==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 07-MAY-13 4KLI . COMPND 2 MOLECULE: 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,D.D.SHOCK,S.H.WILSON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17618.0 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 . 31 9.5 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 . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.3 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 2 1 1 1 2 3 0 1 0 1 1 0 2 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 . 2 1 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 . 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 10 A T > 0 0 176 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 67.3 9.2 -15.3 11.7 2 11 A L T 3 + 0 0 107 1,-0.2 3,-0.1 36,-0.2 36,-0.1 0.771 360.0 29.9 -65.8 -29.5 11.2 -17.7 9.5 3 12 A N T 3> S+ 0 0 16 35,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.085 76.6 134.1-126.1 33.2 14.3 -15.6 9.8 4 13 A G H <> + 0 0 19 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 0.787 69.8 57.1 -57.9 -35.1 13.9 -14.0 13.3 5 14 A G H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 111.1 43.5 -60.5 -48.8 17.4 -14.7 14.4 6 15 A I H > S+ 0 0 5 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.926 114.4 47.9 -62.8 -47.4 18.8 -12.8 11.5 7 16 A T H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.896 110.5 52.5 -67.2 -35.9 16.4 -9.9 11.7 8 17 A D H X S+ 0 0 110 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.931 109.5 50.8 -59.3 -45.1 17.0 -9.6 15.4 9 18 A M H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.919 111.7 46.1 -58.8 -45.5 20.8 -9.4 14.8 10 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.875 111.0 52.4 -70.5 -34.9 20.4 -6.7 12.1 11 20 A T H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.902 108.8 50.4 -66.3 -40.0 18.1 -4.7 14.3 12 21 A E H X S+ 0 0 66 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.899 112.0 47.7 -64.3 -39.5 20.6 -4.8 17.2 13 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 109.8 53.3 -64.1 -44.7 23.3 -3.7 14.8 14 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.923 109.2 48.6 -55.3 -47.2 21.0 -0.9 13.5 15 24 A N H X S+ 0 0 66 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.882 109.3 52.3 -64.0 -38.9 20.4 0.3 17.1 16 25 A F H X>S+ 0 0 24 -4,-1.9 4,-2.1 2,-0.2 5,-2.1 0.924 110.1 49.0 -60.2 -45.7 24.1 0.3 17.9 17 26 A E H <>S+ 0 0 9 -4,-2.5 6,-3.0 3,-0.2 5,-0.6 0.913 117.9 40.2 -63.8 -39.9 24.8 2.4 14.8 18 27 A K H <5S+ 0 0 77 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.954 125.6 32.3 -70.8 -49.9 22.1 4.9 15.7 19 28 A N H <5S+ 0 0 14 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.879 134.0 18.9 -82.2 -40.5 22.7 5.1 19.4 20 29 A V T <5S+ 0 0 13 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.890 131.6 35.4 -98.9 -54.1 26.4 4.6 19.9 21 30 A S T + 0 0 28 -6,-3.0 4,-2.1 1,-0.1 3,-0.5 -0.808 25.2 179.8-121.0 86.8 25.7 6.8 12.0 24 33 A I H > S+ 0 0 82 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.769 78.1 53.7 -66.6 -28.6 22.2 7.3 10.7 25 34 A H H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.848 109.6 48.4 -76.8 -30.0 22.8 5.9 7.2 26 35 A K H > S+ 0 0 121 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.887 110.0 53.7 -70.5 -40.0 24.1 2.7 8.6 27 36 A Y H X