==== 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 16-DEC-95 9ICM . 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) . 17965.0 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 . 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 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 . 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 0 2 2 1 1 3 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 0 221 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -21.2 67.3 58.3 57.1 2 10 A T + 0 0 123 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.166 360.0 80.0-165.0 -3.2 67.3 59.4 60.8 3 11 A L S S+ 0 0 60 36,-0.1 42,-0.1 1,-0.1 3,-0.1 0.853 112.2 18.0 -83.4 -35.5 65.1 62.4 60.5 4 12 A N S > S+ 0 0 9 35,-0.1 4,-3.3 1,-0.1 5,-0.3 0.051 88.0 128.7-126.6 28.1 61.8 60.4 60.6 5 13 A G H > + 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.811 69.5 49.0 -48.1 -53.0 63.1 57.1 62.0 6 14 A G H > S+ 0 0 37 2,-0.2 4,-4.0 1,-0.2 5,-0.4 0.968 114.8 48.4 -56.9 -51.0 60.7 56.4 64.8 7 15 A I H > S+ 0 0 9 1,-0.3 4,-2.7 2,-0.3 -2,-0.2 0.939 113.1 44.7 -53.3 -56.6 57.9 57.1 62.5 8 16 A T H X S+ 0 0 21 -4,-3.3 4,-1.6 1,-0.2 -1,-0.3 0.791 115.3 52.8 -62.2 -23.9 59.3 54.9 59.9 9 17 A D H X S+ 0 0 99 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.3 0.976 109.4 42.0 -74.9 -49.8 59.9 52.5 62.6 10 18 A M H X S+ 0 0 4 -4,-4.0 4,-2.9 1,-0.2 5,-0.2 0.924 111.6 59.4 -59.1 -41.7 56.5 52.3 64.2 11 19 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.4 -1,-0.2 0.905 107.5 45.3 -52.1 -45.7 55.1 52.3 60.7 12 20 A T H X S+ 0 0 63 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.913 110.5 54.1 -67.3 -40.3 57.1 49.1 60.0 13 21 A E H X S+ 0 0 73 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.934 113.2 43.8 -54.0 -48.5 56.0 47.5 63.4 14 22 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.938 113.2 50.1 -61.7 -53.7 52.4 48.1 62.5 15 23 A A H X S+ 0 0 2 -4,-2.6 4,-1.8 -5,-0.2 3,-0.2 0.938 111.0 49.5 -53.7 -52.8 52.8 46.9 59.0 16 24 A N H X S+ 0 0 89 -4,-3.4 4,-2.6 1,-0.2 5,-0.3 0.917 108.7 53.1 -52.7 -47.9 54.5 43.8 60.0 17 25 A F H X>S+ 0 0 33 -4,-2.3 4,-2.9 -5,-0.3 5,-1.2 0.904 104.4 53.7 -55.6 -46.0 51.9 43.0 62.4 18 26 A E H <5S+ 0 0 7 -4,-2.2 6,-0.3 1,-0.2 -1,-0.2 0.950 114.1 43.0 -53.7 -49.9 49.0 43.3 60.1 19 27 A K H <5S+ 0 0 87 -4,-1.8 -1,-0.2 5,-0.2 -2,-0.2 0.893 121.5 36.8 -62.9 -48.5 50.5 40.9 57.7 20 28 A N H <5S+ 0 0 25 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.847 130.9 21.5 -78.1 -38.8 51.7 38.3 60.3 21 29 A V T <5S+ 0 0 32 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.886 128.6 34.1 -94.3 -59.2 49.0 38.3 63.0 22 30 A S S + 0 0 27 -6,-0.3 4,-4.2 1,-0.2 3,-0.3 -0.096 10.3 159.9 -34.8 50.2 45.5 42.5 56.8 25 33 A I H > S+ 0 0 99 -2,-2.1 4,-3.1 1,-0.3 5,-0.2 0.857 76.6 53.3 -46.0 -43.7 47.5 42.6 53.5 26 34 A H H > S+ 0 0 157 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.960 116.0 36.8 -59.8 -50.5 45.7 45.8 52.6 27 35 A K H > S+ 0 0 103 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.895 