==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-10 3ME5 . COMPND 2 MOLECULE: CYTOSINE-SPECIFIC METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR U.A.RAMAGOPAL,V.N.MALASHKEVICH,R.TORO,J.M.SAUDER,S.K.BURLEY, . 414 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 5.1 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 . 23 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 1 2 2 1 3 1 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 15 A N > 0 0 173 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -27.1 155.7 10.3 29.0 2 16 A A H > + 0 0 63 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.768 360.0 61.9 -69.5 -28.7 152.8 12.0 30.9 3 17 A A H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.850 104.6 47.0 -64.6 -39.1 150.5 11.7 27.9 4 18 A Q H > S+ 0 0 88 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.793 110.4 54.8 -70.1 -31.6 150.7 7.8 28.1 5 19 A A H X S+ 0 0 63 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.893 109.0 46.1 -68.7 -41.8 150.1 8.1 31.8 6 20 A X H X S+ 0 0 27 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.908 110.8 53.5 -65.8 -42.4 146.9 10.0 31.4 7 21 A L H X S+ 0 0 16 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.872 106.3 50.8 -64.6 -39.7 145.6 7.7 28.6 8 22 A E H X S+ 0 0 99 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.914 113.4 46.4 -65.0 -41.0 146.1 4.5 30.7 9 23 A K H < S+ 0 0 62 -4,-1.5 3,-0.5 1,-0.2 4,-0.4 0.882 112.8 50.5 -65.3 -38.2 144.1 6.2 33.6 10 24 A L H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-1.3 0.876 104.4 57.0 -67.1 -39.2 141.5 7.4 31.1 11 25 A L H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.658 97.5 62.1 -72.2 -15.2 141.0 3.9 29.6 12 26 A Q T 3< S+ 0 0 90 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.679 119.1 28.1 -70.8 -21.3 140.2 2.4 33.0 13 27 A I T <4 S+ 0 0 3 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.833 116.9 46.4-109.8 -50.1 137.2 4.8 33.0 14 28 A Y S < S- 0 0 10 -4,-2.9 -1,-0.2 1,-0.1 2,-0.1 -0.705 78.2-109.0-107.4 151.1 135.9 5.5 29.5 15 29 A D > - 0 0 76 361,-0.4 4,-2.1 -2,-0.3 3,-0.3 -0.445 30.8-119.9 -66.5 145.9 135.3 3.5 26.4 16 30 A V H > S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 115.8 58.8 -51.3 -45.3 137.8 4.0 23.6 17 31 A K H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 106.5 46.7 -52.8 -45.1 134.8 5.1 21.4 18 32 A X H > S+ 0 0 54 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.917 112.8 48.3 -64.3 -47.0 134.1 8.0 23.9 19 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 112.1 49.8 -61.6 -40.5 137.8 9.1 24.2 20 34 A V H X S+ 0 0 16 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.944 111.8 48.0 -61.9 -47.1 138.0 9.1 20.4 21 35 A A H X S+ 0 0 57 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.894 111.5 51.4 -57.3 -42.0 134.8 11.2 20.2 22 36 A Q H X S+ 0 0 58 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.879 110.4 47.9 -66.8 -38.0 136.2 13.5 22.8 23 37 A L H >< S+ 0 0 4 -4,-2.3 3,-0.7 1,-0.2 5,-0.4 0.886 111.4 49.7 -70.3 -39.0 139.4 13.9 20.9 24 38 A N H >< S+ 0 0 55 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.854 101.9 64.4 -64.7 -35.8 137.6 14.6 17.6 25 39 A G H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.717 87.6 68.0 -60.5 -24.3 135.4 17.2 19.5 26 40 A V T << S- 0 0 33 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.745 98.2-146.3 -69.1 -22.1 138.5 19.3 20.0 27 41 A G < + 0 0 63 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.616 68.5 102.2 73.1 16.2 138.4 19.7 16.2 28 42 A E S S+ 0 0 89 -5,-0.4 2,-0.3 1,-0.2 -4,-0.1 0.872 85.3 11.1 -94.7 -47.5 142.1 19.9 15.6 29 43 A N S S- 0 0 84 -6,-0.4 2,-0.5 -5,-0.0 -2,-0.2 -0.819 75.4-105.8-128.8 166.2 142.9 16.4 14.3 30 44 A H - 0 0 152 -2,-0.3 2,-0.3 -3,-0.1 -6,-0.0 -0.839 41.0-168.5 -93.2 129.3 141.0 13.3 13.0 31 45 A W + 0 0 21 -2,-0.5 2,-0.3 -11,-0.2 3,-0.1 -0.883 14.1 175.7-121.5 151.6 141.1 10.4 15.5 32 46 A S > - 0 0 40 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.920 45.6-103.6-140.7 165.3 140.2 6.7 15.5 33 47 A A H > S+ 0 0 50 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.914 122.5 50.3 -53.8 -47.1 140.4 3.8 18.0 34 48 A A H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 110.9 47.7 -62.5 -40.7 143.5 2.4 16.2 35 49 A I H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 110.8 52.5 -68.8 -36.7 145.2 5.8 16.2 36 50 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.918 108.8 49.3 -63.5 -43.8 144.4 6.2 19.9 37 51 A K H X S+ 0 0 93 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.872 108.1 55.2 -61.2 -38.6 146.0 2.8 20.5 38 52 A R H >< S+ 0 0 191 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.923 108.1 47.8 -58.1 -47.3 149.0 3.9 18.5 39 53 A A H 3< S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.4 58.1 -63.8 -33.0 149.4 7.0 20.8 40 54 A L H 3< 0 0 28 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.685 360.0 360.0 -69.5 -19.6 149.1 4.7 23.8 41 55 A A << 0 0 110 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.724 360.0 360.0-111.2 360.0 152.1 2.7 22.5 42 ! 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 43 63 A L 0 0 143 0, 0.0 2,-0.2 0, 0.0 -40,-0.0 0.000 360.0 360.0 360.0 -20.2 148.8 14.1 19.7 44 64 A S > + 0 0 42 3,-0.1 3,-0.8 4,-0.0 2,-0.6 -0.823 360.0 70.8-159.7-166.7 149.0 17.1 22.2 45 65 A E T 3> S+ 0 0 161 1,-0.2 4,-1.4 -2,-0.2 5,-0.1 -0.725 113.6 4.2 83.5-112.7 148.3 20.7 23.1 46 66 A K H 3> S+ 0 0 135 -2,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.729 128.3 63.6 -76.4 -24.3 144.6 21.5 23.7 47 67 A E H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.926 103.4 47.5 -63.8 -47.3 143.7 17.8 23.3 48 68 A F H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.930 112.9 49.5 -55.2 -50.7 145.8 17.0 26.3 49 69 A A H X S+ 0 0 44 -4,-1.4 4,-0.9 1,-0.2 -2,-0.2 0.900 110.3 49.9 -58.4 -45.4 144.1 19.9 28.3 50 