==== 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 15-DEC-95 9ICF . 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) . 17952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 69.1 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 . 28 8.6 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 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 1 1 1 2 2 1 0 2 1 0 0 1 1 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 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 . 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 0 207 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -10.4 67.1 58.0 56.8 2 10 A T + 0 0 125 37,-0.2 4,-0.3 3,-0.0 37,-0.0 0.130 360.0 76.7-176.8 -13.9 67.0 58.9 60.5 3 11 A L S S+ 0 0 56 36,-0.2 42,-0.4 1,-0.2 4,-0.1 0.719 116.5 23.7 -82.3 -17.7 65.0 62.0 60.4 4 12 A N S > S+ 0 0 7 35,-0.2 4,-2.2 40,-0.1 5,-0.2 0.307 90.8 118.8-126.7 6.3 62.1 59.8 59.9 5 13 A G H >> S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 3,-0.7 0.858 76.4 42.0 -36.4 -75.7 63.5 56.6 61.4 6 14 A G H 3> S+ 0 0 36 -4,-0.3 4,-3.4 1,-0.3 5,-0.3 0.887 112.6 55.4 -44.7 -50.6 61.0 55.9 64.3 7 15 A I H 3> S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.896 114.8 41.2 -50.4 -43.7 58.0 56.9 62.2 8 16 A T H S+ 0 0 37 -4,-0.6 5,-1.2 -3,-0.3 4,-0.8 0.899 102.7 50.5 -78.1 -45.3 52.0 42.6 62.3 18 26 A E H X5S+ 0 0 8 -4,-1.5 6,-1.2 -3,-0.2 4,-0.5 0.947 109.6 52.9 -53.8 -50.9 49.0 42.7 60.0 19 27 A K H <5S+ 0 0 89 -4,-1.5 -1,-0.2 5,-0.2 -2,-0.2 0.907 123.2 22.4 -47.2 -63.4 50.6 40.5 57.5 20 28 A N H <5S+ 0 0 24 -4,-1.3 -3,-0.2 4,-0.1 -2,-0.1 0.983 127.5 38.8 -75.0 -74.3 51.6 37.7 59.9 21 29 A V H <5S+ 0 0 31 -4,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.899 131.0 16.9 -50.8 -49.1 49.3 37.8 62.9 22 30 A S S < + 0 0 25 -6,-1.2 4,-4.5 1,-0.2 5,-0.3 -0.468 14.3 166.0 -86.1 65.1 45.4 42.0 56.6 25 33 A I H > S+ 0 0 93 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.842 77.1 50.4 -46.5 -40.6 47.4 42.1 53.5 26 34 A H H > S+ 0 0 148 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.972 114.8 40.0 -63.5 -53.9 45.9 45.5 52.7 27 35 A K H > S+ 0 0 111 1,-0.3 4,-2.4 2,-0.3 -2,-0.2 0.908 118.5 49.5 -59.0 -47.6 46.5 47.1 56.0 28 36 A Y H X S+ 0 0 33 -4,-4.5 4,-0.8 1,-0.3 -1,-0.3 0.898 111.5 46.7 -58.6 -42.9 49.7 45.5 56.0 29 37 A N H X S+ 0 0 77 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.3 0.775 108.8 59.8 -69.0 -30.7 50.4 46.7 52.5 30 38 A A H >X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 3,-0.8 0.999 101.1 51.4 -58.9 -66.4 49.1 50.1 53.7 31 39 A Y H 3X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.667 107.9 56.3 -42.7 -30.6 51.7 50.5 56.4 32 40 A R H 3X S+ 0 0 128 -4,-0.8 4,-0.8 2,-0.2 -1,-0.2 0.887 106.5 41.0 -78.3 -43.4 54.5 49.8 53.9 33 41 A K H XX S+ 0 0 69 -4,-1.4 4,-3.0 -3,-0.8 3,-0.9 0.962 117.6 53.4 -67.4 -43.0 54.1 52.3 51.2 34 