==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-JAN-06 2FMS . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,J.M.KRAHN,L.C.PEDERSEN, . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 3 0.9 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 . 15 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 3 0 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 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 . 3 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 10 A T > 0 0 177 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 42.4 9.4 -15.4 11.7 2 11 A L T 3 + 0 0 106 1,-0.3 3,-0.2 36,-0.2 36,-0.1 0.809 360.0 28.7 -65.4 -32.4 11.3 -17.9 9.5 3 12 A N T 3> S+ 0 0 17 1,-0.1 4,-2.3 35,-0.1 5,-0.3 -0.204 78.2 135.7-123.0 40.2 14.5 -15.9 9.9 4 13 A G H <> S+ 0 0 21 -3,-1.1 4,-2.0 1,-0.2 5,-0.2 0.841 70.1 56.6 -57.5 -37.6 13.9 -14.3 13.3 5 14 A G H > S+ 0 0 36 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 111.0 43.9 -61.9 -43.9 17.4 -15.0 14.4 6 15 A I H > S+ 0 0 4 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.913 113.6 47.3 -68.9 -45.1 18.9 -13.1 11.5 7 16 A T H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.854 110.0 54.8 -68.3 -30.6 16.6 -10.1 11.5 8 17 A D H X S+ 0 0 108 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.947 108.5 49.3 -64.1 -45.9 17.1 -9.7 15.3 9 18 A M H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.946 111.8 47.2 -56.4 -52.6 20.9 -9.6 14.7 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.879 110.9 52.8 -58.7 -38.3 20.6 -7.0 12.0 11 20 A T H X S+ 0 0 61 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.900 109.2 48.7 -65.8 -39.1 18.2 -5.0 14.3 12 21 A E H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.910 112.3 48.6 -66.6 -41.4 20.7 -5.1 17.1 13 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.930 110.6 51.6 -63.2 -43.5 23.5 -4.0 14.8 14 23 A A H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.945 110.0 48.8 -57.8 -49.2 21.3 -1.2 13.5 15 24 A N H X S+ 0 0 65 -4,-2.6 4,-2.7 1,-0.2 5,-0.5 0.874 109.6 53.0 -60.3 -36.5 20.6 -0.0 17.0 16 25 A F H X>S+ 0 0 24 -4,-2.2 5,-2.0 1,-0.2 4,-1.9 0.925 108.7 48.5 -65.1 -44.2 24.3 -0.1 17.8 17 26 A E H <5S+ 0 0 10 -4,-2.5 6,-3.5 3,-0.2 5,-0.5 0.860 118.4 41.0 -64.7 -34.9 25.2 2.1 14.8 18 27 A K H <5S+ 0 0 79 -4,-2.1 -2,-0.2 4,-0.2 4,-0.2 0.966 124.3 32.2 -77.2 -55.1 22.5 4.6 15.6 19 28 A N H <5S+ 0 0 12 -4,-2.7 84,-0.2 -5,-0.2 -3,-0.2 0.904 135.4 19.1 -71.0 -44.5 22.8 4.8 19.4 20 29 A V T <5S+ 0 0 11 -4,-1.9 -3,-0.2 -5,-0.5 -4,-0.1 0.893 132.3 34.6 -95.8 -51.1 26.5 4.2 19.9 21 30 A S S > + 0 0 29 -6,-3.5 4,-2.0 1,-0.2 3,-0.5 -0.790 25.5 179.3-115.3 82.5 26.3 6.4 12.1 24 33 A I H 3> S+ 0 0 76 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.809 75.6 54.7 -57.7 -36.3 22.7 6.9 10.7 25 34 A H H 3> S+ 0 0 157 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 