S+ 0 0 30 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.949 111.5 44.3 -56.3 -49.4 21.1 2.6 10.9 28 37 A N H X S+ 0 0 37 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.887 111.8 54.0 -66.8 -36.8 18.8 2.9 7.9 29 38 A A H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.938 110.3 45.7 -60.2 -49.6 20.8 0.4 5.9 30 39 A Y H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.912 113.9 49.0 -62.0 -41.0 20.5 -2.3 8.7 31 40 A R H X S+ 0 0 57 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.867 109.9 51.8 -68.4 -34.6 16.8 -1.6 9.1 32 41 A K H X S+ 0 0 96 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.920 111.5 47.1 -66.0 -43.2 16.2 -1.8 5.4 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 22,-0.3 -2,-0.2 0.901 111.3 50.8 -62.8 -42.9 18.0 -5.2 5.2 34 43 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.911 111.4 49.6 -61.9 -40.5 16.1 -6.5 8.3 35 44 A S H X S+ 0 0 11 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.919 110.7 46.9 -65.8 -46.2 12.8 -5.5 6.7 36 45 A V H X S+ 0 0 13 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.897 115.1 47.8 -67.2 -35.5 13.5 -7.1 3.3 37 46 A I H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.877 104.9 60.4 -69.3 -36.5 14.6 -10.3 5.1 38 47 A A H < S+ 0 0 72 -4,-2.3 -36,-0.2 1,-0.2 -1,-0.2 0.809 108.8 42.6 -61.2 -31.0 11.5 -10.3 7.3 39 48 A K H < S+ 0 0 130 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.669 85.1 111.3 -91.6 -17.1 9.2 -10.5 4.3 40 49 A Y < - 0 0 49 -4,-0.9 -38,-0.2 -3,-0.4 4,-0.1 -0.389 63.8-145.2 -60.2 123.4 11.3 -13.1 2.4 41 50 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.201 69.8 76.6 -88.4 19.2 9.1 -16.3 2.5 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.7 0, 0.0 -2,-0.0 -0.934 86.3-110.5-122.0 149.8 12.0 -18.8 2.8 43 52 A K - 0 0 150 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.715 46.8-120.4 -73.0 114.6 14.2 -19.8 5.7 44 53 A I - 0 0 4 -2,-0.7 3,-0.1 1,-0.1 -38,-0.1 -0.372 31.8-177.4 -66.3 131.5 17.6 -18.4 4.6 45 54 A K + 0 0 168 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.550 62.8 10.3-106.6 -14.5 20.3 -21.0 4.3 46 55 A S > - 0 0 39 1,-0.1 4,-1.7 22,-0.0 -1,-0.2 -0.991 67.5-112.1-158.3 162.4 23.3 -18.7 3.4 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.870 116.8 58.5 -61.5 -38.8 24.6 -15.2 3.1 48 57 A A H > S+ 0 0 64 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.895 104.1 50.7 -60.2 -40.9 24.7 -15.6 -0.7 49 58 A E H >4 S+ 0 0 36 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.924 112.9 46.2 -61.7 -44.8 21.0 -16.4 -0.7 50 59 A A H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.846 100.7 67.3 -65.2 -34.7 20.3 -13.3 1.4 51 60 A K H 3< S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.689 86.9 69.2 -64.5 -17.7 22.6 -11.1 -0.8 52 61 A K T << S+ 0 0 178 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.676 83.4 91.8 -71.6 -16.5 20.1 -11.5 -3.7 53 62 A L S X S- 0 0 25 -3,-2.2 3,-1.9 -4,-0.2 2,-0.3 -0.603 91.7-104.5 -82.8 140.4 17.7 -9.3 -1.8 54 63 A P T 3 S+ 0 0 99 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.478 108.2 24.9 -65.1 120.5 17.7 -5.6 -2.4 55 64 A G T 3 S+ 0 0 39 -2,-0.3 2,-0.6 1,-0.3 -22,-0.3 0.188 96.8 103.2 107.5 -14.4 19.4 -3.9 0.6 56 65 A V < + 0 0 8 -3,-1.9 -1,-0.3 -6,-0.2 2,-0.1 -0.913 50.2 169.5-101.1 120.3 21.5 -6.9 