==== 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 14-JAN-09 3FUW . COMPND 2 MOLECULE: DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.DEMIRCI,R.BELARDINELLI,E.SERI,S.T.GREGORY,C.GUALERZI,A.E.D . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.6 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 3 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 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 6 A S > 0 0 69 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 136.7 44.3 -14.0 -9.1 2 7 A P H > + 0 0 58 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.809 360.0 55.9 -63.6 -27.0 44.1 -10.7 -11.1 3 8 A Q H > S+ 0 0 126 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.902 104.7 48.5 -69.2 -44.9 47.2 -12.1 -12.8 4 9 A S H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 113.6 47.5 -65.8 -39.2 45.6 -15.4 -13.9 5 10 A V H X S+ 0 0 14 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.951 114.2 46.4 -66.3 -49.3 42.6 -13.5 -15.3 6 11 A R H X S+ 0 0 125 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.945 115.4 47.3 -55.3 -49.4 44.8 -11.0 -17.1 7 12 A A H X S+ 0 0 56 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.862 110.1 52.4 -61.4 -38.3 46.9 -13.9 -18.4 8 13 A L H X S+ 0 0 35 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.922 111.0 46.8 -66.8 -44.0 43.9 -15.9 -19.5 9 14 A L H <>S+ 0 0 6 -4,-2.5 5,-2.9 2,-0.2 4,-0.3 0.934 113.5 49.4 -57.7 -47.2 42.6 -12.9 -21.5 10 15 A E H ><5S+ 0 0 129 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.909 107.9 53.2 -61.6 -43.3 46.0 -12.4 -23.0 11 16 A R H 3<5S+ 0 0 153 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 113.4 43.3 -61.4 -36.1 46.3 -16.0 -24.0 12 17 A H T 3<5S- 0 0 52 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.320 114.0-116.1 -92.7 7.9 43.0 -15.9 -25.8 13 18 A G T < 5 + 0 0 64 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.824 67.1 145.3 61.0 36.4 43.7 -12.5 -27.4 14 19 A L < - 0 0 29 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.722 33.4-169.7-104.0 153.2 40.8 -10.9 -25.6 15 20 A F - 0 0 125 -2,-0.3 2,-0.2 -5,-0.0 7,-0.1 -0.987 38.0-102.0-136.2 141.7 40.4 -7.5 -24.1 16 21 A A - 0 0 25 -2,-0.3 2,-0.6 1,-0.1 5,-0.1 -0.485 38.8-146.0 -66.1 127.9 37.6 -6.4 -21.9 17 22 A D > > - 0 0 35 -2,-0.2 3,-1.9 1,-0.1 5,-1.6 -0.885 11.8-155.9-106.3 117.9 35.1 -4.5 -24.0 18 23 A K G > 5S+ 0 0 177 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.748 92.3 70.1 -63.6 -25.6 33.2 -1.6 -22.4 19 24 A R G 3 5S+ 0 0 218 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.681 107.4 39.5 -64.0 -17.0 30.4 -2.0 -24.9 20 25 A F G < 5S- 0 0 50 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.234 112.1-119.6-110.0 9.5 29.6 -5.3 -23.1 21 26 A G T < 5 - 0 0 11 -3,-1.5 2,-0.7 1,-0.2 94,-0.3 0.892 45.3-173.1 53.2 40.6 30.3 -3.9 -19.6 22 27 A Q < + 0 0 16 -5,-1.6 2,-0.4 92,-0.1 -1,-0.2 -0.573 25.4 146.0 -77.7 109.8 33.0 -6.6 -19.2 23 28 A N - 0 0 42 -2,-0.7 2,-0.3 -3,-0.2 -1,-0.0 -0.917 35.4-150.5-140.0 106.4 34.5 -6.7 -15.7 24 29 A F E -A 180 0A 14 156,-2.6 