==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-DEC-12 4IG6 . COMPND 2 MOLECULE: TRNA (GUANINE-N(1)-)-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAPLASMA PHAGOCYTOPHILUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 224 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 1 1 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 A S 0 0 122 0, 0.0 2,-0.4 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 -4.7 -17.1 23.0 -0.1 2 1 A M + 0 0 9 29,-0.2 31,-2.4 2,-0.0 2,-0.5 -0.886 360.0 179.1-129.2 101.5 -16.4 22.2 -3.8 3 2 A I E -ab 33 107A 44 103,-2.8 105,-3.1 -2,-0.4 2,-0.5 -0.926 8.0-172.8-111.0 123.2 -15.6 25.4 -5.6 4 3 A F E -ab 34 108A 0 29,-2.7 31,-2.7 -2,-0.5 2,-0.6 -0.966 6.6-162.8-112.9 125.5 -14.8 25.5 -9.4 5 4 A N E -ab 35 109A 0 103,-2.9 105,-3.2 -2,-0.5 2,-0.5 -0.950 9.1-162.5-104.9 120.1 -13.6 28.7 -11.1 6 5 A V E -ab 36 110A 0 29,-3.0 31,-2.8 -2,-0.6 2,-0.6 -0.916 2.9-159.7-105.5 124.9 -13.9 28.5 -14.9 7 6 A L E +ab 37 111A 2 103,-2.7 105,-2.8 -2,-0.5 2,-0.3 -0.933 32.2 144.3-106.6 118.7 -11.9 31.0 -16.9 8 7 A T E -a 38 0A 0 29,-2.2 31,-2.1 -2,-0.6 32,-0.3 -0.991 57.6-136.3-153.7 150.6 -13.3 31.4 -20.4 9 8 A I S S+ 0 0 11 -2,-0.3 3,-0.1 103,-0.2 29,-0.1 0.438 105.6 58.6 -87.0 -2.2 -14.0 33.8 -23.3 10 9 A F > + 0 0 93 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.520 58.8 158.3-122.2 65.9 -17.4 32.2 -23.6 11 10 A P G > + 0 0 28 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.818 68.0 68.8 -58.0 -30.9 -19.0 32.8 -20.2 12 11 A Q G 3 S+ 0 0 184 1,-0.3 4,-0.2 -3,-0.1 -2,-0.0 0.588 85.3 70.0 -68.5 -11.6 -22.6 32.4 -21.6 13 12 A M G < S+ 0 0 72 -3,-1.8 -1,-0.3 2,-0.1 -3,-0.0 0.652 88.0 118.8 -67.5 -25.5 -21.9 28.7 -22.3 14 13 A F < + 0 0 15 -3,-1.8 2,-0.1 -4,-0.3 22,-0.0 -0.758 68.7 11.7-102.3 150.8 -22.0 28.1 -18.6 15 14 A P S > S+ 0 0 59 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.929 90.8 132.1 -65.6 -30.1 -23.5 26.5 -16.6 16 15 A G G > S+ 0 0 38 1,-0.3 3,-2.5 2,-0.2 -2,-0.1 -0.300 85.7 5.7 56.3-126.0 -25.0 24.8 -19.7 17 16 A P G > S+ 0 0 85 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.777 129.4 63.1 -58.6 -25.0 -24.9 21.0 -19.2 18 17 A L G < S+ 0 0 3 -3,-2.1 -2,-0.2 1,-0.2 9,-0.2 0.573 94.8 64.8 -74.9 -9.4 -23.7 21.6 -15.6 19 18 A G G < S+ 0 0 23 -3,-2.5 2,-0.3 -4,-0.1 -1,-0.2 0.336 89.5 80.5 -96.2 6.5 -27.0 23.3 -14.9 20 19 A V S X> S- 0 0 92 -3,-1.2 4,-1.5 -5,-0.1 3,-0.8 -0.777 88.2 -15.3-116.9 158.4 -29.4 20.4 -15.4 21 20 A S H 3> S- 0 0 91 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 -0.160 123.5 -10.3 59.9-143.0 -30.5 17.4 -13.4 22 21 A N H 3> S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.846 137.9 51.8 -59.0 -41.3 -28.5 16.5 -10.3 23 22 A L H <> S+ 0 0 15 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.935 112.3 46.9 -58.7 -47.5 -25.6 18.8 -11.0 24 23 A G H X S+ 0 0 3 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.908 113.9 44.9 -65.7 -43.8 -28.0 21.7 -11.5 25 24 A S H X S+ 0 0 50 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.903 112.4 