1.6 57 66 A G > - 0 0 32 -2,-0.6 4,-2.2 -3,-0.1 5,-0.2 -0.254 48.4 -68.8-114.5-157.9 25.1 -6.5 0.6 58 67 A T H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.899 125.1 48.3 -65.6 -44.6 28.5 -8.1 1.1 59 68 A K H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 114.6 44.9 -66.8 -44.9 29.0 -7.1 4.7 60 69 A I H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 109.7 55.3 -67.6 -37.4 25.6 -8.2 5.8 61 70 A A H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.905 107.4 51.5 -59.4 -39.7 25.9 -11.5 3.9 62 71 A E H X S+ 0 0 117 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.893 110.1 47.9 -61.6 -42.2 29.1 -12.2 5.7 63 72 A K H X S+ 0 0 27 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.877 109.3 53.7 -68.3 -38.4 27.4 -11.6 9.1 64 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.902 107.1 51.6 -62.1 -41.3 24.6 -13.8 8.0 65 74 A D H X S+ 0 0 77 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.932 111.6 46.7 -61.6 -44.9 27.1 -16.6 7.3 66 75 A E H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 6,-0.5 0.918 113.6 49.2 -60.0 -42.8 28.6 -16.2 10.7 67 76 A F H X S+ 0 0 44 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.892 111.7 47.0 -68.8 -39.7 25.2 -16.2 12.4 68 77 A L H < S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.4 47.7 -66.0 -36.9 24.0 -19.3 10.6 69 78 A A H < S+ 0 0 83 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.851 132.0 12.2 -73.1 -35.8 27.3 -21.1 11.4 70 79 A T H < S- 0 0 85 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.580 92.2-118.9-123.4 -17.8 27.5 -20.3 15.1 71 80 A G S < S+ 0 0 50 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.530 87.1 57.5 84.6 7.7 24.2 -18.8 16.2 72 81 A K S S- 0 0 76 -6,-0.5 2,-0.5 -5,-0.0 -2,-0.3 -0.943 75.6-118.5-155.8 174.8 25.8 -15.5 17.2 73 82 A L >> - 0 0 3 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.981 10.4-152.8-127.2 117.2 27.9 -12.5 16.0 74 83 A R H 3> S+ 0 0 164 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.873 98.2 59.7 -53.8 -39.1 31.2 -11.9 17.6 75 84 A K H 3> S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 109.9 40.9 -57.7 -41.0 30.8 -8.2 16.8 76 85 A L H <> S+ 0 0 2 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.825 108.7 60.5 -78.0 -33.2 27.6 -8.0 18.9 77 86 A E H X S+ 0 0 70 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.892 108.5 44.7 -59.4 -38.8 29.0 -10.1 21.6 78 87 A K H X S+ 0 0 158 -4,-2.1 4,-0.8 2,-0.2 3,-0.4 0.889 110.9 53.4 -72.8 -39.3 31.7 -7.5 22.1 79 88 A I H >< S+ 0 0 15 -4,-1.5 3,-0.9 1,-0.2 7,-0.2 0.905 105.7 53.8 -62.0 -40.8 29.2 -4.7 21.9 80 89 A R H 3< S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 108.9 50.1 -63.8 -27.0 27.1 -6.3 24.7 81 90 A Q H 3< S+ 0 0 141 -4,-0.8 2,-0.6 -3,-0.4 -1,-0.2 0.581 86.7 101.1 -88.2 -12.7 30.2 -6.4 26.9 82 91 A D S+ 0 0 125 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.918 90.7 47.3 -62.4 -47.1 30.0 -0.7 29.4 84 93 A T H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 115.7 45.1 -62.9 -45.0 29.8 2.6 27.6 85 94 A S H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 113.7 50.5 -62.7 -45.9 27.9 1.2 24.6 86 95 A S H X S+ 0 0 45 -4,-2.8 4,-2.0 -7,-0.2 -2,-0.2 0.922 112.4 46.8 -56.9 -47.2 25.6 -0.7 27.0 87 96 A S H X S+ 0 0 16 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.930 