4,-2.7 4,-4.6 -5,-0.2 -2,-0.2 0.983 108.8 41.3 -57.6 -63.7 50.3 61.9 66.3 67 75 A E H X S+ 0 0 67 -4,-1.4 4,-2.0 2,-0.2 6,-0.5 0.760 115.6 51.9 -55.6 -32.4 50.3 59.8 69.5 68 76 A F H < S+ 0 0 53 -4,-2.2 -1,-0.2 2,-0.2 5,-0.2 0.972 116.2 38.3 -74.1 -48.2 53.6 58.5 68.7 69 77 A L H < S+ 0 0 59 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.928 117.1 52.4 -64.0 -40.0 55.0 61.9 68.3 70 78 A A H < S+ 0 0 87 -4,-4.6 2,-0.3 -5,-0.3 -1,-0.2 0.887 127.7 13.1 -63.6 -33.4 52.9 63.2 71.1 71 79 A T S < S- 0 0 66 -4,-2.0 2,-1.3 2,-0.4 -1,-0.2 -0.996 84.8-107.7-140.9 139.2 54.3 60.3 73.5 72 80 A G S S+ 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.411 97.1 50.2 -51.9 14.1 57.2 57.9 73.1 73 81 A K - 0 0 79 -2,-1.3 -2,-0.4 -6,-0.5 2,-0.3 -0.898 66.0-137.1-148.4 179.5 54.7 55.2 72.5 74 82 A L > - 0 0 2 -2,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.994 17.1-144.5-138.1 123.6 51.7 53.8 70.7 75 83 A R H > S+ 0 0 175 -2,-0.3 4,-4.4 1,-0.2 5,-0.2 0.939 103.3 52.2 -54.6 -48.9 49.0 51.9 72.6 76 84 A K H > S+ 0 0 73 2,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.885 111.8 44.2 -54.3 -45.2 48.5 49.6 69.7 77 85 A L H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 115.9 50.6 -66.7 -44.4 52.1 48.8 69.5 78 86 A E H < S+ 0 0 77 -4,-3.5 4,-0.5 1,-0.2 -2,-0.3 0.935 110.3 46.8 -57.6 -45.1 52.0 48.4 73.3 79 87 A K H X S+ 0 0 134 -4,-4.4 4,-1.8 1,-0.2 3,-0.5 0.909 115.4 47.4 -61.9 -42.3 49.1 46.1 73.3 80 88 A I H < S+ 0 0 22 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.835 103.7 58.4 -66.5 -43.0 50.6 43.9 70.4 81 89 A R T < S+ 0 0 131 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.606 114.4 43.0 -66.7 -13.0 54.2 43.5 71.9 82 90 A Q T 4 S+ 0 0 138 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.1 0.923 84.9 98.3 -91.9 -68.2 52.5 42.0 74.9 83 91 A D X - 0 0 69 -4,-1.8 4,-2.0 1,-0.1 3,-0.4 0.091 62.6-146.8 -30.8 113.1 49.8 39.7 73.6 84 92 A D H > S+ 0 0 97 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.879 93.7 60.0 -57.1 -44.3 51.1 36.2 73.7 85 93 A T H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 108.0 46.5 -53.0 -40.6 49.2 35.1 70.6 86 94 A S H >> S+ 0 0 6 -3,-0.4 4,-1.7 1,-0.2 3,-0.6 0.986 113.0 50.0 -62.6 -51.6 51.0 37.7 68.5 87 95 A S H 3X S+ 0 0 46 -4,-2.0 4,-1.0 -7,-0.3 -2,-0.2 0.828 106.0 55.3 -53.4 -41.7 54.3 36.8 70.0 88 96 A S H 3X S+ 0 0 16 -4,-3.0 4,-3.1 1,-0.2 3,-0.4 0.901 104.2 53.4 -63.6 -37.4 53.9 33.2 69.4 89 97 A I H < S+ 0 0 62 -4,-1.0 3,-2.1 -3,-0.4 4,-0.3 0.868 107.4 52.8 -92.7 -47.6 58.4 33.0 67.1 92 100 A L H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 6,-0.2 0.894 101.6 66.1 -54.8 -37.5 57.0 29.9 65.4 93 101 A T T 3< S+ 0 0 41 -4,-1.5 -1,-0.3 1,-0.3 4,-0.2 0.648 83.6 74.9 -57.8 -20.6 57.9 31.6 62.2 94 102 A R T < S+ 0 0 109 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.683 76.3 91.8 -70.1 -19.0 61.6 31.4 63.1 95 103 A V S X S- 0 0 2 -3,-2.0 3,-1.8 -4,-0.3 2,-0.6 -0.586 91.3-112.9 -77.7 138.1 61.6 27.7 62.3 96 104 A S T 