70 A H H >< S+ 0 0 61 -4,-2.7 3,-1.1 1,-0.2 4,-0.2 0.927 108.2 52.4 -61.2 -43.8 140.7 18.7 27.3 51 71 A L H >< S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.806 100.7 63.9 -64.0 -29.1 141.4 15.1 28.4 52 72 A Q H >< S+ 0 0 105 -4,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.818 93.2 61.7 -59.3 -33.7 142.5 16.4 31.8 53 73 A T T << S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.545 94.1 64.5 -73.9 -6.3 139.0 17.7 32.4 54 74 A L T < S+ 0 0 17 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.488 94.6 70.2 -93.5 -6.0 137.8 14.1 32.2 55 75 A L S < S- 0 0 24 -3,-1.5 2,-0.1 -4,-0.2 51,-0.1 -0.882 87.7-109.5-111.0 144.4 139.7 13.1 35.3 56 76 A P - 0 0 19 0, 0.0 54,-0.2 0, 0.0 52,-0.1 -0.445 28.5-133.6 -71.8 143.1 139.0 14.1 38.9 57 77 A K - 0 0 184 -2,-0.1 52,-0.4 1,-0.1 3,-0.1 -0.605 27.1-102.5 -86.5 154.0 141.4 16.5 40.7 58 78 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 52,-0.0 -0.406 52.3 -85.1 -68.0 158.2 142.7 15.8 44.2 59 79 A P > - 0 0 34 0, 0.0 3,-1.6 0, 0.0 26,-0.0 -0.125 41.9-103.0 -62.6 167.0 141.1 17.8 47.0 60 80 A E T 3 S+ 0 0 203 1,-0.3 0, 0.0 -3,-0.1 0, 0.0 0.816 120.8 51.9 -64.4 -30.7 142.4 21.3 47.8 61 81 A H T > S+ 0 0 80 2,-0.1 3,-2.4 3,-0.0 -1,-0.3 0.515 91.2 164.5 -82.4 -5.6 144.3 20.1 50.9 62 82 A H T < + 0 0 59 -3,-1.6 3,-0.0 1,-0.3 0, 0.0 -0.194 56.4 25.8 -51.8 141.0 146.1 17.3 49.0 63 83 A P T 3 S+ 0 0 80 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 -0.832 114.6 71.8 -95.2 21.4 148.6 15.7 49.9 64 84 A H < - 0 0 145 -3,-2.4 2,-0.3 2,-0.0 -3,-0.0 -0.902 62.7-175.2-108.7 119.8 147.6 16.4 53.6 65 85 A Y - 0 0 51 -2,-0.6 23,-0.2 1,-0.1 3,-0.1 -0.776 31.1-138.3-119.6 153.8 144.6 14.6 55.1 66 86 A A S S- 0 0 44 21,-2.3 2,-0.3 -2,-0.3 22,-0.2 0.727 83.0 -17.3 -81.1 -25.3 142.8 14.7 58.4 67 87 A F E -a 88 0A 5 20,-0.9 22,-2.6 343,-0.0 2,-0.4 -0.969 65.7-104.9-168.6 172.2 142.3 11.0 58.7 68 88 A R E +a 89 0A 57 -2,-0.3 81,-2.0 20,-0.2 82,-1.8 -0.900 34.9 171.0-114.1 138.8 142.4 7.6 56.8 69 89 A F E -ab 90 150A 0 20,-2.8 22,-2.6 -2,-0.4 23,-0.6 -0.972 21.4-140.6-141.4 157.2 139.4 5.6 55.7 70 90 A I E -ab 92 151A 0 80,-1.6 82,-2.0 -2,-0.3 2,-0.5 -0.898 11.0-143.1-117.4 160.3 138.5 2.5 53.6 71 91 A D E -ab 93 152A 1 21,-2.5 23,-2.7 -2,-0.3 3,-0.5 -0.895 18.2-175.2-123.9 92.9 135.5 2.1 51.3 72 92 A L E S+ab 94 153A 2 80,-3.1 82,-1.5 -2,-0.5 23,-0.1 -0.740 77.3 5.8 -93.4 142.5 134.0 -1.5 51.2 73 93 A F S S+ 0 0 39 21,-0.8 -1,-0.2 -2,-0.3 22,-0.2 0.958 88.4 176.0 51.4 52.8 131.1 -2.4 48.8 74 94 A A > - 0 0 8 20,-2.4 3,-2.0 -3,-0.5 4,-0.5 0.658 7.3-176.7 -72.6 -21.4 131.8 1.1 47.6 75 95 A G T 3 S- 0 0 22 1,-0.2 -1,-0.2 19,-0.2 29,-0.2 -0.381 71.3 -25.2 57.1-128.1 129.4 1.4 44.7 76 96 A I T 3 S- 0 0 2 309,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.197 105.0 -83.7-103.1 17.0 129.9 4.7 43.0 77 97 A G S <> S+ 0 0 0 -3,-2.0 4,-2.2 3,-0.0 -2,-0.2 0.610 79.2 144.0 99.9 16.5 131.3 6.5 46.0 78 