156,-2.4 -2,-0.4 2,-0.1 -0.633 18.0-108.6 -94.1 137.9 35.4 -10.3 -14.9 25 30 A L E +A 179 0A 14 -2,-0.3 154,-0.2 154,-0.2 29,-0.1 -0.398 32.3 179.9 -64.1 134.0 35.4 -11.9 -11.4 26 31 A V + 0 0 15 152,-2.6 2,-0.5 -2,-0.1 153,-0.1 0.601 51.0 77.8-107.7 -19.9 38.9 -12.5 -10.0 27 32 A S > - 0 0 35 151,-0.5 4,-2.0 1,-0.1 3,-0.2 -0.874 53.9-157.5-110.4 125.6 38.4 -14.0 -6.5 28 33 A E H > S+ 0 0 146 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.801 99.5 60.3 -61.6 -32.0 37.5 -17.6 -5.7 29 34 A A H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 106.2 44.8 -63.8 -40.0 36.3 -16.3 -2.4 30 35 A H H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 111.2 53.5 -69.7 -39.3 33.8 -14.1 -4.1 31 36 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.924 109.0 50.2 -56.8 -44.5 32.7 -16.9 -6.4 32 37 A R H X S+ 0 0 155 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.905 107.9 52.9 -62.5 -41.4 32.1 -19.0 -3.3 33 38 A R H X S+ 0 0 123 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.895 109.6 48.7 -62.2 -39.9 30.0 -16.3 -1.7 34 39 A I H X S+ 0 0 3 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.939 113.0 46.5 -65.3 -47.5 27.8 -16.1 -4.8 35 40 A V H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.922 112.8 50.2 -61.5 -41.6 27.3 -19.9 -5.0 36 41 A E H < S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 108.5 52.1 -71.2 -28.4 26.5 -20.0 -1.2 37 42 A A H < S+ 0 0 7 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.787 115.3 42.6 -71.0 -29.0 24.0 -17.2 -1.5 38 43 A A H < S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.733 95.7 136.1 -89.7 -28.8 22.2 -19.1 -4.3 39 44 A R < + 0 0 145 -4,-2.0 2,-0.1 -5,-0.1 -3,-0.0 -0.210 32.3 62.9 -67.2 159.9 22.2 -22.6 -3.0 40 45 A P S S- 0 0 61 0, 0.0 2,-1.8 0, 0.0 3,-0.2 0.563 72.3-143.3 -76.6 152.0 20.5 -25.1 -2.7 41 46 A F + 0 0 44 21,-0.2 -2,-0.1 1,-0.2 24,-0.1 -0.573 39.8 154.5 -89.2 77.7 20.1 -25.6 -6.5 42 47 A T + 0 0 109 -2,-1.8 -1,-0.2 2,-0.1 65,-0.1 0.541 65.2 23.6 -84.5 -11.1 16.5 -26.8 -6.4 43 48 A G S S- 0 0 14 -3,-0.2 22,-0.3 22,-0.0 64,-0.1 -0.869 104.0 -62.2-144.0 174.9 15.7 -25.6 -9.9 44 49 A P - 0 0 23 0, 0.0 64,-2.7 0, 0.0 2,-0.4 -0.345 50.7-132.7 -65.2 145.0 17.5 -24.9 -13.2 45 50 A V E -bc 66 108B 0 20,-3.3 22,-2.4 62,-0.2 2,-0.5 -0.837 14.2-162.9-103.1 134.6 20.1 -22.1 -13.0 46 51 A F E -bc 67 109B 8 62,-2.9 64,-2.3 -2,-0.4 2,-0.5 -0.977 5.3-167.8-113.7 125.8 20.4 -19.3 -15.6 47 52 A E E -b 68 0B 3 20,-2.7 22,-2.9 -2,-0.5 2,-0.5 -0.976 5.3-158.7-113.0 124.1 23.6 -17.3 -15.7 48 53 A V E S+b 69 0B 3 -2,-0.5 64,-0.2 1,-0.2 22,-0.2 -0.911 76.7 12.8-102.4 123.2 23.6 -14.1 -17.7 49 54 A G + 0 0 19 20,-2.9 63,-0.3 -2,-0.5 -1,-0.2 0.960 63.3 178.9 80.1 56.5 27.1 -13.0 -18.7 50 55 A P > + 0 0 7 0, 0.0 3,-2.7 0, 0.0 2,-0.4 0.715 16.3 177.6 -62.9 -23.0 29.3 -16.0 -18.0 51 56 A G T 3 S- 0 0 5 1,-0.3 28,-0.1 2,-0.1 -2,-0.1 -0.369 71.5 -3.1 65.2-113.7 32.4 -14.1 -19.3 52 57 A L T 3 S- 0 0 13 -2,-0.4 -1,-0.3 -3,-0.2 30,-0.1 0.414 104.1-108.5 -94.2 -0.9 35.4 -16.4 -18.8 53 58 A G S <> S+ 0 0 0 -3,-2.7 4,-2.7 -4,-0.1 