==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-FEB-04 1S9F . COMPND 2 MOLECULE: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.TRINCAO,R.E.JOHNSON,W.T.WOLFLE,C.R.ESCALANTE,S.PRAKASH,L.P . 1364 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 995 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 82 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 471 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 3 1 0 4 4 7 5 8 0 0 0 1 3 0 4 8 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 8 0 0 4 8 4 4 4 4 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 . 0 0 8 4 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 1 A M 0 0 91 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 133.7 10.1 21.5 24.1 2 2 A I - 0 0 20 113,-0.1 109,-1.8 2,-0.0 110,-0.7 -0.982 360.0-167.4-123.9 122.5 12.6 19.1 22.5 3 3 A V E -AB 110 145A 0 142,-2.8 142,-1.8 -2,-0.5 2,-0.5 -0.918 5.6-161.6-113.6 134.2 12.4 18.3 18.8 4 4 A L E -AB 109 144A 0 105,-2.9 105,-2.6 -2,-0.4 2,-0.4 -0.958 9.0-163.1-118.0 117.4 14.3 15.4 17.0 5 5 A F E -AB 108 143A 0 138,-3.6 138,-2.7 -2,-0.5 2,-0.5 -0.835 1.1-159.9-102.9 133.5 14.6 15.6 13.3 6 6 A V E +AB 107 142A 0 101,-2.8 101,-1.7 -2,-0.4 2,-0.4 -0.959 10.5 178.5-115.6 130.4 15.6 12.6 11.1 7 7 A D E -AB 106 141A 4 134,-2.4 134,-2.5 -2,-0.5 99,-0.2 -0.932 25.3-133.3-135.8 107.6 17.0 13.0 7.7 8 8 A F E > - B 0 140A 1 97,-1.9 3,-0.7 -2,-0.4 132,-0.3 -0.341 32.3-109.1 -60.7 136.3 18.0 9.9 5.6 9 9 A D T 3 S- 0 0 2 130,-2.0 5,-0.3 1,-0.3 130,-0.2 -0.506 81.2 -30.8 -74.5 132.4 21.5 10.3 4.0 10 10 A Y T 3> S- 0 0 41 -2,-0.2 4,-2.8 3,-0.1 3,-0.4 0.788 86.9-166.3 25.5 53.1 21.6 10.7 0.2 11 11 A F H <> + 0 0 7 -3,-0.7 4,-2.7 1,-0.2 5,-0.2 0.714 68.5 41.0 -36.8 -64.3 18.5 8.6 0.2 12 12 A Y H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 120.8 44.6 -57.9 -47.5 17.7 7.4 -3.3 13 13 A A H > S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.899 112.8 52.2 -63.3 -39.5 21.4 6.7 -4.0 14 14 A Q H X S+ 0 0 6 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.907 106.6 53.2 -65.0 -40.0 21.8 5.0 -0.6 15 15 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.887 107.7 51.0 -61.3 -38.8 18.8 2.8 -1.3 16 16 A E H X S+ 0 0 10 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.866 109.1 51.4 -67.4 -33.9 20.4 1.7 -4.6 17 17 A E H < S+ 0 0 12 -4,-1.7 6,-0.3 2,-0.2 7,-0.3 0.888 110.1 49.0 -68.8 -38.9 23.6 0.9 -2.7 18 18 A V H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.4 46.1 -67.1 -38.7 21.8 -1.2 -0.2 19 19 A L H < S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.729 130.2 25.1 -75.6 -20.3 19.9 -3.1 -2.9 20 20 A N >< - 0 0 70 -4,-1.3 3,-2.4 -5,-0.2 -1,-0.3 -0.600 68.9-177.6-145.0 77.6 23.2 -3.6 -4.8 21 21 A P G > S+ 0 0 71 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.628 74.8 78.7 -51.0 -19.7 26.2 -3.4 -2.4 22 22 A S G 3 S+ 0 0 80 1,-0.3 -5,-0.1 3,-0.1 4,-0.1 0.674 86.0 