116.2 54.6 -65.1 -44.7 46.6 47.5 55.8 28 36 A Y H X S+ 0 0 33 -4,-4.2 4,-1.4 1,-0.3 -2,-0.2 0.943 109.0 46.5 -53.4 -51.2 49.8 45.9 55.9 29 37 A N H X S+ 0 0 79 -4,-3.1 4,-1.5 -5,-0.3 -1,-0.3 0.754 108.2 61.8 -62.4 -27.9 50.6 47.2 52.5 30 38 A A H >X S+ 0 0 27 -4,-1.0 4,-2.1 -5,-0.2 3,-0.5 0.988 101.1 47.8 -63.5 -58.7 49.3 50.5 53.7 31 39 A Y H 3X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.784 109.4 59.3 -51.3 -34.3 51.9 51.0 56.5 32 40 A R H 3X S+ 0 0 148 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.897 103.9 42.5 -69.6 -44.2 54.5 50.1 54.0 33 41 A K H S- 0 0 39 1,-0.1 4,-1.4 22,-0.0 -1,-0.2 -0.984 71.9 -94.1-173.8 171.1 52.7 66.5 63.3 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.4 1,-0.2 3,-0.8 0.967 117.6 55.4 -61.7 -55.7 50.1 64.4 61.8 49 57 A A H 3> S+ 0 0 68 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.817 106.4 52.0 -48.1 -36.2 48.6 67.0 59.6 50 58 A E H 34 S+ 0 0 44 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.867 115.4 43.5 -68.5 -36.9 52.0 67.7 58.1 51 59 A A H X< S+ 0 0 0 -4,-1.4 3,-3.5 -3,-0.8 -2,-0.2 0.950 101.6 62.6 -70.2 -54.1 52.3 64.1 57.4 52 60 A K H 3< S+ 0 0 95 -4,-3.4 5,-0.3 1,-0.3 -1,-0.2 0.767 87.9 77.7 -40.4 -37.8 48.8 63.5 56.1 53 61 A K T 3< S+ 0 0 170 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.596 82.2 92.3 -51.3 -14.7 49.8 65.9 53.4 54 62 A L S X S- 0 0 35 -3,-3.5 3,-2.2 4,-0.1 2,-0.1 -0.610 87.7-108.6 -91.9 148.9 51.7 63.0 52.0 55 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.445 111.2 28.7 -65.7 139.3 50.5 60.5 49.4 56 64 A G T 3 S+ 0 0 28 1,-0.2 2,-0.9 -2,-0.1 -22,-0.2 0.315 99.8 113.4 88.8 -12.9 49.9 57.2 51.1 57 65 A V < + 0 0 9 -3,-2.2 -1,-0.2 -5,-0.3 2,-0.1 -0.798 42.7 170.8-105.9 104.2 49.2 59.1 54.2 58 66 A G > - 0 0 29 -2,-0.9 4,-2.0 -3,-0.1 5,-0.1 -0.187 50.9 -89.4 -93.6-172.9 45.7 58.9 55.4 59 67 A T H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.801 120.3 57.8 -68.3 -34.8 43.9 60.0 58.4 60 68 A K H > S+ 0 0 126 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.952 111.6 37.1 -66.3 -49.0 44.6 56.7 60.1 61 69 A I H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 3,-0.3 0.886 112.6 59.4 -68.6 -40.2 48.3 56.8 60.0 62 70 A A H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.930 103.2 53.7 -52.9 -44.8 48.2 60.5 60.6 63 71 A E H X S+ 0 0 123 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.880 109.4 47.7 -56.2 -41.3 46.4 59.7 63.8 64 72 A K H X S+ 0 0 38 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.921 106.7 55.0 -68.8 -46.3 49.1 57.4 64.8 65 73 A I H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.4 0.913 106.8 55.0 -56.9 -39.3 52.0 59.8 64.0 66 74 A D H X S+ 0 0 69 -4,-2.5 4,-4.8 -5,-0.3 5,-0.2 0.971 108.8 42.8 -57.9 -59.0 50.3 62.2 66.3 67 75 A E H X S+ 0 0 73 -4,-1.8 4,-2.5 1,-0.2 6,-0.5 0.857 117.1 50.4 -53.9 -40.6 50.1 60.1 69.4 68 76 A F H < S+ 0 0 55 -4,-2.5 3,-0.3 2,-0.2 5,-0.3 0.988 115.4 39.0 -65.5 -55.0 53.5 58.9 68.8 69 77 A L H < S+ 0 0 55 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.948 