3 S+ 0 0 40 -2,-0.3 35,-0.4 1,-0.3 36,-0.2 -0.631 106.0 30.3 -73.9 118.2 62.5 27.1 58.7 97 105 A G T 3 S+ 0 0 30 -2,-0.6 2,-0.6 1,-0.3 -1,-0.3 0.058 95.5 100.4 123.0 -23.1 59.4 25.7 57.2 98 106 A I < + 0 0 8 -3,-1.8 -1,-0.3 -6,-0.2 -3,-0.0 -0.890 46.1 174.4-101.8 123.0 56.9 27.6 59.3 99 107 A G > - 0 0 30 -2,-0.6 4,-2.1 -3,-0.1 5,-0.1 -0.336 51.3 -81.5-107.7-170.2 55.3 30.7 57.7 100 108 A P H > S+ 0 0 42 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.931 125.5 56.2 -62.3 -46.9 52.6 32.8 59.0 101 109 A S H > S+ 0 0 90 1,-0.3 4,-1.7 2,-0.2 3,-0.1 0.938 112.4 39.7 -46.4 -66.4 49.9 30.6 57.9 102 110 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.761 109.0 62.3 -55.4 -36.6 51.2 27.6 59.7 103 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.979 106.1 48.0 -57.6 -49.9 52.2 29.7 62.7 104 112 A R H X S+ 0 0 49 -4,-3.3 4,-2.1 2,-0.2 -2,-0.2 0.908 110.6 49.7 -55.6 -45.7 48.5 30.5 63.0 105 113 A K H < S+ 0 0 99 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.988 111.9 48.6 -56.9 -58.1 47.4 26.9 62.7 106 114 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.3 3,-1.5 0.849 112.3 47.0 -48.9 -44.9 49.9 25.7 65.3 107 115 A V H ><5S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.3 -1,-0.3 0.894 103.6 60.9 -69.7 -36.2 49.0 28.4 67.9 108 116 A D T 3<5S+ 0 0 124 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.333 108.5 45.5 -74.9 16.8 45.5 27.8 67.4 109 117 A E T < 5S- 0 0 108 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.233 127.7 -97.2-131.1 -3.9 46.1 24.3 68.6 110 118 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.8 1,-0.3 -3,-0.2 0.267 80.3 133.7 103.5 -11.6 48.3 25.4 71.5 111 119 A I < + 0 0 6 -5,-2.8 -1,-0.3 1,-0.2 -2,-0.2 -0.702 14.6 139.1 -78.9 115.5 51.7 25.0 69.9 112 120 A K + 0 0 63 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.288 55.9 43.9-133.1 -11.2 53.5 28.1 70.8 113 121 A T S > S- 0 0 57 -3,-0.2 4,-3.3 1,-0.1 5,-0.1 -0.831 84.7 -97.8-137.2 178.0 56.8 26.9 71.6 114 122 A L H > S+ 0 0 34 -2,-0.3 4,-3.2 2,-0.2 5,-0.1 0.943 123.6 46.0 -56.5 -53.5 59.7 24.7 70.7 115 123 A E H > S+ 0 0 126 2,-0.3 4,-3.9 1,-0.2 5,-0.4 0.931 109.0 57.7 -55.0 -46.0 58.7 22.0 73.1 116 124 A D H > S+ 0 0 44 1,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.932 109.7 45.5 -46.3 -54.1 55.3 22.4 71.7 117 125 A L H >< S+ 0 0 1 -4,-3.3 3,-1.0 1,-0.2 -1,-0.3 0.934 111.1 50.4 -58.5 -52.0 56.7 21.7 68.4 118 126 A R H >< S+ 0 0 129 -4,-3.2 3,-1.5 1,-0.3 -2,-0.2 0.912 107.7 53.6 -54.1 -47.3 58.8 18.8 69.6 119 127 A K H 3< S+ 0 0 158 -4,-3.9 -1,-0.3 1,-0.3 3,-0.2 0.730 116.6 41.1 -59.3 -23.4 55.9 17.1 71.3 120 128 A N T XX + 0 0 42 -4,-1.2 4,-1.0 -3,-1.0 3,-0.8 -0.202 64.8 138.3-122.0 46.4 54.0 17.3 68.1 121 129 A E T <4 + 0 0 94 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.708 68.2 72.4 -61.2 -14.3 56.6 16.4 65.6 122 130 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.965 93.4 50.1 -66.1 -48.4 53.9 14.5 64.0 123 131 A K T <4 S+ 0 0 101 -3,-0.8 -1,-0.2 -6,-0.1 -2,-0.2 0.754 97.0 84.8 -62.4 -25.4 52.1 17.6 62.8 124 132 A L S < S- 0 0 4 -4,-1.0 2,-0.2 -7,-0.2 -26,-0.0 -0.497 74.8-130.8 -81.0 156.1 55.1 19.1 61.2 125 133 A N > - 0 0 81 -2,-0.1 4,-2.5 -28,-0.1 5,-0.2 -0.525 35.4 -88.6 -97.1 165.5 56.3 18.2 57.7 126 134 A H H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.840 125.9 45.4 -41.0 -52.6 59.8 17.1 56.6 127 135 A H H > S+ 0 0 42 1,-0.3 4,-3.1 2,-0.2 3,-0.3 0.988 116.8 46.6 -58.7 -55.2 61.1 20.6 55.9 128 136 A Q H > S+ 0 0 14 1,-0.3 4,-2.3 -31,-0.2 -1,-0.3 0.757 109.9 55.7 -56.4 -27.3 59.7 21.8 59.1 129 137 A R H X S+ 0 0 98 -4,-2.5 4,-2.3 2,-0.2 -1,-0.3 0.944 108.7 44.4 -72.9 -41.9 61.1 18.8 60.8 130 138 A I H X S+ 0 0 7 -4,-2.5 4,-2.7 -3,-0.3 -2,-0.2 0.972 111.5 55.9 -61.2 -49.4 64.5 19.6 59.7 131 139 A G H < S+ 0 0 1 -4,-3.1 -1,-0.2 -35,-0.4 -2,-0.2 0.884 108.5 46.5 -47.7 -49.4 63.9 23.2 60.6 132 140 A L H >< S+ 0 0 12 -4,-2.3 3,-1.1 1,-0.2 -1,-0.3 0.918 110.4 52.8 -65.5 -38.0 63.1 22.2 64.1 133 141 A K H 3< S+ 0 0 131 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.919 119.0 34.7 -62.4 -44.8 66.0 19.9 64.5 134 142 A Y T 3X S+ 0 0 18 -4,-2.7 4,-3.3 1,-0.2 -1,-0.3 0.060 76.8 126.2 -99.7 27.1 68.5 22.5 63.4 135 143 A F H <> S+ 0 0 20 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.901 79.1 44.3 -48.9 -49.6 66.8 25.6 65.0 136 144 A G H >> S+ 0 0 46 -3,-0.3 3,-2.3 -4,-0.2 4,-0.8 0.981 116.2 43.1 -57.1 -69.8 69.9 26.6 66.8 137 145 A D H >4 S+ 0 0 29 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.837 107.9 65.8 -45.4 -41.0 72.4 26.0 64.0 138 146 A F H 3< S+ 0 0 44 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.818 102.3 42.9 -55.1 -34.6 70.0 27.7 61.7 139 147 A E H << S+ 0 0 101 -3,-2.3 2,-0.3 -4,-1.1 -1,-0.3 0.593 92.4 102.9 -87.2 -12.4 70.2 31.0 63.4 140 148 A K S << S- 0 0 106 -3,-1.0 -4,-0.0 -4,-0.8 -3,-0.0 -0.535 73.2-126.8 -71.5 127.8 74.0 30.8 63.7 141 149 A R - 0 0 144 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.248 20.3-115.0 -71.1 169.3 75.8 32.9 61.1 142 150 A I E -A 180 0A 1 38,-4.6 38,-4.1 40,-0.0 2,-0.2 -0.945 24.1-140.6-110.9 113.8 78.5 31.4 58.9 143 151 A P E >> -A 179 0A 37 0, 0.0 3,-3.4 0, 0.0 4,-1.8 -0.530 18.5-122.9 -72.9 134.4 82.0 32.7 59.4 144 152 A R H 3> S+ 0 0 70 34,-3.8 4,-2.4 1,-0.3 5,-0.2 0.743 109.7 69.0 -47.0 -29.1 84.1 33.2 56.2 145 153 A E H 34 S+ 0 0 124 33,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.729 108.7 35.1 -62.3 -25.3 86.6 30.9 57.7 146 154 A E H <> S+ 0 0 24 -3,-3.4 4,-3.2 2,-0.2 -2,-0.2 0.787 109.9 64.2 -92.0 -39.5 84.2 28.0 57.3 147 155 A M H X S+ 0 0 1 -4,-1.8 4,-3.6 1,-0.3 5,-0.2 0.894 102.9 49.2 -44.6 -54.9 82.8 29.4 54.1 148 156 A L H X S+ 0 0 76 -4,-2.4 4,-2.3 2,-0.2 -1,-0.3 0.842 110.8 49.4 -56.7 -44.5 86.2 28.9 52.4 149 157 A Q H > S+ 0 0 56 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.928 114.6 45.5 -63.3 -43.9 86.4 25.3 53.7 150 158 A M H X S+ 0 0 2 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.948 111.9 50.5 -57.5 -55.4 82.9 