5,-0.2 0.529 77.0 132.5 92.5 7.2 33.3 -19.0 -17.1 54 59 A A H > S+ 0 0 35 -4,-0.4 4,-1.6 1,-0.2 5,-0.1 0.930 81.5 34.4 -58.6 -49.7 34.6 -18.6 -13.5 55 60 A L H > S+ 0 0 6 -5,-0.3 4,-2.9 2,-0.2 5,-0.2 0.867 114.8 59.5 -74.0 -35.3 31.1 -18.5 -11.8 56 61 A T H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.940 107.3 46.0 -55.3 -47.8 29.7 -21.0 -14.4 57 62 A R H X S+ 0 0 106 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.916 111.6 51.6 -62.0 -43.9 32.3 -23.6 -13.3 58 63 A A H X S+ 0 0 21 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.918 111.4 48.0 -60.5 -44.4 31.7 -23.0 -9.6 59 64 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-0.3 0.936 112.1 48.0 -62.6 -45.5 27.9 -23.5 -10.2 60 65 A L H ><5S+ 0 0 15 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.885 109.0 53.7 -62.8 -37.0 28.4 -26.7 -12.2 61 66 A E H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.781 103.3 56.8 -72.3 -24.5 30.8 -28.1 -9.6 62 67 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -3,-0.3 -21,-0.2 0.305 127.3-103.2 -83.2 5.3 28.1 -27.4 -6.9 63 68 A G T < 5 + 0 0 63 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.540 67.9 155.0 87.3 10.5 25.8 -29.6 -9.0 64 69 A A < - 0 0 6 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.2 -0.345 46.6-128.2 -69.5 148.0 23.7 -26.9 -10.7 65 70 A E - 0 0 141 -22,-0.3 -20,-3.3 -24,-0.1 2,-0.4 -0.904 42.1-161.0 -93.4 112.5 22.0 -27.4 -14.0 66 71 A V E -bd 45 88B 5 -2,-0.7 23,-2.4 21,-0.7 2,-0.5 -0.849 32.7-177.9-116.6 132.1 23.2 -24.4 -15.9 67 72 A T E -bd 46 89B 11 -22,-2.4 -20,-2.7 -2,-0.4 2,-0.5 -0.997 21.1-163.2-112.6 124.4 22.2 -22.4 -19.0 68 73 A A E -bd 47 90B 0 21,-2.5 23,-3.1 -2,-0.5 2,-0.6 -0.960 3.7-160.0-117.3 124.7 24.7 -19.6 -19.6 69 74 A I E +bd 48 91B 2 -22,-2.9 -20,-2.9 -2,-0.5 2,-0.4 -0.916 14.5 174.5-112.7 114.8 23.7 -16.7 -21.9 70 75 A E E - d 0 92B 16 21,-2.5 23,-0.7 -2,-0.6 24,-0.1 -0.975 21.8-165.2-127.5 126.8 26.6 -14.7 -23.3 71 76 A K S S+ 0 0 104 -2,-0.4 2,-1.0 21,-0.2 23,-0.1 0.798 72.0 81.6 -81.9 -30.2 26.3 -11.9 -25.9 72 77 A D > - 0 0 7 1,-0.2 3,-2.2 21,-0.1 4,-0.2 -0.667 58.1-168.2 -86.2 102.9 30.0 -11.6 -26.9 73 78 A L G > S+ 0 0 113 -2,-1.0 3,-1.8 1,-0.3 -1,-0.2 0.735 81.8 73.9 -57.7 -26.1 30.8 -14.4 -29.4 74 79 A R G 3 S+ 0 0 98 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.722 88.6 62.2 -60.4 -20.8 34.5 -13.7 -28.9 75 80 A L G <> S+ 0 0 2 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.534 75.3 94.4 -84.7 -2.8 34.2 -15.4 -25.5 76 81 A R H <> S+ 0 0 108 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.916 83.2 48.5 -57.8 -48.2 33.2 -18.8 -27.0 77 82 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.933 114.0 45.0 -60.8 -42.3 36.7 -20.3 -27.1 78 83 A V H > S+ 0 0 1 -4,-0.4 4,-3.3 2,-0.2 5,-0.2 0.910 114.5 49.9 -68.0 -37.5 37.6 -19.4 -23.5 79 84 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.933 110.6 48.8 -65.3 -45.8 34.2 -20.6 -22.3 80 85 A E H < S+ 0 0 101 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.867 115.0 46.6 -60.1 -36.3 34.6 -23.9 -24.1 81 86 A E H >< S+ 