==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA/LYASE/TRANSFERASE 29-APR-05 1ZJN . COMPND 2 MOLECULE: D(*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,L.C.PEDERSEN,S.H.WILSON . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.8 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 37.8 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 2 1 2 1 3 0 1 0 1 1 0 3 0 0 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 0 173 0, 0.0 4,-0.3 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -39.3 25.8 -13.6 38.7 2 11 A L + 0 0 82 1,-0.2 3,-0.1 36,-0.1 36,-0.1 0.917 360.0 13.4 -68.4 -44.2 26.9 -15.4 35.6 3 12 A N S >> S+ 0 0 11 1,-0.1 4,-2.3 35,-0.1 3,-0.6 0.037 95.9 129.0-115.8 19.9 30.2 -13.5 35.6 4 13 A G H 3> + 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.881 65.1 56.8 -41.4 -58.4 29.6 -12.3 39.2 5 14 A G H 3> S+ 0 0 38 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.900 113.4 42.6 -42.8 -49.7 33.0 -13.4 40.6 6 15 A I H <> S+ 0 0 6 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.983 113.8 47.5 -63.2 -61.6 34.7 -11.3 37.9 7 16 A T H X S+ 0 0 20 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.750 111.7 53.0 -56.5 -23.2 32.5 -8.2 38.0 8 17 A D H X S+ 0 0 108 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.960 109.2 48.6 -74.5 -47.8 32.8 -8.2 41.8 9 18 A M H X S+ 0 0 6 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.916 113.5 46.6 -52.8 -49.4 36.6 -8.3 41.6 10 19 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.3 0.858 111.8 53.1 -62.4 -35.9 36.6 -5.5 39.1 11 20 A T H X S+ 0 0 62 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.966 107.8 47.6 -64.4 -54.6 34.1 -3.6 41.2 12 21 A E H X S+ 0 0 66 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.891 113.7 49.8 -55.3 -41.7 36.2 -3.8 44.4 13 22 A L H >X S+ 0 0 1 -4,-2.1 3,-1.5 -5,-0.3 4,-1.5 0.983 107.1 53.2 -61.0 -56.0 39.3 -2.7 42.5 14 23 A A H >X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 3,-0.5 0.876 108.2 52.1 -45.2 -45.9 37.4 0.3 40.9 15 24 A N H 3X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.793 104.6 56.0 -62.5 -31.1 36.5 1.4 44.4 16 25 A F H S+ 0 0 30 -3,-1.5 5,-1.9 -4,-1.3 4,-1.4 0.800 108.8 47.3 -71.9 -28.4 40.1 1.2 45.5 17 26 A E H <<5S+ 0 0 9 -4,-1.5 6,-4.1 -3,-0.5 -2,-0.2 0.819 116.1 43.4 -81.5 -30.7 41.1 3.6 42.7 18 27 A K H <5S+ 0 0 64 -4,-1.8 -2,-0.2 4,-0.3 6,-0.2 0.910 125.2 31.7 -78.9 -44.8 38.4 6.0 43.4 19 28 A N H <5S+ 0 0 11 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.786 135.8 17.5 -86.5 -30.6 38.7 6.1 47.2 20 29 A V T <5S+ 0 0 27 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.836 132.5 35.1-106.1 -60.1 42.4 5.4 47.8 21 30 A S S - 0 0 31 -6,-4.1 4,-2.3 1,-0.1 3,-0.3 -0.791 31.3-177.9-129.4 88.0 41.8 8.1 40.3 24 33 A I H > S+ 0 0 97 -2,-0.4 4,-3.7 1,-0.2 5,-0.2 0.735 82.1 59.6 -54.8 -29.3 38.2 8.3 38.8 25 34 A H H > S+ 0 0 141 