109.7 47.4 -69.1 -34.0 23.3 5.5 7.2 26 35 A K H <> S+ 0 0 119 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.878 109.3 56.1 -70.9 -36.8 24.7 2.3 8.6 27 36 A Y H X S+ 0 0 32 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.950 111.5 41.6 -57.4 -50.8 21.6 2.2 10.9 28 37 A N H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.788 110.2 58.6 -69.5 -27.2 19.3 2.5 7.9 29 38 A A H X S+ 0 0 51 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.953 108.9 44.4 -66.3 -47.6 21.4 -0.0 5.9 30 39 A Y H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.875 113.4 50.9 -63.9 -37.9 20.9 -2.7 8.6 31 40 A R H X S+ 0 0 40 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.901 109.6 49.5 -67.3 -41.0 17.2 -1.9 8.9 32 41 A K H X S+ 0 0 110 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.943 112.3 48.6 -62.4 -46.6 16.6 -2.2 5.2 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 22,-0.3 -2,-0.2 0.918 112.4 47.9 -59.5 -44.5 18.4 -5.5 5.2 34 43 A A H X S+ 0 0 8 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.881 112.5 50.6 -63.9 -38.0 16.4 -6.7 8.1 35 44 A S H X S+ 0 0 9 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.908 109.9 47.5 -67.2 -44.3 13.2 -5.6 6.4 36 45 A V H < S+ 0 0 19 -4,-2.7 4,-0.4 1,-0.2 3,-0.3 0.885 115.1 46.4 -66.9 -35.9 13.9 -7.3 3.1 37 46 A I H >< S+ 0 0 1 -4,-2.0 3,-0.6 -5,-0.2 -1,-0.2 0.814 102.9 65.1 -75.0 -29.3 14.8 -10.5 4.9 38 47 A A H 3< S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -36,-0.2 0.805 108.6 38.8 -64.3 -29.1 11.7 -10.3 7.1 39 48 A K T 3< S+ 0 0 123 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.481 85.6 116.3 -99.6 -3.0 9.4 -10.7 4.1 40 49 A Y < - 0 0 47 -3,-0.6 -38,-0.2 -4,-0.4 4,-0.1 -0.537 62.8-143.9 -66.5 120.6 11.6 -13.3 2.3 41 50 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.171 69.8 73.6 -76.5 19.2 9.4 -16.4 2.3 42 51 A H S S- 0 0 105 -39,-0.0 2,-1.0 0, 0.0 -2,-0.1 -0.968 86.8-108.7-134.3 150.8 12.2 -19.0 2.8 43 52 A K - 0 0 157 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.660 48.9-121.6 -75.9 106.0 14.3 -20.1 5.7 44 53 A I - 0 0 6 -2,-1.0 3,-0.1 1,-0.1 -1,-0.1 -0.236 28.9-173.2 -54.5 130.4 17.7 -18.6 4.6 45 54 A K + 0 0 171 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.574 62.7 0.9-101.6 -14.6 20.4 -21.3 4.3 46 55 A S > - 0 0 37 1,-0.1 4,-2.0 22,-0.0 -1,-0.2 -0.994 66.5-105.2-167.5 164.8 23.4 -19.0 3.6 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.803 118.3 57.6 -65.7 -29.8 24.8 -15.5 3.3 48 57 A A H > S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.952 105.5 49.3 -64.9 -48.7 25.1 -16.0 -0.5 49 58 A E H >4 S+ 0 0 31 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.918 114.6 46.4 -54.9 -45.1 21.3 -16.8 -0.6 50 59 A A H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.868 101.4 64.5 -66.5 -38.3 20.8 -13.6 1.4 51 60 A K