==== 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 08-SEP-04 1XDU . COMPND 2 MOLECULE: PROTEIN RDMB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PURPURASCENS; . AUTHOR A.JANSSON,H.KOSKINIEMI,A.EROLA,J.WANG,P.MANTSALA,G.SCHNEIDER . 341 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.6 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 . 0 0.0 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 . 14 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 4 2 0 4 0 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 L 0 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.4 46.9 31.9 42.6 2 11 A E - 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.936 360.0-113.4-133.7 110.0 48.4 32.7 39.1 3 12 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.076 34.3-142.9 -47.2 131.0 46.1 34.2 36.5 4 13 A T > - 0 0 69 1,-0.1 4,-1.2 0, 0.0 5,-0.1 -0.248 24.8-102.6 -89.3 178.1 45.6 31.8 33.5 5 14 A D H > S+ 0 0 151 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.830 123.6 52.8 -71.5 -34.1 45.2 32.6 29.8 6 15 A Q H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 103.6 59.2 -65.6 -38.8 41.5 32.2 30.0 7 16 A D H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.862 106.0 46.8 -55.4 -42.8 41.4 34.7 32.9 8 17 A L H X S+ 0 0 99 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.886 107.7 56.3 -69.3 -40.6 42.9 37.4 30.7 9 18 A D H X S+ 0 0 74 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.886 107.2 50.3 -55.0 -41.0 40.5 36.7 27.9 10 19 A V H X>S+ 0 0 73 -4,-1.9 5,-1.6 2,-0.2 4,-1.4 0.841 110.4 48.9 -70.5 -34.4 37.6 37.3 30.3 11 20 A L H <>S+ 0 0 95 -4,-1.4 5,-2.3 3,-0.2 -2,-0.2 0.914 118.4 38.6 -70.2 -43.4 39.1 40.6 31.5 12 21 A L H <5S+ 0 0 110 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.937 123.5 38.5 -72.1 -48.2 39.7 41.9 28.0 13 22 A K H <5S- 0 0 137 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.723 136.6 -4.4 -78.4 -25.9 36.5 40.6 26.3 14 23 A N T ><5S+ 0 0 102 -4,-1.4 3,-2.7 -5,-0.3 -3,-0.2 0.522 120.9 46.4-130.5 -83.5 34.1 41.1 29.1 15 24 A L T 3 + 0 0 126 -2,-0.9 4,-1.1 2,-0.1 -1,-0.2 0.708 67.2 66.2 -89.5 -24.5 33.9 49.2 27.7 19 28 A V H > S+ 0 0 99 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.905 97.3 52.0 -66.5 -43.0 33.8 49.2 23.9 20 29 A T H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.928 105.7 50.7 -65.7 -49.7 31.3 46.4 23.4 21 30 A P H > S+ 0 0 47 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.847 112.0 50.5 -57.2 -33.1 28.5 47.7 25.8 22 31 A X H X S+ 0 0 70 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.806 108.4 51.9 -71.5 -32.1 28.7 51.0 24.0 23 32 A A H X S+ 0 0 7 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.844 107.6 52.9 -69.3 -34.4 28.5 49.2 20.6 24 33 A L H X S+ 0 0 29 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.841 109.2 49.5 -69.9 -32.9 25.4 47.5 21.9 25 34 A R H X S+ 0 0 29 -4,-1.3 4,-2.4 2,-0.2 78,-0.5 0.893 109.9 48.7 -75.0 -41.9 23.8 50.8 22.8 26 35 A V H X S+ 0 0 48 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.876 111.4 52.4 -62.5 -35.3 24.5 52.5 19.4 27 36 A A H <>S+ 0 0 3 -4,-1.7 5,-2.2 2,-0.2 6,-0.3 0.917 113.3 42.0 -69.3 -43.2 23.0 49.3 17.8 28 37 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.874 113.3 54.6 -66.9 -38.5 19.8 49.5 19.8 29 38 A T H 3<5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.870 109.1 45.6 -66.7 -40.5 19.6 53.3 19.4 30 39 A L T 3<5S- 0 0 41 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.358 109.7-124.1 -84.1 3.3 19.8 53.2 15.6 31 40 A R T <>5 + 0 0 96 -3,-1.0 4,-2.2 -4,-0.1 -3,-0.2 0.903 51.9 162.2 57.5 46.7 17.2 50.4 15.6 32 41 A L H >< + 0 0 2 -5,-2.2 4,-1.2 2,-0.2 5,-0.1 0.901 66.7 48.3 -68.0 -48.0 19.6 48.3 13.6 33 42 A V H > S+ 0 0 3 -6,-0.3 4,-1.8 56,-0.3 3,-0.3 0.899 113.2 48.7 -63.4 -42.6 18.1 44.9 14.3 34 43 A D H > S+ 0 0 39 55,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.903 109.6 52.5 -60.9 -43.6 14.6 46.2 13.4 35 44 A H H <>S+ 0 0 53 -4,-2.2 5,-1.3 1,-0.2 -1,-0.2 0.738 109.5 50.5 -66.1 -23.0 16.0 47.8 10.2 36 45 A L H ><5S+ 0 0 12 -4,-1.2 3,-0.9 -3,-0.3 -1,-0.2 0.847 108.5 49.3 -82.5 -37.0 17.5 44.4 9.2 37 46 A L H 3<5S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.713 101.1 66.6 -76.1 -20.5 14.3 42.3 9.7 38 47 A A T 3<5S- 0 0 88 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.1 0.021 132.5 -81.2 -90.4 25.9 12.4 44.9 7.6 39 48 A G T < 5S+ 0 0 46 -3,-0.9 2,-0.2 1,-0.3 -3,-0.2 0.204 89.7 131.8 99.5 -16.1 14.3 43.9 4.5 40 49 A A < + 0 0 0 -5,-1.3 -1,-0.3 -6,-0.2 3,-0.1 -0.537 13.5 136.8 -68.3 134.3 17.5 45.9 5.0 41 50 A D + 0 0 79 -2,-0.2 39,-1.1 -3,-0.1 -1,-0.2 0.434 41.0 87.4-154.2 -30.2 20.5 43.7 4.4 42 51 A T S > S- 0 0 81 1,-0.1 4,-1.8 37,-0.1 -1,-0.1 -0.472 75.4-130.2 -68.4 153.7 23.1 45.6 2.3 43 52 A L H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 109.8 48.8 -71.3 -48.4 25.5 47.8 4.3 44 53 A A H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.826 110.8 53.3 -60.2 -33.5 24.9 50.9 2.2 45 54 A G H > S+ 0 0 12 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.940 109.8 47.0 -62.3 -48.5 21.2 50.2 2.6 46 55 A L H < S+ 0 0 0 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.829 108.8 53.9 -64.7 -37.0 21.5 50.0 6.4 47 56 A A H X>S+ 0 0 6 -4,-2.3 5,-1.9 1,-0.2 4,-0.6 0.804 107.3 52.9 -68.3 -30.3 23.6 53.2 6.6 48 57 A D H ><5S+ 0 0 120 -4,-1.1 3,-0.6 -3,-0.3 -2,-0.2 0.903 107.6 48.4 -72.7 -42.3 20.9 55.1 4.7 49 58 A R T 3<5S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.471 119.5 41.0 -79.1 -1.3 18.1 54.1 7.0 50 59 A T T 345S- 0 0 18 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.403 101.5-127.9-120.1 -1.0 20.2 55.1 10.0 51 60 A D T <<5 + 0 0 152 -4,-0.6 2,-0.2 -3,-0.6 -3,-0.2 0.863 62.9 140.7 53.2 40.4 21.8 58.4 8.7 52 61 A T < - 0 0 40 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.631 64.6 -89.1-109.3 165.4 25.2 57.0 9.6 53 62 A H > - 0 0 120 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.642 35.4-139.5 -69.9 120.8 28.6 57.0 8.1 54 63 A P H > S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.908 99.9 41.0 -48.8 -48.9 28.8 54.0 5.8 55 64 A Q H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.907 115.6 47.7 -72.7 -44.5 32.4 53.1 6.8 56 65 A A H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.857 113.4 50.8 -63.1 -35.1 32.1 53.9 10.5 57 66 A L H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.862 105.3 56.1 -67.8 -37.1 28.9 51.8 10.4 58 67 A S H X S+ 0 0 27 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.882 109.1 47.4 -61.1 -37.0 30.8 48.9 8.7 59 68 A R H X S+ 0 0 156 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.816 109.8 50.5 -78.1 -34.2 33.3 48.9 11.5 60 69 A L H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.876 112.9 48.9 -65.6 -37.3 30.6 48.9 14.2 61 70 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.841 105.5 56.0 -75.9 -34.3 29.0 46.0 12.4 62 71 A R H X S+ 0 0 167 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.923 112.5 43.6 -57.9 -45.1 32.3 44.1 12.1 63 72 A H H X S+ 0 0 60 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.881 112.5 51.1 -70.9 -40.5 32.7 44.3 15.9 64 73 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 6,-0.9 0.878 109.3 52.5 -63.1 -38.4 29.0 43.4 16.5 65 74 A T H ><5S+ 0 0 49 -4,-2.5 3,-1.4 4,-0.2 -2,-0.2 0.937 107.8 51.4 -58.3 -48.5 29.4 40.4 14.2 66 75 A V H 3<5S+ 0 0 122 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.835 108.4 50.1 -61.5 -37.7 32.4 39.2 16.2 67 76 A V T 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.421 121.3-106.3 -84.9 0.1 30.7 39.4 19.6 68 77 A G T < 5S+ 0 0 28 -3,-1.4 18,-0.3 -4,-0.3 17,-0.3 0.805 90.7 112.4 83.0 31.9 27.7 37.4 18.2 69 78 A V S - 0 0 19 -14,-2.1 4,-0.9 -15,-0.1 -12,-0.1 -0.489 38.7 -92.7 -90.0 170.6 21.8 36.2 15.5 84 93 A R T >4 S+ 0 0 218 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.931 133.8 47.7 -42.5 -51.3 19.6 34.4 18.0 85 94 A L G >4 S+ 0 0 85 -17,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.909 105.8 58.2 -58.8 -46.0 21.2 36.7 20.6 86 95 A G G >4 S+ 0 0 0 -17,-0.3 3,-1.0 -18,-0.3 -1,-0.2 0.547 86.3 76.4 -66.8 -10.7 20.7 39.8 18.5 87 96 A X G X< S+ 0 0 73 -3,-1.0 3,-1.6 -4,-0.9 -1,-0.3 0.640 77.7 76.2 -73.4 -16.6 16.9 39.3 18.4 88 97 A L G < S+ 0 0 63 -3,-1.7 10,-0.7 1,-0.3 9,-0.5 0.785 90.0 57.8 -59.9 -27.7 16.9 40.6 22.0 89 98 A L G < S+ 0 0 10 -3,-1.0 -55,-0.4 -4,-0.2 2,-0.3 0.209 78.7 115.1 -90.6 13.5 17.4 44.1 20.4 90 99 A A S X S- 0 0 15 -3,-1.6 3,-1.2 -57,-0.2 8,-0.4 -0.661 76.3-120.0 -80.9 145.4 14.2 43.9 18.3 91 