24.6 52.4 151 159 A Q H X S+ 0 0 56 -4,-3.6 4,-2.7 1,-0.3 5,-0.3 0.908 108.6 54.8 -50.0 -44.9 83.7 26.3 49.1 152 160 A D H X S+ 0 0 87 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.3 0.892 109.9 45.8 -59.9 -41.1 86.7 24.2 48.9 153 161 A I H X S+ 0 0 40 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.981 112.9 47.1 -69.9 -49.6 84.8 21.1 49.3 154 162 A V H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.942 112.1 49.4 -57.4 -50.2 82.0 21.8 46.9 155 163 A L H X S+ 0 0 56 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.882 109.8 52.5 -60.2 -37.5 84.3 23.0 44.1 156 164 A N H X S+ 0 0 82 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.938 111.7 43.2 -67.1 -44.0 86.5 20.0 44.4 157 165 A E H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.901 111.6 53.5 -69.1 -37.5 83.7 17.4 44.2 158 166 A V H X S+ 0 0 8 -4,-2.4 4,-1.6 -5,-0.2 7,-0.3 0.938 107.4 53.4 -60.2 -42.7 81.9 19.2 41.3 159 167 A K H < S+ 0 0 137 -4,-1.8 3,-0.4 -5,-0.3 -1,-0.2 0.932 107.3 51.7 -55.2 -50.0 85.2 19.1 39.4 160 168 A K H < S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.854 106.2 51.4 -57.1 -41.7 85.5 15.4 39.9 161 169 A V H < S- 0 0 48 -4,-1.9 2,-0.2 1,-0.3 -1,-0.2 0.819 135.0 -9.5 -67.8 -29.7 82.1 14.6 38.6 162 170 A D >< - 0 0 52 -4,-1.6 3,-1.6 -3,-0.4 -1,-0.3 -0.761 52.3-147.3-172.9 123.7 82.7 16.6 35.5 163 171 A S T 3 S+ 0 0 84 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.634 99.1 66.0 -65.5 -20.3 85.5 19.0 34.5 164 172 A E T 3 S+ 0 0 105 -6,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.442 74.9 107.7 -81.5 -7.2 83.0 20.9 32.6 165 173 A Y < - 0 0 18 -3,-1.6 2,-0.5 -7,-0.3 24,-0.2 -0.454 54.4-155.2 -73.4 153.9 80.9 22.0 35.5 166 174 A I E -B 188 0B 53 22,-2.0 22,-1.5 -2,-0.1 2,-0.4 -0.976 15.2-177.6-130.4 112.3 81.2 25.6 36.4 167 175 A A E -B 187 0B 23 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.894 5.1-178.4-116.0 146.8 80.4 26.4 40.0 168 176 A T E -B 186 0B 30 18,-1.7 18,-3.3 -2,-0.4 2,-0.9 -0.988 20.8-143.8-145.7 131.6 80.2 29.8 41.7 169 177 A V E +B 185 0B 9 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.840 29.5 178.1 -99.5 106.4 79.5 30.8 45.3 170 178 A C + 0 0 1 14,-1.9 14,-0.4 -2,-0.9 3,-0.4 0.113 30.8 85.0 -86.6-156.7 77.6 34.0 45.2 171 179 A G S >> S- 0 0 15 93,-0.6 3,-1.5 1,-0.2 4,-0.6 -0.266 104.0 -53.8 88.5 177.9 76.3 35.9 48.1 172 180 A S H 3> S+ 0 0 22 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.689 131.5 74.7 -66.7 -19.2 78.1 38.3 50.2 173 181 A F H 34 S+ 0 0 12 -3,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.872 99.6 45.2 -54.4 -36.9 80.6 35.6 50.6 174 182 A R H <4 S+ 0 0 51 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.656 110.6 54.9 -74.5 -30.3 81.5 36.6 47.1 175 183 A R H < S- 0 0 65 -4,-0.6 2,-0.6 148,-0.1 -2,-0.2 0.331 124.7 -94.9 -90.5 3.1 81.4 40.3 48.1 176 184 A G < + 0 0 31 -4,-0.6 147,-0.1 -3,-0.5 148,-0.1 -0.739 65.0 163.1 120.8 -79.9 83.9 40.0 50.9 177 185 A A - 0 0 33 -2,-0.6 -1,-0.2 146,-0.1 3,-0.0 