63.6 -67.0 -13.1 28.7 -3.8 -5.3 23 23 A L G X S+ 0 0 10 -3,-2.4 3,-1.8 -6,-0.3 -1,-0.3 0.656 75.5 113.4 -83.6 -17.5 28.0 -0.1 -5.9 24 24 A K T < S+ 0 0 125 -3,-1.4 -10,-0.0 -7,-0.3 0, 0.0 -0.250 77.1 25.5 -56.3 139.5 29.5 1.0 -2.6 25 25 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.021 105.1 95.6 94.6 -28.7 32.7 3.0 -2.9 26 26 A K S < S- 0 0 102 -3,-1.8 2,-0.4 1,-0.1 -1,-0.3 -0.551 88.0 -98.1 -93.4 159.9 31.8 4.2 -6.4 27 27 A P - 0 0 29 0, 0.0 45,-2.6 0, 0.0 2,-0.4 -0.633 43.9-165.1 -76.9 131.8 30.1 7.5 -7.3 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.3 43,-0.2 2,-0.5 -0.983 8.8-171.4-123.1 130.6 26.4 6.8 -7.8 29 29 A V E -eF 73 46B 0 43,-3.2 45,-2.8 -2,-0.4 2,-0.6 -0.967 10.9-153.5-126.7 116.4 24.0 9.2 -9.5 30 30 A V E -eF 74 45B 0 15,-2.6 14,-2.7 -2,-0.5 15,-1.4 -0.794 25.4-162.2 -90.2 121.9 20.2 8.6 -9.5 31 31 A C E -eF 75 43B 1 43,-4.0 45,-2.7 -2,-0.6 2,-0.7 -0.747 28.5-143.9-113.7 154.3 18.7 10.3 -12.6 32 32 A V E - F 0 42B 71 10,-3.2 10,-1.6 -2,-0.3 2,-0.6 -0.915 26.6-158.8-110.0 98.4 15.3 11.5 -13.9 33 33 A F E - F 0 41B 84 -2,-0.7 8,-0.3 8,-0.2 5,-0.0 -0.732 8.1-166.9 -83.0 120.7 15.5 10.7 -17.6 34 34 A S - 0 0 34 6,-1.7 216,-0.2 -2,-0.6 7,-0.2 0.793 26.4-135.0 -78.7 -31.3 13.0 12.9 -19.5 35 35 A G S S+ 0 0 43 5,-0.7 3,-0.1 2,-0.4 6,-0.1 0.333 71.0 118.1 94.4 -7.8 13.2 11.0 -22.8 36 36 A R S S- 0 0 60 1,-0.2 2,-0.3 215,-0.0 5,-0.0 0.783 90.9 -25.3 -62.4 -27.7 13.4 14.0 -25.1 37 37 A F S > S- 0 0 125 3,-0.1 3,-2.4 0, 0.0 -2,-0.4 -0.972 98.1 -41.4-171.2 173.9 16.8 12.7 -26.2 38 38 A E T 3 S- 0 0 158 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.295 125.8 -9.2 -52.3 115.2 19.8 10.7 -25.2 39 39 A D T 3 S+ 0 0 32 1,-0.2 23,-0.4 -2,-0.1 -1,-0.3 0.657 89.8 156.2 68.7 18.9 20.5 11.5 -21.5 40 40 A S < + 0 0 5 -3,-2.4 -6,-1.7 21,-0.1 -5,-0.7 -0.550 37.0 62.1 -73.8 140.6 18.1 14.4 -21.4 41 41 A G E S-F 33 0B 26 -8,-0.3 20,-2.2 -2,-0.2 21,-0.4 -0.868 74.7 -80.2 139.3-173.3 17.0 15.0 -17.8 42 42 A A E -FG 32 60B 35 -10,-1.6 -10,-3.2 18,-0.3 2,-0.4 -0.854 34.4-102.6-130.4 164.6 18.2 15.9 -14.3 43 43 A V E -F 31 0B 4 16,-2.1 15,-3.2 -2,-0.3 -12,-0.2 -0.731 21.8-169.7 -86.6 127.9 20.0 14.4 -11.3 44 44 A A E - 0 0 29 -14,-2.7 2,-0.3 -2,-0.4 -13,-0.2 0.882 69.6 -36.2 -82.4 -44.1 17.6 13.6 -8.4 45 45 A T E -F 30 0B 16 -15,-1.4 -15,-2.6 11,-0.1 -1,-0.4 -0.969 53.1-151.3-169.6 165.6 20.5 12.9 -6.1 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.977 29.6-103.5-143.6 153.4 24.0 11.4 -5.9 47 47 A N > - 0 0 0 -19,-2.3 4,-1.5 -2,-0.3 3,-0.4 -0.177 45.2 -97.4 -70.6 175.7 26.0 9.7 -3.2 48 48 A Y H > S+ 0 0 55 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.771 120.6 63.7 -68.7 -23.9 28.8 11.7 -1.5 49 49 A E H 4 S+ 0 0 50 -23,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.908 107.8 43.2 -65.1 -38.5 31.5 10.3 -3.6 50 50 A A H >4>S+ 0 0 0 -3,-0.4 5,-1.7 -22,-0.2 3,-1.1 0.826 107.8 59.6 -74.3 -32.3 29.9 