100 A D T 3 S+ 0 0 85 -2,-0.3 8,-0.1 1,-0.3 -1,-0.1 0.833 107.2 46.3 -56.4 -39.5 11.6 46.5 19.3 92 101 A G T 3 S+ 0 0 72 6,-0.0 -1,-0.3 3,-0.0 -4,-0.1 0.569 75.5 122.2 -84.7 -11.3 8.9 44.0 20.2 93 102 A H X - 0 0 68 -3,-1.2 3,-2.1 -6,-0.2 5,-0.2 -0.319 66.7-129.5 -58.8 131.1 10.9 41.5 22.2 94 103 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 0.626 102.6 66.2 -62.4 -16.8 9.2 41.3 25.7 95 104 A A T 3 S- 0 0 43 -7,-0.1 -2,-0.1 1,-0.0 -7,-0.1 0.614 93.5-144.2 -79.7 -14.8 12.4 41.8 27.6 96 105 A Q <> + 0 0 91 -3,-2.1 4,-1.8 -6,-0.2 3,-0.3 0.769 47.0 147.3 63.0 31.9 12.7 45.4 26.2 97 106 A Q H > + 0 0 68 -9,-0.5 4,-1.8 1,-0.2 -8,-0.2 0.806 66.9 61.8 -71.0 -29.3 16.5 45.4 25.9 98 107 A R H > S+ 0 0 15 -10,-0.7 4,-0.7 -8,-0.4 -1,-0.2 0.900 110.6 42.2 -58.0 -38.7 16.4 47.6 22.8 99 108 A A H 4 S+ 0 0 34 -3,-0.3 9,-0.3 2,-0.2 -2,-0.2 0.831 110.4 55.0 -76.9 -36.7 14.7 50.2 25.0 100 109 A W H < S+ 0 0 64 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.819 115.3 40.1 -64.4 -32.6 17.1 49.6 28.0 101 110 A L H < S+ 0 0 26 -4,-1.8 -72,-0.2 -5,-0.1 -1,-0.2 0.592 85.8 120.2 -93.8 -13.1 20.1 50.2 25.8 102 111 A D >< - 0 0 18 -4,-0.7 3,-1.8 -5,-0.2 6,-0.5 -0.364 55.1-151.4 -61.5 120.4 18.6 53.2 23.9 103 112 A L T 3 S+ 0 0 41 -78,-0.5 -1,-0.2 1,-0.3 -77,-0.1 0.586 96.3 64.3 -69.5 -14.4 20.7 56.3 24.4 104 113 A N T 3 S+ 0 0 115 4,-0.0 -1,-0.3 -5,-0.0 2,-0.3 0.399 95.1 86.5 -80.3 -1.0 17.6 58.4 23.8 105 114 A G S <> S- 0 0 5 -3,-1.8 4,-2.6 -6,-0.1 5,-0.2 -0.725 88.0-116.5-110.4 154.0 16.3 56.8 27.0 106 115 A A H > S+ 0 0 1 40,-0.4 4,-2.4 39,-0.3 5,-0.2 0.842 108.5 48.3 -55.2 -45.0 16.8 57.7 30.7 107 116 A V H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 116.5 39.7 -70.9 -48.8 18.7 54.6 31.8 108 117 A S H > S+ 0 0 1 -6,-0.5 4,-1.2 -9,-0.3 -1,-0.2 0.902 115.5 53.7 -64.6 -43.0 21.3 54.4 28.9 109 118 A H H < S+ 0 0 41 -4,-2.6 3,-0.4 -7,-0.4 4,-0.4 0.926 114.7 41.3 -53.2 -46.0 21.6 58.2 29.1 110 119 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.2 4,-0.3 0.834 104.0 66.3 -72.9 -34.0 22.4 57.9 32.8 111 120 A D H >< S+ 0 0 16 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.800 91.0 66.1 -55.7 -30.1 24.6 54.8 32.3 112 121 A L G >< S+ 0 0 31 -4,-1.2 3,-1.7 -3,-0.4 -1,-0.3 0.819 84.6 71.8 -63.9 -30.3 27.0 57.2 30.5 113 122 A A G X S+ 0 0 2 -3,-1.4 3,-2.2 -4,-0.4 -1,-0.3 0.629 73.1 87.5 -59.4 -16.0 27.6 59.0 33.8 114 123 A F G X + 0 0 60 -3,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.626 66.9 79.2 -61.3 -15.5 29.6 55.9 34.9 115 124 A T G < S+ 0 0 110 -3,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.654 91.3 54.6 -64.1 -15.9 32.7 57.4 33.3 116 125 A G G <> S+ 0 0 25 -3,-2.2 4,-1.3 1,-0.2 3,-0.3 -0.047 71.9 117.8-103.1 30.3 32.8 59.5 36.5 117 126 A L H <> + 0 0 55 -3,-1.5 4,-1.6 1,-0.2 5,-0.2 0.727 64.9 64.9 -72.0 -25.6 32.8 56.4 38.8 