H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 5,-0.2 0.741 88.4 70.8 -59.6 -21.3 23.1 -11.5 -0.8 52 61 A K T << S+ 0 0 182 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.761 84.2 87.5 -66.4 -22.8 20.7 -12.1 -3.7 53 62 A L S X S- 0 0 26 -3,-2.2 3,-1.8 -4,-0.3 2,-0.3 -0.563 92.2-107.1 -81.1 140.7 18.3 -9.8 -1.9 54 63 A P T 3 S+ 0 0 101 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.503 107.2 30.6 -68.2 122.6 18.5 -6.0 -2.5 55 64 A G T 3 S+ 0 0 39 -2,-0.3 2,-0.7 1,-0.2 -22,-0.3 0.177 94.6 103.0 112.7 -16.0 20.0 -4.3 0.5 56 65 A V < + 0 0 8 -3,-1.8 -1,-0.2 -6,-0.2 2,-0.1 -0.893 50.1 175.1-104.0 111.7 22.1 -7.3 1.6 57 66 A G > - 0 0 35 -2,-0.7 4,-1.8 -3,-0.1 5,-0.1 -0.166 47.6 -78.6 -99.7-164.0 25.7 -6.7 0.7 58 67 A T H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.940 125.1 52.6 -63.2 -50.9 29.0 -8.6 1.3 59 68 A K H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 113.6 42.6 -53.7 -49.3 29.5 -7.5 4.9 60 69 A I H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 110.7 57.2 -68.2 -31.9 26.0 -8.6 5.9 61 70 A A H X S+ 0 0 8 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.913 106.9 48.7 -64.3 -42.2 26.3 -11.8 3.9 62 71 A E H X S+ 0 0 119 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 110.8 50.4 -64.4 -40.2 29.4 -12.7 5.9 63 72 A K H X S+ 0 0 29 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.889 107.5 53.5 -65.8 -38.6 27.7 -11.9 9.2 64 73 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.845 108.9 49.9 -65.2 -33.1 24.7 -14.1 8.2 65 74 A D H X S+ 0 0 73 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.930 110.7 48.6 -70.1 -45.1 27.1 -17.0 7.6 66 75 A E H X>S+ 0 0 41 -4,-2.3 4,-2.6 1,-0.2 5,-0.6 0.936 114.1 48.1 -58.7 -45.0 28.8 -16.5 10.9 67 76 A F H X5S+ 0 0 42 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.898 110.2 49.7 -63.3 -44.1 25.4 -16.4 12.6 68 77 A L H <5S+ 0 0 73 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.863 116.8 42.7 -64.3 -35.7 24.1 -19.5 10.8 69 78 A A H <5S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.957 131.9 17.9 -75.8 -54.4 27.2 -21.5 11.8 70 79 A T H <5S- 0 0 84 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.713 95.1-124.1 -92.6 -24.6 27.7 -20.5 15.4 71 80 A G S < - 0 0 3 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.985 9.6-153.2-126.7 121.4 27.9 -12.8 16.2 74 83 A R H > S+ 0 0 167 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.892 97.8 59.5 -57.4 -41.7 31.3 -12.1 17.8 75 84 A K H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.880 112.0 39.2 -55.5 -40.3 30.9 -8.4 17.0 76 85 A L H > S+ 0 0 4 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.840 108.5 61.1 -79.6 -34.2 27.7 -8.3 19.0 77 86 A E H X S+ 0 0 80 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.920 110.0 43.5 -56.6 -42.9 29.0 -10.5 21.7 78 87 A K H X S+ 0 0 158 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.906 