0 0 79 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.965 114.9 44.4 -68.8 -51.7 38.1 -24.3 -22.6 82 87 A T H 3< S+ 0 0 11 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.862 121.3 39.9 -61.2 -37.5 37.0 -23.3 -19.1 83 88 A L T >< S+ 0 0 7 -4,-2.5 3,-2.4 -5,-0.2 -1,-0.3 0.242 79.5 147.7-102.4 11.6 33.9 -25.5 -19.2 84 89 A S T < S+ 0 0 96 -3,-1.2 -3,-0.1 1,-0.3 -4,-0.0 -0.193 74.3 11.3 -50.2 129.6 35.4 -28.5 -21.0 85 90 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.338 104.2 113.3 83.8 -5.9 33.7 -31.8 -19.9 86 91 A L S < S- 0 0 57 -3,-2.4 2,-2.0 2,-0.1 -1,-0.2 -0.807 73.0-118.4-107.8 142.3 30.9 -30.0 -17.9 87 92 A P + 0 0 104 0, 0.0 -21,-0.7 0, 0.0 2,-0.5 -0.488 56.8 142.3 -81.1 74.5 27.2 -30.0 -18.8 88 93 A V E -d 66 0B 24 -2,-2.0 2,-0.9 -5,-0.2 -21,-0.2 -0.971 47.2-138.9-111.6 133.9 26.5 -26.3 -19.4 89 94 A R E -d 67 0B 130 -23,-2.4 -21,-2.5 -2,-0.5 2,-0.5 -0.824 23.1-157.1 -85.9 107.3 24.1 -25.1 -22.2 90 95 A L E -d 68 0B 42 -2,-0.9 2,-0.5 -23,-0.2 -21,-0.2 -0.771 9.9-172.0 -89.7 124.9 25.9 -22.2 -23.7 91 96 A V E -d 69 0B 24 -23,-3.1 -21,-2.5 -2,-0.5 2,-1.0 -0.983 13.3-154.3-121.0 119.9 23.7 -19.7 -25.5 92 97 A F E +d 70 0B 44 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.807 52.2 108.6 -98.2 96.0 25.2 -16.9 -27.5 93 98 A Q S S- 0 0 57 -2,-1.0 2,-0.6 -23,-0.7 -21,-0.1 -0.976 78.7 -86.2-159.9 155.4 22.5 -14.3 -27.5 94 99 A D > - 0 0 36 -2,-0.3 3,-2.2 1,-0.2 4,-0.4 -0.663 36.3-145.6 -67.3 118.0 21.6 -10.9 -26.1 95 100 A A G > S+ 0 0 5 -2,-0.6 3,-0.9 1,-0.3 5,-0.2 0.768 96.6 68.1 -63.0 -23.0 19.9 -11.8 -22.7 96 101 A L G 3 S+ 0 0 63 1,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.628 104.6 45.2 -68.4 -11.7 17.5 -8.9 -23.1 97 102 A L G < S+ 0 0 127 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.397 86.2 116.0-107.3 -4.3 16.0 -11.0 -26.0 98 103 A Y S < S- 0 0 15 -3,-0.9 2,-2.2 -4,-0.4 3,-0.2 -0.358 79.2-108.3 -68.2 147.2 15.9 -14.4 -24.3 99 104 A P > + 0 0 64 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.415 51.9 163.3 -80.6 73.1 12.4 -15.9 -23.7 100 105 A W G > + 0 0 0 -2,-2.2 3,-1.4 1,-0.3 30,-0.1 0.746 62.5 66.7 -63.6 -29.2 12.3 -15.4 -20.0 101 106 A E G 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.2 -3,-0.0 0.712 99.5 55.0 -69.7 -16.3 8.6 -15.8 -19.5 102 107 A E G < S+ 0 0 130 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.416 76.3 118.8 -96.9 -1.8 8.9 -19.5 -20.5 103 108 A V S < S- 0 0 6 -3,-1.4 3,-0.1 -4,-0.2 4,-0.1 -0.317 77.4 -85.9 -66.5 152.3 11.6 -20.6 -18.0 104 109 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.214 45.9-101.6 -58.6 142.3 10.6 -23.4 -15.6 105 110 A Q T 3 S+ 0 0 132 1,-0.2 26,-0.2 -3,-0.1 25,-0.1 -0.455 112.2 35.7 -58.3 129.8 8.8 -22.4 -12.3 106 111 A G T 3 S+ 0 0 21 24,-2.5 -1,-0.2 1,-0.2 25,-0.2 0.488 84.7 149.3 100.2 5.1 11.5 -22.6 -9.6 107 112 A S E < - e 0 131B 0 -3,-1.6 25,-2.8 23,-1.2 26,-1.0 -0.173 35.4-139.7 -64.7 163.3 14.4 -21.4 -11.8 108 113 A L E -ce 45 133B 1 -64,-2.7 -62,-2.9 23,-0.2 2,-0.5 -0.971 3.6-148.9-124.3 140.6 17.3 -19.4 -10.3 109 114 A L E +ce 46 134B 0 24,-1.9 