2,-0.3 4,-3.5 1,-0.2 -1,-0.2 0.945 108.2 41.3 -70.1 -46.6 39.4 7.3 35.4 26 35 A K H > S+ 0 0 120 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.888 114.9 56.7 -65.8 -32.9 40.9 4.0 36.6 27 36 A Y H X S+ 0 0 29 -4,-2.3 4,-2.0 2,-0.2 -2,-0.3 0.971 112.0 39.4 -58.4 -53.9 37.7 3.9 38.6 28 37 A N H X S+ 0 0 46 -4,-3.7 4,-4.1 2,-0.2 5,-0.3 0.926 110.5 58.5 -60.6 -49.6 35.6 4.3 35.4 29 38 A A H X S+ 0 0 52 -4,-3.5 4,-2.3 1,-0.3 -1,-0.2 0.896 110.1 44.8 -46.8 -47.5 37.8 2.0 33.4 30 39 A Y H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.892 115.1 47.8 -66.0 -41.2 37.1 -0.8 35.9 31 40 A R H X S+ 0 0 67 -4,-2.0 4,-3.4 -5,-0.2 -2,-0.2 0.962 110.3 51.2 -64.0 -50.3 33.4 -0.0 36.0 32 41 A K H X S+ 0 0 79 -4,-4.1 4,-2.7 1,-0.2 5,-0.3 0.913 111.9 48.2 -52.0 -46.9 33.1 0.1 32.2 33 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.943 113.1 45.6 -62.4 -48.0 34.9 -3.3 32.1 34 43 A A H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.894 112.6 55.2 -61.8 -36.6 32.6 -4.8 34.7 35 44 A S H X S+ 0 0 12 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.939 111.6 39.8 -60.3 -51.4 29.7 -3.2 32.9 36 45 A V H X S+ 0 0 23 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.816 116.4 53.1 -70.2 -29.4 30.5 -4.8 29.5 37 46 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 -5,-0.3 -2,-0.2 0.907 104.6 53.4 -72.8 -40.1 31.4 -8.1 31.3 38 47 A A H 3< S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 109.8 50.1 -63.6 -28.0 28.1 -8.2 33.2 39 48 A K H 3< S+ 0 0 130 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.668 83.8 107.5 -84.1 -16.1 26.3 -7.8 29.8 40 49 A Y << - 0 0 46 -3,-0.7 4,-0.1 -4,-0.7 -37,-0.1 -0.498 61.4-154.0 -65.3 119.0 28.4 -10.6 28.3 41 50 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.519 68.5 77.6 -73.7 -8.8 25.9 -13.5 27.9 42 51 A H S S- 0 0 113 -39,-0.0 2,-0.8 1,-0.0 -2,-0.0 -0.663 88.5-111.0-101.3 159.9 28.6 -16.2 28.0 43 52 A K - 0 0 122 -2,-0.2 -40,-0.1 1,-0.0 -41,-0.0 -0.819 44.7-123.5 -89.8 112.2 30.4 -17.6 31.1 44 53 A I + 0 0 8 -2,-0.8 3,-0.1 -4,-0.1 -38,-0.0 -0.128 31.5 179.7 -54.3 150.3 34.0 -16.3 30.6 45 54 A K + 0 0 151 1,-0.3 2,-0.3 -3,-0.0 -1,-0.1 0.238 61.5 7.3-138.2 10.6 36.8 -18.7 30.5 46 55 A S > - 0 0 31 1,-0.1 4,-1.5 2,-0.0 -1,-0.3 -0.979 63.9-111.9-177.5 170.5 39.9 -16.6 29.9 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.784 113.7 62.4 -85.5 -30.9 41.3 -13.1 29.7 48 57 A A H > S+ 0 0 68 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.952 108.5 41.7 -57.2 -50.6 42.0 -13.6 26.0 49 58 A E H >4 S+ 0 0 41 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.971 115.7 50.5 -60.1 -53.4 38.3 -14.0 25.4 50 59 A A H >< S+ 0 0 0 -4,-1.5 3,-2.6 1,-0.2 -2,-0.2 0.896 101.5 60.7 -52.1 -49.3 37.4 -11.1 27.8 51 60 A K H 3< S+ 0 0 100 -4,-3.4 5,-0.4 1,-0.3 -1,-0.2 0.793 86.7 73.6 -51.6 -34.0 39.9 -8.7 26.1 52 61 A K T << S+ 0 0 174 