11.9 -6.7 51 51 A R H ><5S+ 0 0 81 -4,-1.5 3,-1.9 1,-0.3 -1,-0.2 0.782 91.0 68.6 -67.9 -26.4 29.3 15.2 -4.8 52 52 A K T 3<5S+ 0 0 87 -4,-1.3 595,-3.6 1,-0.3 -1,-0.3 0.815 101.8 49.2 -61.2 -25.7 33.0 15.6 -4.2 53 53 A F T < 5S- 0 0 30 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.340 128.2 -97.9 -95.3 4.8 33.2 16.1 -7.9 54 54 A G T < 5S+ 0 0 15 -3,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.484 75.6 141.7 94.9 1.7 30.4 18.7 -8.0 55 55 A V < + 0 0 0 -5,-1.7 2,-0.3 9,-0.1 -1,-0.3 -0.707 26.0 159.7 -80.9 116.8 27.6 16.4 -9.1 56 56 A K > - 0 0 135 -2,-0.7 3,-1.6 -3,-0.1 -13,-0.3 -0.921 46.3 -75.0-136.6 162.3 24.5 17.5 -7.1 57 57 A A T 3 S+ 0 0 56 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.210 112.4 31.0 -54.3 140.6 20.7 17.3 -7.3 58 58 A G T 3 S+ 0 0 58 -15,-3.2 -1,-0.2 1,-0.3 -14,-0.1 0.044 86.1 118.5 100.4 -27.6 19.2 19.5 -10.0 59 59 A I S < S- 0 0 11 -3,-1.6 -16,-2.1 1,-0.1 -1,-0.3 -0.427 74.4 -93.5 -77.0 149.9 22.0 19.6 -12.6 60 60 A P B > -G 42 0B 57 0, 0.0 4,-2.0 0, 0.0 -18,-0.3 -0.247 28.8-125.2 -57.9 146.7 21.4 18.2 -16.1 61 61 A I H > S+ 0 0 0 -20,-2.2 4,-2.5 -22,-0.2 5,-0.2 0.884 112.0 54.8 -61.6 -37.8 22.4 14.6 -16.5 62 62 A V H > S+ 0 0 55 -23,-0.4 4,-1.2 -21,-0.4 -1,-0.2 0.902 105.7 51.2 -63.6 -40.6 24.7 15.7 -19.4 63 63 A E H > S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.923 110.3 50.3 -61.8 -43.3 26.5 18.2 -17.2 64 64 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.4 0.922 109.2 50.6 -60.5 -45.2 27.0 15.4 -14.6 65 65 A K H < S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.702 105.6 56.7 -68.2 -18.9 28.4 13.1 -17.3 66 66 A K H < S+ 0 0 165 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.830 116.2 36.4 -77.8 -32.3 30.9 15.8 -18.5 67 67 A I H < S+ 0 0 47 -4,-1.4 585,-0.3 -3,-0.4 582,-0.3 0.831 137.1 17.8 -85.6 -39.5 32.2 16.0 -14.9 68 68 A L >< + 0 0 10 -4,-3.1 3,-1.5 -5,-0.2 -1,-0.2 -0.600 66.3 166.8-135.4 72.6 32.0 12.3 -14.0 69 69 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.779 78.3 47.6 -60.1 -27.0 31.7 10.2 -17.2 70 70 A N T 3 S+ 0 0 125 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.262 82.3 114.2-102.5 15.7 32.4 6.9 -15.4 71 71 A A S < S- 0 0 12 -3,-1.5 2,-0.7 1,-0.1 -43,-0.2 -0.222 80.4 -93.5 -72.4 172.2 30.1 7.2 -12.4 72 72 A V E -e 28 0B 31 -45,-2.6 -43,-3.2 -49,-0.1 2,-0.6 -0.827 40.7-159.7 -92.3 115.7 27.2 4.8 -12.1 73 73 A Y E -e 29 0B 38 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.0 -0.866 13.2-178.5-101.1 118.1 24.1 6.4 -13.6 74 74 A L E -e 30 0B 34 -45,-2.8 -43,-4.0 -2,-0.6 2,-0.2 -0.916 27.5-119.5-120.2 143.2 20.8 4.9 -12.5 75 75 A P E -e 31 0B 72 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.536 43.5 -99.9 -76.1 142.2 17.2 5.7 -13.4 76 76 A M - 0 0 55 -45,-2.7 2,-0.4 -2,-0.2 3,-0.1 -0.417 30.5-166.1 -66.2 133.4 15.0 6.8 -10.5 77 77 A R >> + 0 0 93 1,-0.1 4,-1.8 -2,-0.1 3,-1.0 -0.667 13.1 173.6-119.3 70.9 12.8 