110.3 53.6 -69.2 -44.2 31.7 -7.9 22.4 79 88 A I H >< S+ 0 0 18 -4,-1.5 3,-1.0 1,-0.2 7,-0.3 0.915 108.1 52.0 -58.0 -41.9 29.3 -5.0 22.1 80 89 A R H 3< S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.3 50.6 -61.9 -37.5 27.1 -6.6 24.8 81 90 A Q H 3< S+ 0 0 162 -4,-1.3 2,-0.8 -5,-0.2 -1,-0.3 0.543 89.5 99.1 -78.7 -7.6 30.1 -7.0 27.1 82 91 A D S+ 0 0 126 -2,-0.8 4,-3.1 2,-0.2 5,-0.2 0.904 90.9 46.5 -47.4 -56.6 29.8 -1.2 29.6 84 93 A T H > S+ 0 0 58 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.963 115.7 43.8 -54.7 -58.7 29.8 2.1 27.7 85 94 A S H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 116.0 49.6 -53.2 -45.8 28.0 0.8 24.6 86 95 A S H X S+ 0 0 45 -4,-3.1 4,-2.0 -7,-0.3 -1,-0.2 0.902 112.7 46.3 -61.2 -44.0 25.6 -1.2 26.8 87 96 A S H X S+ 0 0 16 -4,-3.1 4,-2.7 -5,-0.3 5,-0.2 0.938 113.7 48.4 -64.9 -47.6 24.8 1.9 29.0 88 97 A I H X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.915 110.8 50.0 -61.0 -44.5 24.4 4.2 26.0 89 98 A N H < S+ 0 0 38 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.922 112.9 49.2 -60.2 -42.5 22.1 1.7 24.2 90 99 A F H >< S+ 0 0 50 -4,-2.0 3,-2.5 -5,-0.2 4,-0.2 0.953 106.4 51.8 -62.3 -54.5 20.0 1.5 27.3 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.822 100.5 64.5 -54.7 -32.4 19.6 5.2 28.1 92 101 A T T 3< S+ 0 0 25 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.622 85.7 74.5 -68.0 -9.7 18.3 5.8 24.5 93 102 A R T < S+ 0 0 123 -3,-2.5 2,-0.5 -4,-0.3 -1,-0.3 0.597 77.6 90.1 -77.4 -10.1 15.4 3.5 25.4 94 103 A V S X S- 0 0 2 -3,-1.9 3,-2.2 -4,-0.2 37,-0.1 -0.765 92.2-113.5 -86.9 127.9 14.0 6.5 27.4 95 104 A S T 3 S+ 0 0 37 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.402 104.0 27.0 -60.7 130.8 11.8 8.7 25.3 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.6 -4,-0.2 31,-0.3 0.172 98.8 99.8 102.0 -20.2 13.5 12.0 24.9 97 106 A I < + 0 0 7 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.908 50.9 177.3-103.4 119.6 17.0 10.7 25.3 98 107 A G > - 0 0 28 -2,-0.6 4,-2.8 -3,-0.1 5,-0.2 -0.419 49.3 -77.9-107.4-171.7 18.9 10.2 22.1 99 108 A P H > S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.865 129.0 48.5 -54.6 -41.8 22.4 9.0 21.2 100 109 A S H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.969 115.5 40.6 -65.6 -55.2 23.9 12.4 22.1 101 110 A A H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 114.0 56.0 -62.9 -34.8 22.2 12.9 25.4 102 111 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.961 110.2 42.8 -62.6 -50.9 22.8 9.2 26.2 103 112 A R H X S+ 0 0 84 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.849 113.1 55.1 -63.4 -34.4 26.6 9.5 25.7 104 113 A K H X S+ 0 0 123 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.929 111.5 42.6 -64.3 -47.2 26.5 12.8 27.6 105 114 A F H ><>S+ 0 0 12 -4,-2.6 5,-2.0 1,-0.2 3,-0.8 0.919 111.8 53.8 -66.2 -44.1 24.8 11.2 30.7 106 