52.5 -71.9 -34.7 -30.0 21.1 -8.3 26 25 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 4,-0.9 0.862 108.7 52.1 -64.0 -32.7 -26.8 20.5 -6.3 27 26 A L H ><5S+ 0 0 45 -4,-1.9 3,-0.6 2,-0.2 -2,-0.2 0.949 110.8 46.0 -66.7 -48.0 -25.6 23.9 -7.7 28 27 A K H 3<5S+ 0 0 179 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.927 112.6 51.4 -57.7 -45.0 -28.8 25.6 -6.5 29 28 A K H 3<5S- 0 0 134 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.698 114.8-120.4 -64.4 -20.6 -28.5 23.8 -3.1 30 29 A G T <<5S+ 0 0 42 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.688 71.8 134.5 85.7 20.5 -24.9 25.0 -2.8 31 30 A L S -a 8 0A 41 -2,-0.4 3,-1.2 -31,-0.2 4,-0.4 -0.798 9.1-159.0 -89.1 109.1 -14.9 36.2 -18.4 39 38 A I G > S+ 0 0 1 -31,-2.1 3,-1.8 -2,-0.8 -30,-0.2 0.842 87.7 62.9 -58.1 -35.1 -11.4 36.4 -19.7 40 39 A R G > S+ 0 0 107 -32,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.825 91.6 64.8 -60.9 -34.5 -12.3 39.3 -22.0 41 40 A A G < S+ 0 0 79 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.645 97.2 58.2 -66.0 -13.7 -13.3 41.6 -19.1 42 41 A F G < S+ 0 0 47 -3,-1.8 2,-0.8 -4,-0.4 -1,-0.3 0.338 74.6 116.5 -97.9 5.4 -9.6 41.5 -18.0 43 42 A A < - 0 0 16 -3,-2.0 7,-0.1 1,-0.2 24,-0.0 -0.649 45.0-170.1 -75.3 110.7 -8.3 42.9 -21.3 44 43 A N + 0 0 130 -2,-0.8 -1,-0.2 5,-0.1 -3,-0.0 0.791 52.4 100.1 -71.7 -29.5 -6.7 46.3 -20.5 45 44 A N S > S- 0 0 49 4,-0.2 3,-0.5 1,-0.1 -2,-0.0 -0.063 81.4-121.2 -59.1 158.2 -6.2 47.4 -24.1 46 45 A K T 3 S+ 0 0 117 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.692 114.2 62.1 -67.9 -23.8 -8.4 49.8 -26.0 47 46 A H T 3 S- 0 0 66 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.831 99.2-136.3 -67.1 -32.8 -8.9 46.9 -28.5 48 47 A N < + 0 0 67 -3,-0.5 2,-0.5 1,-0.2 -5,-0.1 0.744 49.9 163.2 68.5 30.8 -10.6 44.6 -25.8 49 48 A T + 0 0 50 1,-0.1 -4,-0.2 0, 0.0 -1,-0.2 -0.727 31.4 172.7 -98.2 125.1 -8.3 41.9 -27.4 50 49 A V + 0 0 12 -2,-0.5 14,-2.8 -3,-0.1 2,-0.3 0.617 67.2 46.2 -97.6 -20.4 -7.5 38.6 -25.7 51 50 A D E +E 63 0B 31 12,-0.3 2,-0.3 16,-0.1 12,-0.2 -0.893 57.3 175.6-131.6 158.3 -5.6 36.9 -28.5 52 51 A D E -E 62 0B 68 10,-2.0 10,-2.2 -2,-0.3 -2,-0.0 -0.934 40.6 -76.8-156.8 165.7 -2.9 37.8 -30.9 53 52 A T - 0 0 98 -2,-0.3 2,-0.2 8,-0.2 8,-0.2 -0.349 57.1-101.0 -74.6 149.4 -0.7 36.2 -33.7 54 53 A P > - 0 0 35 0, 0.0 3,-1.4 0, 0.0 2,-0.1 -0.492 28.6-112.9 -79.5 142.6 2.1 34.1 -32.5 55 54 A Y T 3 S+ 0 0 219 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 -0.464 103.3 33.9 -58.1 134.0 5.7 35.2 -32.4 56 55 A G T 3 S- 0 0 90 -2,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.327 116.7 -92.4 100.7 -5.3 7.7 33.2 -35.0 57 56 A G < + 0 0 53 -3,-1.4 0, 0.0 1,-0.2 0, 0.0 -0.251 67.8 125.7 91.3 179.2 5.0 32.9 -37.6 58 57 A G - 0 0 55 -2,-0.1 -1,-0.2 -5,-0.0 2,-0.0 -0.145 59.4 -69.4 101.5 157.1 2.5 30.2 -38.2 59 58 A P S S+ 0 0 111 0, 0.0 2,-0.0 0, 0.0 57,-0.0 -0.210 83.1 29.0 -83.7 165.3 -1.3 30.4 -38.5 60 59 A G S S- 0 0 38 -7,-0.1 2,-0.3 55,-0.0 55,-0.0 -0.253 78.1 -79.9 86.8-172.0 -4.0 31.1 -35.9 61 60 A