4.1 -9.0 78 78 A K H 3> S+ 0 0 82 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.805 73.2 58.7 -48.2 -40.8 10.5 6.2 -6.9 79 79 A E H 3> S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.871 107.4 47.8 -60.7 -39.5 8.2 3.3 -6.0 80 80 A V H <> S+ 0 0 35 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.958 112.1 48.2 -65.7 -51.1 11.1 1.4 -4.4 81 81 A Y H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.847 109.6 54.5 -59.6 -35.1 12.3 4.4 -2.5 82 82 A Q H X S+ 0 0 73 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.902 107.6 48.6 -67.2 -40.9 8.8 5.1 -1.2 83 83 A Q H X S+ 0 0 124 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.921 112.6 47.2 -66.6 -42.6 8.4 1.5 0.2 84 84 A V H X S+ 0 0 10 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.948 112.7 51.7 -62.1 -46.3 11.8 1.7 2.0 85 85 A S H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.911 107.0 51.4 -55.7 -47.0 10.8 5.1 3.3 86 86 A S H X S+ 0 0 49 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.866 109.5 50.8 -62.4 -35.5 7.4 4.0 4.7 87 87 A R H X S+ 0 0 104 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.951 112.7 45.6 -67.0 -46.2 9.1 1.1 6.5 88 88 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.899 110.2 54.2 -63.3 -39.9 11.6 3.5 8.1 89 89 A M H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.878 104.8 55.5 -61.3 -36.5 8.9 5.9 9.0 90 90 A N H X S+ 0 0 82 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.839 104.5 53.0 -65.3 -32.0 7.1 3.1 10.7 91 91 A L H >< S+ 0 0 18 -4,-1.3 3,-1.1 -3,-0.3 4,-0.3 0.911 107.1 52.1 -68.7 -39.6 10.2 2.5 12.9 92 92 A L H >X S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.2 4,-0.6 0.853 97.1 67.0 -63.5 -35.2 10.2 6.2 13.9 93 93 A R H 3< S+ 0 0 113 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.742 91.1 64.3 -57.9 -24.6 6.5 6.0 14.9 94 94 A E T << S+ 0 0 134 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.650 100.3 52.0 -74.0 -15.6 7.6 3.6 17.8 95 95 A Y T <4 S+ 0 0 24 -3,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.593 121.2 11.8 -97.1 -14.0 9.7 6.5 19.3 96 96 A S < - 0 0 6 -4,-0.6 -1,-0.3 -3,-0.4 15,-0.1 -0.957 45.4-152.0-164.5 145.2 7.0 9.1 19.4 97 97 A E S S+ 0 0 164 -2,-0.3 2,-1.2 13,-0.2 -1,-0.1 0.822 94.7 68.9 -82.3 -35.9 3.2 9.6 19.0 98 98 A K S S+ 0 0 90 12,-0.4 12,-2.6 2,-0.0 2,-0.4 -0.718 71.7 149.3 -87.6 94.2 3.8 13.2 17.9 99 99 A I E -C 109 0A 9 -2,-1.2 2,-0.6 10,-0.2 141,-0.4 -0.993 32.4-161.3-134.3 135.1 5.5 12.7 14.5 100 100 A E E -C 108 0A 14 8,-3.4 8,-2.7 -2,-0.4 2,-1.0 -0.928 7.7-156.1-119.1 109.0 5.5 14.8 11.4 101 101 A I E -C 107 0A 40 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.745 14.8-179.8 -83.3 104.3 6.5 13.2 8.1 102 102 A A E - 0 0 34 -2,-1.0 2,-0.3 4,-0.9 -1,-0.2 0.848 59.4 -32.0 -75.2 -37.3 7.6 16.2 6.2 103 103 A S E > S-C 106 0A 51 3,-1.6 3,-0.8 -3,-0.1 -1,-0.1 -0.893 86.3 -55.5-163.0-167.5 8.6 14.3 3.0 104 104 A I