113.0 48.1 -62.4 -48.1 24.9 2.4 29.0 88 97 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.923 110.1 52.2 -61.3 -44.9 24.2 4.6 26.0 89 98 A N H < S+ 0 0 43 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.902 111.7 47.7 -58.7 -41.9 21.9 2.0 24.5 90 99 A F H >< S+ 0 0 49 -4,-2.0 3,-1.9 -5,-0.2 4,-0.3 0.939 108.5 51.6 -64.0 -50.6 19.9 1.8 27.7 91 100 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.840 101.0 62.0 -60.3 -35.1 19.5 5.6 28.2 92 101 A T T 3< S+ 0 0 24 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.601 86.4 76.1 -68.8 -8.6 18.2 6.1 24.7 93 102 A R T < S+ 0 0 122 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.639 78.4 88.7 -74.9 -12.3 15.2 3.8 25.6 94 103 A V S X S- 0 0 3 -3,-1.8 3,-2.0 -4,-0.3 2,-0.2 -0.735 93.2-112.0 -83.7 130.0 13.9 6.8 27.6 95 104 A S T 3 S+ 0 0 37 -2,-0.4 35,-0.4 1,-0.3 36,-0.2 -0.450 104.3 25.0 -64.2 128.9 11.7 9.0 25.4 96 105 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.172 97.8 102.4 99.4 -17.0 13.4 12.4 24.9 97 106 A I < + 0 0 8 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.906 50.3 174.7 -99.3 114.8 16.9 11.0 25.5 98 107 A G > - 0 0 28 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.385 50.2 -76.8-104.3-171.7 18.7 10.5 22.1 99 108 A P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.874 129.0 47.6 -53.8 -42.1 22.3 9.5 21.2 100 109 A S H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.965 114.9 42.6 -68.3 -52.8 23.7 12.9 22.1 101 110 A A H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 112.5 55.9 -60.0 -39.2 22.0 13.3 25.5 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.938 108.8 45.2 -60.8 -47.1 22.8 9.6 26.3 103 112 A R H X S+ 0 0 84 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.898 113.4 51.1 -64.9 -38.3 26.5 10.0 25.8 104 113 A K H X S+ 0 0 125 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.917 110.1 49.2 -64.5 -43.8 26.5 13.3 27.7 105 114 A F H ><>S+ 0 0 14 -4,-2.9 5,-2.8 1,-0.2 3,-0.6 0.937 109.3 51.4 -60.6 -46.3 24.7 11.7 30.7 106 115 A V H ><5S+ 0 0 13 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.863 105.7 57.1 -60.8 -35.0 27.1 8.8 30.7 107 116 A D H 3<5S+ 0 0 131 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.841 106.6 48.7 -60.1 -36.5 29.9 11.3 30.8 108 117 A E T <<5S- 0 0 80 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.434 125.8-102.8 -85.7 -0.3 28.5 12.8 33.9 109 118 A G T < 5S+ 0 0 43 -3,-1.1 2,-0.8 -4,-0.4 -3,-0.2 0.616 81.2 132.3 88.5 13.8 28.2 9.4 35.5 110 119 A I < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.868 17.3 131.4 -98.8 106.5 24.4 9.0 34.9 111 120 A K + 0 0 80 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.342 49.7 60.3-142.7 5.7 24.0 5.6 33.4 112 121 A T S > S- 0 0 58 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.892 82.4-108.0-133.4 166.9 21.2 3.7 35.2 113 122 A L H > S+ 0 0 45 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.901 122.4 52.7 -56.9 -42.7 17.5 4.0 35.9 114 123 A E H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 107.2 51.6 -59.4 -43.0 18.4 4.8 39.5 115 124 A D H > S+ 0 0 28 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.917 110.1 48.7 -61.8 -45.5 20.8 7.6 38.4 116 125 A L H >< S+ 0 0 2 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.918 108.8 53.3 -59.1 -45.0 18.1 9.2 36.3 117 