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.805 85.1 87.9 -52.4 -26.0 38.0 -8.9 22.8 53 62 A L S X S- 0 0 35 -3,-2.6 3,-1.6 -4,-0.4 2,-0.3 -0.477 94.4-108.2 -75.0 143.1 35.5 -6.8 24.7 54 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 -1,-0.1 -0.554 106.1 31.8 -73.1 130.9 35.9 -3.1 24.6 55 64 A G T 3 S+ 0 0 41 -2,-0.3 2,-0.7 -4,-0.1 -22,-0.3 0.324 95.8 98.2 105.1 -8.3 37.0 -1.8 28.0 56 65 A V < + 0 0 5 -3,-1.6 -1,-0.1 -5,-0.4 2,-0.1 -0.912 50.8 171.2-114.3 100.2 39.0 -4.9 28.8 57 66 A G > - 0 0 37 -2,-0.7 4,-1.7 -3,-0.1 5,-0.1 -0.097 52.8 -75.1 -91.7-162.0 42.6 -4.3 28.0 58 67 A T H > S+ 0 0 81 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.931 126.2 56.1 -62.1 -49.0 45.6 -6.5 28.9 59 68 A K H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 111.6 42.1 -48.4 -60.5 45.8 -5.7 32.6 60 69 A I H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.826 113.2 53.8 -59.6 -33.2 42.2 -6.7 33.2 61 70 A A H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.972 107.9 51.7 -65.3 -47.2 42.6 -9.8 31.1 62 71 A E H X S+ 0 0 110 -4,-3.7 4,-2.0 1,-0.3 -2,-0.2 0.896 110.1 47.1 -54.9 -43.0 45.6 -10.7 33.2 63 72 A K H X S+ 0 0 23 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.3 0.884 108.2 57.1 -68.0 -33.8 43.7 -10.3 36.4 64 73 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.911 107.0 48.2 -64.3 -39.8 40.9 -12.4 34.9 65 74 A D H X S+ 0 0 76 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.929 112.2 49.4 -65.3 -42.3 43.3 -15.2 34.2 66 75 A E H X S+ 0 0 37 -4,-2.0 4,-3.5 -5,-0.2 6,-0.4 0.975 114.3 44.5 -59.9 -54.9 44.7 -15.0 37.7 67 76 A F H X S+ 0 0 51 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.911 115.3 46.9 -55.9 -47.8 41.2 -15.0 39.3 68 77 A L H < S+ 0 0 71 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.846 118.3 45.0 -63.6 -32.8 39.9 -17.8 37.1 69 78 A A H < S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 129.4 19.3 -80.1 -39.5 43.1 -19.7 37.9 70 79 A T H < S- 0 0 77 -4,-3.5 -3,-0.2 2,-0.4 -2,-0.2 0.407 93.5-120.9-115.0 2.2 43.4 -19.2 41.6 71 80 A G S < S+ 0 0 60 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.625 90.0 52.2 68.4 10.0 39.9 -18.3 42.7 72 81 A K S S- 0 0 60 -6,-0.4 2,-0.4 -5,-0.1 -2,-0.4 -0.906 77.8-117.5-157.9-177.8 41.4 -15.0 44.0 73 82 A L >> - 0 0 5 -2,-0.3 4,-2.0 1,-0.1 3,-0.9 -0.914 8.6-153.0-139.8 113.0 43.5 -12.0 43.2 74 83 A R H 3> S+ 0 0 147 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.839 98.2 55.1 -46.1 -46.1 46.8 -11.2 45.1 75 84 A K H 3> S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.861 110.9 45.1 -59.7 -38.1 46.5 -7.5 44.4 76 85 A L H <> S+ 0 0 11 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.816 110.7 54.1 -76.9 -29.7 43.1 -7.5 46.0 77 86 A E H X S+ 0 0 83 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.870 109.6 48.6 -70.5 -37.2 44.4 -9.6 48.9 78 87 A K H >< S+ 0 0 150 -4,-2.5 3,-0.5 2,-0.2 4,-0.3 0.977 111.3 