M - 0 0 59 -8,-0.2 55,-2.6 -2,-0.0 2,-0.4 -0.776 28.5-146.1-129.3 168.4 -4.1 33.2 -32.8 62 61 A L E -E 52 0B 42 -10,-2.2 -10,-2.0 -2,-0.3 56,-0.2 -0.999 26.2-107.6-142.0 137.2 -3.0 32.7 -29.2 63 62 A L E -Ef 51 118B 1 54,-2.9 56,-1.8 51,-0.4 -12,-0.3 -0.443 44.9-117.0 -65.3 134.9 -4.4 33.9 -25.9 64 63 A R > - 0 0 76 -14,-2.8 4,-2.1 -2,-0.2 5,-0.2 -0.452 5.1-136.1 -81.7 146.4 -2.1 36.7 -24.4 65 64 A A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.796 101.1 56.2 -70.5 -32.2 -0.2 36.4 -21.1 66 65 A D H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.962 111.5 42.0 -68.4 -47.4 -1.1 39.9 -19.9 67 66 A V H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.936 117.4 47.0 -60.5 -48.2 -4.8 39.3 -20.2 68 67 A L H X S+ 0 0 2 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.927 110.5 54.2 -61.9 -42.4 -4.6 35.8 -18.7 69 68 A G H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.877 106.8 50.0 -60.0 -40.9 -2.4 37.1 -15.9 70 69 A R H X S+ 0 0 72 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.924 114.4 45.3 -64.9 -41.9 -4.8 39.8 -14.8 71 70 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.956 115.8 44.6 -66.4 -49.9 -7.7 37.3 -14.8 72 71 A I H X S+ 0 0 2 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.898 111.0 54.3 -65.5 -41.6 -5.7 34.6 -12.9 73 72 A D H X S+ 0 0 83 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.895 107.4 51.3 -57.9 -42.2 -4.3 37.1 -10.5 74 73 A E H X S+ 0 0 79 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.940 110.1 49.4 -57.5 -46.1 -7.9 38.2 -9.6 75 74 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.2 0.930 111.2 49.6 -60.6 -43.2 -8.7 34.5 -9.1 76 75 A L H < S+ 0 0 45 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.875 105.4 56.4 -62.9 -40.3 -5.7 34.2 -6.8 77 76 A S H < S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.5 36.7 -59.5 -32.2 -6.6 37.3 -4.8 78 77 A L H < S+ 0 0 92 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.764 134.9 20.7 -87.9 -31.6 -10.0 35.6 -4.1 79 78 A H >< + 0 0 39 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.2 -0.615 66.8 176.5-140.1 74.9 -8.8 32.0 -3.7 80 79 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.711 81.2 45.5 -64.1 -21.5 -5.1 32.0 -2.9 81 80 A N T 3 S+ 0 0 149 2,-0.1 26,-0.2 -5,-0.0 -5,-0.1 0.188 80.7 138.0-104.2 17.5 -4.9 28.2 -2.5 82 81 A T < - 0 0 13 -3,-2.2 2,-0.7 -7,-0.1 26,-0.2 -0.280 60.0-117.9 -60.2 144.9 -6.9 27.3 -5.6 83 82 A K E -c 108 0A 51 24,-2.6 26,-2.9 19,-0.1 2,-0.6 -0.805 30.2-141.2 -86.3 112.0 -5.5 24.4 -7.7 84 83 A L E +c 109 0A 19 -2,-0.7 45,-2.2 24,-0.2 2,-0.3 -0.673 26.7 175.3 -86.8 119.5 -4.7 25.9 -11.1 85 84 A M E -cd 110 129A 1 24,-2.9 26,-2.8 -2,-0.6 2,-0.4 -0.903 17.2-157.2-126.3 149.8 -5.5 23.7 -14.0 86 85 A F E -cd 111 130A 6 43,-2.7 45,-2.5 -2,-0.3 2,-0.4 -0.993 19.2-131.6-131.3 121.0 -5.3 24.2 -17.8 87 86 A T E + d 0 131A 0 24,-2.1 26,-0.4 -2,-0.4 45,-0.2 -0.598 47.2 150.3 -66.7 121.9 -7.3 22.2 -20.3 88 87 A S E > - 0 0 6 43,-2.5 3,-1.9 -2,-0.4 -2,-0.1 -0.947 56.1-134.2-158.3 136.2 -4.8 21.1 -23.0 89 88 A P E 3 S+ 0 0 36 0, 0.0 43,-0.2 0, 0.0 -1,-0.1 0.712 110.2 62.7 -59.0 -18.7 -4.3 18.2 -25.4 90 89 A R E 3 S+ 0 0 146 41,-0.1 40,-0.1 -3,-0.0 42,-0.1 0.412 90.8 94.3 -84.1 -2.6 -0.7 18.2 -24.1 91 90 A G E < S- 0 0 16 -3,-1.9 40,-0.3 1,-0.2 2,-0.1 -0.191 88.0 -71.5 -91.3 178.8 -1.8 17.4 -20.6 92 91 A V E - d 0 131A 71 38,-1.8 40,-2.8 1,-0.1 2,-0.5 -0.377 61.6 -96.2 -65.5 148.0 -2.1 14.3 -18.5 93 92 A S E - d 0 132A 61 38,-0.2 40,-0.2 -3,-0.1 5,-0.2 -0.561 37.3-124.7 -75.0 119.6 -5.0 12.1 -19.4 94 93 A F + 0 0 27 38,-3.3 2,-0.3 -2,-0.5 -1,-0.1 -0.356 41.4 161.6 -63.8 137.8 -8.1 12.7 -17.3 95 94 A T > - 0 0 69 1,-0.0 4,-2.8 -2,-0.0 5,-0.2 -0.932 57.8 -91.8-146.5 167.5 -9.5 9.6 -15.5 96 95 A Q H > S+ 0 0 73 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.862 127.3 53.5 -50.4 -37.3 -11.7 8.8 -12.6 97 96 A D H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 106.4 47.1 -66.0 -49.2 -8.5 8.7 -10.5 98 97 A I H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.921 110.3 57.7 -58.6 -40.1 -7.2 12.1 -11.6 99 98 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.932 107.4 45.7 -55.7 -46.3 -10.8 13.3 -10.8 100 99 A R H X S+ 0 0 77 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.917 112.6 49.4 -65.9 -41.8 -10.5 12.0 -7.2 101 100 A Q H >< S+ 0 0 93 -4,-2.5 3,-1.4 1,-0.2 4,-0.4 0.914 107.6 56.2 -59.0 -42.6 -7.1 13.5 -6.7 102 101 A T H >< S+ 0 0 4 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.882 101.4 58.1 -57.4 -39.2 -8.5 16.8 -8.1 103 102 A M H 3< S+ 0 0 43 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.620 84.1 78.0 -70.9 -14.7 -11.2 16.7 -5.4 104 103 A N T << S+ 0 0 145 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.3 0.695 90.1 65.9 -65.6 -18.8 -8.7 16.6 -2.5 105 104 A F S < S- 0 0 91 -3,-1.4 3,-0.1 -4,-0.4 -23,-0.1 -0.768 76.9-157.8 -87.8 147.5 -8.4 20.3 -3.3 106 105 A D S S+ 0 0 101 -2,-0.3 -103,-2.8 1,-0.2 2,-0.4 0.506 79.3 52.9-108.0 1.1 -11.6 22.0 -2.5 107 106 A N E +b 3 0A 15 -26,-0.2 -24,-2.6 -105,-0.2 2,-0.4 -0.960 70.0 177.6-136.0 112.5 -11.0 25.0 -4.7 108 107 A I E -bc 4 83A 0 -105,-3.1 -103,-2.9 -2,-0.4 2,-0.5 -0.950 15.0-157.3-123.1 136.6 -10.2 24.3 -8.4 109 108 A T E -bc 5 84A 2 -26,-2.9 -24,-2.9 -2,-0.4 2,-0.6 -0.956 5.7-164.5-116.4 124.8 -9.6 26.7 -11.2 110 109 A L E -bc 6 85A 1 -105,-3.2 -103,-2.7 -2,-0.5 2,-0.5 -0.928 5.2-157.1-112.4 109.4 -10.0 25.5 -14.9 111 110 A L E -bc 7 86A 2 -26,-2.8 -24,-2.1 -2,-0.6 2,-0.7 -0.746 12.3-146.4 -81.4 125.9 -8.5 27.7 -17.6 112 111 A C - 0 0 1 -105,-2.8 -103,-0.2 -2,-0.5 30,-0.1 -0.855 10.8-146.9 -98.1 114.9 -10.2 27.1 -21.0 113 112 A G + 0 0 0 -2,-0.7 28,-2.5 -26,-0.4 29,-0.4 -0.313 18.3 178.3 -69.6 156.6 -8.0 27.5 -24.0 114 113 A R > + 0 0 50 3,-0.3 3,-1.9 26,-0.2 -51,-0.4 -0.916 52.4 13.2-147.1 171.7 -9.2 28.8 -27.4 115 114 A F T 3 S- 0 0 83 24,-0.5 -53,-0.2 -2,-0.3 3,-0.1 -0.303 132.5 -24.9 57.2-134.9 -7.5 29.4 -30.7 116 115 A E T 3 S- 0 0 86 -55,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.512 108.4 -95.2 -89.8 -1.4 -4.1 27.8 -30.8 117 116 A G < - 0 0 5 -3,-1.9 -54,-2.9 -56,-0.2 2,-0.3 -0.946 53.5 -50.1 128.9-151.6 -3.7 27.9 -27.0 118 117 A I B -f 63 0B 11 -2,-0.3 -54,-0.2 -56,-0.2 2,-0.1 -0.863 59.9 -81.2-124.8 159.3 -2.1 30.2 -24.6 119 118 A D >> - 0 0 28 -56,-1.8 3,-1.6 -2,-0.3 4,-0.7 -0.401 40.6-131.2 -58.4 127.8 1.3 31.9 -24.2 120 119 A E H 3> S+ 0 0 78 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.761 100.9 71.1 -58.2 -29.2 3.6 29.4 -22.6 121 120 A R H 3> S+ 0 0 153 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.850 94.0 56.0 -57.7 -33.4 4.8 31.9 -20.0 122 121 A V H <> S+ 0 0 4 -3,-1.6 4,-1.9 1,-0.2 6,-0.3 0.913 106.6 49.5 -65.7 -41.8 1.4 31.6 -18.3 123 122 A V H <>S+ 0 0 11 -4,-0.7 5,-1.7 -3,-0.3 4,-0.3 0.915 118.3 39.0 -63.0 -44.3 1.8 27.8 -18.0 124 123 A D H ><5S+ 0 0 87 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.950 114.3 51.6 -74.2 -49.5 5.3 28.1 -16.4 125 124 A F H 3<5S+ 0 0 159 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.932 121.9 31.1 -55.1 -48.4 4.7 31.2 -14.3 126 125 A Y T 3<5S- 0 0 30 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.387 102.2-127.7 -93.1 6.9 1.6 29.8 -12.6 127 126 A K T < 5 - 0 0 162 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.931 35.3-162.3 45.2 52.3 2.7 26.1 -12.8 128 127 A L < - 0 0 16 -5,-1.7 2,-0.8 -6,-0.3 -43,-0.2 -0.377 16.4-127.8 -64.5 138.4 -0.6 25.2 -14.4 129 128 A Q E -d 85 0A 51 -45,-2.2 -43,-2.7 -3,-0.1 2,-0.3 -0.821 25.6-140.8 -86.2 114.4 -1.4 21.5 -14.3 130 129 A E E -d 86 0A 36 -2,-0.8 -38,-1.8 -45,-0.2 2,-0.4 -0.589 22.0-174.3 -77.5 135.4 -2.2 20.6 -17.9 131 130 A V E -d 92 0A 0 -45,-2.5 -43,-2.5 -40,-0.3 2,-0.4 -0.991 11.8-165.5-137.7 128.4 -5.1 18.1 -18.4 132 131 A S E -d 93 0A 1 -40,-2.8 -38,-3.3 -2,-0.4 3,-0.1 -0.854 13.6-154.8-104.2 140.7 -6.4 16.4 -21.6 133 132 A I S S- 0 0 27 -2,-0.4 2,-0.2 1,-0.4 -1,-0.1 0.506 74.5 -36.5 -91.0 -2.2 -9.8 14.7 -21.6 134 133 A G S S- 0 0 14 2,-0.2 2,-2.1 -42,-0.1 -1,-0.4 -0.856 74.2 -68.9 161.8 169.4 -8.6 12.4 -24.4 135 134 A D S S+ 0 0 151 -2,-0.2 2,-0.3 -3,-0.1 -42,-0.0 -0.432 94.7 91.9 -84.4 66.0 -6.5 12.1 -27.6 136 135 A Y S S- 0 0 116 -2,-2.1 2,-0.6 2,-0.0 -2,-0.2 -0.956 75.6-113.2-151.3 159.6 -8.7 14.2 -29.8 137 136 A V - 0 0 111 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.892 28.3-169.7-109.9 111.8 -8.7 18.0 -30.6 138 137 A L - 0 0 36 -2,-0.6 3,-0.1 1,-0.1 -2,-0.0 -0.490 31.7-121.1 -85.4 164.6 -11.5 20.2 -29.4 139 138 A S S S- 0 0 95 1,-0.2 -24,-0.5 -2,-0.2 2,-0.3 0.589 91.0 -0.9 -75.8 -18.6 -12.1 23.8 -30.5 140 139 A G - 0 0 3 -26,-0.1 4,-0.5 1,-0.0 3,-0.4 -0.982 68.8-108.6-165.8 164.1 -11.8 25.0 -26.9 141 140 A G S > S+ 0 0 0 -28,-2.5 4,-2.5 -2,-0.3 5,-0.2 0.520 93.2 90.2 -75.1 -9.4 -11.3 24.0 -23.3 142 141 A E H > S+ 0 0 0 -29,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.913 88.7 45.5 -62.5 -45.5 -14.9 24.7 -22.3 143 142 A L H > S+ 0 0 103 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.893 112.9 52.2 -63.0 -38.6 -16.1 21.2 -23.0 144 143 A A H > S+ 0 0 0 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.896 109.3 