115 A V H ><5S+ 0 0 7 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.847 104.6 56.1 -59.7 -33.3 27.1 8.1 30.5 107 116 A D H 3<5S+ 0 0 117 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.796 106.3 51.5 -67.9 -27.5 30.1 10.5 30.6 108 117 A E T <<5S- 0 0 92 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.450 123.6-105.2 -87.1 -2.8 28.7 11.9 33.8 109 118 A G T < 5S+ 0 0 39 -3,-1.1 2,-1.1 -4,-0.4 -3,-0.2 0.385 82.4 129.9 94.7 -5.3 28.3 8.5 35.4 110 119 A I < + 0 0 8 -5,-2.0 -1,-0.3 1,-0.2 -2,-0.2 -0.738 21.1 131.7 -84.4 99.0 24.6 8.4 34.9 111 120 A K + 0 0 72 -2,-1.1 2,-0.3 -3,-0.1 -1,-0.2 0.386 48.1 62.9-133.9 4.2 24.1 5.1 33.3 112 121 A T S > S- 0 0 55 -3,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.825 83.4-110.0-127.1 167.9 21.3 3.2 35.1 113 122 A L H > S+ 0 0 42 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.889 121.9 53.9 -61.8 -38.2 17.6 3.7 35.7 114 123 A E H > S+ 0 0 143 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 106.6 51.2 -62.1 -44.2 18.4 4.4 39.3 115 124 A D H > S+ 0 0 28 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.896 108.8 51.7 -60.7 -41.9 20.9 7.0 38.3 116 125 A L H < S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.914 107.8 51.1 -61.9 -45.0 18.3 8.7 36.1 117 126 A R H >< S+ 0 0 154 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.851 111.4 46.8 -62.6 -36.4 15.7 8.9 38.9 118 127 A K H 3< S+ 0 0 138 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.711 116.2 45.7 -79.1 -20.3 18.1 10.5 41.3 119 128 A N T >< + 0 0 33 -4,-1.2 3,-3.3 -3,-0.3 -1,-0.2 0.016 69.0 133.4-110.4 25.6 19.3 13.0 38.7 120 129 A E G X + 0 0 89 -3,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.767 64.4 68.9 -46.0 -31.0 15.8 13.9 37.5 121 130 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.727 91.3 60.6 -64.6 -20.9 16.8 17.6 37.7 122 131 A K G < S+ 0 0 89 -3,-3.3 2,-0.3 -6,-0.2 -1,-0.3 0.369 91.5 88.2 -88.3 6.5 19.2 17.0 34.7 123 132 A L S < S- 0 0 11 -3,-1.8 2,-0.0 -4,-0.2 -26,-0.0 -0.786 72.9-129.5-106.5 147.1 16.4 16.0 32.4 124 133 A N > - 0 0 85 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.270 43.8 -87.7 -80.9 179.2 14.2 18.2 30.2 125 134 A H H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.933 126.9 46.7 -53.4 -53.5 10.4 17.9 30.3 126 135 A H H > S+ 0 0 39 1,-0.2 4,-2.8 93,-0.2 -1,-0.2 0.926 112.9 48.1 -55.8 -51.2 10.2 15.1 27.7 127 136 A Q H > S+ 0 0 15 -31,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.880 109.3 55.4 -59.7 -38.0 13.0 13.0 29.2 128 137 A R H X S+ 0 0 93 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.891 110.8 43.4 -62.9 -40.5 11.3 13.4 32.6 129 138 A I H X S+ 0 0 11 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 111.7 54.1 -72.6 -39.9 8.0 12.0 31.3 130 139 A G H < S+ 0 0 1 -4,-2.8 -35,-0.2 -35,-0.4 -2,-0.2 0.898 111.4 45.5 -59.9 -39.3 9.8 9.3 29.4 131 140 A L H >< S+ 0 0 9 -4,-2.4 3,-1.6 -5,-0.2 4,-0.3 0.930 108.5 57.7 -68.1 -44.0 11.5 8.2 32.6 132 141 A K H 3< S+ 0 0 128 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.877 119.7 28.2 -53.2 -44.3 8.3 8.4 34.5 133 142 A Y T 3X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 0.057 81.4 129.2-108.1 24.7 6.5 5.9 32.3 134 143 A F T <4 S+ 0 0 29 -3,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.892 77.2 43.3 -44.9 -51.8 9.6 4.0 31.2 135 144 A G T >> S+ 0 0 40 -4,-0.3 3,-1.6 -3,-0.2 4,-0.7 0.963 114.6 47.4 -62.0 -54.2 8.0 0.6 32.1 136 145 A D G >4 S+ 0 0 37 1,-0.3 3,-1.7 2,-0.2 -2,-0.2 0.907 105.9 58.2 -54.8 -46.1 4.6 1.3 30.6 137 146 A F G 3< S+ 0 0 46 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.632 100.4 60.6 -61.8 -12.8 6.0 2.6 27.3 138 147 A E G <4 S+ 0 0 94 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.714 88.8 87.8 -85.6 -23.8 7.8 -0.7 26.9 139 148 A K S << S- 0 0 100 -3,-1.7 2,-0.1 -4,-0.7 -3,-0.0 -0.435 78.4-122.4 -77.5 150.7 4.5 -2.7 26.9 140 149 A R - 0 0 138 -2,-0.1 40,-0.2 104,-0.0 -1,-0.1 -0.471 19.9-122.0 -86.1 163.0 2.6 -3.3 23.7 141 150 A I E -A 179 0A 1 38,-2.3 38,-2.3 -2,-0.1 40,-0.1 -0.928 23.7-130.8-109.1 114.8 -1.0 -2.3 23.2 142 151 A P E >> -A 178 0A 58 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.352 21.3-119.5 -61.2 147.0 -3.4 -5.1 22.4 143 152 A R H 3> S+ 0 0 62 34,-2.4 4,-2.4 1,-0.3 5,-0.2 0.861 113.8 61.7 -56.9 -33.8 -5.6 -4.3 19.4 144 153 A E H 3> S+ 0 0 152 33,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.856 105.5 45.6 -61.4 -35.1 -8.6 -4.7 21.7 145 154 A E H <> S+ 0 0 30 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.848 108.6 57.2 -74.5 -34.1 -7.4 -1.9 23.9 146 155 A M H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.904 103.9 52.9 -61.1 -41.6 -6.7 0.2 20.7 147 156 A L H X S+ 0 0 74 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.883 109.1 49.7 -61.8 -38.8 -10.3 -0.2 19.7 148 157 A Q H X S+ 0 0 69 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.916 111.6 47.6 -64.1 -46.3 -11.4 1.1 23.1 149 158 A M H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.893 108.7 55.9 -63.2 -39.6 -9.1 4.1 22.8 150 159 A Q H X S+ 0 0 44 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.925 106.2 49.6 -58.6 -47.0 -10.4 4.7 19.3 151 160 A D H X S+ 0 0 93 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.906 111.4 49.9 -60.2 -42.3 -14.0 5.0 20.5 152 161 A I H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.956 114.8 42.6 -61.7 -51.3 -12.9 7.4 23.2 153 162 A V H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.919 115.4 46.6 -65.0 -46.7 -11.0 9.7 20.9 154 163 A L H X S+ 0 0 61 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.919 116.6 46.0 -63.3 -40.4 -13.5 9.7 18.0 155 164 A N H X S+ 0 0 71 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.845 113.3 47.7 -71.4 -33.7 -16.4 10.3 20.4 