98 A G H > S+ 0 0 3 -4,-0.5 4,-0.6 1,-0.2 317,-0.1 0.889 81.1 35.6 -52.6 -46.9 128.0 7.5 47.9 79 99 A I H > S+ 0 0 11 -5,-0.4 4,-0.9 1,-0.2 3,-0.5 0.894 113.4 60.7 -77.7 -35.0 129.4 6.9 51.3 80 100 A R H >> S+ 0 0 5 -6,-0.3 4,-2.5 1,-0.2 3,-0.7 0.869 92.0 66.2 -56.4 -41.7 132.9 8.1 50.4 81 101 A R H 3X S+ 0 0 68 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.860 98.8 50.5 -52.6 -46.1 131.8 11.6 49.4 82 102 A G H 3< S+ 0 0 1 -4,-0.6 4,-0.5 -3,-0.5 -1,-0.3 0.848 114.5 43.4 -61.3 -38.0 130.8 12.7 52.9 83 103 A F H <<>S+ 0 0 0 -4,-0.9 5,-2.2 -3,-0.7 3,-0.5 0.799 110.0 53.6 -84.3 -29.4 134.1 11.6 54.4 84 104 A E H ><5S+ 0 0 32 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.859 102.9 62.9 -66.0 -32.1 136.3 13.0 51.7 85 105 A S T 3<5S+ 0 0 98 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.754 100.2 51.0 -64.4 -24.7 134.4 16.2 52.5 86 106 A I T 3 5S- 0 0 18 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.062 131.8 -89.0-103.2 28.6 135.8 16.2 56.0 87 107 A G T < 5S+ 0 0 9 -3,-1.8 -21,-2.3 1,-0.2 -20,-0.9 0.589 74.3 156.8 86.1 10.4 139.4 15.8 54.9 88 108 A G E < -a 67 0A 0 -5,-2.2 2,-0.5 -22,-0.2 -1,-0.2 -0.412 34.8-142.3 -70.4 146.9 139.5 12.0 54.8 89 109 A Q E -a 68 0A 38 -22,-2.6 -20,-2.8 -2,-0.1 2,-0.6 -0.945 11.3-141.9-108.3 120.8 142.0 10.0 52.7 90 110 A C E +a 69 0A 8 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.725 24.4 173.7 -81.8 126.5 140.6 6.8 51.1 91 111 A V E + 0 0 4 -22,-2.6 25,-0.5 -2,-0.6 2,-0.3 0.501 64.0 19.2-115.3 -1.5 143.4 4.3 51.2 92 112 A F E -ac 70 116A 3 -23,-0.6 -21,-2.5 23,-0.2 2,-0.4 -0.927 58.8-169.9-167.8 137.5 141.5 1.2 50.0 93 113 A T E -ac 71 117A 0 23,-2.4 25,-2.1 -2,-0.3 2,-0.5 -0.996 2.9-167.0-133.8 134.1 138.3 0.5 48.0 94 114 A S E +ac 72 118A 3 -23,-2.7 -20,-2.4 -2,-0.4 -21,-0.8 -0.994 22.8 149.7-120.9 124.4 136.5 -2.8 47.4 95 115 A E - 0 0 16 23,-2.3 25,-0.1 -2,-0.5 6,-0.1 -0.860 28.8-163.2-155.7 123.4 133.7 -2.9 44.7 96 116 A W + 0 0 161 -2,-0.3 2,-0.7 4,-0.0 23,-0.1 0.719 67.0 90.6 -80.8 -23.4 132.8 -5.9 42.6 97 117 A N > - 0 0 37 1,-0.2 4,-2.3 22,-0.1 3,-0.2 -0.674 61.1-159.0 -89.3 111.6 130.8 -4.1 39.9 98 118 A K H > S+ 0 0 132 -2,-0.7 4,-1.2 1,-0.3 -1,-0.2 0.798 92.0 48.7 -59.9 -36.7 133.2 -3.2 37.1 99 119 A H H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.863 109.5 52.5 -71.0 -36.3 130.9 -0.4 35.7 100 120 A A H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.911 105.9 55.5 -64.2 -39.7 130.4 1.1 39.2 101 121 A V H X S+ 0 0 22 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.872 104.5 54.0 -59.1 -38.0 134.2 1.1 39.5 102 122 A R H X S+ 0 0 39 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.941 111.1 43.4 -62.7 -46.6 134.4 3.2 36.3 103 123 A T H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.900 113.5 53.7 -65.8 -39.0 132.0 5.8 37.6 104 124 A Y H >X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 3,-1.2 0.951 110.0 46.3 -56.4 -53.4 133.8 5.7 