42 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 5,-0.3 0.931 111.3 44.3 -52.8 -49.5 53.4 54.7 54.0 35 43 A A H 3< S+ 0 0 10 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.3 0.668 113.0 55.0 -70.1 -14.4 56.6 53.7 55.6 36 44 A S H - 0 0 41 1,-0.0 4,-1.6 22,-0.0 -1,-0.2 -0.908 68.0-113.1-154.7 169.2 52.6 66.1 63.0 48 56 A G H > S+ 0 0 0 -2,-0.3 4,-5.8 2,-0.2 5,-0.2 0.817 117.2 63.9 -78.2 -33.0 50.5 63.7 61.3 49 57 A A H 4 S+ 0 0 65 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.891 107.2 44.0 -52.1 -42.7 48.7 66.4 59.7 50 58 A E H 4 S+ 0 0 37 2,-0.2 3,-0.4 1,-0.2 -1,-0.3 0.815 117.9 43.9 -68.0 -43.6 52.1 67.2 58.1 51 59 A A H >< S+ 0 0 0 -4,-1.6 3,-3.4 1,-0.2 -2,-0.2 0.951 102.0 69.1 -64.9 -53.0 52.7 63.6 57.3 52 60 A K T 3< S+ 0 0 95 -4,-5.8 -1,-0.2 1,-0.3 -2,-0.2 0.553 81.6 74.6 -38.4 -27.4 49.1 63.3 56.1 53 61 A K T 3 S+ 0 0 150 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.635 84.1 99.3 -67.1 -14.7 49.9 65.4 53.2 54 62 A L S X S- 0 0 33 -3,-3.4 3,-0.6 1,-0.1 2,-0.4 -0.207 84.3-104.4 -75.7 167.2 51.7 62.4 52.0 55 63 A P T 3 S+ 0 0 90 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 -0.698 109.3 21.7 -87.9 140.1 50.6 59.9 49.5 56 64 A G T 3 S+ 0 0 39 -2,-0.4 2,-0.8 1,-0.2 -22,-0.3 0.212 100.7 115.6 83.9 -12.2 49.6 56.6 51.1 57 65 A V < + 0 0 9 -3,-0.6 -1,-0.2 -6,-0.2 2,-0.1 -0.803 39.8 163.4 -99.1 107.8 49.0 58.6 54.3 58 66 A G > - 0 0 28 -2,-0.8 4,-1.6 -3,-0.1 3,-0.3 -0.344 56.6 -78.2-106.3-174.9 45.6 58.7 55.4 59 67 A T H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -7,-0.1 0.871 120.6 62.4 -51.9 -46.1 43.7 59.4 58.5 60 68 A K H > S+ 0 0 132 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.831 109.7 33.9 -43.3 -59.2 44.6 56.1 60.0 61 69 A I H > S+ 0 0 12 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.662 109.1 65.1 -75.6 -30.2 48.3 56.3 60.2 62 70 A A H X S+ 0 0 11 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.949 100.3 55.6 -61.2 -44.3 48.3 60.1 60.9 63 71 A E H X S+ 0 0 122 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 110.1 43.4 -50.0 -52.0 46.6 59.1 64.1 64 72 A K H X S+ 0 0 31 -4,-0.9 4,-3.0 1,-0.2 5,-0.3 0.968 109.5 56.2 -62.5 -52.9 49.4 56.8 65.0 65 73 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.865 106.1 52.8 -51.5 -37.8 52.1 59.2 64.0 66 74 A D H X S+ 0 0 69 -4,-2.8 4,-4.4 1,-0.2 -1,-0.2 0.989 110.6 44.9 -62.3 -53.3 50.6 61.8 66.3 67 75 A E H X S+ 0 0 71 -4,-1.9 4,-1.1 1,-0.3 6,-0.5 0.858 113.5 51.0 -54.9 -41.5 50.7 59.5 69.3 68 76 A F H < S+ 0 0 53 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.936 115.3 40.9 -66.5 -41.7 54.1 58.3 68.5 69 77 A L H < S+ 0 0 55 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.911 118.3 49.3 -71.0 -42.3 55.4 61.9 68.1 70 78 A A H < S+ 0 0 78 -4,-4.4 2,-0.4 -5,-0.3 -3,-0.2 0.964 125.7 18.2 -57.7 -84.5 53.5 63.0 71.1 71 79 A T S < S- 0 0 72 -4,-1.1 2,-3.4 2,-0.2 -1,-0.2 -0.735 90.3-113.7 -88.5 129.4 54.4 60.2 73.6 72 80 A G S S+ 0 0 73 -2,-0.4 2,-0.2 -3,-0.1 -4,-0.1 0.235 94.0 45.0 -51.2 25.5 57.6 58.2 72.7 73 81 A K S S- 0 0 112 -2,-3.4 2,-0.3 -6,-0.5 -2,-0.2 -0.724 72.0-124.8-147.2-163.4 55.4 55.1 72.2 74 82 A L > - 0 0 6 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.941 10.0-147.1-154.1 128.4 52.2 53.6 70.8 75 83 A R H > S+ 0 0 162 -2,-0.3 4,-3.1 2,-0.2 5,-0.3 0.962 103.0 51.3 -66.2 -47.1 49.4 51.6 72.7 76 84 A K H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 115.4 44.4 -55.0 -37.7 48.6 49.4 69.7 77 85 A L H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.945 112.6 50.1 -74.1 -43.7 52.3 48.7 69.5 78 86 A E H X S+ 0 0 78 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.833 112.2 48.7 -62.0 -32.9 52.7 48.2 73.2 79 87 A K H X S+ 0 0 126 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.859 114.5 44.1 -73.2 -38.7 49.7 45.8 73.2 80 88 A I H < S+ 0 0 27 -4,-1.6 7,-0.2 -5,-0.3 -2,-0.2 0.877 110.0 55.3 -71.1 -42.9 51.1 43.8 70.2 81 89 A R H < S+ 0 0 189 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.846 115.8 40.6 -60.2 -36.1 54.6 43.7 71.6 82 90 A Q H < S+ 0 0 138 -4,-0.9 -2,-0.2 -5,-0.3 -3,-0.1 0.994 89.7 103.2 -74.3 -70.7 53.1 42.2 74.7 83 91 A D X - 0 0 72 -4,-2.4 4,-2.2 1,-0.1 5,-0.1 0.248 59.3-147.6 -23.9 119.8 50.5 39.7 73.4 84 92 A D H > S+ 0 0 101 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.877 90.4 55.1 -61.3 -47.0 51.4 36.1 73.5 85 93 A T H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.953 114.7 39.9 -55.9 -50.1 49.6 34.9 70.4 86 94 A S H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.963 114.1 55.3 -64.0 -44.8 51.2 37.3 68.2 87 95 A S H X S+ 0 0 47 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.875 106.8 53.0 -49.2 -48.3 54.5 36.8 70.0 88 96 A S H >X S+ 0 0 14 -4,-3.7 4,-2.3 1,-0.2 3,-0.6 0.890 105.2 50.3 -57.2 -50.8 54.3 33.2 69.3 89 97 A I H 3X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.900 105.1 60.0 -57.4 -40.3 53.8 33.4 65.7 90 98 A N H 3< S+ 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.870 111.9 39.1 -52.8 -37.6 56.7 35.7 65.5 91 99 A F H X< S+ 0 0 63 -4,-1.2 3,-2.5 -3,-0.6 4,-0.3 0.868 108.9 54.1 -78.2 -52.9 58.9 33.0 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.898 95.9 72.2 -53.9 -40.2 57.7 29.7 65.3 93 101 A T T 3< S+ 0 0 44 -4,-1.6 -1,-0.3 -5,-0.3 5,-0.3 0.620 80.7 76.1 -52.3 -14.6 58.3 31.4 62.2 94 102 A R T < S+ 0 0 115 -3,-2.5 2,-0.3 2,-0.1 -1,-0.3 0.750 70.5 94.4 -71.5 -26.8 62.1 31.1 62.8 95 103 A V S X S- 0 0 4 -3,-2.2 3,-2.3 -4,-0.3 2,-0.1 -0.571 91.8-110.9 -69.5 124.8 62.2 27.5 62.0 96 104 A S T 3 S+ 0 0 43 -2,-0.3 35,-0.3 1,-0.3 36,-0.1 -0.476 108.8 33.0 -60.1 128.6 63.2 27.1 58.4 97 105 A G T 3 S+ 0 0 31 -4,-0.2 2,-0.7 1,-0.1 -1,-0.3 0.229 93.8 107.7 103.8 -3.2 60.0 25.8 56.8 98 106 A I < + 0 0 9 -3,-2.3 -1,-0.1 -5,-0.3 -3,-0.0 -0.918 