==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUN-12 4AZS . COMPND 2 MOLECULE: METHYLTRANSFERASE WBDD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.HAGELUEKEN,H.HUANG,J.H.NAISMITH . 442 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 2 2 2 0 1 1 0 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 4 A D > 0 0 158 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 148.3 0.1 -37.6 -40.8 2 5 A L H > + 0 0 16 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.908 360.0 62.8 -62.0 -40.5 3.0 -37.9 -38.4 3 6 A N H > S+ 0 0 98 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.867 106.5 43.5 -50.2 -46.9 4.9 -35.2 -40.2 4 7 A T H > S+ 0 0 83 -3,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.890 112.7 51.4 -68.8 -41.5 2.2 -32.7 -39.4 5 8 A L H X S+ 0 0 35 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.906 111.6 47.6 -65.5 -39.8 1.8 -33.8 -35.8 6 9 A V H >< S+ 0 0 2 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.910 110.1 52.8 -65.7 -42.2 5.6 -33.6 -35.2 7 10 A S H 3< S+ 0 0 98 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.857 105.8 55.1 -65.2 -31.8 5.7 -30.1 -36.8 8 11 A E H 3< S+ 0 0 98 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.620 80.6 110.6 -83.4 -3.9 3.0 -29.0 -34.5 9 12 A L S << S- 0 0 13 -3,-1.2 3,-0.2 -4,-0.5 -3,-0.0 -0.404 70.0-138.3 -57.8 132.0 4.9 -30.0 -31.3 10 13 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.899 90.0 7.0 -61.5 -32.7 5.9 -26.9 -29.5 11 14 A E - 0 0 105 -3,-0.0 2,-1.6 3,-0.0 3,-0.2 -0.970 63.5-137.2-148.8 135.7 9.2 -28.7 -29.0 12 15 A I + 0 0 32 -2,-0.3 15,-2.2 13,-0.2 16,-0.2 -0.685 40.2 163.3 -85.0 86.5 10.7 -31.9 -30.2 13 16 A Y + 0 0 16 -2,-1.6 15,-2.4 13,-0.2 2,-0.3 0.923 56.5 30.5 -75.7 -44.6 12.0 -32.7 -26.7 14 17 A Q B S-a 28 0A 0 -3,-0.2 15,-0.2 13,-0.2 13,-0.1 -0.727 94.5 -83.8-112.4 159.3 12.6 -36.4 -27.3 15 18 A T - 0 0 14 13,-0.8 2,-0.8 -2,-0.3 48,-0.2 -0.282 48.3-117.3 -44.9 136.3 13.6 -38.7 -30.1 16 19 A I > - 0 0 1 3,-0.4 3,-3.1 46,-0.1 6,-0.2 -0.831 37.4-112.7 -89.8 110.4 10.5 -39.7 -32.1 17 20 A F T 3 S+ 0 0 29 -2,-0.8 -1,-0.0 44,-0.4 47,-0.0 -0.200 95.9 2.0 -50.5 123.8 10.2 -43.5 -31.6 18 21 A G T 3 S+ 0 0 60 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.389 113.7 93.6 82.1 -2.2 10.9 -45.3 -34.9 19 22 A H X + 0 0 31 -3,-3.1 3,-1.8 1,-0.1 -3,-0.4 -0.634 41.2 170.8-128.1 74.7 11.5 -42.1 -36.8 20 23 A P G > + 0 0 84 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.615 63.9 86.6 -66.1 -9.3 15.2 -41.2 -36.8 21 24 A E G 3 S+ 0 0 106 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.701 95.2 44.6 -61.2 -19.5 14.7 -38.4 -39.4 22 25 A W G X> S+ 0 0 33 -3,-1.8 4,-1.2 -6,-0.2 3,-0.7 