49.0 -62.8 -41.0 -13.1 19.7 -21.3 145 144 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.920 110.6 50.3 -65.3 -43.4 -13.8 21.8 -18.2 146 145 A M H X S+ 0 0 13 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.917 110.6 50.6 -60.2 -44.5 -17.4 20.7 -18.2 147 146 A V H X S+ 0 0 58 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 112.5 46.3 -57.9 -47.0 -16.3 17.1 -18.5 148 147 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.913 114.4 47.1 -64.3 -43.4 -13.9 17.5 -15.6 149 148 A I H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.913 112.3 49.1 -66.8 -42.0 -16.4 19.3 -13.4 150 149 A D H X S+ 0 0 67 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.958 111.2 49.9 -64.0 -49.2 -19.2 16.8 -14.1 151 150 A T H < S+ 0 0 30 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.913 117.2 40.7 -52.4 -48.8 -16.9 13.9 -13.3 152 151 A C H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.931 114.3 49.1 -68.8 -48.5 -15.8 15.5 -10.0 153 152 A V H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 -1,-0.2 0.827 98.0 69.6 -68.0 -28.7 -19.2 16.9 -8.8 154 153 A R T 3< S+ 0 0 104 -4,-2.2 6,-0.3 -5,-0.3 -1,-0.3 0.768 101.3 48.8 -57.9 -22.1 -20.8 13.5 -9.4 155 154 A M T < S+ 0 0 42 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.318 80.9 112.8-100.5 1.5 -18.7 12.2 -6.5 156 155 A V S X> S- 0 0 18 -3,-2.0 3,-2.2 -4,-0.1 4,-0.5 -0.663 82.7-105.4 -72.8 128.3 -19.6 15.1 -4.1 157 156 A P B 34 S+g 160 0C 115 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.361 105.7 25.1 -57.7 132.9 -21.7 13.5 -1.3 158 157 A G T 34 S+ 0 0 52 2,-0.5 3,-0.1 -4,-0.1 -127,-0.1 0.266 95.5 95.8 99.0 -8.6 -25.4 14.4 -1.8 159 158 A V T <4 S+ 0 0 3 -3,-2.2 2,-0.3 -6,-0.2 -133,-0.1 0.933 94.3 16.0 -83.8 -48.7 -25.2 15.1 -5.5 160 159 A I B < S-g 157 0C 26 -4,-0.5 -2,-0.5 -6,-0.3 -1,-0.2 -0.843 105.3 -71.1-115.8 166.1 -26.4 11.7 -6.6 161 160 A G > - 0 0 32 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.170 39.8-127.2 -52.4 137.5 -28.2 8.9 -4.7 162 161 A N H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 107.0 50.7 -52.6 -48.2 -26.0 7.1 -2.2 163 162 A A H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 111.8 47.2 -62.0 -47.1 -26.8 3.6 -3.5 164 163 A E H > S+ 0 0 121 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 113.0 50.4 -56.9 -44.7 -26.0 4.6 -7.1 165 164 A S H X S+ 0 0 33 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 111.3 46.5 -64.2 -49.0 -22.8 6.2 -6.0 166 165 A L H X S+ 0 0 99 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.896 112.8 50.5 -60.3 -43.4 -21.6 3.2 -3.9 167 166 A K H X S+ 0 0 68 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.938 109.1 51.3 -61.5 -45.0 -22.5 0.8 -6.8 168 167 A Q H >X S+ 0 0 86 -4,-2.8 3,-0.7 1,-0.2 4,-0.6 0.958 111.2 48.0 -56.4 -53.7 -20.5 3.0 -9.2 169 168 A E H >< S+ 0 0 113 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.906 111.5 49.8 -50.1 -49.9 -17.4 3.0 -6.9 170 169 A S H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.739 108.2 53.6 -66.6 -24.0 -17.6 -0.8 -6.4 171 170 A M H