117.0 53.8 -59.3 -43.9 55.0 62.4 68.3 70 78 A A H < S+ 0 0 84 -4,-4.8 2,-0.3 -5,-0.4 -1,-0.2 0.886 126.9 11.0 -57.6 -37.8 52.8 63.5 71.2 71 79 A T S < S- 0 0 71 -4,-2.5 2,-1.5 2,-0.4 -1,-0.2 -0.998 84.2-108.3-140.3 139.3 54.1 60.8 73.6 72 80 A G S S+ 0 0 72 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.361 97.1 54.9 -54.8 19.2 57.1 58.4 73.1 73 81 A K - 0 0 84 -2,-1.5 -2,-0.4 -6,-0.5 2,-0.3 -0.862 65.7-140.4-145.2-178.3 54.7 55.6 72.6 74 82 A L > - 0 0 1 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.970 18.0-143.6-142.7 120.8 51.7 54.2 70.8 75 83 A R H > S+ 0 0 181 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.950 102.0 52.5 -54.0 -50.5 49.0 52.2 72.7 76 84 A K H > S+ 0 0 78 1,-0.3 4,-2.8 2,-0.3 -1,-0.2 0.893 110.6 46.1 -50.0 -50.7 48.6 49.8 69.8 77 85 A L H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.908 114.2 52.5 -61.7 -37.1 52.2 49.1 69.7 78 86 A E H < S+ 0 0 71 -4,-2.5 3,-0.4 2,-0.2 4,-0.3 0.980 110.9 42.9 -60.3 -54.3 52.0 48.8 73.4 79 87 A K H >X S+ 0 0 133 -4,-3.3 3,-1.8 1,-0.2 4,-1.5 0.942 113.5 51.9 -54.3 -56.9 49.2 46.3 73.4 80 88 A I H 3< S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.768 100.6 63.1 -51.5 -36.2 50.6 44.2 70.5 81 89 A R T 3< S+ 0 0 129 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.486 111.5 37.9 -69.9 -7.7 54.1 43.8 72.3 82 90 A Q T <4 S+ 0 0 140 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.863 83.8 105.8-101.7 -62.3 52.5 42.0 75.1 83 91 A D X - 0 0 65 -4,-1.5 4,-2.0 1,-0.2 3,-0.2 0.164 60.4-149.5 -23.5 106.8 49.9 39.8 73.6 84 92 A D H > S+ 0 0 103 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.838 91.5 59.6 -61.8 -28.3 51.2 36.4 73.8 85 93 A T H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 105.0 46.6 -62.3 -47.2 49.4 35.4 70.7 86 94 A S H > S+ 0 0 3 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.917 114.5 50.6 -59.1 -41.2 51.0 37.9 68.6 87 95 A S H X S+ 0 0 49 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.901 104.7 54.8 -63.9 -44.3 54.4 37.0 70.1 88 96 A S H X S+ 0 0 13 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.903 107.2 52.0 -58.2 -38.4 54.0 33.3 69.5 89 97 A I H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.914 108.0 51.2 -64.4 -42.1 53.4 34.0 65.9 90 98 A N H < S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 116.0 42.5 -63.3 -30.8 56.5 36.0 65.7 91 99 A F H >< S+ 0 0 66 -4,-2.0 3,-2.0 2,-0.2 4,-0.4 0.916 107.8 52.6 -80.3 -53.3 58.5 33.3 67.2 92 100 A L H >< S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.3 6,-0.2 0.883 99.7 68.8 -52.1 -39.0 57.2 30.1 65.6 93 101 A T T 3< S+ 0 0 41 -4,-1.5 -1,-0.3 1,-0.3 5,-0.2 0.677 83.4 72.4 -53.6 -23.5 57.9 31.8 62.3 94 102 A R T < S+ 0 0 114 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.752 76.2 95.6 -69.0 -23.3 61.6 31.6 63.0 95 103 A V S X S- 0 0 2 -3,-2.4 3,-2.0 -4,-0.4 2,-0.4 -0.497 91.7-109.5 -69.8 137.7 61.5 28.0 62.4 96 104 A S T 3 S+ 0 0 35 35,-0.6 35,-0.3 1,-0.3 3,-0.1 -0.555 104.6 23.4 -69.9 127.1 62.4 27.2 58.9 97 105 A G T 3 S+ 0 0 34 -2,-0.4 