118 127 A L H > S+ 0 0 104 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.944 107.7 41.0 -58.3 -48.2 36.2 57.3 40.2 119 128 A D H > S+ 0 0 95 -3,-0.3 4,-2.8 2,-0.2 6,-0.5 0.781 108.6 60.1 -72.6 -30.9 34.7 60.4 41.8 120 129 A V H X S+ 0 0 2 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.863 111.4 41.5 -63.4 -35.6 31.5 58.6 42.8 121 130 A V H < S+ 0 0 106 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.855 116.5 49.1 -79.3 -35.3 33.7 56.3 44.9 122 131 A R H < S+ 0 0 180 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.917 130.3 17.3 -69.4 -45.0 35.9 59.1 46.2 123 132 A T H < S- 0 0 80 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.624 90.3-130.7-103.5 -21.2 33.1 61.5 47.2 124 133 A G < + 0 0 41 -4,-1.2 -4,-0.2 -5,-0.5 -3,-0.1 0.544 68.1 127.0 74.3 6.2 30.1 59.2 47.4 125 134 A R - 0 0 189 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.736 67.0-101.8 -96.4 146.4 28.2 61.8 45.3 126 135 A P - 0 0 53 0, 0.0 4,-0.2 0, 0.0 169,-0.2 -0.178 17.8-143.9 -66.0 158.6 26.4 60.8 42.1 127 136 A A S > S+ 0 0 17 168,-2.0 4,-1.2 1,-0.1 3,-0.3 0.505 77.4 92.5 -99.8 -9.3 28.0 61.6 38.7 128 137 A Y H >> S+ 0 0 2 167,-1.1 4,-2.4 1,-0.2 3,-0.5 0.878 85.7 48.8 -56.2 -45.7 24.9 62.5 36.8 129 138 A A H 3> S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 105.2 59.1 -65.6 -36.5 25.0 66.2 37.4 130 139 A G H 34 S+ 0 0 78 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.803 115.0 36.6 -61.0 -30.6 28.7 66.4 36.4 131 140 A R H << S+ 0 0 120 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.930 128.7 25.0 -85.3 -51.9 27.7 65.1 33.0 132 141 A Y H < S- 0 0 50 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.456 98.3-113.3-106.5 -4.5 24.4 66.6 32.1 133 142 A G S < S+ 0 0 67 -4,-1.8 -4,-0.1 -5,-0.3 -3,-0.1 -0.067 90.0 52.7 100.9 -35.2 24.1 69.8 34.1 134 143 A R S S- 0 0 116 -6,-0.2 -2,-0.2 2,-0.0 -3,-0.1 -0.942 92.6 -88.8-130.1 157.5 21.3 69.0 36.5 135 144 A P >> - 0 0 59 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.280 49.2 -97.7 -62.5 148.5 20.6 66.1 38.9 136 145 A F H 3> S+ 0 0 2 160,-0.7 4,-2.4 1,-0.3 5,-0.2 0.796 120.5 40.2 -29.9 -64.9 18.8 62.9 37.6 137 146 A W H 3> S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.807 114.4 52.6 -68.9 -30.4 15.3 63.8 38.8 138 147 A E H <> S+ 0 0 109 -3,-1.0 4,-1.2 2,-0.2 -1,-0.2 0.870 111.2 47.9 -68.6 -36.3 15.5 67.5 37.9 139 148 A D H X S+ 0 0 13 -4,-2.3 4,-1.0 2,-0.2 3,-0.3 0.926 110.6 50.6 -69.1 -46.9 16.6 66.6 34.4 140 149 A L H < S+ 0 0 5 -4,-2.4 7,-0.6 -5,-0.2 3,-0.4 0.876 108.5 53.2 -54.2 -43.1 13.8 64.0 33.9 141 150 A S H < S+ 0 0 24 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.4 45.3 -66.2 -32.6 11.3 66.6 35.1 142 151 A A H < S+ 0 0 68 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.2 0.630 114.0 54.2 -82.6 -15.5 12.5 69.1 32.5 143 152 A D X - 0 0 61 -4,-1.0 