0.293 82.6 99.3-102.7 9.3 14.0 -36.1 -36.3 23 26 A D T <4 S+ 0 0 62 -3,-1.9 3,-0.2 1,-0.3 -2,-0.1 0.854 82.7 52.1 -68.0 -36.4 16.9 -37.4 -34.1 24 27 A G T 34 S+ 0 0 80 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.760 111.7 48.2 -64.8 -28.4 18.9 -34.4 -35.1 25 28 A D T <4 S+ 0 0 99 -3,-0.7 -2,-0.2 -4,-0.1 -13,-0.2 0.655 86.8 105.4 -84.3 -23.6 16.0 -32.1 -34.1 26 29 A A < - 0 0 10 -4,-1.2 -13,-0.2 -3,-0.2 -12,-0.1 -0.403 66.2-142.7 -65.0 135.6 15.4 -33.8 -30.7 27 30 A A S S+ 0 0 35 -15,-2.2 2,-0.4 1,-0.2 -13,-0.2 0.894 91.3 24.2 -62.0 -38.4 16.6 -31.7 -27.6 28 31 A R B -a 14 0A 8 -15,-2.4 -13,-0.8 -16,-0.2 -1,-0.2 -0.996 66.5-149.2-133.1 136.2 17.6 -35.0 -25.9 29 32 A D - 0 0 78 -2,-0.4 -14,-0.2 -15,-0.2 -1,-0.1 0.803 23.8-154.0 -75.4 -27.3 18.5 -38.2 -27.6 30 33 A C > + 0 0 6 1,-0.1 4,-2.6 -16,-0.1 5,-0.2 0.317 60.4 114.6 75.8 -7.3 17.2 -40.3 -24.6 31 34 A N H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.882 75.9 49.3 -67.3 -35.0 19.5 -43.3 -25.3 32 35 A Q H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.958 114.9 42.2 -70.5 -44.3 21.5 -42.8 -22.1 33 36 A R H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 113.9 53.6 -65.4 -42.2 18.4 -42.6 -19.8 34 37 A L H X S+ 0 0 26 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.930 104.0 55.6 -60.5 -44.0 16.8 -45.4 -21.7 35 38 A D H X S+ 0 0 104 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.940 114.5 40.4 -52.6 -46.3 19.8 -47.7 -21.2 36 39 A L H X S+ 0 0 26 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.922 114.7 50.2 -72.1 -40.9 19.5 -47.2 -17.5 37 40 A I H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.907 109.4 51.7 -67.4 -39.0 15.7 -47.3 -17.3 38 41 A T H X S+ 0 0 29 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.863 107.4 53.9 -64.7 -35.7 15.6 -50.6 -19.3 39 42 A E H X S+ 0 0 76 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.935 112.4 43.3 -61.3 -45.0 18.1 -52.2 -16.9 40 43 A Q H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.895 111.0 55.0 -71.2 -40.4 15.9 -51.2 -13.9 41 44 A Y H X S+ 0 0 5 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.954 110.4 47.0 -50.6 -51.3 12.8 -52.4 -15.7 42 45 A D H X S+ 0 0 62 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.912 110.5 52.1 -62.4 -44.4 14.5 -55.8 -16.3 43 46 A N H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.919 115.5 40.2 -56.5 -46.7 15.6 -56.1 -12.6 44 47 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 6,-0.2 0.890 114.6 51.7 -76.9 -34.9 12.1 -55.4 -11.3 45 48 A S H X>S+ 0 0 24 -4,-2.9 5,-1.3 -5,-0.3 4,-1.2 0.917 110.8 49.6 -65.8 -40.9 10.4 -57.5 -13.9 46 49 A R H <5S+ 0 0 166 -4,-3.1 3,-0.4 -5,-0.2 -2,-0.2 0.942 