2,-0.7 1,-0.3 -1,-0.3 0.181 96.4 104.1 106.2 -15.6 59.3 26.1 57.1 98 106 A I < + 0 0 7 -3,-2.0 -1,-0.3 -6,-0.2 26,-0.0 -0.917 46.8 178.0-104.2 123.3 56.9 27.7 59.3 99 107 A G > - 0 0 30 -2,-0.7 4,-2.4 -3,-0.1 5,-0.1 -0.342 48.2 -87.6-103.8-171.6 55.5 30.7 57.8 100 108 A P H > S+ 0 0 43 0, 0.0 4,-3.4 0, 0.0 5,-0.1 0.840 125.5 59.0 -66.6 -38.2 52.8 32.9 59.4 101 109 A S H > S+ 0 0 92 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.947 112.1 38.7 -55.3 -53.1 50.1 30.9 58.0 102 110 A A H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.891 110.1 60.7 -62.9 -45.8 51.3 27.9 59.8 103 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 104.5 51.5 -50.5 -43.3 52.2 29.9 62.8 104 112 A R H X S+ 0 0 48 -4,-3.4 4,-2.1 2,-0.2 -1,-0.2 0.978 109.8 46.8 -61.3 -53.4 48.6 30.8 63.0 105 113 A K H X S+ 0 0 98 -4,-1.6 4,-0.6 1,-0.2 3,-0.5 0.956 112.2 50.2 -49.6 -59.2 47.3 27.3 62.9 106 114 A F H ><>S+ 0 0 0 -4,-2.5 5,-3.2 1,-0.3 3,-1.1 0.869 109.2 51.7 -47.6 -45.6 49.8 26.0 65.4 107 115 A V H ><5S+ 0 0 6 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.3 0.920 105.7 53.6 -63.5 -40.4 49.0 28.7 67.8 108 116 A D H 3<5S+ 0 0 129 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 0.602 107.7 51.7 -71.4 -6.6 45.4 28.1 67.7 109 117 A E T <<5S- 0 0 111 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.484 126.2-105.3-104.4 -0.5 46.1 24.6 68.5 110 118 A G T < 5S+ 0 0 36 -3,-1.7 2,-0.9 -4,-0.4 -3,-0.2 0.507 76.0 134.6 96.1 4.7 48.1 25.8 71.4 111 119 A I < + 0 0 5 -5,-3.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.800 13.2 145.0 -90.5 111.3 51.6 25.2 70.1 112 120 A K + 0 0 76 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.318 51.7 48.7-126.5 2.5 53.5 28.3 70.9 113 121 A T S > S- 0 0 55 -3,-0.1 4,-3.3 1,-0.1 5,-0.1 -0.916 81.8-103.0-145.1 171.0 56.9 27.0 71.7 114 122 A L H > S+ 0 0 34 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.853 124.5 46.4 -58.8 -39.6 59.9 25.0 70.8 115 123 A E H > S+ 0 0 133 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.980 108.0 56.7 -67.8 -48.6 58.9 22.4 73.2 116 124 A D H > S+ 0 0 45 1,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.864 109.4 49.7 -44.2 -44.0 55.3 22.6 71.9 117 125 A L H >< S+ 0 0 1 -4,-3.3 3,-1.2 2,-0.2 -1,-0.3 0.954 106.4 49.2 -65.3 -54.1 56.8 21.8 68.7 118 126 A R H >< S+ 0 0 124 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.864 109.8 56.1 -53.3 -38.5 58.9 18.8 69.5 119 127 A K H 3< S+ 0 0 157 -4,-2.8 -1,-0.3 1,-0.3 3,-0.2 0.728 114.6 38.0 -64.9 -27.4 56.0 17.4 71.3 120 128 A N T X< S+ 0 0 45 -3,-1.2 3,-2.0 -4,-0.8 4,-0.4 -0.125 70.6 139.2-117.6 38.0 54.0 17.6 68.2 121 129 A E G X + 0 0 91 -3,-1.4 3,-1.0 1,-0.3 -1,-0.1 0.773 67.1 69.7 -53.4 -22.0 56.7 16.7 65.8 122 130 A D G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.836 91.0 55.1 -66.3 -35.1 54.0 14.8 64.1 123 131 A K G < S+ 0 0 97 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.2 0.531 96.5 83.9 -78.2 -4.6 52.0 17.8 62.9 124 132 A L S < S- 0 0 4 -3,-1.0 2,-0.1 -4,-0.4 -26,-0.0 -0.700 75.0-130.7 -98.3 