47.4 -64.4 -56.7 47.1 -7.1 49.6 79 88 A I H >< S+ 0 0 29 -4,-1.9 3,-1.5 1,-0.3 7,-0.4 0.890 111.9 51.5 -51.3 -44.7 44.8 -4.1 49.6 80 89 A R H 3< S+ 0 0 155 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.847 107.9 54.1 -62.7 -32.7 42.5 -5.9 51.9 81 90 A Q T << S+ 0 0 169 -4,-1.4 2,-0.7 -3,-0.5 -1,-0.3 0.394 89.4 90.8 -84.5 5.2 45.4 -6.6 54.2 82 91 A D <> - 0 0 68 -3,-1.5 4,-2.3 -4,-0.3 5,-0.2 -0.888 60.4-159.2-108.4 111.3 46.4 -3.0 54.5 83 92 A D H > S+ 0 0 130 -2,-0.7 4,-1.4 1,-0.2 5,-0.2 0.862 87.8 57.0 -50.9 -48.3 44.9 -1.1 57.4 84 93 A T H >> S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 3,-1.2 0.969 112.8 38.6 -50.3 -64.1 45.4 2.4 56.0 85 94 A S H 3> S+ 0 0 14 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.926 113.5 55.6 -52.1 -52.1 43.6 1.8 52.8 86 95 A S H 3X S+ 0 0 67 -4,-2.3 4,-1.0 -7,-0.4 -1,-0.3 0.720 110.0 47.6 -57.2 -21.8 40.9 -0.3 54.4 87 96 A S H < S+ 0 0 49 -4,-2.9 3,-0.6 1,-0.2 4,-0.5 0.946 112.5 53.8 -51.4 -52.7 37.7 3.2 51.8 90 99 A F H >< S+ 0 0 44 -4,-1.0 3,-2.1 -5,-0.4 -1,-0.2 0.933 105.0 53.5 -47.3 -56.3 35.7 2.6 54.9 91 100 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.804 96.7 65.2 -51.3 -38.1 35.4 6.3 55.7 92 101 A T T << S+ 0 0 23 -4,-1.7 -1,-0.3 -3,-0.6 5,-0.2 0.616 83.5 78.5 -64.6 -9.5 34.1 7.2 52.3 93 102 A R T < S+ 0 0 130 -3,-2.1 2,-0.5 -4,-0.5 -1,-0.3 0.412 74.4 91.4 -80.5 4.0 31.0 5.2 53.1 94 103 A V S X S- 0 0 3 -3,-1.5 3,-2.3 3,-0.3 2,-0.3 -0.845 93.1-108.7 -98.2 131.7 29.7 8.0 55.2 95 104 A S T 3 S+ 0 0 32 -2,-0.5 35,-0.5 35,-0.3 36,-0.2 -0.456 107.8 25.5 -62.2 122.5 27.5 10.4 53.2 96 105 A G T 3 S+ 0 0 32 -2,-0.3 2,-0.7 -4,-0.2 31,-0.3 0.267 97.6 102.0 108.0 -11.4 29.6 13.6 52.8 97 106 A I < + 0 0 5 -3,-2.3 -3,-0.3 -5,-0.2 -1,-0.1 -0.866 46.8 171.8-112.4 101.4 33.0 11.9 53.1 98 107 A G > - 0 0 33 -2,-0.7 4,-1.8 -5,-0.1 5,-0.2 -0.085 52.7 -74.5 -91.0-166.8 34.7 11.5 49.8 99 108 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.940 126.3 51.8 -55.1 -52.6 38.3 10.3 49.0 100 109 A S H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.926 114.2 37.2 -52.0 -60.8 39.9 13.6 50.0 101 110 A A H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.853 113.8 58.1 -64.5 -35.9 38.5 14.0 53.5 102 111 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.940 107.8 46.4 -59.3 -48.8 38.6 10.3 54.3 103 112 A R H X S+ 0 0 103 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.922 110.1 53.1 -60.4 -46.2 42.4 10.3 53.7 104 113 A K H X S+ 0 0 109 -4,-2.0 4,-2.7 1,-0.2 3,-0.3 0.951 109.2 50.4 -54.7 -49.0 42.9 13.4 55.8 105 114 A F H <>S+ 0 0 15 -4,-2.7 5,-2.6 1,-0.3 4,-0.3 0.877 107.0 50.9 -59.6 -41.5 41.1 11.8 58.6 106 115 A V H ><5S+ 0 0 11 -4,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.837 113.7 49.1 -65.2 -27.3 43.1 8.6 58.5 107 116 A D H 3<5S+ 0 0 103 -4,-1.9 -2,-0.3 -3,-0.3 -1,-0.2 0.884 106.8 54.2 -75.8 -38.6 46.1 10.9 58.6 108 117 