26,-3.1 -2,-0.4 2,-0.4 -0.958 22.3 169.6-101.1 129.4 19.2 -16.5 -11.7 110 115 A V E + e 0 135B 0 -64,-2.3 2,-0.3 -2,-0.5 26,-0.2 -0.956 21.9 139.2-137.9 116.6 22.9 -16.5 -10.6 111 116 A A E - e 0 136B 0 24,-1.8 26,-1.9 -2,-0.4 2,-1.2 -0.981 61.4-131.3-163.5 142.9 25.0 -13.9 -12.4 112 117 A N E - e 0 137B 30 -2,-0.3 -89,-0.1 -63,-0.3 26,-0.1 -0.807 55.3-149.7 -87.2 87.8 27.8 -11.3 -12.5 113 118 A L - 0 0 10 -2,-1.2 2,-0.2 24,-0.8 -64,-0.1 -0.340 13.4-111.6 -72.5 142.2 25.4 -9.0 -14.5 114 119 A P >> - 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0 0 47 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.714 54.6-101.0 -96.5 146.5 -0.9 11.4 5.7 242 247 A P > - 0 0 67 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.283 30.9-115.5 -64.7 147.1 0.0 15.1 5.7 243 248 A P T 3 S+ 0 0 102 0, 0.0 -24,-0.3 0, 0.0 -7,-0.1 0.777 115.8 41.6 -52.6 -33.2 -1.2 17.3 2.8 244 249 A R T 3 S+ 0 0 177 -26,-0.1 -26,-0.1 -25,-0.1 -24,-0.0 0.068 82.1 147.5-106.9 20.4 2.3 17.9 1.5 245 250 A V < - 0 0 2 -3,-2.0 -27,-2.9 -28,-0.1 -26,-0.5 -0.212 41.6-130.6 -55.8 144.7 3.7 14.4 2.0 246 251 A R > - 0 0 80 -29,-0.2 3,-2.2 -28,-0.1 4,-0.3 -0.709 16.0-113.3-104.0 155.5 6.3 13.3 -0.5 247 252 A A G > S+ 0 0 5 -31,-0.3 3,-1.9 -37,-0.3 -36,-0.1 0.872 112.8 60.4 -50.9 -45.4 6.5 10.1 -2.6 248 253 A E G 3 S+ 0 0 45 1,-0.3 -97,-3.5 -38,-0.1 -1,-0.3 0.534 94.3 66.2 -65.4 -6.5 9.7 8.9 -0.8 249 254 A E G < S+ 0 0 76 -3,-2.2 2,-0.5 -99,-0.2 -1,-0.3 0.550 85.5 85.9 -89.6 -10.1 7.8 8.8 2.6 250 255 A L < - 0 0 2 -3,-1.9 -99,-0.1 -4,-0.3 2,-0.0 -0.823 64.9-151.3 -98.2 128.5 5.4 6.0 1.5 251 256 A D > - 0 0 74 -2,-0.5 4,-2.3 -101,-0.1 5,-0.2 -0.152 39.9 -87.0 -80.7-178.1 6.3 2.3 1.9 252 257 A L H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.915 128.4 48.7 -62.6 -44.2 4.9 -0.5 -0.4 253 258 A E H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.900 109.4 54.0 -60.7 -38.9 1.8 -1.0 1.7 254 259 A A H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.937 109.7 46.8 -64.3 -43.1 1.1 2.7 1.7 255 260 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.880 111.3 52.1 -63.4 -38.0 1.3 2.9 -2.1 256 261 A R H X S+ 0 0 74 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 113.3 44.3 -63.1 -42.3 -1.0 -0.2 -2.3 257 262 A R H X S+ 0 0 135 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.863 111.5 52.8 -69.7 -39.4 -3.5 1.5 -0.0 258 263 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.926 110.3 48.0 -61.0 -45.8 -3.3 4.8 -1.9 259 264 A R H X S+ 0 0 46 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.949 112.6 48.8 -57.1 -49.6 -3.9 3.0 -5.2 260 265 A E H < S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.843 111.5 50.2 -59.6 -36.1 -6.9 1.2 -3.5 261 266 A G H < S+ 0 0 32 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.867 107.3 53.1 -70.2 -40.6 -8.2 4.6 -2.2 262 267 A L H < 0 0 31 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.789 360.0 360.0 -64.6 -27.7 -7.9 6.2 -5.6 263 268 A E < 0 0 161 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.395 360.0 360.0-102.5 360.0 -10.0 3.4 -7.2