41.4 173.1-114.2 110.5 57.7 27.7 59.0 99 107 A G > - 0 0 35 -2,-0.7 4,-2.6 -3,-0.1 5,-0.2 -0.395 52.9 -88.2 -98.6 176.2 55.9 30.5 57.4 100 108 A P H > S+ 0 0 39 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.832 122.3 64.5 -55.3 -36.4 53.1 32.5 59.1 101 109 A S H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 3,-0.1 0.952 109.1 32.5 -52.0 -66.5 50.7 30.1 57.8 102 110 A A H > S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.882 115.7 61.7 -60.2 -40.6 51.7 27.2 59.6 103 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.931 107.2 43.7 -52.9 -47.6 52.8 29.4 62.5 104 112 A R H X S+ 0 0 54 -4,-3.7 4,-2.3 2,-0.2 -1,-0.2 0.949 114.1 51.3 -64.7 -42.8 49.3 30.6 63.0 105 113 A K H X S+ 0 0 108 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.952 112.3 44.9 -55.5 -53.3 48.0 27.1 62.5 106 114 A F H X>S+ 0 0 0 -4,-3.3 5,-3.2 1,-0.2 4,-0.8 0.895 110.4 57.1 -55.2 -44.3 50.3 25.5 65.2 107 115 A V H ><5S+ 0 0 1 -4,-2.2 3,-1.5 -5,-0.4 -1,-0.2 0.932 104.2 49.6 -54.2 -52.1 49.6 28.3 67.5 108 116 A D H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.908 107.6 55.4 -57.3 -40.8 45.9 27.7 67.5 109 117 A E H 3<5S- 0 0 100 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.667 127.8-100.0 -65.7 -15.6 46.6 24.1 68.2 110 118 A G T <<5S+ 0 0 42 -3,-1.5 2,-1.0 -4,-0.8 3,-0.3 0.708 80.2 133.9 105.3 17.1 48.6 25.1 71.2 111 119 A I < + 0 0 5 -5,-3.2 -1,-0.2 1,-0.2 -2,-0.1 -0.819 13.5 139.3-106.0 93.9 52.1 24.9 69.8 112 120 A K + 0 0 76 -2,-1.0 -1,-0.2 -3,-0.1 2,-0.1 0.787 54.2 53.8-101.3 -42.7 53.7 27.9 70.9 113 121 A T S > S- 0 0 58 -3,-0.3 4,-1.3 1,-0.1 -25,-0.0 -0.456 81.1-113.9 -97.3 172.0 57.1 26.8 71.8 114 122 A L H > S+ 0 0 35 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.833 118.9 54.2 -64.1 -40.6 60.0 24.9 70.4 115 123 A E H > S+ 0 0 126 2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.940 106.0 51.4 -62.8 -44.1 59.4 22.2 72.9 116 124 A D H > S+ 0 0 41 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.866 105.2 62.1 -56.5 -35.2 55.8 22.0 71.8 117 125 A L H < S+ 0 0 0 -4,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.882 105.3 41.5 -56.5 -46.7 57.5 21.7 68.5 118 126 A R H >< S+ 0 0 118 -4,-1.6 3,-2.5 -3,-0.4 -2,-0.2 0.941 107.8 57.8 -68.6 -50.5 59.2 18.5 69.3 119 127 A K H 3< S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.634 117.4 38.9 -54.8 -18.4 56.4 16.8 71.1 120 128 A N T >< + 0 0 39 -4,-0.8 3,-2.2 -3,-0.3 -1,-0.3 -0.126 69.3 132.3-126.4 36.1 54.5 17.3 67.9 121 129 A E G X + 0 0 100 -3,-2.5 3,-1.3 1,-0.3 -2,-0.1 0.736 67.8 71.2 -58.6 -20.7 57.2 16.6 65.5 122 130 A D G 3 S+ 0 0 115 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.828 90.1 58.9 -62.8 -32.9 54.6 14.5 63.9 123 131 A K G < S+ 0 0 79 -3,-2.2 2,-0.3 -6,-0.2 -1,-0.2 0.463 96.3 82.9 -72.8 -8.1 52.7 17.6 62.8 124 132 A L S < S- 0 0 4 -3,-1.3 2,-0.1 -4,-0.3 -7,-0.0 -0.797 71.0-139.7-102.6 