T 3 S+ 0 0 31 -2,-0.3 -15,-0.1 1,-0.2 3,-0.0 0.776 132.2 16.9 -59.1 -27.1 9.9 11.1 1.7 105 105 A D T 3 S+ 0 0 31 -97,-0.0 -97,-1.9 -17,-0.0 2,-0.3 0.147 112.5 74.2-136.7 27.8 13.1 11.2 3.8 106 106 A E E < +AC 7 103A 36 -3,-0.8 -3,-1.6 -99,-0.2 -4,-0.9 -0.996 46.4 168.5-140.7 143.0 12.5 13.7 6.6 107 107 A A E -AC 6 101A 0 -101,-1.7 -101,-2.8 -2,-0.3 2,-0.4 -0.982 21.8-144.6-156.3 142.6 10.5 13.6 9.7 108 108 A Y E -AC 5 100A 23 -8,-2.7 -8,-3.4 -2,-0.3 2,-0.4 -0.921 14.2-165.8-110.5 134.0 10.1 15.6 12.9 109 109 A L E -AC 4 99A 0 -105,-2.6 -105,-2.9 -2,-0.4 2,-0.9 -0.975 15.3-144.9-120.6 130.3 9.5 13.9 16.3 110 110 A D E +A 3 0A 18 -12,-2.6 -12,-0.4 -2,-0.4 3,-0.3 -0.844 29.4 164.7 -92.2 108.0 8.3 15.8 19.4 111 111 A I >> + 0 0 0 -109,-1.8 3,-2.6 -2,-0.9 4,-2.0 0.178 35.7 115.9-109.8 17.3 10.1 13.9 22.1 112 112 A S T 34 S+ 0 0 35 -110,-0.7 -1,-0.2 1,-0.3 -109,-0.1 0.769 83.8 44.9 -57.4 -25.5 9.6 16.5 24.9 113 113 A D T 34 S+ 0 0 124 -3,-0.3 -1,-0.3 -111,-0.1 -2,-0.1 0.270 113.7 52.4 -99.8 9.2 7.5 14.0 26.7 114 114 A K T <4 S+ 0 0 118 -3,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.661 108.3 41.0-114.3 -28.1 10.0 11.2 26.1 115 115 A V < - 0 0 15 -4,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.929 60.4-146.4-126.5 151.3 13.3 12.6 27.3 116 116 A R S S- 0 0 155 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.837 78.6 -15.2 -82.1 -35.0 14.3 14.7 30.3 117 117 A D S > S- 0 0 63 -115,-0.0 4,-2.0 0, 0.0 -1,-0.1 -0.831 80.8 -78.6-152.9-172.8 17.1 16.7 28.6 118 118 A Y H > S+ 0 0 48 -2,-0.2 4,-2.4 2,-0.2 5,-0.1 0.720 121.6 63.7 -72.4 -21.0 19.3 17.0 25.6 119 119 A R H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.973 110.6 37.3 -65.0 -52.3 21.6 14.3 27.1 120 120 A E H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.853 113.7 57.6 -66.1 -35.9 18.8 11.8 26.9 121 121 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.918 106.0 50.3 -60.7 -42.3 17.6 13.3 23.6 122 122 A Y H X S+ 0 0 94 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.911 110.1 50.1 -62.1 -42.6 21.1 12.6 22.1 123 123 A N H X S+ 0 0 73 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.878 108.5 50.9 -64.6 -39.4 20.9 9.0 23.4 124 124 A L H X S+ 0 0 22 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.893 107.9 55.8 -64.2 -36.7 17.5 8.5 21.8 125 125 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.924 107.7 46.6 -59.9 -45.7 19.0 9.8 18.6 126 126 A L H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.873 112.2 51.3 -64.8 -36.3 21.7 7.2 18.7 127 127 A E H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.891 109.3 50.1 -68.2 -38.9 19.1 4.5 19.4 128 128 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.925 111.4 48.3 -65.2 -42.9 17.0 5.7 16.5 129 129 A K H X S+ 0 0 26 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 112.8 48.1 -63.0 -46.4 20.1 5.6 14.2 130 130 A N H X S+ 0 0 103 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.871 