0.798 39.5-136.6 26.9 121.5 81.6 39.6 53.9 178 186 A E S S+ 0 0 146 -35,-0.1 -34,-3.8 1,-0.1 -33,-0.4 0.724 85.4 4.8 -71.0 -23.7 83.1 38.2 57.1 179 187 A S E S-A 143 0A 38 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.958 71.4-158.1-152.1 165.7 80.3 35.9 57.8 180 188 A S E -A 142 0A 4 -38,-4.1 -38,-4.6 -2,-0.3 3,-0.1 -0.952 24.5-126.5-149.9 167.9 77.2 34.8 56.0 181 189 A G S S- 0 0 34 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.844 84.4 -5.0 -80.4 -44.5 73.8 33.4 56.4 182 190 A D S S- 0 0 71 63,-0.1 2,-0.7 -40,-0.1 -1,-0.2 -0.978 70.5-100.8-150.2 160.3 73.8 30.4 53.9 183 191 A M E - c 0 247B 0 63,-2.7 65,-2.6 -2,-0.3 2,-0.7 -0.775 36.3-168.3 -90.4 117.0 75.9 28.9 51.2 184 192 A D E - c 0 248B 30 -2,-0.7 -14,-1.9 -14,-0.4 2,-0.5 -0.858 4.7-174.5-107.4 100.5 74.6 29.9 47.7 185 193 A V E -Bc 169 249B 3 63,-3.3 65,-1.5 -2,-0.7 2,-0.5 -0.819 11.0-158.5-104.2 129.8 76.0 28.0 44.8 186 194 A L E -Bc 168 250B 1 -18,-3.3 -18,-1.7 -2,-0.5 2,-0.4 -0.834 20.3-171.9 -98.5 129.3 75.2 28.9 41.0 187 195 A L E +Bc 167 251B 2 63,-3.4 65,-1.1 -2,-0.5 2,-0.3 -0.962 16.0 152.1-133.0 147.6 75.8 26.1 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.5 -22,-2.0 -2,-0.4 5,-0.1 -0.918 19.6-156.1-154.3 173.8 75.9 25.4 34.9 189 197 A H E > - c 0 253B 15 63,-0.6 3,-1.1 3,-0.3 65,-0.8 -0.920 31.6-115.0-153.7 156.1 77.4 23.2 32.4 190 198 A P T 3 S+ 0 0 60 0, 0.0 65,-0.1 0, 0.0 64,-0.1 0.820 113.0 61.9 -67.2 -36.4 78.1 23.8 28.8 191 199 A S T 3 S+ 0 0 60 1,-0.1 2,-0.5 -27,-0.1 11,-0.1 0.227 94.7 77.9 -76.4 18.4 75.7 21.1 27.8 192 200 A F < + 0 0 12 -3,-1.1 62,-3.4 60,-0.1 63,-0.4 -0.903 61.7 142.3-136.4 114.0 72.8 23.0 29.4 193 201 A T - 0 0 33 -2,-0.5 5,-0.1 60,-0.3 -5,-0.0 -0.990 59.3 -76.4-161.1 163.3 71.1 25.9 28.0 194 202 A S S S+ 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.481 128.3 16.3 -6.5 -54.5 68.3 28.2 27.1 195 203 A E S S+ 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.899 94.8 109.3 -94.2 -55.7 67.0 26.0 24.4 196 204 A S S S- 0 0 39 1,-0.2 2,-0.5 3,-0.0 -3,-0.2 0.088 79.2-119.8 -29.9 100.4 68.8 22.7 25.2 197 205 A T - 0 0 132 -5,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.410 55.3 -64.0 -62.1 112.3 65.9 20.7 26.3 198 206 A K - 0 0 96 -2,-0.5 -5,-0.1 -3,-0.1 -1,-0.0 0.710 35.6-168.5 30.0 172.0 66.7 19.7 29.8 199 207 A Q + 0 0 78 25,-0.2 4,-0.2 -7,-0.1 -1,-0.1 -0.309 9.8 173.2 170.0 90.9 69.2 17.6 31.6 200 208 A P S >> S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 3,-2.0 0.779 77.7 67.0 -79.6 -32.2 68.3 17.0 35.3 201 209 A K H 3> S+ 0 0 118 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.861 86.4 76.2 -56.1 -31.9 71.1 14.6 36.0 202 210 A L H 34 S+ 0 0 3 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.810 110.1 23.4 -45.1 -41.2 73.1 17.7 35.4 203 211 A L H <> S+ 0 0 0 -3,-2.0 4,-2.0 21,-0.2 -1,-0.2 0.805 119.2 59.4 -94.8 -40.5 72.1 18.8 38.9 204 212 A H H X S+ 0 0 41 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.784 98.1 60.9 -61.8 -32.5 71.3 