126 A R H >< S+ 0 0 147 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.844 110.6 46.3 -63.7 -33.5 15.6 9.1 39.1 118 127 A K H 3< S+ 0 0 128 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.551 114.3 50.2 -85.6 -8.3 17.9 10.9 41.5 119 128 A N T X< + 0 0 29 -3,-1.0 3,-2.1 -4,-0.7 4,-0.2 -0.146 61.7 134.4-122.0 38.4 18.8 13.5 38.9 120 129 A E G X + 0 0 89 -3,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.797 67.6 68.1 -55.2 -32.2 15.4 14.6 37.6 121 130 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.688 95.2 57.2 -63.9 -17.8 16.6 18.2 37.8 122 131 A K G < S+ 0 0 97 -3,-2.1 2,-0.3 -6,-0.2 -1,-0.3 0.494 93.9 86.3 -90.4 -4.1 19.0 17.4 35.0 123 132 A L S < S- 0 0 11 -3,-1.9 -26,-0.0 -4,-0.2 2,-0.0 -0.746 73.6-129.2 -99.5 144.2 16.2 16.3 32.6 124 133 A N > - 0 0 85 -2,-0.3 4,-2.2 -28,-0.1 5,-0.2 -0.236 42.0 -90.7 -75.1 175.9 14.0 18.5 30.3 125 134 A H H > S+ 0 0 114 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.919 126.4 48.5 -56.9 -49.4 10.2 18.2 30.5 126 135 A H H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 112.9 47.8 -56.3 -50.2 10.0 15.5 27.8 127 136 A Q H > S+ 0 0 16 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 107.2 57.0 -62.1 -36.6 12.8 13.4 29.4 128 137 A R H X S+ 0 0 97 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 111.0 42.5 -62.7 -41.8 11.1 13.7 32.8 129 138 A I H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.887 110.8 55.9 -72.6 -39.9 7.9 12.2 31.5 130 139 A G H < S+ 0 0 1 -4,-2.5 -35,-0.2 -35,-0.4 -2,-0.2 0.883 111.5 44.8 -55.3 -39.8 9.8 9.6 29.5 131 140 A L H >< S+ 0 0 8 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.931 107.9 57.1 -69.8 -45.9 11.4 8.5 32.8 132 141 A K H 3< S+ 0 0 127 -4,-2.1 3,-0.2 1,-0.3 -2,-0.2 0.867 119.8 30.4 -53.0 -40.8 8.2 8.6 34.7 133 142 A Y T 3X S+ 0 0 20 -4,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.010 79.5 129.9-112.2 27.6 6.6 6.1 32.3 134 143 A F H <> S+ 0 0 27 -3,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.911 79.1 40.4 -47.2 -54.6 9.7 4.2 31.3 135 144 A G H >4 S+ 0 0 46 -4,-0.3 3,-1.3 -3,-0.2 4,-0.4 0.948 114.9 51.2 -61.8 -49.5 8.1 0.8 32.0 136 145 A D H >4 S+ 0 0 36 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.866 104.0 57.7 -58.2 -39.9 4.7 1.7 30.5 137 146 A F H 3< S+ 0 0 41 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.644 100.9 56.3 -73.4 -12.7 6.0 3.0 27.2 138 147 A E T << S+ 0 0 94 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.492 89.5 93.0 -94.6 -1.8 7.8 -0.3 26.4 139 148 A K S < S- 0 0 107 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.0 -0.651 76.0-127.2 -85.7 144.8 4.5 -2.2 26.7 140 149 A R - 0 0 143 -2,-0.3 40,-0.2 104,-0.1 -2,-0.1 -0.493 17.6-119.8 -88.3 163.2 2.5 -2.8 23.5 141 150 A I E -A 179 0A 1 38,-3.3 38,-2.4 -2,-0.2 40,-0.1 -0.910 22.8-129.0-107.2 118.6 -1.2 -1.9 23.2 142 151 A P E >> -A 178 0A 53 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.365 21.8-120.2 -61.9 145.3 -3.6 -4.8 22.4 143 152 A R H 3> S+ 0 0 58 34,-2.4 4,-2.4 1,-0.3 5,-0.2 0.858 114.3 62.6 -56.3 -34.2 -5.9 -4.0 19.5 144 153 A E H 3> S+ 0 0 151 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.903 106.7 44.0 -57.7 -40.6 -8.8 -4.4 21.8 145 154 A E H <> S+ 0 0 30 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.871 108.6 57.4 -70.9 -37.3 -7.5 -1.5 23.9 