4,-2.0 -3,-0.4 3,-0.4 -0.912 61.1-169.1-132.7 103.9 12.6 66.5 29.7 144 153 A V H > S+ 0 0 95 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.729 88.1 59.0 -68.7 -26.2 9.4 64.4 29.0 145 154 A A H > S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -39,-0.3 0.898 109.1 44.1 -67.1 -42.3 11.2 62.0 26.7 146 155 A L H > S+ 0 0 7 -3,-0.4 4,-1.8 2,-0.2 -40,-0.4 0.899 113.9 50.5 -68.6 -42.0 13.6 61.0 29.6 147 156 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 -7,-0.6 -2,-0.2 0.929 111.3 46.0 -61.8 -48.6 10.8 60.8 32.2 148 157 A D H X S+ 0 0 76 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.780 112.4 50.4 -71.9 -27.4 8.5 58.5 30.1 149 158 A S H X S+ 0 0 33 -4,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.815 109.8 50.5 -80.0 -32.5 11.3 56.1 29.1 150 159 A F H >< S+ 0 0 26 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.920 114.8 44.5 -64.3 -43.8 12.4 55.7 32.7 151 160 A D H >< S+ 0 0 32 -4,-2.1 3,-1.1 1,-0.2 6,-0.3 0.824 103.6 63.5 -70.9 -33.7 8.8 55.0 33.7 152 161 A A H 3< S+ 0 0 53 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 105.5 47.1 -60.9 -27.9 8.2 52.6 30.8 153 162 A L T << S+ 0 0 23 -4,-0.7 2,-0.4 -3,-0.5 -1,-0.2 0.479 95.8 87.6 -95.0 -6.1 10.9 50.3 32.2 154 163 A X X - 0 0 53 -3,-1.1 3,-1.4 -4,-0.3 4,-0.2 -0.818 68.7-144.8-100.1 135.7 9.7 50.3 35.8 155 164 A S G > S+ 0 0 31 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.641 96.9 72.5 -73.4 -17.6 7.0 47.8 37.0 156 165 A C G 3 S+ 0 0 23 1,-0.2 -1,-0.3 4,-0.1 5,-0.2 0.622 88.3 67.0 -67.7 -13.1 5.5 50.4 39.3 157 166 A D G < S+ 0 0 58 -3,-1.4 -1,-0.2 -6,-0.3 -2,-0.2 0.666 78.2 104.3 -79.5 -20.7 4.3 52.0 36.1 158 167 A E S X S- 0 0 125 -3,-1.1 3,-1.6 -4,-0.2 4,-0.2 -0.240 88.6 -99.2 -69.7 159.2 1.9 49.1 35.3 159 168 A D T 3 S+ 0 0 157 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.645 114.5 24.3 -57.6 -27.7 -1.9 49.6 35.8 160 169 A L T > S+ 0 0 101 1,-0.1 3,-0.9 2,-0.1 4,-0.4 -0.133 76.7 125.4-133.1 38.2 -2.3 47.8 39.2 161 170 A A T < S+ 0 0 2 -3,-1.6 -2,-0.1 1,-0.2 3,-0.1 0.702 78.4 47.0 -70.5 -20.7 1.2 48.1 40.8 162 171 A Y T 3> S+ 0 0 16 -4,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.354 83.3 93.7-107.4 3.5 -0.1 49.7 44.0 163 172 A E H <> S+ 0 0 78 -3,-0.9 4,-1.6 2,-0.2 5,-0.2 0.932 85.9 47.0 -63.8 -50.0 -3.1 47.4 44.7 164 173 A A H > S+ 0 0 31 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.924 115.7 43.0 -62.0 -49.3 -1.3 45.1 47.1 165 174 A P H > S+ 0 0 2 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.729 112.9 54.1 -69.4 -22.6 0.4 47.8 49.3 166 175 A A H < S+ 0 0 1 -4,-1.4 3,-0.2 1,-0.2 -2,-0.2 0.761 109.3 48.4 -78.0 -28.2 -2.8 49.8 49.3 167 176 A D H < S+ 0 0 108 -4,-1.6 -1,-0.2 1,-0.2 -3,-0.1 0.766 99.4 70.1 -76.5 -27.3 -4.6 46.7 50.6 168 177 A A H < S+ 0 0 39 -4,-1.3 2,-0.2 -5,-0.2 -1,-0.2 0.804 98.8 50.3 -60.3 -33.4 -1.9 46.2 53.3 169 178 A Y S < S- 0 0 29 -4,-0.5 2,-0.7 -3,-0.2 0, 0.0 -0.619 82.2-116.1-113.3 164.1 -2.9 49.3 55.3 170 179 A D + 0 0 111 -2,-0.2 3,-0.4 1,-0.1 4,-0.1 -0.870 30.8 168.7-107.6 105.8 -6.1 50.7 56.8 171 180 A W + 0 0 9 -2,-0.7 3,-0.2 -5,-0.2 -1,-0.1 0.280 51.2 99.9 -99.0 8.3 -7.2 54.1 55.3 172 181 A S S S+ 0 0 97 1,-0.2 -1,-0.2 24,-0.0 25,-0.1 0.783 91.7 35.6 -67.1 -29.9 -10.7 54.2 56.8 173 182 A A S S+ 0 0 83 -3,-0.4 -1,-0.2 25,-0.0 2,-0.2 0.535 93.2 109.8 -98.7 -9.7 -9.7 56.6 59.6 174 183 A V - 0 0 17 -3,-0.2 3,-0.1 1,-0.1 23,-0.1 -0.478 40.3-179.5 -75.1 135.1 -7.2 58.6 57.6 175 184 A R + 0 0 160 1,-0.3 24,-2.7 -2,-0.2 2,-0.3 0.753 65.1 13.3-101.1 -33.9 -8.2 62.2 56.8 176 185 A H E -b 199 0B 33 22,-0.2 66,-1.1 2,-0.0 2,-0.5 -0.949 57.3-159.8-157.4 121.4 -5.3 63.6 54.8 177 186 A V E -bc 200 242B 0 22,-2.3 24,-2.0 -2,-0.3 2,-0.7 -0.922 7.3-155.6-108.1 130.1 -2.2 62.1 53.1 178 187 A L E -bc 201 243B 0 64,-2.4 66,-3.0 -2,-0.5 2,-1.0 -0.937 12.7-160.3 -97.8 112.7 0.8 64.2 52.2 179 188 A D E > -bc 202 244B 1 22,-3.1 24,-2.4 -2,-0.7 3,-1.1 -0.807 8.8-156.9-100.9 94.4 2.4 62.3 49.3 180 189 A V E 3 S-b 203 0B 0 64,-1.8 66,-0.3 -2,-1.0 24,-0.1 -0.632 77.0 -7.8 -84.2 115.1 6.0 63.6 49.3 181 190 A G T 3 S+ 0 0 0 22,-1.8 -1,-0.3 -2,-0.6 23,-0.2 0.903 85.1 173.8 63.9 45.2 7.6 63.2 45.9 182 191 A G X - 0 0 1 -3,-1.1 3,-1.9 21,-0.8 5,-0.2 0.313 21.9-150.9 -73.3 7.9 4.6 61.2 44.9 183 192 A G T 3 - 0 0 5 20,-0.3 29,-0.3 1,-0.3 -1,-0.2 -0.362 67.4 -20.3 63.4-129.3 5.6 60.9 41.3 184 193 A N T 3 S- 0 0 27 27,-0.1 -1,-0.3 -3,-0.1 31,-0.2 0.244 101.2 -97.0-101.6 11.6 2.5 60.6 39.0 185 194 A G S <> S+ 0 0 0 -3,-1.9 4,-2.6 30,-0.1 5,-0.3 0.364 72.4 140.2 107.5 -2.4 0.1 59.5 41.8 186 195 A G H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.848 78.3 40.5 -41.3 -60.6 -0.2 55.7 41.7 187 196 A X H > S+ 0 0 4 157,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.936 116.9 48.3 -57.1 -50.8 -0.3 55.1 45.5 188 197 A L H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.833 111.0 50.3 -64.8 -35.8 -2.5 58.1 46.3 189 198 A A H X S+ 0 0 8 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.885 110.8 50.1 -66.6 -39.8 -5.0 57.3 43.6 190 199 A A H X S+ 0 0 8 -4,-2.0 4,-1.0 -5,-0.3 -2,-0.2 0.799 115.1 44.8 -68.4 -28.8 -5.2 53.7 44.9 191 200 A I H >X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 3,-0.8 0.966 110.3 51.1 -75.5 -59.9 -5.7 55.1 48.5 192 201 A A H 3< S+ 0 0 0 -4,-3.1 6,-0.2 1,-0.3 -2,-0.2 0.823 110.4 52.1 -47.6 -35.7 -8.3 57.8 47.6 193 202 A L H 3< S+ 0 0 102 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.870 111.3 45.6 -71.9 -38.0 -10.3 55.0 45.8 194 203 A R H << S+ 0 0 80 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.712 121.7 40.4 -70.9 -23.5 -10.2 52.8 48.8 195 204 A A >< - 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