150.6 55.1 19.2 61.1 125 133 A N > - 0 0 80 -2,-0.3 4,-2.0 -28,-0.1 5,-0.2 -0.336 37.0 -85.4 -91.5-179.7 56.3 18.3 57.7 126 134 A H H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.917 126.8 42.4 -49.2 -59.5 59.7 17.2 56.6 127 135 A H H > S+ 0 0 41 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.957 116.3 49.5 -50.1 -59.5 61.1 20.8 56.0 128 136 A Q H > S+ 0 0 12 1,-0.2 4,-0.8 -31,-0.2 -1,-0.3 0.771 110.8 51.7 -51.1 -32.1 59.5 22.0 59.1 129 137 A R H >X S+ 0 0 96 -4,-2.0 4,-2.1 -3,-0.4 3,-0.9 0.962 111.4 43.5 -73.8 -50.0 61.0 19.1 61.0 130 138 A I H >X S+ 0 0 8 -4,-2.6 4,-1.6 1,-0.3 3,-0.7 0.964 111.1 57.4 -54.0 -52.7 64.5 19.6 59.8 131 139 A G H 3< S+ 0 0 1 -4,-3.4 -35,-0.6 -35,-0.3 -1,-0.3 0.666 109.5 45.0 -49.3 -30.0 64.0 23.3 60.4 132 140 A L H X< S+ 0 0 13 -3,-0.9 3,-0.9 -4,-0.8 -1,-0.3 0.757 108.5 56.8 -86.9 -31.2 63.1 22.5 64.1 133 141 A K H << S+ 0 0 126 -4,-2.1 -2,-0.2 -3,-0.7 3,-0.2 0.769 116.2 34.1 -70.1 -29.5 66.0 20.1 64.5 134 142 A Y T 3X S+ 0 0 17 -4,-1.6 4,-3.3 -5,-0.2 -1,-0.2 -0.043 75.8 128.4-117.5 29.4 68.5 22.7 63.5 135 143 A F H <> S+ 0 0 25 -3,-0.9 4,-0.8 2,-0.2 -1,-0.1 0.868 78.6 44.6 -51.5 -44.6 66.9 25.8 65.0 136 144 A G H >> S+ 0 0 42 -4,-0.2 3,-2.6 2,-0.2 4,-0.8 1.000 115.7 43.9 -62.3 -68.3 70.1 26.7 66.8 137 145 A D H >4 S+ 0 0 30 1,-0.3 3,-0.9 2,-0.2 -2,-0.2 0.820 108.6 63.0 -43.5 -42.6 72.5 26.1 64.0 138 146 A F H 3< S+ 0 0 42 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.732 102.0 46.0 -62.5 -27.1 70.2 27.8 61.6 139 147 A E H << S+ 0 0 104 -3,-2.6 2,-0.5 -4,-0.8 -1,-0.3 0.636 90.3 100.1 -93.5 -8.3 70.3 31.1 63.3 140 148 A K S << S- 0 0 106 -3,-0.9 -4,-0.0 -4,-0.8 0, 0.0 -0.631 74.3-126.0 -76.4 118.5 74.1 31.1 63.6 141 149 A R - 0 0 145 -2,-0.5 40,-0.2 1,-0.1 -1,-0.1 -0.084 24.0-114.2 -57.8 165.0 75.9 33.2 61.0 142 150 A I E -A 180 0A 0 38,-5.3 38,-2.5 40,-0.0 2,-0.2 -0.945 23.7-137.5-112.4 118.5 78.6 31.5 58.9 143 151 A P E >> -A 179 0A 39 0, 0.0 3,-2.7 0, 0.0 4,-2.3 -0.526 16.1-124.5 -76.6 136.8 82.1 32.7 59.3 144 152 A R H 3> S+ 0 0 67 34,-2.9 4,-2.8 1,-0.3 5,-0.3 0.854 109.2 66.3 -46.1 -44.0 84.3 33.2 56.3 145 153 A E H 3> S+ 0 0 123 33,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.769 112.0 34.7 -49.4 -30.8 86.9 30.9 57.7 146 154 A E H <> S+ 0 0 24 -3,-2.7 4,-3.2 2,-0.2 5,-0.2 0.871 111.6 60.8 -87.8 -45.3 84.3 28.1 57.3 147 155 A M H X S+ 0 0 2 -4,-2.3 4,-3.7 1,-0.2 5,-0.2 0.859 105.2 49.3 -43.7 -48.7 82.8 29.5 54.1 148 156 A L H X S+ 0 0 78 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.900 112.4 48.3 -59.3 -46.6 86.3 29.1 52.5 149 157 A Q H X S+ 0 0 64 -4,-0.7 4,-1.6 -5,-0.3 -2,-0.2 0.870 114.7 45.9 -62.3 -40.5 86.4 25.5 53.8 150 158 A M H X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.938 112.2 50.1 -66.5 -48.3 82.9 24.9 52.5 151 159 A Q H X S+ 0 0 53 -4,-3.7 4,-2.5 1,-0.2 5,-0.3 0.889 107.0 56.5 -57.9 -41.0 83.6 26.4 49.2 152 160 A D H X S+ 0 0 87 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.919 108.4 45.3 -62.0 -42.0 86.6 24.3 48.9 153 161 A I H X S+ 0 0 41 