111.9 49.0 -57.7 -46.9 12.8 -60.4 -13.0 47 50 A A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.902 116.1 40.7 -65.0 -43.4 12.0 -59.9 -9.3 48 51 A L H <5S- 0 0 48 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.590 106.4-128.6 -81.5 -13.0 8.3 -59.8 -9.8 49 52 A G T <5S+ 0 0 68 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.706 74.0 65.7 79.2 20.4 8.4 -62.6 -12.4 50 53 A R S -bc 77 123B 1 20,-3.0 22,-2.9 -2,-0.5 3,-0.6 -0.914 8.6-157.8-117.4 104.1 5.1 -42.3 -17.6 57 60 A L E 3 S+b 78 0B 0 66,-2.5 68,-0.5 -2,-0.6 22,-0.2 -0.740 79.6 5.6 -91.3 120.2 4.4 -38.9 -16.1 58 61 A G T 3 S+ 0 0 0 20,-2.2 -1,-0.3 -2,-0.5 21,-0.3 0.943 80.5 178.9 67.3 57.1 5.0 -36.0 -18.5 59 62 A C X - 0 0 0 19,-2.1 3,-2.3 -3,-0.6 4,-0.3 0.512 5.4-174.4 -77.5 -10.0 5.6 -38.5 -21.2 60 63 A A T 3 S- 0 0 0 1,-0.3 28,-0.3 18,-0.2 -1,-0.2 -0.279 72.3 -2.5 57.2-116.3 6.2 -35.9 -23.9 61 64 A Q T 3 S- 0 0 1 26,-0.1 -44,-0.4 -46,-0.1 -1,-0.3 0.286 101.6-110.6 -96.8 11.7 6.6 -37.7 -27.3 62 65 A G S <> S+ 0 0 0 -3,-2.3 4,-3.2 -46,-0.1 5,-0.4 0.519 70.4 139.6 86.7 7.9 6.3 -41.1 -25.8 63 66 A F H > S+ 0 0 22 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.893 75.9 38.7 -59.2 -47.1 9.8 -42.3 -26.2 64 67 A F H > S+ 0 0 0 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.906 118.2 50.6 -67.6 -40.3 10.3 -44.1 -22.9 65 68 A S H > S+ 0 0 1 -6,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 114.7 41.3 -61.8 -53.9 6.8 -45.4 -22.9 66 69 A L H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.884 112.5 55.7 -61.5 -39.2 7.0 -46.8 -26.4 67 70 A S H X S+ 0 0 11 -4,-2.2 4,-0.6 -5,-0.4 -2,-0.2 0.883 112.5 42.2 -66.2 -37.0 10.5 -48.2 -25.8 68 71 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-0.7 0.864 110.7 54.9 -77.1 -33.4 9.3 -50.1 -22.7 69 72 A A H ><5S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.2 30,-0.3 0.851 100.8 62.4 -64.2 -31.0 6.1 -51.3 -24.4 70 73 A S H 3<5S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.806 101.3 50.5 -60.0 -34.6 8.4 -52.6 -27.1 71 74 A K T <<5S- 0 0 89 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.190 134.2 -87.5 -87.4 9.9 9.9 -54.9 -24.4 72 75 A G T < 5S+ 0 0 43 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.437 80.6 141.8 101.8 2.7 6.4 -56.2 -23.4 73 76 A A < - 0 0 1 -5,-2.1 26,-0.6 -22,-0.1 2,-0.6 -0.403 49.9-131.8 -71.4 152.7 5.5 -53.6 -20.8 74 77 A T E -bd 53 99B 67 -22,-2.2 -20,-3.0 24,-0.1 2,-0.4 -0.940 38.7-170.5-100.3 123.2 1.9 -52.3 -20.4 75 78 A I E -bd 54 100B 1 24,-2.8 26,-2.4 -2,-0.6 2,-0.4 -0.905 29.0-167.7-124.9 146.6 2.2 -48.5 -20.3 76 79 A V E -bd 55 101B 35 -22,-2.4 -20,-3.0 -2,-0.4 2,-0.4 -0.999 16.6-164.1-125.2 126.2 0.2 -45.5 -19.6 77 80 