146 155 A M H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.888 104.7 52.9 -59.8 -37.1 -6.8 0.5 20.7 147 156 A L H X S+ 0 0 76 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.908 108.9 48.6 -65.2 -39.7 -10.5 0.1 19.8 148 157 A Q H X S+ 0 0 61 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.879 112.7 48.4 -64.8 -38.2 -11.5 1.5 23.2 149 158 A M H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.903 108.7 53.8 -69.5 -40.5 -9.1 4.4 22.8 150 159 A Q H X S+ 0 0 42 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.913 107.2 51.8 -56.9 -46.7 -10.5 5.0 19.3 151 160 A D H X S+ 0 0 97 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.942 110.8 47.1 -56.6 -51.7 -14.0 5.2 20.7 152 161 A I H X S+ 0 0 39 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.946 115.7 44.3 -57.2 -50.7 -13.0 7.8 23.3 153 162 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.945 114.9 46.6 -64.2 -47.7 -11.1 10.0 20.9 154 163 A L H X S+ 0 0 60 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.918 116.0 45.8 -62.9 -41.6 -13.7 9.9 18.1 155 164 A N H X S+ 0 0 73 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.892 114.0 47.1 -69.5 -37.6 -16.6 10.6 20.5 156 165 A E H X S+ 0 0 23 -4,-2.5 4,-1.3 -5,-0.3 -2,-0.2 0.894 110.8 52.0 -71.3 -38.6 -14.8 13.4 22.4 157 166 A V H >X S+ 0 0 5 -4,-2.6 4,-2.1 -5,-0.3 3,-0.6 0.930 107.8 53.0 -58.5 -43.8 -13.7 15.0 19.1 158 167 A K H 3< S+ 0 0 132 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.858 104.5 55.6 -61.5 -37.2 -17.3 14.9 17.9 159 168 A K H 3< S+ 0 0 140 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.798 107.6 49.8 -67.0 -29.5 -18.4 16.7 21.1 160 169 A V H << S- 0 0 42 -4,-1.3 2,-0.3 -3,-0.6 -2,-0.2 0.949 137.2 -17.9 -72.0 -51.1 -16.0 19.5 20.4 161 170 A D >< - 0 0 38 -4,-2.1 3,-1.8 -5,-0.1 -1,-0.3 -0.877 52.3-143.1-160.9 121.7 -17.1 20.1 16.8 162 171 A S T 3 S+ 0 0 100 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.609 98.7 67.6 -63.4 -10.2 -19.1 17.7 14.6 163 172 A E T 3 S+ 0 0 107 -5,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.601 77.3 98.8 -90.3 -12.0 -17.0 18.8 11.6 164 173 A Y < - 0 0 12 -3,-1.8 2,-0.4 -7,-0.2 24,-0.2 -0.474 57.7-158.6 -66.0 145.6 -13.7 17.3 12.9 165 174 A I E -B 187 0B 83 22,-2.1 22,-2.2 -2,-0.1 2,-0.5 -0.990 6.2-168.2-124.4 123.0 -12.7 14.0 11.4 166 175 A A E -B 186 0B 13 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.940 3.0-172.4-109.6 130.9 -10.3 11.9 13.5 167 176 A T E -B 185 0B 29 18,-2.9 18,-3.2 -2,-0.5 2,-0.5 -0.986 20.3-135.6-124.7 123.7 -8.6 8.9 11.9 168 177 A V E +B 184 0B 7 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.693 37.5 167.4 -80.1 124.9 -6.5 6.4 13.8 169 178 A C >> + 0 0 1 14,-2.8 3,-0.9 -2,-0.5 4,-0.6 -0.077 28.3 69.6-117.2-150.5 -3.4 5.7 11.8 170 179 A G H >> S- 0 0 5 93,-2.0 4,-1.1 1,-0.2 3,-0.6 -0.242 115.6 -21.7 67.4-155.5 -0.0 4.0 12.4 171 180 A S H 34>S+ 0 0 14 1,-0.2 5,-2.4 2,-0.2 -1,-0.2 0.788 134.4 66.3 -60.1 -26.7 0.1 0.3 12.9 172 181 A F H X45S+ 0 0 13 -3,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.948 101.9 45.9 -60.4 -46.7 -3.6 0.3 13.9 173 182 A R H <<5S+ 0 0 64 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.765 106.6 60.7 -69.6 -22.9 -4.7 1.3 10.4 174 183 A R T 3<5S- 0 0 43 -4,-1.1 -1,-0.3 90,-0.1 -2,-0.2 0.385 121.2-110.4 -82.6 3.9 -2.3 -1.4 9.0 