110.3 52.0 -62.6 -38.1 21.0 2.1 15.4 131 131 A K H X S+ 0 0 53 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.928 112.3 44.3 -64.9 -44.5 17.5 0.8 14.9 132 132 A I H X>S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 6,-1.0 0.878 114.9 49.5 -67.6 -36.6 17.2 2.0 11.3 133 133 A L H X5S+ 0 0 72 -4,-2.3 4,-1.2 4,-0.2 -2,-0.2 0.915 113.7 46.4 -67.4 -42.4 20.7 0.7 10.6 134 134 A E H <5S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.940 122.2 34.0 -63.9 -51.2 19.8 -2.6 12.1 135 135 A K H <5S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.912 139.1 11.8 -74.9 -46.9 16.5 -3.0 10.4 136 136 A E H <5S- 0 0 35 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.433 87.9-126.7-115.2 -1.1 17.1 -1.3 7.0 137 137 A K << + 0 0 125 -4,-1.2 2,-0.4 -5,-0.6 -4,-0.2 0.833 64.6 136.6 57.5 34.6 20.9 -0.9 6.8 138 138 A I - 0 0 2 -6,-1.0 2,-0.3 -9,-0.1 -1,-0.2 -0.935 48.6-139.7-115.9 134.2 20.3 2.8 6.1 139 139 A T - 0 0 32 -2,-0.4 -130,-2.0 -130,-0.2 2,-0.3 -0.704 24.5-179.3 -92.0 144.6 22.3 5.6 7.7 140 140 A V E -B 8 0A 1 -2,-0.3 2,-0.4 -132,-0.3 -132,-0.2 -0.915 24.1-125.4-138.0 162.5 20.5 8.8 8.7 141 141 A T E -B 7 0A 0 -134,-2.5 -134,-2.4 -2,-0.3 2,-0.5 -0.932 21.2-151.7-112.4 137.5 21.4 12.1 10.3 142 142 A V E -Bd 6 163A 0 20,-2.1 22,-2.1 -2,-0.4 2,-0.5 -0.924 6.7-166.1-112.3 131.5 19.6 13.3 13.5 143 143 A G E -Bd 5 164A 0 -138,-2.7 -138,-3.6 -2,-0.5 2,-0.4 -0.962 8.1-171.0-116.1 132.2 19.2 17.0 14.4 144 144 A I E +Bd 4 165A 0 20,-2.7 22,-2.7 -2,-0.5 2,-0.2 -0.980 22.5 118.3-128.4 130.0 18.1 18.0 17.9 145 145 A S E -B 3 0A 0 -142,-1.8 -142,-2.8 -2,-0.4 22,-0.1 -0.891 69.7 -72.5-162.9-166.6 17.0 21.3 19.3 146 146 A K S S+ 0 0 44 20,-0.4 2,-0.3 -2,-0.2 -142,-0.1 0.625 108.0 11.4 -79.9 -15.7 14.3 23.4 20.9 147 147 A N S > S- 0 0 1 -144,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.953 84.8 -93.7-153.0 171.4 12.1 23.7 17.8 148 148 A K H > S+ 0 0 26 87,-0.4 4,-2.1 -2,-0.3 5,-0.2 0.851 116.5 55.1 -59.2 -39.7 11.6 22.3 14.3 149 149 A V H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 113.7 39.1 -63.0 -47.9 13.7 25.0 12.5 150 150 A F H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.731 110.6 59.4 -76.2 -19.9 16.8 24.5 14.6 151 151 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.934 110.3 43.8 -70.0 -43.2 16.4 20.7 14.7 152 152 A K H X S+ 0 0 39 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.906 110.8 53.4 -65.6 -43.5 16.6 20.8 10.9 153 153 A I H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.906 106.9 54.2 -58.5 -39.0 19.5 23.2 10.9 154 154 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.915 108.2 48.1 -60.9 -44.5 21.3 20.8 13.3 155 155 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.2 0.901 108.7 54.3 -63.6 -40.7 20.8 18.0 10.8 156 156 A D H < S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 109.9 47.8 -59.6 -40.3 22.1 20.2 7.9 157 157 A M H < S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.761 119.0 39.7 -71.4 -25.8 25.3 20.9 10.0 158 158 A A H < S+ 0 0 24 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.679 87.5 151.3-101.4 -19.1 25.8 17.2 10.8 159 159 A K < + 0 0 67 -4,-2.4 2,-0.1 -5,-0.1 4,-0.1 -0.239 39.0 50.2 -63.4 150.6 25.0 15.2 7.7 160 160 A P S S- 0 0 53 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.589 130.5 -20.3 -93.6 165.7 25.8 12.7 6.5 161 161 A N S S+ 0 0 96 1,-0.2 2,-0.2 -2,-0.1 -20,-0.2 0.866 106.5 126.9 50.2 44.8 25.6 9.9 9.1 162 162 A G - 0 0 14 -7,-0.1 -20,-2.1 2,-0.0 2,-0.3 -0.636 50.3-151.4-124.7-178.2 25.7 12.4 12.0 163 163 A I E +d 142 0A 29 -22,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.938 20.4 177.9-153.1 128.9 23.9 13.5 15.1 164 164 A K E -d 143 0A 41 -22,-2.1 -20,-2.7 -2,-0.3 2,-0.5 -0.996 17.3-157.4-143.7 135.8 24.0 17.1 16.4 165 165 A V E -d 144 0A 35 -2,-0.4 2,-0.7 -22,-0.2 -20,-0.2 -0.934 5.0-162.6-110.8 131.0 22.4 18.9 19.4 166 166 A I - 0 0 0 -22,-2.7 -20,-0.4 -2,-0.5 -12,-0.1 -0.917 19.7-161.0-113.4 100.6 22.0 22.7 19.2 167 167 A D >> - 0 0 74 -2,-0.7 4,-2.0 -22,-0.1 3,-0.7 -0.211 35.5 -89.6 -77.9 172.0 21.4 23.9 22.7 168 168 A D H 3> S+ 0 0 69 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.812 126.5 51.5 -49.6 -38.6 19.9 27.2 23.9 169 169 A E H 3> S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.866 110.5 47.9 -70.8 -34.9 23.3 28.9 23.9 170 170 A E H <> S+ 0 0 39 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.808 106.4 57.5 -75.4 -27.9 24.1 27.8 20.4 171 171 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.943 107.5 48.3 -64.6 -45.4 20.6 28.9 19.2 172 172 A K H X S+ 0 0 100 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.904 112.2 49.0 -60.5 -41.8 21.4 32.4 20.4 173 173 A R H X S+ 0 0 86 -4,-1.7 4,-2.4 1,-0.2 3,-0.4 0.918 111.9 48.8 -64.3 -43.2 24.8 32.2 18.7 174 174 A L H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 28,-0.3 0.885 102.4 61.2 -65.1 -38.7 23.2 31.1 15.5 175 175 A I H < S+ 0 0 13 -4,-2.8 28,-2.4 1,-0.2 29,-0.3 0.862 116.8 33.8 -55.7 -33.2 20.6 33.9 15.6 176 176 A R H < S+ 0 0 132 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.775 132.0 27.1 -94.1 -28.7 23.5 36.3 15.4 177 177 A E H < S+ 0 0 96 -4,-2.4 2,-0.3 -5,-0.1 -3,-0.2 0.665 89.1 101.8-111.0 -19.6 26.0 34.4 13.2 178 178 A L S < S- 0 0 24 -4,-2.8 24,-0.6 -5,-0.3 2,-0.2 -0.497 77.8-115.7 -70.9 130.0 24.0 32.1 10.9 179 179 A D B > -H 201 0C 59 -2,-0.3 3,-2.1 1,-0.2 22,-0.2 -0.482 21.2-133.3 -64.2 130.0 23.6 33.4 7.4 180 180 A I G > S+ 0 0 1 20,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.706 102.1 70.0 -60.4 -19.8 19.9 33.9 7.0 181 181 A A G 3 S+ 0 0 38 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.760 93.0 58.5 -68.9 -23.6 20.0 32.2 3.6 182 182 A D G < S+ 0 0 102 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.390 81.8 104.8 -86.4 1.8 20.6 28.9 5.5 183 183 A V S X