A G E -bd 56 102B 0 24,-2.7 26,-2.0 -2,-0.4 2,-0.4 -0.946 2.2-164.9-111.1 135.6 1.7 -42.1 -20.5 78 81 A I E +bd 57 103B 7 -22,-2.9 -20,-2.2 -2,-0.4 -19,-2.1 -0.965 15.9 157.8-120.9 135.0 0.4 -38.8 -19.2 79 82 A D E - d 0 104B 0 24,-1.6 26,-1.4 -2,-0.4 6,-0.1 -0.979 37.8-138.3-151.5 145.0 1.1 -35.3 -20.5 80 83 A F S S+ 0 0 74 -2,-0.3 2,-0.6 24,-0.2 26,-0.1 0.515 81.0 86.9 -84.8 1.9 -0.7 -32.0 -20.2 81 84 A Q >> - 0 0 58 1,-0.2 4,-2.0 24,-0.1 3,-0.6 -0.889 64.0-154.5-106.2 122.1 -0.1 -30.9 -23.8 82 85 A Q H 3> S+ 0 0 90 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.855 95.0 58.3 -55.4 -41.2 -2.5 -32.1 -26.5 83 86 A E H 3> S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.870 106.0 48.4 -62.9 -37.0 0.1 -31.9 -29.1 84 87 A N H <> S+ 0 0 3 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.945 111.9 47.8 -69.7 -47.2 2.4 -34.3 -27.3 85 88 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.889 106.2 59.1 -63.1 -35.7 -0.3 -36.8 -26.7 86 89 A N H X S+ 0 0 51 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.923 109.2 44.5 -59.6 -39.4 -1.4 -36.6 -30.4 87 90 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 -5,-0.2 -2,-0.2 0.937 110.6 53.2 -70.1 -45.5 2.1 -37.7 -31.4 88 91 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 -28,-0.3 -2,-0.2 0.923 111.5 46.8 -51.4 -46.9 2.3 -40.5 -28.8 89 92 A R H X S+ 0 0 84 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.893 110.5 51.0 -66.6 -41.0 -1.0 -42.0 -30.0 90 93 A A H X S+ 0 0 19 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.913 112.1 48.5 -63.2 -42.0 0.0 -41.8 -33.7 91 94 A L H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.5 0.920 108.9 52.5 -61.7 -45.0 3.3 -43.6 -32.8 92 95 A A H >< S+ 0 0 15 -4,-2.5 3,-1.4 1,-0.2 6,-0.3 0.880 104.8 57.2 -57.8 -37.6 1.4 -46.3 -30.8 93 96 A E H 3< S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.774 100.4 56.1 -67.7 -26.5 -0.8 -46.8 -33.9 94 97 A E T << S+ 0 0 95 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.600 114.4 42.4 -72.8 -12.1 2.3 -47.6 -35.9 95 98 A N S X S+ 0 0 40 -3,-1.4 3,-2.6 -4,-0.5 -1,-0.2 -0.542 72.4 170.0-131.6 64.7 3.0 -50.3 -33.3 96 99 A P T 3 S+ 0 0 106 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.673 72.6 59.6 -62.1 -22.8 -0.4 -51.9 -32.7 97 100 A D T 3 S+ 0 0 159 2,-0.1 2,-0.3 -4,-0.0 -4,-0.1 0.582 81.5 100.1 -79.6 -11.3 0.9 -54.8 -30.6 98 101 A F S < S- 0 0 43 -3,-2.6 2,-1.4 -6,-0.3 -28,-0.1 -0.589 76.0-134.9 -71.6 133.2 2.4 -52.4 -28.0 99 102 A A E +d 74 0B 49 -26,-0.6 -24,-2.8 -30,-0.3 2,-0.4 -0.724 54.3 143.4 -90.0 88.2 0.0 -52.2 -25.0 100 103 A A E -d 75 0B 13 -2,-1.4 2,-0.4 -26,-0.2 -24,-0.2 -0.992 27.4-179.1-136.2 123.0 0.3 -48.4 -24.7 