X< S+ 0 0 22 -4,-1.6 3,-2.0 -3,-0.7 -1,-0.2 0.488 78.7 124.7 -87.6 -6.4 -17.8 -1.4 -10.2 172 171 A E T << S+ 0 0 77 -3,-1.2 3,-0.1 -4,-0.6 -3,-0.0 -0.287 71.9 30.9 -58.6 139.6 -14.7 0.6 -10.9 173 172 A G T 3 S+ 0 0 47 1,-0.2 2,-0.3 42,-0.0 -1,-0.3 0.465 113.4 82.7 81.4 2.5 -12.2 -1.5 -12.9 174 173 A S S < S- 0 0 53 -3,-2.0 2,-0.2 41,-0.0 -1,-0.2 -0.994 79.3-116.6-135.4 148.7 -15.1 -3.4 -14.5 175 174 A L - 0 0 39 36,-0.5 40,-0.2 -2,-0.3 39,-0.1 -0.575 44.1 -94.8 -80.5 143.8 -17.4 -2.8 -17.4 176 175 A E - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.284 39.0-125.5 -58.8 132.8 -21.1 -2.4 -16.8 177 176 A Y - 0 0 18 1,-0.1 -1,-0.1 -3,-0.1 30,-0.1 -0.377 41.5 -78.0 -71.2 158.2 -23.2 -5.6 -17.1 178 177 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.343 53.3-159.4 -56.4 137.9 -26.2 -5.7 -19.5 179 178 A Q - 0 0 122 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.930 9.7-172.7-125.2 151.1 -29.2 -3.9 -17.9 180 179 A Y + 0 0 113 -2,-0.3 2,-0.3 12,-0.0 4,-0.1 -0.958 8.8 169.5-140.6 152.6 -32.9 -4.2 -18.6 181 180 A T - 0 0 99 -2,-0.3 -2,-0.0 2,-0.2 10,-0.0 -0.871 42.0 -10.3-146.6-177.6 -36.2 -2.6 -17.6 182 181 A R S S+ 0 0 202 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.245 89.9 65.0 -58.5 151.5 -39.8 -2.7 -18.8 183 182 A P - 0 0 79 0, 0.0 -2,-0.2 0, 0.0 3,-0.0 0.459 66.1-146.1 -81.6 155.6 -41.4 -3.8 -21.1 184 183 A A S S+ 0 0 69 1,-0.1 7,-0.9 -2,-0.1 2,-0.4 0.820 87.8 28.2 -47.3 -39.2 -40.9 -7.5 -20.7 185 184 A S E +H 190 0D 56 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.995 66.8 172.4-133.5 136.9 -40.8 -8.0 -24.4 186 185 A W E > S-H 189 0D 154 3,-2.3 3,-2.5 -2,-0.4 -4,-0.0 -0.963 74.3 -13.8-151.6 124.7 -39.8 -5.6 -27.1 187 186 A K T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.883 128.0 -57.8 46.5 41.9 -39.4 -6.2 -30.8 188 187 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.552 111.7 123.6 70.4 7.4 -39.6 -9.9 -29.9 189 188 A M E < -H 186 0D 125 -3,-2.5 -3,-2.3 0, 0.0 2,-0.2 -0.884 43.8-160.8-105.0 133.0 -36.6 -9.7 -27.6 190 189 A E E -H 185 0D 119 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.664 23.0-101.5-110.4 164.0 -37.0 -10.7 -23.9 191 190 A V - 0 0 23 -7,-0.9 5,-0.1 -2,-0.2 -1,-0.0 -0.620 52.1 -89.3 -83.0 139.4 -35.1 -10.1 -20.7 192 191 A P > - 0 0 35 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.272 39.4-128.2 -51.5 129.0 -32.8 -12.8 -19.5 193 192 A E G > S+ 0 0 159 1,-0.3 3,-2.5 2,-0.2 4,-0.4 0.795 100.7 67.4 -56.3 -37.5 -35.0 -15.0 -17.2 194 193 A V G > >S+ 0 0 33 1,-0.3 3,-1.4 2,-0.2 5,-0.5 0.873 95.1 59.2 -53.8 -33.8 -32.7 -15.0 -14.2 195 194 A L G < 5S+ 0 0 33 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.580 104.3 51.0 -74.0 -8.4 -33.4 -11.3 -13.8 196 195 A L G < 5S+ 0 0 118 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.338 91.6 77.2-106.8 1.6 -37.1 -12.0 -13.4 197 196 A T T < 5S- 0 0 76 -3,-1.4 -2,-0.1 -4,-0.4 -1,-0.1 0.577 92.0-129.2 -87.9 -14.5 -36.8 -14.7 -10.7 198 197 A G T 5 + 0 0 67 -4,-0.3 2,-1.4 1,-0.2 3,-0.1 0.570 60.4 143.9 74.9 8.6 -36.2 -12.4 -7.7 199 