141.1 55.8 18.8 60.9 125 133 A N > - 0 0 90 -2,-0.3 4,-2.0 -28,-0.1 3,-0.2 -0.470 41.4 -86.1 -92.4 171.3 56.9 17.8 57.5 126 134 A H H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.792 123.9 52.3 -42.2 -50.1 60.4 17.1 56.5 127 135 A H H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.962 117.5 40.4 -53.2 -54.3 61.5 20.7 55.7 128 136 A Q H > S+ 0 0 15 -3,-0.2 4,-2.3 -31,-0.2 -1,-0.2 0.681 109.4 62.8 -63.8 -28.2 60.3 21.8 59.1 129 137 A R H X S+ 0 0 105 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.936 109.3 39.0 -67.6 -43.9 61.6 18.7 60.6 130 138 A I H X S+ 0 0 8 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.843 108.7 62.9 -73.6 -29.8 65.0 19.6 59.7 131 139 A G H >< S+ 0 0 1 -4,-1.5 3,-1.0 -35,-0.3 -2,-0.2 0.966 110.9 39.9 -52.7 -56.4 64.2 23.2 60.5 132 140 A L H >< S+ 0 0 15 -4,-2.3 3,-1.3 1,-0.3 4,-0.3 0.883 110.2 60.4 -57.4 -48.5 63.7 22.1 64.1 133 141 A K H 3< S+ 0 0 124 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.754 118.9 24.8 -57.3 -28.3 66.5 19.8 64.0 134 142 A Y T S+ 0 0 22 -3,-1.3 4,-1.3 2,-0.2 -2,-0.1 0.893 79.7 40.6 -39.8 -59.2 67.3 25.4 64.8 136 144 A G H >> S+ 0 0 40 -4,-0.3 3,-2.1 1,-0.2 4,-0.9 0.975 115.9 48.2 -56.1 -72.2 70.5 26.5 66.6 137 145 A D H 34 S+ 0 0 32 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.755 109.8 59.0 -37.9 -34.0 73.0 25.8 63.7 138 146 A F H 3< S+ 0 0 41 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.849 100.6 48.8 -71.1 -34.3 70.6 27.6 61.5 139 147 A E H << S+ 0 0 103 -3,-2.1 2,-0.4 -4,-1.3 -1,-0.2 0.590 93.5 100.6 -79.5 -12.2 70.5 31.0 63.2 140 148 A K S < S- 0 0 104 -4,-0.9 -4,-0.0 -3,-0.4 0, 0.0 -0.642 71.1-127.2 -83.2 128.9 74.4 31.1 63.3 141 149 A R - 0 0 139 -2,-0.4 40,-0.2 1,-0.1 -1,-0.1 -0.137 25.7-111.9 -66.6 161.5 76.5 33.1 60.8 142 150 A I E -A 180 0A 0 38,-4.4 38,-1.0 40,-0.0 2,-0.3 -0.848 18.6-131.1-104.5 121.6 79.3 31.5 58.8 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-1.9 0, 0.0 4,-1.8 -0.541 13.0-137.2 -69.8 131.9 82.9 32.3 59.4 144 152 A R H 3> S+ 0 0 61 34,-2.3 4,-2.7 -2,-0.3 5,-0.2 0.807 108.3 70.6 -51.7 -30.1 84.5 33.1 56.0 145 153 A E H 3> S+ 0 0 123 33,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.917 106.8 35.1 -49.2 -49.1 87.2 31.0 57.7 146 154 A E H <> S+ 0 0 24 -3,-1.9 4,-2.8 2,-0.2 3,-0.5 0.807 109.9 63.9 -73.2 -38.6 84.8 28.1 57.2 147 155 A M H X S+ 0 0 1 -4,-1.8 4,-2.9 1,-0.3 -2,-0.2 0.824 99.6 55.1 -53.6 -43.4 83.4 29.4 53.9 148 156 A L H X S+ 0 0 74 -4,-2.7 4,-1.5 2,-0.2 -1,-0.3 0.790 110.8 43.9 -62.4 -38.6 86.9 28.9 52.5 149 157 A Q H X S+ 0 0 63 -4,-0.6 4,-2.5 -3,-0.5 -2,-0.2 0.931 114.8 47.6 -74.8 -47.1 87.0 25.2 53.5 150 158 A M H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.960 114.3 47.0 -53.1 -56.1 83.5 24.5 52.4 151 159 A Q H X S+ 0 0 61 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.878 108.1 58.4 -51.8 -45.1 84.1 26.2 49.1 152 160 A D