156 165 A E H X S+ 0 0 19 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.841 112.6 49.6 -75.9 -32.0 -14.6 13.1 22.4 157 166 A V H >X S+ 0 0 4 -4,-2.1 4,-1.9 -5,-0.2 3,-1.0 0.913 107.2 54.5 -70.5 -42.1 -13.6 14.8 19.2 158 167 A K H 3< S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.881 104.7 56.2 -58.0 -37.3 -17.1 14.6 17.9 159 168 A K H 3< S+ 0 0 139 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.739 105.7 50.3 -67.8 -24.6 -18.2 16.4 21.1 160 169 A V H << S- 0 0 42 -3,-1.0 2,-0.2 -4,-0.7 -1,-0.2 0.882 137.1 -17.2 -80.0 -40.2 -15.9 19.3 20.4 161 170 A D >< - 0 0 41 -4,-1.9 3,-2.1 3,-0.0 -1,-0.3 -0.764 53.5-140.6-169.5 119.0 -17.1 19.8 16.9 162 171 A S T 3 S+ 0 0 101 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.664 100.1 65.6 -56.2 -19.1 -19.1 17.4 14.6 163 172 A E T 3 S+ 0 0 110 -5,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.629 77.6 101.5 -83.1 -12.0 -17.0 18.5 11.7 164 173 A Y < - 0 0 14 -3,-2.1 2,-0.4 -7,-0.2 24,-0.2 -0.372 56.9-157.5 -68.3 149.6 -13.7 17.1 12.9 165 174 A I E -B 187 0B 76 22,-2.2 22,-1.5 -2,-0.1 2,-0.6 -0.967 6.7-169.6-132.3 115.4 -12.6 13.8 11.5 166 175 A A E -B 186 0B 14 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.934 4.1-174.5-110.2 121.8 -10.2 11.7 13.5 167 176 A T E -B 185 0B 27 18,-2.6 18,-3.5 -2,-0.6 2,-0.6 -0.960 20.5-136.8-117.2 129.0 -8.6 8.7 11.9 168 177 A V E +B 184 0B 6 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.746 37.5 162.8 -85.5 119.9 -6.4 6.2 13.7 169 178 A C >> + 0 0 1 14,-2.9 4,-1.2 -2,-0.6 3,-0.8 0.158 26.9 74.0-109.8-134.6 -3.3 5.4 11.6 170 179 A G H >> S- 0 0 6 93,-2.4 4,-1.2 1,-0.2 3,-0.7 -0.110 114.5 -23.2 56.1-156.0 0.1 3.9 12.2 171 180 A S H 34>S+ 0 0 18 1,-0.2 5,-2.4 2,-0.2 -1,-0.2 0.775 135.6 65.7 -57.8 -28.8 0.3 0.1 12.8 172 181 A F H X45S+ 0 0 12 -3,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.938 102.3 45.6 -60.3 -47.1 -3.3 0.1 13.9 173 182 A R H <<5S+ 0 0 65 -4,-1.2 -1,-0.2 -3,-0.7 149,-0.2 0.785 105.7 62.1 -67.0 -26.2 -4.5 1.1 10.4 174 183 A R T 3<5S- 0 0 46 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.408 122.0-108.6 -79.0 3.1 -2.1 -1.5 9.0 175 184 A G T < 5 + 0 0 38 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.628 55.6 171.7 81.4 15.3 -4.2 -4.1 10.9 176 185 A A < - 0 0 28 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.265 35.8-141.1 -60.5 141.1 -1.6 -5.0 13.6 177 186 A E S S+ 0 0 145 1,-0.2 -34,-2.4 -35,-0.1 2,-0.3 0.620 91.0 20.2 -77.1 -13.3 -2.8 -7.2 16.5 178 187 A S E S-A 142 0A 39 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.979 74.0-156.4-152.9 145.2 -0.7 -5.0 18.8 179 188 A S E -A 141 0A 0 -38,-2.3 -38,-2.3 -2,-0.3 3,-0.1 -0.922 23.4-139.0-128.0 152.5 0.7 -1.5 18.6 180 189 A G S S- 0 0 42 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.819 86.9 -24.5 -73.8 -30.0 3.5 0.5 20.2 181 190 A D S S- 0 0 28 