198 A N >< - 0 0 79 -5,-0.5 4,-2.9 1,-0.2 5,-0.2 -0.633 29.7-174.8 -90.2 91.3 -33.2 -14.6 -7.0 200 199 A H H > S+ 0 0 135 -2,-1.4 4,-2.6 1,-0.2 5,-0.3 0.884 80.8 52.9 -53.8 -47.2 -30.7 -12.1 -5.6 201 200 A G H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 114.9 39.7 -54.0 -48.9 -27.9 -14.7 -5.4 202 201 A E H > S+ 0 0 85 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.841 114.3 53.7 -74.5 -32.7 -28.3 -15.9 -9.0 203 202 A I H X S+ 0 0 20 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.960 110.8 46.3 -63.6 -49.9 -28.9 -12.4 -10.4 204 203 A E H X S+ 0 0 56 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.907 112.6 50.8 -61.2 -42.0 -25.7 -11.1 -8.7 205 204 A K H X S+ 0 0 88 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.938 111.2 48.5 -57.6 -46.2 -23.7 -14.2 -10.0 206 205 A W H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.916 112.6 48.0 -63.3 -42.7 -25.1 -13.5 -13.5 207 206 A R H X S+ 0 0 74 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.927 110.9 50.0 -63.6 -48.0 -24.1 -9.8 -13.4 208 207 A R H X S+ 0 0 144 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.941 113.6 45.6 -56.2 -50.1 -20.6 -10.5 -12.1 209 208 A N H X S+ 0 0 83 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.877 112.6 50.7 -67.4 -34.5 -19.9 -13.1 -14.8 210 209 A A H X S+ 0 0 18 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.959 113.1 45.7 -64.3 -48.1 -21.4 -10.8 -17.6 211 210 A S H X S+ 0 0 7 -4,-2.9 4,-2.8 1,-0.2 -36,-0.5 0.918 113.4 50.3 -59.1 -43.5 -19.2 -7.9 -16.4 212 211 A L H X S+ 0 0 119 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.904 112.9 45.6 -61.7 -44.5 -16.2 -10.2 -16.2 213 212 A S H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.896 115.1 46.2 -66.2 -43.4 -16.7 -11.5 -19.7 214 213 A I H X S+ 0 0 34 -4,-2.6 4,-1.8 2,-0.2 5,-0.4 0.903 112.3 51.2 -66.9 -43.9 -17.4 -8.1 -21.3 215 214 A T H X S+ 0 0 7 -4,-2.8 4,-2.9 -5,-0.2 3,-0.2 0.941 111.2 47.0 -59.2 -49.2 -14.4 -6.5 -19.5 216 215 A A H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.8 49.5 -62.3 -38.1 -12.0 -9.3 -20.7 217 216 A A H < S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.835 130.4 13.6 -69.9 -32.2 -13.3 -9.1 -24.2 218 217 A R H < S+ 0 0 180 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.2 0.720 134.9 28.8-119.9 -34.2 -13.0 -5.3 -24.6 219 218 A R >< + 0 0 106 -4,-2.9 3,-1.4 -5,-0.4 -2,-0.1 -0.453 58.9 152.9-131.0 58.8 -10.9 -3.8 -21.8 220 219 A P G > + 0 0 81 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.824 70.0 72.6 -57.6 -29.3 -8.5 -6.5 -20.9 221 220 A D G 3 S+ 0 0 99 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.1 0.857 80.4 70.3 -53.7 -37.3 -6.1 -3.7 -19.8 222 221 A L G < 0 0 61 -3,-1.4 -1,-0.3 -7,-0.2 -6,-0.1 0.170 360.0 360.0 -66.3 22.7 -8.4 -3.2 -16.8 223 222 A L < 0 0 192 -3,-1.2 -1,-0.2 -8,-0.1 -4,-0.1 0.057 360.0 360.0 53.9 360.0 -6.9 -6.6 -15.8 224 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 225 301 A X 0 0 92 0, 0.0 -108,-0.2 0, 0.0 -109,-0.1 0.000 360.0 360.0 360.0 360.0 -3.4 23.5 -30.9