S- 0 0 2 -3,-1.3 3,-1.9 -4,-0.1 -33,-0.1 -0.706 87.0-100.5 -83.7 132.9 17.4 29.3 7.4 184 184 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.234 108.5 27.9 -53.0 134.5 14.6 26.9 6.2 185 185 A G T 3 S+ 0 0 60 1,-0.2 2,-0.7 -4,-0.1 5,-0.1 0.350 93.0 108.1 95.4 -7.1 12.2 28.7 3.9 186 186 A I < + 0 0 12 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.1 -0.884 45.1 173.2-108.5 104.8 14.6 31.3 2.7 187 187 A G > - 0 0 40 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.293 50.5 -81.2 -97.2-173.0 15.6 30.7 -0.9 188 188 A N H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 127.3 51.1 -56.0 -47.2 17.7 32.8 -3.3 189 189 A I H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.944 115.6 40.4 -58.0 -50.3 14.8 35.1 -4.2 190 190 A T H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 112.1 57.2 -67.6 -35.8 13.9 35.9 -0.6 191 191 A A H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.876 107.9 47.8 -62.1 -37.7 17.6 36.1 0.4 192 192 A E H X S+ 0 0 108 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.873 108.7 53.0 -71.3 -38.5 18.2 38.8 -2.2 193 193 A K H X S+ 0 0 88 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.919 111.7 46.8 -61.0 -43.2 15.1 40.8 -1.1 194 194 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-1.3 0.882 105.5 60.0 -65.4 -40.1 16.5 40.7 2.5 195 195 A K H ><5S+ 0 0 83 -4,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.913 99.9 56.2 -53.1 -46.5 20.0 41.7 1.2 196 196 A K H 3<5S+ 0 0 81 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 107.5 49.1 -60.4 -22.0 18.4 44.9 -0.1 197 197 A L T <<5S- 0 0 28 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.354 120.9-111.0 -97.5 3.4 17.1 45.6 3.4 198 198 A G T < 5S+ 0 0 48 -3,-2.3 2,-0.6 -4,-0.2 -3,-0.2 0.792 71.7 142.4 72.4 28.2 20.6 44.9 4.8 199 199 A I < + 0 0 2 -5,-2.6 -1,-0.2 1,-0.1 -2,-0.2 -0.910 5.4 141.1-107.6 115.4 19.4 41.8 6.5 200 200 A N + 0 0 59 -2,-0.6 -20,-2.5 1,-0.2 2,-0.3 0.375 66.4 46.0-128.2 -6.3 21.9 38.9 6.5 201 201 A K B > S-H 179 0C 59 -22,-0.2 3,-0.8 -21,-0.1 4,-0.5 -0.969 82.3-117.8-138.4 151.9 21.3 37.4 9.9 202 202 A L G > S+ 0 0 1 -24,-0.6 3,-2.2 -28,-0.3 4,-0.2 0.915 114.9 59.5 -55.1 -44.9 18.2 36.6 11.9 203 203 A V G > S+ 0 0 47 -28,-2.4 3,-2.2 1,-0.3 -1,-0.3 0.839 93.1 68.5 -54.4 -32.8 19.1 39.2 14.5 204 204 A D G X S+ 0 0 46 -3,-0.8 3,-1.5 1,-0.3 -1,-0.3 0.727 85.3 68.5 -59.4 -23.7 19.1 41.8 11.8 205 205 A T G < S+ 0 0 2 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.2 0.562 93.4 59.5 -74.1 -5.5 15.3 41.4 11.5 206 206 A L G < S+ 0 0 79 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.401 98.7 57.6 -99.6 0.4 15.1 43.0 15.0 207 207 A S S < S+ 0 0 110 -3,-1.5 2,-0.3 -4,-0.2 -2,-0.2 0.380 98.5 68.7-108.7 -0.2 16.8 46.2 13.9 208 208 A I S S- 0 0 32 -4,-0.3 2,-0.2 -3,-0.2 -11,-0.0 -0.834 92.9 -93.3-119.3 156.8 14.3 47.1 11.1 209 209 A E > - 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