15.4 40.5 205 213 A Q H X S+ 0 0 71 -4,-3.4 4,-1.9 -5,-0.2 -1,-0.2 0.944 108.1 40.9 -62.8 -49.2 74.7 14.1 40.0 206 214 A V H > S+ 0 0 3 -5,-0.4 4,-2.6 -4,-0.4 5,-0.3 0.925 107.9 61.3 -65.8 -41.6 76.5 16.6 42.0 207 215 A V H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.871 107.1 47.9 -50.4 -38.3 73.8 16.6 44.6 208 216 A E H X S+ 0 0 112 -4,-1.5 4,-3.5 2,-0.2 -1,-0.2 0.899 106.7 54.4 -66.6 -49.3 74.6 13.0 45.1 209 217 A Q H X S+ 0 0 29 -4,-1.9 4,-2.7 2,-0.2 6,-0.3 0.953 106.5 52.5 -53.5 -50.2 78.4 13.4 45.3 210 218 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.3 6,-1.2 0.934 115.7 39.7 -55.2 -46.0 78.1 16.0 48.0 211 219 A Q H ><5S+ 0 0 68 -4,-1.6 3,-1.5 -5,-0.3 -1,-0.3 0.855 106.8 68.4 -70.8 -32.0 76.0 13.6 50.1 212 220 A K H 3<5S+ 0 0 139 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.929 110.5 32.5 -48.7 -53.7 78.2 10.9 48.9 213 221 A V T 3<5S- 0 0 53 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.250 119.1-110.0 -88.3 8.9 80.9 12.3 50.9 214 222 A H T < 5S+ 0 0 142 -3,-1.5 -3,-0.2 -5,-0.2 18,-0.2 0.632 84.9 119.5 76.0 13.5 78.6 13.7 53.6 215 223 A F S -c 189 0B 17 0, 0.0 3,-2.4 0, 0.0 -60,-0.3 -0.491 32.8-126.0 -64.4 133.8 71.8 27.3 31.3 254 262 A K G > S+ 0 0 65 -62,-3.4 3,-1.3 -65,-0.8 4,-0.3 0.818 105.9 71.8 -51.1 -34.5 75.3 28.2 30.5 255 263 A D G 3 S+ 0 0 69 -63,-0.4 -1,-0.3 1,-0.2 50,-0.3 0.486 109.7 30.0 -64.4 0.7 73.8 30.9 28.2 256 264 A Q G <> S+ 0 0 31 -3,-2.4 4,-1.2 33,-0.1 -1,-0.2 0.320 82.8 112.7-145.9 19.1 72.8 32.9 31.2 257 265 A Y H X> S+ 0 0 2 -3,-1.3 4,-3.7 -4,-0.2 3,-1.4 0.986 77.2 47.6 -53.6 -76.6 75.2 32.2 34.0 258 266 A Y H 3> S+ 0 0 39 -4,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.704 110.0 51.3 -43.2 -35.0 76.9 35.5 34.4 259 267 A C H 3> S+ 0 0 9 29,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.860 118.4 41.8 -70.9 -33.0 73.7 37.6 34.5 260 268 A G H < S+ 0 0 7 -4,-2.2 3,-1.4 -5,-0.4 4,-0.5 0.992 112.0 49.5 -68.5 -61.2 76.1 38.8 38.6 263 271 A Y H >< S+ 0 0 66 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.832 110.1 47.9 -40.4 -59.2 72.7 39.2 39.9 264 272 A F H 3< S+ 0 0 72 -4,-3.2 -93,-0.6 1,-0.3 -1,-0.3 0.715 101.1 67.7 -61.2 -23.8 73.0 36.8 42.9 265 273 A T T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.602 92.1 141.2 -71.1 -14.5 76.2 38.5 43.9 266 274 A G < - 0 0 4 -3,-1.8 2,-0.2 -4,-0.5 -1,-0.1 0.035 61.9-159.8 49.2-157.0 74.3 41.6 44.7 267 275 A S >> - 0 0 12 59,-0.2 4,-2.8 -3,-0.1 3,-0.5 0.666 33.7-134.3 -82.7 163.8 74.0 43.9 46.6 268 276 A D H 3> S+ 0 0 116 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.843 110.5 49.6 -39.6 -48.0 70.4 44.8 45.9 269 277 A I H 3> S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.858 109.5 48.8 -62.4 -44.3 71.7 48.4 45.8 270 278 A F H <> S+ 0 0 0 56,-0.6 4,-1.9 -3,-0.5 -1,-0.3 0.837 112.0 52.2 -69.7 -28.4 74.5 47.6 43.4 271 279 A N H X S+ 0 0 11 -4,-2.8 4,-4.1 2,-0.2 -2,-0.2 0.988 109.6 46.3 -67.1 -55.4 72.0 45.8 41.3 272 280 A K H X S+ 0 0 136 