40.9 105 125 A K H 3< S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.6 59.5 -63.1 -30.3 137.2 6.4 39.2 106 126 A A H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.738 118.1 29.4 -68.4 -22.2 135.6 9.2 37.1 107 127 A N H << S+ 0 0 22 -3,-1.2 2,-0.5 -4,-0.9 -2,-0.2 0.527 111.8 62.4-120.7 -7.0 134.7 11.1 40.3 108 128 A H S < S- 0 0 4 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.2 -0.982 76.6-126.3-128.5 123.1 137.2 10.3 43.0 109 129 A Y - 0 0 59 -2,-0.5 2,-0.5 -52,-0.4 -52,-0.1 -0.536 30.8-175.2 -66.6 126.5 140.9 11.0 42.8 110 130 A C - 0 0 11 -2,-0.3 -19,-0.1 -5,-0.2 3,-0.0 -0.977 11.7-161.2-131.6 112.6 142.8 7.7 43.5 111 131 A D >> - 0 0 41 -2,-0.5 3,-1.8 1,-0.1 4,-1.1 -0.874 11.6-149.9 -96.1 117.3 146.6 7.8 43.7 112 132 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.742 95.7 63.8 -62.7 -18.9 148.0 4.3 43.2 113 133 A A T 34 S+ 0 0 87 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 0.732 120.9 19.8 -69.9 -21.9 150.9 5.2 45.5 114 134 A T T <4 S+ 0 0 61 -3,-1.8 2,-0.3 1,-0.1 -1,-0.2 0.296 123.3 54.8-130.4 3.7 148.5 5.6 48.5 115 135 A H < - 0 0 8 -4,-1.1 2,-0.3 -5,-0.0 -23,-0.2 -0.989 54.0-166.6-148.6 148.5 145.4 3.6 47.4 116 136 A H E -c 92 0A 108 -25,-0.5 -23,-2.4 -2,-0.3 2,-0.4 -0.982 11.0-145.5-135.3 143.1 144.4 0.1 46.1 117 137 A F E -c 93 0A 73 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.891 12.8-172.8-106.8 145.6 141.2 -1.3 44.5 118 138 A N E -c 94 0A 21 -25,-2.1 -23,-2.3 -2,-0.4 3,-0.1 -0.964 9.9-169.1-127.2 147.3 139.9 -4.9 45.1 119 139 A E S S+ 0 0 70 -2,-0.3 2,-0.7 1,-0.3 -1,-0.1 0.848 78.6 37.2 -97.4 -55.0 137.0 -6.5 43.2 120 140 A D > - 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0 0 45 -44,-0.1 -79,-0.3 -43,-0.0 2,-0.1 -0.969 22.4-125.5-115.3 121.1 108.3 13.6 48.3 317 363 A L B -h 237 0B 9 -81,-2.0 -79,-3.5 -2,-0.5 -85,-0.0 -0.450 31.7-120.4 -65.3 136.0 108.6 10.6 45.9 318 364 A S - 0 0 61 -81,-0.2 -1,-0.1 -2,-0.1 -80,-0.0 -0.013 15.3-113.4 -71.3 177.4 107.7 7.4 47.6 319 365 A A 0 0 78 -82,-0.1 -1,-0.1 -80,-0.0 -2,-0.1 0.785 360.0 360.0 -79.1 -30.9 109.9 4.3 48.0 320 366 A R 0 0 268 0, 0.0 -2,-0.0 0, 0.0 -82,-0.0 0.194 360.0 360.0 -24.2 360.0 107.7 2.2 45.6 321 ! 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 0.0 322 370 A D 0 0 38 0, 0.0 32,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -88.8 113.5 7.3 37.4 323 371 A G + 0 0 6 30,-0.3 30,-0.1 56,-0.1 4,-0.1 -0.283 360.0 11.5 -82.5 45.1 114.8 7.0 33.8 324 372 A A S S+ 0 0 39 -2,-0.4 -1,-0.1 2,-0.4 -29,-0.0 -0.142 139.5 35.5-179.0 -62.3 112.0 4.4 33.6 325 373 A E S S+ 0 0 147 1,-0.1 2,-0.4 29,-0.0 -2,-0.1 0.912 106.6 63.7 -83.1 -46.1 109.8 4.6 36.7 326 374 A I S S- 0 0 15 -22,-0.1 28,-1.0 28,-0.1 -2,-0.4 -0.700 71.7-166.6 -85.4 127.0 109.7 8.4 37.5 327 375 A L E -jK 304 353C 12 -24,-2.4 -22,-2.8 -2,-0.4 2,-0.5 -0.895 15.8-145.9-121.6 147.2 108.1 10.4 34.7 328 376 A I E -jK 305 352C 6 24,-3.2 24,-2.4 -2,-0.4 -22,-0.2 -0.945 27.5-121.3-112.4 123.2 107.9 14.1 33.9 329 377 A D - 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0 0 77 -4,-2.7 3,-1.7 -5,-0.2 -1,-0.2 -0.753 61.8-170.6-159.8 88.2 91.7 7.7 21.6 341 389 A F T 3 S+ 0 0 37 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.784 88.6 51.4 -60.8 -30.7 95.2 6.8 23.1 342 390 A D T 3 S+ 0 0 95 -5,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.374 72.8 147.5 -91.1 1.1 96.9 7.1 19.7 343 391 A D <> - 0 0 35 -3,-1.7 4,-2.2 -7,-0.2 5,-0.1 -0.123 48.7-139.4 -37.3 121.4 95.5 10.5 19.0 344 392 A P T 4 S+ 0 0 96 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.845 98.1 51.3 -67.6 -27.2 98.3 12.0 16.9 345 393 A L T >4 S+ 0 0 130 1,-0.2 3,-1.3 2,-0.2 4,-0.1 0.946 112.3 42.1 -75.1 -50.6 97.9 15.4 18.7 346 394 A N G >4 S+ 0 0 9 1,-0.2 3,-2.2 2,-0.2 -1,-0.2 0.803 103.9 70.2 -59.1 -31.9 98.0 14.1 22.3 347 395 A Q G >< S+ 0 0 19 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.596 86.0 66.8 -65.9 -9.8 100.9 11.7 21.2 348 396 A Q G < S+ 0 0 134 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.484 97.7 57.6 -82.0 -4.7 103.1 14.8 20.9 349 397 A H G < + 0 0 82 -3,-2.2 -19,-0.6 -4,-0.1 -17,-0.3 -0.046 69.5 146.9-121.0 31.9 102.8 15.1 24.6 350 398 A R < - 0 0 42 -3,-0.7 -3,-0.0 -63,-0.1 -62,-0.0 -0.398 52.8-106.8 -59.5 142.7 104.1 11.8 25.9 351 399 A P - 0 0 0 0, 0.0 -64,-2.7 0, 0.0 2,-0.3 -0.235 31.8-132.6 -65.5 163.6 105.9 12.1 29.2 352 400 A R E -IK 286 328C 20 -24,-2.4 -24,-3.2 -66,-0.3 -66,-0.3 -0.807 10.7-118.7-117.2 161.4 109.7 11.8 29.6 353 401 A R E - K 0 327C 37 -68,-2.7 -30,-0.3 -2,-0.3 -26,-0.2 -0.584 37.2 -95.9 -86.9 153.8 112.0 9.9 31.9 354 402 A L - 0 0 6 -32,-2.1 -1,-0.1 -28,-1.0 -28,-0.1 -0.448 42.6-123.5 -58.2 143.3 114.6 11.4 34.2 355 403 A T > - 0 0 12 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.430 25.7-103.4 -83.9 162.8 118.0 11.6 32.7 356 404 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.896 123.7 52.0 -53.7 -38.6 121.1 10.0 34.4 357 405 A R H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.899 107.1 50.7 -69.1 -37.7 122.2 13.4 35.6 358 406 A E H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 109.5 52.3 -66.2 -35.6 118.8 14.2 37.1 359 407 A C H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.896 105.1 55.9 -62.6 -37.4 119.0 10.9 38.9 360 408 A A H X>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 6,-1.0 0.915 109.1 46.0 -57.9 -44.0 122.5 12.0 40.1 361 409 A R H <5S+ 0 0 6 -4,-2.0 3,-0.4 4,-0.2 -1,-0.2 0.875 108.3 57.0 -65.4 -37.1 120.9 15.1 41.6 362 410 A L H <5S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 113.1 40.3 -64.1 -34.4 118.1 13.0 43.1 363 411 A X H <5S- 0 0 7 -4,-1.8 29,-2.3 -5,-0.1 -1,-0.2 0.534 119.0-108.6 -90.2 -8.6 120.6 10.9 45.0 364 412 A G T <5S+ 0 0 20 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.585 88.0 114.4 92.0 10.4 122.9 13.9 45.9 365 413 A F S - 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