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.889 72.4 -85.9-161.0-172.3 1.3 3.5 20.5 182 191 A M E - c 0 246B 0 63,-1.8 65,-2.7 -2,-0.3 2,-0.5 -0.968 32.5-166.2-116.1 125.9 -1.8 5.3 19.1 183 192 A D E - c 0 247B 19 -2,-0.5 -14,-2.9 -14,-0.4 2,-0.5 -0.957 6.9-168.5-114.4 121.7 -1.4 7.6 16.1 184 193 A V E -Bc 168 248B 2 63,-3.3 65,-2.8 -2,-0.5 2,-0.4 -0.936 10.9-157.4-119.0 120.6 -4.3 9.9 15.3 185 194 A L E -Bc 167 249B 1 -18,-3.5 -18,-2.6 -2,-0.5 2,-0.4 -0.764 18.9-163.7 -90.3 134.6 -4.7 12.0 12.1 186 195 A L E +Bc 166 250B 0 63,-3.2 65,-2.5 -2,-0.4 2,-0.3 -0.961 12.3 174.8-125.2 140.2 -7.0 14.9 12.6 187 196 A T E -B 165 0B 2 -22,-1.5 -22,-2.2 -2,-0.4 5,-0.1 -0.978 6.8-179.5-139.5 153.9 -8.8 17.1 10.1 188 197 A H > - 0 0 0 3,-0.4 3,-2.5 63,-0.4 65,-0.5 -0.964 35.6-124.2-151.3 133.1 -11.3 20.0 10.2 189 198 A P T 3 S+ 0 0 46 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.757 107.8 66.1 -51.4 -25.0 -12.8 21.9 7.3 190 199 A S T 3 S+ 0 0 17 1,-0.2 7,-2.7 6,-0.1 2,-0.6 0.597 94.6 64.4 -74.8 -9.4 -11.6 25.2 8.8 191 200 A F E < +F 196 0C 27 -3,-2.5 62,-2.4 5,-0.2 -3,-0.4 -0.899 66.3 143.1-120.9 102.9 -7.9 24.2 8.3 192 201 A T E > -F 195 0C 37 3,-2.7 3,-0.7 -2,-0.6 -2,-0.0 -0.725 66.3 -97.4-127.1 177.2 -6.9 23.8 4.6 193 202 A S T 3 S+ 0 0 63 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.709 124.6 56.1 -68.5 -18.9 -3.8 24.5 2.5 194 203 A E T 3 S- 0 0 163 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.685 121.7 -26.0 -86.9 -21.4 -5.6 27.7 1.6 195 204 A S E < -F 192 0C 46 -3,-0.7 -3,-2.7 3,-0.0 2,-0.6 -0.953 43.2-120.3 177.2 162.2 -6.2 29.1 5.1 196 205 A T E +F 191 0C 87 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.896 29.6 171.8-119.0 94.6 -6.7 28.6 8.8 197 206 A K + 0 0 161 -7,-2.7 -6,-0.1 -2,-0.6 -1,-0.1 0.648 68.4 46.8 -78.5 -16.5 -10.1 30.0 9.6 198 207 A Q S S- 0 0 61 -8,-0.6 3,-0.5 -3,-0.1 2,-0.2 -0.992 72.8-148.2-132.4 132.5 -10.0 28.7 13.1 199 208 A P S S+ 0 0 91 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.517 78.8 27.5 -92.1 163.4 -7.2 28.9 15.8 200 209 A K S > S+ 0 0 145 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 0.721 70.1 149.0 60.8 22.2 -6.5 26.3 18.5 201 210 A L H > S+ 0 0 5 -3,-0.5 4,-0.9 1,-0.2 -1,-0.1 0.898 79.1 34.1 -53.5 -41.9 -7.9 23.6 16.3 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.887 114.4 59.4 -79.8 -40.5 -5.5 21.1 17.9 203 212 A H H > S+ 0 0 72 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.918 102.3 52.4 -53.4 -50.1 -5.5 22.7 21.3 204 213 A Q H X S+ 0 0 70 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.899 110.2 47.9 -55.4 -45.4 -9.3 22.3 21.8 205 214 A V H X S+ 0 0 2 -4,-0.9 4,-2.4 -5,-0.3 -1,-0.2 0.936 113.6 47.0 -61.9 -47.2 -9.1 18.6 21.0 206 215 A V H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.942 111.4 53.3 -58.0 -47.1 -6.2 18.1 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