A E T 3<5S- 0 0 104 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.390 127.0 -98.5 -78.0 6.9 44.6 12.9 61.5 109 118 A G T < 5S+ 0 0 41 -3,-0.6 2,-0.6 -4,-0.3 -3,-0.2 0.385 87.0 123.7 94.7 -3.9 44.4 9.6 63.5 110 119 A I < + 0 0 8 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.2 -0.828 16.4 128.8 -96.3 120.6 40.7 9.0 62.8 111 120 A K + 0 0 96 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 0.311 48.6 72.1-153.5 8.9 39.9 5.6 61.2 112 121 A T S > S- 0 0 47 1,-0.1 4,-2.0 -22,-0.0 -1,-0.1 -0.918 81.1-113.8-129.8 159.5 37.2 3.7 63.1 113 122 A L H > S+ 0 0 35 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.823 121.8 52.2 -57.4 -29.6 33.5 4.2 63.4 114 123 A E H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.963 103.4 53.9 -70.9 -53.6 34.3 4.9 67.0 115 124 A D H > S+ 0 0 46 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.916 106.1 55.4 -46.0 -52.4 36.9 7.6 66.3 116 125 A L H >< S+ 0 0 3 -4,-2.0 3,-2.2 1,-0.2 6,-0.3 0.912 106.6 45.8 -48.0 -59.4 34.4 9.5 64.2 117 126 A R H >< S+ 0 0 148 -4,-1.3 3,-1.0 1,-0.3 -1,-0.2 0.819 109.7 57.9 -57.4 -30.6 31.6 9.9 66.7 118 127 A K H 3< S+ 0 0 173 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.572 114.2 38.1 -76.8 -9.3 34.3 10.9 69.2 119 128 A N T X< + 0 0 45 -3,-2.2 3,-3.0 -4,-0.5 4,-0.4 -0.123 64.7 141.7-133.0 38.3 35.3 13.8 66.9 120 129 A E G X + 0 0 99 -3,-1.0 3,-1.8 1,-0.3 -2,-0.1 0.801 68.1 74.9 -47.8 -29.7 32.0 15.0 65.6 121 130 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.477 89.8 57.1 -63.9 -2.0 33.6 18.4 65.9 122 131 A K G < S+ 0 0 99 -3,-3.0 2,-0.3 -6,-0.3 -1,-0.3 0.594 95.1 80.8-102.5 -16.3 35.7 17.5 62.8 123 132 A L S < S- 0 0 10 -3,-1.8 2,-0.1 -4,-0.4 -26,-0.0 -0.678 72.9-131.9 -97.1 146.3 32.7 16.9 60.6 124 133 A N > - 0 0 79 -2,-0.3 4,-2.9 -28,-0.1 5,-0.2 -0.416 43.7 -86.5 -85.1 167.8 30.6 19.4 58.7 125 134 A H H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.867 127.4 45.3 -39.2 -58.8 26.8 19.3 58.9 126 135 A H H >> S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.972 113.9 46.1 -53.1 -65.6 26.4 16.8 56.0 127 136 A Q H 3> S+ 0 0 16 -31,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.837 109.9 59.0 -48.9 -33.3 29.1 14.5 57.1 128 137 A R H 3X S+ 0 0 112 -4,-2.9 4,-2.4 2,-0.2 3,-0.4 0.961 107.7 43.5 -60.7 -50.7 27.5 14.7 60.5 129 138 A I H < S+ 0 0 12 -4,-1.4 3,-1.0 -3,-0.4 4,-0.4 0.922 109.0 50.9 -77.4 -48.0 27.4 9.6 60.5 132 141 A K H 3< S+ 0 0 145 -4,-2.4 3,-0.2 1,-0.3 4,-0.2 0.914 124.2 31.1 -56.0 -43.4 24.2 9.7 62.5 133 142 A Y T 3X S+ 0 0 14 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.273 85.0 117.9-100.2 11.5 22.5 7.6 59.9 134 143 A F H <> S+ 0 0 29 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.893 80.5 43.5 -41.8 -59.1 25.5 5.6 58.7 135 144 A G H >> S+ 0 0 43 -4,-0.4 3,-0.8 -3,-0.2 4,-0.6 0.923 114.6 49.8 -55.5 -48.5 24.1 2.3 59.8 136 145 A D H >4 S+ 0 0 48 1,-0.2 