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.991 112.6 50.3 -65.9 -52.3 84.8 21.1 49.3 154 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.910 110.7 46.9 -50.6 -54.0 82.0 22.0 47.0 155 163 A L H X S+ 0 0 57 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.914 110.8 52.5 -58.4 -45.2 84.1 23.1 44.1 156 164 A N H X S+ 0 0 83 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.846 112.4 45.1 -59.4 -38.5 86.4 20.0 44.3 157 165 A E H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.921 111.1 51.7 -73.2 -41.5 83.5 17.7 44.2 158 166 A V H X S+ 0 0 7 -4,-2.5 4,-2.1 -5,-0.2 7,-0.2 0.931 110.0 51.7 -58.4 -43.5 81.8 19.4 41.4 159 167 A K H < S+ 0 0 134 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.956 106.6 53.1 -58.6 -51.5 85.0 19.2 39.5 160 168 A K H < S+ 0 0 127 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.902 109.5 46.7 -51.3 -48.2 85.3 15.5 40.1 161 169 A V H < S+ 0 0 49 -4,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.878 134.7 1.0 -64.6 -39.1 82.0 14.7 38.7 162 170 A D >< - 0 0 48 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.3 -0.913 52.3-157.8-154.9 124.6 82.4 16.9 35.7 163 171 A S T 3 S+ 0 0 84 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.667 97.4 63.3 -70.7 -19.8 85.4 19.0 34.6 164 172 A E T 3 S+ 0 0 116 -5,-0.1 -1,-0.3 -6,-0.1 2,-0.2 0.287 78.3 107.2 -86.5 1.0 83.0 20.9 32.6 165 173 A Y < - 0 0 17 -3,-1.3 2,-0.5 -7,-0.2 24,-0.2 -0.506 54.4-153.9 -80.5 154.4 80.9 22.2 35.5 166 174 A I E -B 188 0B 53 22,-1.7 22,-1.5 -2,-0.2 2,-0.4 -0.965 16.6-178.6-130.2 112.9 81.1 25.8 36.5 167 175 A A E -B 187 0B 22 -2,-0.5 2,-0.3 20,-0.2 20,-0.2 -0.870 4.0-178.8-114.5 153.2 80.3 26.5 40.1 168 176 A T E -B 186 0B 28 18,-1.4 18,-3.1 -2,-0.4 2,-0.8 -0.980 21.9-142.9-150.0 133.6 80.2 29.8 41.8 169 177 A V E +B 185 0B 7 -2,-0.3 16,-0.2 16,-0.2 -2,-0.0 -0.855 30.3 179.0-100.1 116.1 79.5 30.9 45.3 170 178 A C + 0 0 2 14,-2.0 3,-0.3 -2,-0.8 14,-0.3 0.121 30.6 78.5 -91.5-151.4 77.6 34.1 45.3 171 179 A G S >> S- 0 0 19 93,-0.4 3,-1.6 1,-0.2 4,-0.8 -0.096 105.3 -44.2 77.7-177.4 76.3 36.2 48.1 172 180 A S T 34 S+ 0 0 29 1,-0.3 3,-0.4 2,-0.2 5,-0.2 0.779 132.4 71.1 -56.6 -28.1 78.1 38.6 50.4 173 181 A F T >4 S+ 0 0 11 -3,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.856 99.8 47.3 -51.9 -40.2 80.7 35.8 50.6 174 182 A R T <4 S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.684 108.0 55.0 -71.4 -32.9 81.5 36.8 47.1 175 183 A R T 3< S- 0 0 63 -4,-0.8 2,-0.6 -3,-0.4 -1,-0.2 0.133 126.7 -94.4 -91.5 18.3 81.6 40.5 47.9 176 184 A G < + 0 0 34 -3,-0.7 -3,-0.1 1,-0.2 147,-0.1 -0.445 65.3 167.2 107.1 -64.0 84.2 40.0 50.7 177 185 A A - 0 0 35 -2,-0.6 -1,-0.2 -5,-0.2 3,-0.1 0.730 39.3-133.8 11.2 133.2 81.9 39.7 53.8 178 186 A E S S+ 0 0 149 -35,-0.1 -34,-2.9 1,-0.1 2,-0.3 0.795 85.2 0.2 -74.8 -27.6 83.2 38.4 57.2 179 187 A S E -A 143 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.915 66.0-157.1-150.3 174.9 80.3 36.1 57.7 180 188 A S E -A 142 0A 3 -38,-2.5 -38,-5.3 -2,-0.3 3,-0.1 -0.954 25.0-126.4-154.2 166.3 