175 184 A G T < 5 + 0 0 39 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.623 55.3 170.6 81.3 16.1 -4.4 -3.9 11.0 176 185 A A < - 0 0 26 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.245 38.4-136.9 -60.6 145.2 -1.8 -4.8 13.6 177 186 A E S S+ 0 0 148 1,-0.2 -34,-2.4 -35,-0.1 2,-0.3 0.643 92.1 19.8 -78.6 -15.3 -3.0 -7.0 16.5 178 187 A S E S-A 142 0A 40 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.985 72.5-154.4-148.7 155.0 -1.0 -4.7 18.8 179 188 A S E -A 141 0A 0 -38,-2.4 -38,-3.3 -2,-0.3 3,-0.1 -0.912 20.6-138.9-129.1 153.2 0.4 -1.2 18.5 180 189 A G S S- 0 0 37 -2,-0.3 65,-0.4 -40,-0.2 2,-0.3 0.780 85.5 -21.6 -78.4 -29.2 3.3 0.7 20.1 181 190 A D S S- 0 0 38 63,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.910 75.4 -84.7-162.2-178.1 1.2 3.9 20.6 182 191 A M E - c 0 246B 0 63,-2.3 65,-2.6 -2,-0.3 2,-0.5 -0.943 33.1-166.8-109.8 122.9 -1.8 5.7 19.3 183 192 A D E - c 0 247B 20 -2,-0.5 -14,-2.8 -14,-0.5 2,-0.5 -0.934 6.0-171.1-108.9 121.9 -1.5 7.9 16.2 184 193 A V E -Bc 168 248B 2 63,-3.0 65,-2.8 -2,-0.5 2,-0.5 -0.957 10.4-160.3-120.6 120.5 -4.4 10.2 15.4 185 194 A L E -Bc 167 249B 1 -18,-3.2 -18,-2.9 -2,-0.5 2,-0.4 -0.839 18.4-164.9 -94.1 128.0 -4.8 12.2 12.2 186 195 A L E +Bc 166 250B 1 63,-3.2 65,-2.3 -2,-0.5 2,-0.3 -0.936 11.0 178.6-120.2 136.9 -7.1 15.2 12.6 187 196 A T E +B 165 0B 6 -22,-2.2 -22,-2.1 -2,-0.4 5,-0.1 -0.951 6.5 180.0-129.8 158.1 -8.9 17.3 10.1 188 197 A H > - 0 0 0 3,-0.4 3,-2.4 63,-0.4 65,-0.5 -0.961 35.0-125.9-151.7 137.0 -11.3 20.3 10.2 189 198 A P T 3 S+ 0 0 44 0, 0.0 8,-0.1 0, 0.0 65,-0.1 0.717 106.6 67.3 -61.4 -16.2 -12.8 22.1 7.2 190 199 A S T 3 S+ 0 0 14 1,-0.2 7,-3.0 6,-0.1 8,-0.7 0.493 94.6 63.2 -80.7 -2.4 -11.5 25.4 8.7 191 200 A F B < +F 196 0C 31 -3,-2.4 62,-2.6 5,-0.2 -3,-0.4 -0.923 67.3 146.5-125.8 105.0 -7.9 24.4 8.2 192 201 A T - 0 0 36 3,-2.8 3,-0.4 -2,-0.5 -2,-0.0 -0.752 64.4 -96.2-126.5 175.8 -6.9 23.9 4.6 193 202 A S S S+ 0 0 62 -2,-0.2 3,-0.1 1,-0.2 94,-0.0 0.672 125.4 49.0 -65.2 -16.3 -3.7 24.5 2.5 194 203 A E S S- 0 0 162 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.697 122.0 -10.2 -98.4 -24.0 -5.3 27.8 1.5 195 204 A S - 0 0 44 -3,-0.4 -3,-2.8 0, 0.0 2,-0.6 -0.988 44.7-130.0-170.1 159.2 -6.3 29.2 4.9 196 205 A T B +F 191 0C 90 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.912 26.4 173.9-117.6 100.5 -6.8 28.9 8.7 197 206 A K + 0 0 152 -7,-3.0 -6,-0.1 -2,-0.6 -1,-0.1 0.622 67.6 40.7 -84.9 -15.5 -10.3 30.2 9.4 198 207 A Q S S- 0 0 64 -8,-0.7 3,-0.4 0, 0.0 2,-0.1 -0.999 74.1-141.4-134.7 137.2 -10.3 29.2 13.1 199 208 A P S S+ 0 0 96 0, 0.0 -9,-0.0 0, 0.0 -2,-0.0 -0.478 79.7 27.4 -86.4 164.8 -7.5 29.3 15.7 200 209 A K > + 0 0 139 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 0.702 68.2 147.3 62.5 26.1 -6.8 26.7 18.4 201 210 A L H > S+ 0 0 7 -3,-0.4 4,-0.8 1,-0.2 -1,-0.1 0.901 78.7 35.7 -61.8 -42.6 -8.2 23.8 16.3 202 211 A L H > S+ 0 0 2 21,-0.4 4,-2.3 2,-0.2 3,-0.5 0.904 115.3 57.2 -74.3 -42.9 -5.7 21.3 17.8 203 212 A H H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.916 102.2 53.9 -54.1 -48.2 -5.7 23.0 21.2 204 213 A Q H X S+ 0 0 77 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.838 110.4 47.3 -60.1 -33.3 -9.5 22.6 21.7 205 214 A V H X S+ 0 0 3 -4,-0.8 4,-2.1 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