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.932 113.7 47.7 -48.6 -59.5 69.7 48.6 41.1 273 281 A N H X S+ 0 0 99 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.918 115.3 45.6 -51.4 -48.5 72.4 51.2 40.3 274 282 A M H X S+ 0 0 3 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.3 0.937 112.2 52.8 -60.6 -44.5 73.9 49.0 37.7 275 283 A R H X S+ 0 0 79 -4,-4.1 4,-1.4 -5,-0.2 -2,-0.2 0.885 109.2 48.4 -58.6 -41.0 70.4 48.4 36.4 276 284 A A H X S+ 0 0 55 -4,-3.0 4,-1.5 2,-0.2 3,-0.4 0.939 112.3 47.0 -65.8 -47.1 69.6 52.0 36.1 277 285 A H H X S+ 0 0 38 -4,-2.6 4,-3.0 1,-0.2 3,-0.3 0.904 105.8 60.9 -58.5 -41.3 72.8 52.9 34.3 278 286 A A H <>S+ 0 0 0 -4,-2.8 5,-1.4 1,-0.3 -1,-0.2 0.861 105.2 50.6 -47.3 -44.5 72.2 49.8 32.0 279 287 A L H ><5S+ 0 0 68 -4,-1.4 3,-1.1 -3,-0.4 -1,-0.3 0.795 108.0 50.1 -63.8 -41.0 69.0 51.7 31.1 280 288 A E H 3<5S+ 0 0 137 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.968 105.1 55.9 -66.5 -50.8 70.8 54.9 30.4 281 289 A K T 3<5S- 0 0 84 -4,-3.0 -1,-0.3 1,-0.1 -2,-0.2 0.295 133.0 -93.3 -64.6 11.9 73.4 53.2 28.2 282 290 A G T < 5S+ 0 0 32 -3,-1.1 11,-2.9 1,-0.2 2,-0.3 0.881 86.0 120.6 75.6 46.0 70.3 51.9 26.2 283 291 A F E < -F 292 0C 27 -5,-1.4 2,-0.4 9,-0.2 -1,-0.2 -0.905 52.4-140.1-142.3 168.9 69.8 48.5 28.0 284 292 A T E -F 291 0C 30 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.963 18.3-175.3-130.0 131.5 68.0 46.1 30.0 285 293 A I E +F 290 0C 23 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.969 13.1 143.9-133.2 148.1 69.0 43.8 32.8 286 294 A N E > -F 289 0C 38 3,-1.3 3,-1.3 -2,-0.4 -23,-0.1 -0.925 65.8 -63.3-167.0 160.9 67.5 41.0 34.9 287 295 A E T 3 S+ 0 0 69 -2,-0.3 -24,-0.3 1,-0.3 -25,-0.2 0.526 127.7 25.1 -14.1 -51.4 68.3 37.8 36.5 288 296 A Y T 3 S+ 0 0 124 1,-0.1 -29,-0.3 -29,-0.1 2,-0.3 0.649 118.4 2.8-100.4 -26.7 69.1 36.0 33.2 289 297 A T E < -F 286 0C 19 -3,-1.3 -3,-1.3 -30,-0.2 2,-0.4 -0.972 50.7-122.1-156.9 175.7 70.1 38.4 30.4 290 298 A I E -FG 285 303C 0 13,-0.6 13,-2.7 -2,-0.3 -5,-0.2 -0.981 30.6-163.2-126.9 129.8 70.9 41.8 29.1 291 299 A R E -F 284 0C 83 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.934 22.7-117.6-128.5 146.6 69.0 43.4 26.2 292 300 A P E -F 283 0C 43 0, 0.0 2,-0.8 0, 0.0 -9,-0.2 -0.485 37.5-126.1 -68.0 125.2 69.5 46.2 23.8 293 301 A L - 0 0 55 -11,-2.9 7,-0.1 -2,-0.3 5,-0.1 -0.680 17.7-149.3 -89.4 114.6 66.7 48.8 24.3 294 302 A G - 0 0 30 -2,-0.8 3,-0.3 1,-0.1 5,-0.1 -0.204 17.3-127.2 -65.7 166.0 64.7 49.6 21.2 295 303 A V S S+ 0 0 144 1,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.713 90.6 89.0 -91.5 -19.2 63.3 53.1 21.0 296 304 A T S S- 0 0 132 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.491 127.0 -76.5 -53.9 -5.1 59.7 52.3 20.3 297 305 A G S S- 0 0 53 -3,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.442 106.2 -6.3 134.6 -50.5 59.3 52.2 24.0 298 306 A V + 0 0 106 -5,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.934 59.2 164.7-157.8 176.9 61.0 48.9 24.4 299 307 A A - 0 0 46 -2,-0.3 