77.1 35.0 56.0 181 189 A G S S- 0 0 36 -2,-0.3 65,-0.4 1,-0.2 2,-0.3 0.772 85.7 -11.2 -86.1 -32.4 73.8 33.4 56.7 182 190 A D S S- 0 0 79 63,-0.1 2,-0.6 -40,-0.1 -1,-0.2 -0.991 71.3 -95.0-162.5 160.5 73.9 30.5 54.2 183 191 A M E - c 0 247B 1 63,-2.4 65,-2.3 -2,-0.3 2,-0.5 -0.729 35.1-171.0 -90.0 124.2 75.8 29.0 51.3 184 192 A D E - c 0 248B 32 -2,-0.6 -14,-2.0 -14,-0.3 2,-0.5 -0.902 2.6-171.4-114.7 107.2 74.5 29.9 47.8 185 193 A V E -Bc 169 249B 2 63,-3.2 65,-1.9 -2,-0.5 2,-0.5 -0.800 11.3-155.1-104.8 135.8 75.9 28.1 44.7 186 194 A L E -Bc 168 250B 3 -18,-3.1 -18,-1.4 -2,-0.5 2,-0.4 -0.864 20.7-167.9-100.9 131.2 75.2 29.0 41.1 187 195 A L E +Bc 167 251B 1 63,-3.2 65,-1.8 -2,-0.5 2,-0.3 -0.961 14.2 159.2-127.9 146.2 75.7 26.2 38.8 188 196 A T E -Bc 166 252B 0 -22,-1.5 -22,-1.7 -2,-0.4 3,-0.1 -0.886 15.7-161.8-148.6 175.4 76.0 25.8 35.1 189 197 A H E > - c 0 253B 12 63,-0.6 65,-0.9 3,-0.4 3,-0.7 -0.955 29.1-122.7-162.0 149.8 77.2 23.5 32.4 190 198 A P T 3 S+ 0 0 61 0, 0.0 2,-1.8 0, 0.0 65,-0.1 0.918 111.8 61.8 -61.8 -48.8 78.0 23.9 28.6 191 199 A S T 3 S+ 0 0 65 1,-0.1 2,-0.2 -27,-0.1 -27,-0.0 0.015 98.9 77.0 -70.8 38.6 75.7 21.2 27.8 192 200 A F < + 0 0 17 -2,-1.8 62,-4.3 -3,-0.7 63,-0.4 -0.719 56.5 126.4-158.5 107.4 72.8 23.4 29.3 193 201 A T - 0 0 31 60,-0.3 5,-0.1 -2,-0.2 -5,-0.0 -0.969 64.5 -65.2-156.6 171.4 71.1 26.4 28.0 194 202 A S S S+ 0 0 65 -2,-0.3 -1,-0.0 1,-0.2 62,-0.0 0.592 128.8 21.0 -13.4 -63.6 68.0 28.4 27.0 195 203 A E S S+ 0 0 161 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.944 93.2 107.1 -77.9 -61.7 67.0 26.1 24.2 196 204 A S S S- 0 0 41 1,-0.2 2,-0.7 3,-0.0 -3,-0.1 0.136 79.7-119.1 -26.7 103.7 68.7 22.8 25.1 197 205 A T - 0 0 132 -5,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.432 54.3 -70.4 -64.9 110.4 65.9 20.7 26.3 198 206 A K - 0 0 93 -2,-0.7 -5,-0.1 -3,-0.1 -3,-0.0 0.621 32.5-162.1 30.7 176.9 66.7 19.9 29.9 199 207 A Q > + 0 0 77 25,-0.2 3,-0.6 -7,-0.1 4,-0.4 -0.199 11.3 176.1 168.3 79.3 69.2 17.7 31.7 200 208 A P T >> S+ 0 0 54 0, 0.0 4,-1.6 0, 0.0 3,-1.4 0.836 77.0 69.1 -63.3 -38.7 67.9 17.1 35.2 201 209 A K H 3> S+ 0 0 115 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.846 83.4 76.1 -49.4 -39.4 70.8 14.8 35.9 202 210 A L H <> S+ 0 0 3 -3,-0.6 4,-0.6 1,-0.2 -1,-0.3 0.840 106.8 28.4 -41.4 -50.5 73.0 17.9 35.7 203 211 A L H <> S+ 0 0 0 -3,-1.4 4,-2.2 -4,-0.4 3,-0.4 0.950 119.5 55.0 -77.0 -48.7 71.9 19.0 39.2 204 212 A H H X S+ 0 0 45 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.784 101.7 57.8 -53.9 -40.1 71.1 15.6 40.7 205 213 A Q H X S+ 0 0 67 -4,-3.4 4,-1.7 -5,-0.2 -1,-0.2 0.923 109.8 44.4 -63.3 -41.0 74.6 14.2 40.0 206 214 A V H X S+ 0 0 3 -4,-0.6 4,-2.5 -5,-0.4 5,-0.3 0.959 110.4 52.7 -69.7 -45.6 76.2 16.9 41.9 207 215 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.3 5,-0.2 0.926 108.1 53.5 -51.0 -46.8 73.9 16.7 44.8 208 216 A E H X S+ 0 0 107 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.864 106.7 49.7 -54.1 -46.7 74.5 13.1 45.0 209 217 A Q H X S+ 0 0 30 