3,-1.0 -4,-0.2 -2,-0.2 0.892 109.7 52.3 -58.5 -41.0 20.7 3.2 58.3 137 146 A F H 3< S+ 0 0 38 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.639 93.7 69.1 -73.1 -16.5 22.2 4.2 55.0 138 147 A E H << S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.754 87.8 93.6 -70.5 -21.4 24.1 1.1 54.5 139 148 A K S << S- 0 0 112 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.0 -0.430 72.9-132.6 -79.1 141.9 20.8 -0.6 54.0 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 104,-0.0 -1,-0.1 -0.571 27.6-116.8 -85.4 153.8 19.0 -1.2 50.7 141 150 A I E -A 179 0A 0 38,-4.7 38,-2.1 -2,-0.2 40,-0.1 -0.821 19.6-124.6-100.3 127.1 15.3 -0.3 50.4 142 151 A P E >> -A 178 0A 53 0, 0.0 4,-2.4 0, 0.0 3,-1.2 -0.388 23.3-122.6 -64.2 137.7 12.6 -2.9 49.7 143 152 A R H 3> S+ 0 0 69 34,-3.1 4,-2.0 1,-0.3 35,-0.1 0.769 111.9 58.2 -54.5 -24.3 10.5 -2.1 46.7 144 153 A E H 3> S+ 0 0 151 33,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.859 105.4 47.1 -75.0 -34.6 7.4 -2.2 48.9 145 154 A E H <> S+ 0 0 27 -3,-1.2 4,-2.4 2,-0.2 5,-0.2 0.950 107.9 58.0 -68.1 -46.1 8.8 0.5 51.2 146 155 A M H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 3,-0.4 0.920 106.6 48.7 -44.2 -53.6 9.7 2.5 48.1 147 156 A L H X S+ 0 0 81 -4,-2.0 4,-3.1 1,-0.3 -1,-0.2 0.923 108.8 51.1 -54.1 -50.7 6.0 2.3 47.1 148 157 A Q H X S+ 0 0 86 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.823 114.8 45.9 -56.9 -30.9 4.9 3.5 50.5 149 158 A M H X S+ 0 0 2 -4,-2.4 4,-2.4 -3,-0.4 -2,-0.2 0.894 110.6 50.8 -79.2 -42.9 7.3 6.3 50.1 150 159 A Q H X S+ 0 0 54 -4,-3.2 4,-2.6 -5,-0.2 5,-0.2 0.907 110.3 52.1 -60.7 -41.5 6.3 7.1 46.5 151 160 A D H X S+ 0 0 115 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.964 109.3 47.6 -59.4 -53.5 2.7 7.2 47.7 152 161 A I H X S+ 0 0 36 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.893 114.0 48.1 -54.3 -45.9 3.5 9.7 50.6 153 162 A V H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.947 110.5 48.7 -63.3 -51.4 5.4 12.0 48.3 154 163 A L H X S+ 0 0 66 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.848 113.9 48.7 -60.0 -33.5 2.9 12.1 45.4 155 164 A N H X S+ 0 0 74 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.993 110.7 46.1 -69.4 -61.9 0.1 12.9 47.9 156 165 A E H < S+ 0 0 16 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.827 112.3 55.5 -49.4 -34.4 1.8 15.7 49.9 157 166 A V H >X S+ 0 0 4 -4,-2.0 3,-2.5 -5,-0.2 4,-1.6 0.977 106.8 46.5 -64.9 -53.6 2.8 17.1 46.5 158 167 A K H 3< S+ 0 0 139 -4,-2.0 4,-0.2 1,-0.3 -2,-0.2 0.882 106.2 62.9 -52.8 -39.1 -0.8 17.2 45.3 159 168 A K T 3< S+ 0 0 117 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.620 106.0 44.7 -62.9 -12.9 -1.6 18.8 48.6 160 169 A V T <4 S- 0 0 36 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.769 140.1 -27.6-100.0 -34.1 0.6 21.7 47.8 161 170 A D >< - 0 0 43 -4,-1.6 3,-2.0 -3,-0.1 -1,-0.2 -0.540 51.0-139.2 175.9 113.1 -0.6 