2,-0.2 -5,-0.1 -8,-0.1 -0.928 14.5-146.7 174.5 170.5 62.4 45.9 22.7 300 308 A G + 0 0 39 -2,-0.3 -9,-0.0 -7,-0.1 -2,-0.0 -0.597 26.4 149.4-137.6-162.0 64.5 42.9 23.2 301 309 A E - 0 0 143 -2,-0.2 2,-0.4 2,-0.1 -11,-0.0 0.349 55.2 -95.8 121.8 108.1 67.0 40.3 22.0 302 310 A P - 0 0 74 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 -0.238 30.2-142.8 -52.2 102.8 69.6 38.6 24.3 303 311 A L B -G 290 0C 42 -13,-2.7 -13,-0.6 -2,-0.4 2,-0.3 -0.482 29.9-111.7 -66.9 130.8 72.9 40.2 24.2 304 312 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.520 34.2-164.9 -72.1 125.2 75.6 37.4 24.4 305 313 A V + 0 0 23 -2,-0.3 -47,-0.1 -50,-0.3 -48,-0.1 -0.915 25.1 170.6-117.8 136.0 77.7 37.2 27.6 306 314 A D S S- 0 0 112 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.399 76.4 -10.9-116.9 -1.1 81.0 35.3 28.4 307 315 A S S > S- 0 0 45 -50,-0.0 4,-0.8 0, 0.0 -1,-0.3 -0.916 82.1 -84.6-178.2 178.4 81.7 36.7 31.8 308 316 A E H > S+ 0 0 4 -2,-0.3 4,-1.6 1,-0.2 12,-0.2 0.553 126.0 67.4 -74.4 -12.6 80.6 39.5 34.1 309 317 A K H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 89.7 59.6 -69.8 -50.5 83.0 41.5 32.0 310 318 A D H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.842 106.6 49.1 -45.5 -45.5 80.8 41.1 29.0 311 319 A I H X S+ 0 0 0 -4,-0.8 4,-1.7 2,-0.2 5,-0.2 0.960 109.3 45.3 -61.4 -63.3 78.1 42.9 30.9 312 320 A F H < S+ 0 0 0 -4,-1.6 3,-0.4 1,-0.2 5,-0.4 0.903 111.6 56.1 -45.0 -54.3 79.7 46.0 32.3 313 321 A D H >< S+ 0 0 73 -4,-2.3 3,-3.2 1,-0.3 -1,-0.2 0.887 103.8 54.6 -42.1 -58.2 81.4 46.5 29.0 314 322 A Y H 3< S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.869 112.7 40.0 -44.4 -53.2 78.0 46.5 27.4 315 323 A I T 3< S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.249 118.8-119.9 -84.9 15.5 76.7 49.2 29.6 316 324 A Q < + 0 0 125 -3,-3.2 2,-0.3 -5,-0.2 -3,-0.3 0.951 63.2 137.8 44.1 76.0 80.1 50.7 29.2 317 325 A W - 0 0 64 -5,-0.4 2,-0.4 -6,-0.0 -1,-0.2 -0.909 59.2 -76.5-144.7 172.0 81.2 50.7 32.8 318 326 A K - 0 0 128 -2,-0.3 2,-0.1 1,-0.1 -6,-0.0 -0.537 49.7-116.0 -71.0 121.0 83.9 50.1 35.3 319 327 A Y - 0 0 104 -2,-0.4 2,-0.7 1,-0.1 -1,-0.1 -0.387 33.8-145.6 -59.8 129.2 84.5 46.4 36.0 320 328 A R - 0 0 37 -12,-0.2 -1,-0.1 -2,-0.1 5,-0.1 -0.907 5.1-137.1-107.2 119.0 83.7 46.0 39.5 321 329 A E > - 0 0 126 -2,-0.7 3,-0.6 1,-0.1 4,-0.0 -0.356 32.2-115.5 -61.2 147.4 85.5 43.6 41.6 322 330 A P G > S+ 0 0 24 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.867 112.0 67.0 -56.4 -35.9 82.9 41.9 43.6 323 331 A K G > S+ 0 0 125 1,-0.3 3,-0.6 2,-0.1 -146,-0.1 0.891 104.4 42.0 -47.5 -50.8 84.3 43.3 46.8 324 332 A D G < S+ 0 0 60 -3,-0.6 3,-0.3 1,-0.2 -1,-0.3 0.102 84.2 99.0 -86.0 18.2 83.4 46.9 45.8 325 333 A R G < + 0 0 0 -3,-2.2 -1,-0.2 1,-0.2 -55,-0.2 0.404 50.2 114.7 -84.2 2.5 80.0 45.8 44.5 326 334 A S < 0 0 63 -3,-0.6 -56,-0.6 1,-0.2 -57,-0.2 0.881 360.0 360.0 -36.8 -71.1 78.7 47.0 47.8 327 335 A E 0 0 157 -3,-0.3 -1,-0.2 -58,-0.2 -2,-0.1 0.187 360.0 360.0-141.0 360.0 76.5 49.9 46.7