H X S+ 0 0 85 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.935 109.5 42.8 -49.4 -57.2 87.4 24.2 48.9 153 161 A I H X S+ 0 0 44 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.873 111.3 54.8 -61.4 -43.8 85.6 20.9 49.0 154 162 A V H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.976 107.2 48.8 -57.3 -53.9 82.8 21.9 46.7 155 163 A L H X S+ 0 0 55 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.832 108.4 56.1 -52.9 -36.8 85.1 22.9 43.9 156 164 A N H X S+ 0 0 73 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.930 111.2 39.8 -67.3 -45.9 87.0 19.7 44.2 157 165 A E H X S+ 0 0 17 -4,-2.0 4,-3.3 -3,-0.2 5,-0.2 0.946 110.0 57.7 -70.9 -41.8 84.2 17.4 43.8 158 166 A V H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.3 7,-0.3 0.890 113.4 44.2 -46.4 -45.1 82.4 19.4 41.1 159 167 A K H < S+ 0 0 132 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.840 110.9 51.3 -68.6 -44.4 85.6 19.1 39.2 160 168 A K H < S+ 0 0 122 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.889 109.8 51.0 -68.0 -36.7 86.2 15.5 39.9 161 169 A V H < S- 0 0 47 -4,-3.3 2,-0.4 1,-0.3 -2,-0.2 0.994 137.8 -14.0 -62.3 -57.8 82.8 14.6 38.8 162 170 A D < - 0 0 54 -4,-2.2 -1,-0.3 -5,-0.2 3,-0.3 -0.986 56.7-150.4-144.9 138.6 83.1 16.4 35.5 163 171 A S S S+ 0 0 77 -2,-0.4 -4,-0.1 -3,-0.2 -3,-0.1 0.462 92.7 70.8 -89.0 -5.3 85.7 18.8 34.8 164 172 A E S S+ 0 0 113 -6,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.692 76.2 111.6 -80.6 -22.8 83.6 20.7 32.4 165 173 A Y - 0 0 17 -7,-0.3 2,-0.5 -3,-0.3 24,-0.2 -0.212 54.3-154.4 -55.8 140.2 81.5 22.0 35.4 166 174 A I E +B 188 0B 61 22,-2.1 22,-1.7 2,-0.0 2,-0.3 -0.962 16.9 178.8-123.8 110.6 81.6 25.7 36.4 167 175 A A E -B 187 0B 22 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.813 9.3-179.3-113.7 152.6 80.9 26.6 39.9 168 176 A T E -B 186 0B 31 18,-1.5 18,-3.6 -2,-0.3 2,-0.9 -0.952 22.6-145.2-150.6 124.1 80.9 29.9 41.7 169 177 A V E +B 185 0B 6 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.869 33.3 179.7 -91.9 118.4 80.1 30.5 45.2 170 178 A C + 0 0 1 14,-2.1 14,-0.4 -2,-0.9 3,-0.3 -0.130 29.4 76.6 -98.2-161.5 78.4 33.9 45.0 171 179 A G S > S- 0 0 11 93,-0.3 4,-1.0 2,-0.2 6,-0.1 -0.606 101.3 -36.6 102.4-163.4 77.0 35.9 47.9 172 180 A S T 4>S+ 0 0 26 1,-0.2 5,-2.1 2,-0.2 -1,-0.2 0.716 135.1 62.3 -72.4 -29.6 78.4 38.1 50.7 173 181 A F T >45S+ 0 0 9 -3,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.862 101.1 46.7 -62.7 -44.5 81.2 35.7 50.6 174 182 A R T 345S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.799 106.7 60.8 -68.9 -35.3 82.1 36.5 47.1 175 183 A R T 3<5S- 0 0 70 -4,-1.0 -1,-0.3 90,-0.1 -2,-0.2 -0.088 126.5-100.2 -84.7 30.3 81.8 40.2 48.1 176 184 A G T < 5 + 0 0 32 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.047 63.6 169.9 73.5 -18.5 84.6 39.6 50.7 177 185 A A < - 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