22.3 44.2 162 171 A S T 3 S+ 0 0 96 1,-0.3 -4,-0.1 -4,-0.2 -3,-0.1 0.367 96.0 74.7 -65.9 6.7 -2.0 19.7 41.8 163 172 A E T 3 S+ 0 0 98 -5,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.677 75.5 100.0 -89.6 -20.9 -0.1 21.1 38.8 164 173 A Y < - 0 0 13 -3,-2.0 2,-0.5 -7,-0.2 24,-0.2 -0.364 60.6-158.2 -63.2 142.8 3.0 19.5 40.3 165 174 A I E -B 187 0B 74 22,-2.7 22,-1.1 -2,-0.0 2,-0.5 -0.980 8.4-169.1-126.4 116.3 4.1 16.2 38.7 166 175 A A E -B 186 0B 15 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.906 4.0-175.1-108.6 131.4 6.3 14.1 40.8 167 176 A T E -B 185 0B 30 18,-3.4 18,-3.8 -2,-0.5 2,-0.6 -0.984 21.1-139.5-131.2 130.8 8.1 11.0 39.4 168 177 A V E +B 184 0B 4 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.757 36.6 161.4 -86.0 119.0 10.2 8.4 41.2 169 178 A C >> + 0 0 1 14,-2.5 4,-1.0 -2,-0.6 3,-0.9 0.071 27.5 78.6-109.9-137.3 13.2 7.5 39.0 170 179 A G H 3> S- 0 0 5 93,-3.0 4,-1.0 1,-0.2 3,-0.2 -0.180 114.0 -26.7 62.7-160.1 16.5 5.9 39.8 171 180 A S H 34>S+ 0 0 21 1,-0.2 5,-2.3 2,-0.2 -1,-0.2 0.708 135.7 67.2 -60.3 -19.7 16.6 2.1 40.2 172 181 A F H X45S+ 0 0 11 -3,-0.9 3,-3.1 1,-0.2 4,-0.3 0.995 99.5 45.6 -63.4 -61.3 13.0 2.2 41.2 173 182 A R H 3<5S+ 0 0 52 -4,-1.0 -1,-0.2 1,-0.3 149,-0.2 0.728 106.3 63.0 -54.9 -22.6 11.7 3.3 37.8 174 183 A R T 3<5S- 0 0 53 -4,-1.0 -1,-0.3 147,-0.2 -2,-0.2 0.365 122.7-106.6 -85.1 7.2 13.9 0.6 36.3 175 184 A G T < 5 + 0 0 33 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.706 58.2 165.8 79.9 22.1 11.9 -2.0 38.2 176 185 A A < - 0 0 27 -5,-2.3 -1,-0.2 -4,-0.3 3,-0.1 -0.414 37.9-142.3 -70.2 145.4 14.4 -2.9 40.9 177 186 A E S S+ 0 0 163 -2,-0.1 -34,-3.1 1,-0.1 2,-0.3 0.493 89.4 26.4 -84.7 -3.5 12.9 -4.9 43.8 178 187 A S E S-A 142 0A 43 -36,-0.3 2,-0.3 -35,-0.1 3,-0.1 -0.975 72.7-155.8-152.0 156.1 15.2 -2.9 46.1 179 188 A S E -A 141 0A 0 -38,-2.1 -38,-4.7 -2,-0.3 3,-0.1 -0.985 23.2-141.6-140.5 150.2 16.8 0.5 46.0 180 189 A G S S- 0 0 32 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.912 87.2 -28.7 -71.1 -42.9 19.8 2.3 47.5 181 190 A D S S- 0 0 53 63,-0.1 2,-0.5 -40,-0.1 65,-0.2 -0.728 74.5 -83.8-151.0-162.2 17.8 5.5 47.9 182 191 A M E - c 0 246B 0 63,-1.5 65,-2.6 -2,-0.2 2,-0.5 -0.980 28.7-163.5-127.8 124.4 14.9 7.4 46.4 183 192 A D E - c 0 247B 26 -2,-0.5 -14,-2.5 -14,-0.4 2,-0.6 -0.925 8.4-168.3-108.7 123.4 15.2 9.7 43.4 184 193 A V E -Bc 168 248B 2 63,-2.6 65,-2.8 -2,-0.5 2,-0.4 -0.919 8.2-160.4-119.3 117.1 12.3 12.1 42.8 185 194 A L E -Bc 167 249B 2 -18,-3.8 -18,-3.4 -2,-0.6 2,-0.3 -0.745 17.3-164.9 -89.5 135.3 11.9 14.1 39.6 186 195 A L E +Bc 166 250B 2 63,-3.0 65,-2.4 -2,-0.4 2,-0.3 -0.917 11.6 175.0-123.6 151.5 9.6 17.1 40.0 187 196 A T E -B 165 0B 2 -22,-1.1 -22,-2.7 -2,-0.3 5,-0.1 -0.988 7.0-177.9-152.8 148.9 7.9 19.4 37.5 188 197 A H > - 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0 0 96 -5,-0.1 -4,-2.8 1,-0.1 -1,-0.4 -0.597 