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.958 106.3 57.4 -61.2 -46.9 78.2 13.5 45.2 210 218 A L H <>S+ 0 0 1 -4,-2.5 6,-2.4 1,-0.3 5,-1.9 0.782 113.2 39.4 -57.1 -26.8 77.9 16.1 47.9 211 219 A Q H ><5S+ 0 0 66 -4,-1.3 3,-0.5 -5,-0.3 -1,-0.3 0.800 107.2 65.6 -92.2 -27.0 76.0 13.6 50.0 212 220 A K H 3<5S+ 0 0 147 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.976 109.9 36.9 -52.3 -61.2 78.3 10.8 48.9 213 221 A V T 3<5S- 0 0 56 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.460 121.3-113.5 -69.1 -6.3 81.1 12.5 50.7 214 222 A H T < 5S+ 0 0 147 -3,-0.5 -3,-0.2 -5,-0.3 18,-0.2 0.672 80.7 123.9 82.3 19.1 78.7 13.6 53.5 215 223 A F < + 0 0 5 -5,-1.9 17,-2.4 -6,-0.3 2,-0.6 0.925 68.7 54.3 -76.2 -42.4 78.8 17.2 52.9 216 224 A I E +D 231 0B 5 -6,-2.4 15,-0.3 15,-0.2 -2,-0.2 -0.825 62.4 176.6 -94.9 129.5 75.1 17.5 52.4 217 225 A T E + 0 0 52 13,-3.4 2,-0.3 -2,-0.6 14,-0.2 0.665 58.7 16.5-102.8 -27.8 73.0 16.1 55.3 218 226 A D E -D 230 0B 25 12,-0.9 12,-1.8 -88,-0.0 2,-0.5 -0.973 61.7-131.1-147.4 158.9 69.4 16.8 54.6 219 227 A T E +D 229 0B 36 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.958 19.0 175.3-115.0 125.4 67.2 17.7 51.7 220 228 A L E S- 0 0 16 8,-2.9 2,-0.3 -2,-0.5 9,-0.2 0.829 79.1 -16.0 -91.6 -45.4 64.7 20.6 52.2 221 229 A S E -D 228 0B 54 7,-2.4 7,-2.8 -94,-0.1 2,-0.5 -0.900 58.9-165.6-164.1 128.7 63.6 20.5 48.6 222 230 A K E +D 227 0B 96 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.974 20.2 162.5-120.8 122.0 65.1 19.0 45.5 223 231 A G - 0 0 32 3,-2.0 -19,-0.1 -2,-0.5 -2,-0.0 -0.440 54.4 -89.0-121.5-164.4 63.7 20.1 42.1 224 232 A E S S+ 0 0 92 -2,-0.2 -21,-0.3 1,-0.1 -25,-0.2 0.561 122.6 12.2 -93.2 1.9 65.1 19.8 38.7 225 233 A T S S+ 0 0 53 1,-0.3 26,-2.1 -22,-0.1 2,-0.4 0.394 122.6 56.7-147.5 -6.5 66.9 23.0 38.9 226 234 A K E - E 0 250B 101 24,-0.2 -3,-2.0 2,-0.0 2,-0.4 -0.990 54.5-169.4-139.3 126.9 66.9 24.1 42.5 227 235 A F E -DE 222 249B 0 22,-3.1 22,-1.7 -2,-0.4 2,-0.4 -0.939 0.9-171.5-115.2 140.2 68.2 22.3 45.4 228 236 A M E +DE 221 248B 37 -7,-2.8 -8,-2.9 -2,-0.4 -7,-2.4 -0.963 32.6 129.5-129.9 107.6 67.5 23.4 49.0 229 237 A G E -DE 219 247B 0 18,-3.3 18,-2.2 -2,-0.4 2,-0.3 -0.575 50.0 -96.5-140.0-158.0 69.4 21.5 51.6 230 238 A V E -DE 218 246B 0 -12,-1.8 -13,-3.4 16,-0.2 -12,-0.9 -0.988 33.0-177.4-132.9 135.7 71.7 21.3 54.7 231 239 A C E -DE 216 245B 0 14,-2.5 14,-2.2 -2,-0.3 2,-0.3 -0.857 8.7-157.2-134.1 173.6 75.4 20.7 54.9 232 240 A Q - 0 0 25 -17,-2.4 12,-0.1 -2,-0.3 3,-0.1 -0.872 21.6-128.3-164.0 127.8 78.2 20.2 57.3 233 241 A L - 0 0 5 10,-0.3 9,-0.7 -2,-0.3 3,-0.1 -0.566 50.6-104.4 -69.2 115.9 81.9 20.6 57.5 234 242 A P - 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.083 33.1-112.6 -45.8 131.7 83.1 17.3 58.8 235 243 A S - 0 0 24 1,-0.2 3,-0.4 7,-0.1 6,-0.2 -0.696 33.0-146.6 -77.6 117.2 84.1 17.5 62.3 236 244 A K S S- 0 0 116 -2,-0.6 2,-0.8 4,-0.4 -1,-0.2 0.964 71.6 -5.4 -43.4-103.8 87.8 17.1 62.3 237 245 A N S S- 0 0 140 3,-0.1 3,-0.2 1,-0.0 -1,-0.2 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