53.8-119.7 -79.6 131.0 29.9 24.3 20.8 298 307 A A B -H 292 0E 36 -2,-0.3 -6,-0.3 -6,-0.3 -1,-0.1 -0.394 23.6-136.4 -70.0 142.4 26.5 22.8 21.1 299 308 A G - 0 0 30 -8,-4.9 3,-0.1 1,-0.2 -1,-0.1 -0.172 48.2 -53.1 -85.4-172.8 23.8 23.9 18.8 300 309 A E S S- 0 0 164 1,-0.1 -1,-0.2 -10,-0.1 2,-0.1 -0.248 71.2 -91.0 -61.3 149.9 20.2 24.8 19.8 301 310 A P - 0 0 65 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.410 41.5-125.6 -65.2 136.5 18.4 22.1 21.8 302 311 A L - 0 0 51 -13,-2.5 -13,-0.4 -2,-0.1 2,-0.0 -0.607 31.0 -97.7 -84.3 142.2 16.4 19.6 19.6 303 312 A P - 0 0 102 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.315 40.5-166.0 -61.7 136.5 12.7 19.1 20.3 304 313 A V + 0 0 29 -50,-0.2 -47,-0.2 1,-0.1 3,-0.1 -0.987 25.1 169.1-131.1 126.8 11.8 16.0 22.4 305 314 A D S S+ 0 0 131 -2,-0.4 2,-0.3 1,-0.3 3,-0.1 0.301 74.1 2.2-114.0 5.3 8.4 14.3 22.9 306 315 A S S > S- 0 0 38 1,-0.1 4,-1.1 0, 0.0 3,-0.3 -0.953 74.1 -99.9-178.8 162.5 9.6 11.2 24.5 307 316 A E H >> S+ 0 0 13 -2,-0.3 4,-1.8 1,-0.2 3,-1.1 0.933 121.9 60.2 -59.6 -42.3 12.6 9.3 25.8 308 317 A K H 3> S+ 0 0 97 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.874 95.9 61.2 -53.4 -38.7 12.5 7.3 22.6 309 318 A D H 3> S+ 0 0 44 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.881 104.0 49.6 -55.2 -38.9 13.0 10.6 20.7 310 319 A I H S+ 0 0 0 -4,-1.8 5,-3.4 1,-0.2 4,-0.4 0.854 107.9 58.1 -66.4 -34.3 17.3 7.3 21.5 312 321 A D H ><5S+ 0 0 72 -4,-2.8 3,-1.5 3,-0.2 -2,-0.2 0.943 101.6 53.0 -60.6 -50.5 16.2 8.0 17.9 313 322 A Y H 3<5S+ 0 0 69 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.901 114.5 42.0 -52.0 -43.5 18.6 10.9 17.5 314 323 A I T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.488 117.1-117.6 -83.1 -2.8 21.5 8.7 18.7 315 324 A Q T < 5 + 0 0 144 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.901 65.0 142.9 66.7 45.4 20.1 5.9 16.5 316 325 A W < - 0 0 74 -5,-3.4 2,-0.3 -8,-0.2 -1,-0.2 -0.937 56.6-112.3-118.7 138.9 19.4 3.5 19.4 317 326 A K - 0 0 194 -2,-0.4 -5,-0.0 1,-0.1 -9,-0.0 -0.526 49.0 -97.3 -70.0 126.2 16.5 1.2 19.8 318 327 A Y - 0 0 91 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.021 39.3-159.9 -39.5 148.7 14.3 2.4 22.7 319 328 A R - 0 0 74 -3,-0.1 -1,-0.1 5,-0.0 5,-0.0 -0.974 14.5-131.8-139.0 119.2 15.0 0.6 26.0 320 329 A E > - 0 0 108 -2,-0.4 3,-3.5 1,-0.1 4,-0.2 -0.444 38.7 -99.6 -68.9 149.8 12.4 0.6 28.7 321 330 A P G > S+ 0 0 5 0, 0.0 3,-2.3 0, 0.0 -147,-0.2 0.800 121.2 71.7 -36.1 -39.1 13.9 1.5 32.1 322 331 A K G 3 S+ 0 0 95 1,-0.3 -148,-0.1 -149,-0.2 -2,-0.0 0.729 99.2 45.1 -53.6 -27.1 14.0 -2.2 32.8 323 332 A D G < S+ 0 0 101 -3,-3.5 2,-0.6 2,-0.0 -1,-0.3 0.211 87.3 107.6-105.4 16.5 16.8 -2.8 30.3 324 333 A R < 0 0 1 -3,-2.3 -55,-0.1 -4,-0.2 -56,-0.1 -0.848 360.0 360.0-100.2 122.4 19.0 0.2 31.3 325 334 A S 0 0 83 -2,-0.6 -59,-0.2 -59,-0.1 -1,-0.2 0.312 360.0 360.0-170.9 360.0 22.2 -0.7 33.2