101 104 A E E -d 76 0B 111 -26,-2.4 -24,-2.7 -2,-0.4 2,-0.4 -0.948 7.2-163.6-123.4 150.1 -2.3 -45.8 -23.8 102 105 A F E -d 77 0B 2 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.977 6.2-177.1-133.7 143.5 -1.9 -42.1 -23.6 103 106 A R E -d 78 0B 114 -26,-2.0 -24,-1.6 -2,-0.4 2,-0.4 -1.000 28.1-123.9-141.7 141.7 -4.0 -39.4 -21.9 104 107 A V E +d 79 0B 60 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.673 60.2 116.7 -77.2 129.2 -4.0 -35.7 -21.7 105 108 A G - 0 0 20 -26,-1.4 2,-0.4 -2,-0.4 -24,-0.1 -0.953 63.4 -87.3 178.0 170.8 -3.9 -34.7 -18.0 106 109 A R > - 0 0 74 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.778 27.6-135.4 -95.5 135.3 -2.1 -33.1 -15.2 107 110 A I H > S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.890 103.8 59.4 -53.4 -43.1 0.3 -35.1 -13.1 108 111 A E H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 110.7 40.9 -53.8 -46.3 -1.1 -33.7 -9.8 109 112 A E H > S+ 0 0 134 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.878 113.0 53.3 -74.4 -38.9 -4.6 -35.1 -10.6 110 113 A V H X S+ 0 0 31 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.948 108.4 50.1 -60.3 -46.2 -3.4 -38.4 -12.0 111 114 A I H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.921 108.7 52.5 -60.2 -41.7 -1.3 -39.0 -8.8 112 115 A A H 3< S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.0 47.3 -62.0 -32.9 -4.3 -38.3 -6.6 113 116 A A H 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.512 86.3 115.3 -87.3 -9.0 -6.3 -40.8 -8.6 114 117 A L << - 0 0 7 -3,-1.1 2,-0.4 -4,-0.8 -3,-0.0 -0.276 52.1-148.5 -62.4 149.6 -3.8 -43.6 -8.6 115 118 A E > - 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0 0 3 43,-2.3 -33,-0.1 -2,-0.5 18,-0.1 -0.913 14.8-133.6-117.3 127.9 15.3 -34.2 -11.1 159 162 A A - 0 0 2 -2,-0.5 2,-0.3 41,-0.2 41,-0.1 -0.342 29.7-143.1 -67.8 158.3 16.4 -30.7 -12.2 160 163 A V > - 0 0 11 38,-0.1 3,-2.0 11,-0.1 13,-0.1 -0.912 22.1-115.6-134.9 156.0 18.6 -28.8 -9.7 161 164 A K T 3 S+ 0 0 79 11,-0.5 7,-0.1 -2,-0.3 12,-0.1 0.698 107.3 70.2 -64.2 -20.4 19.1 -25.3 -8.5 162 165 A E T 3 S+ 0 0 102 2,-0.1 -1,-0.3 7,-0.0 36,-0.1 0.629 71.5 108.1 -74.0 -14.8 22.7 -25.2 -10.0 163 166 A E S < S- 0 0 5 -3,-2.0 5,-0.1 1,-0.1 33,-0.0 -0.381 80.9-124.6 -59.3 143.7 21.1 -25.0 -13.4 164 167 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.511 71.4 106.7 -82.2 1.4 21.6 -21.5 -14.6 165 168 A F S > S- 0 0 73 1,-0.1 3,-1.7 3,-0.0 4,-0.4 -0.331 80.5-108.7 -86.4 161.3 18.0 -20.5 -15.4 166 169 A Y G > S+ 0 0 178 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.838 115.9 59.2 -55.0 -35.2 15.6 -18.2 -13.5 167 170 A W G > S+ 0 0 33 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.706 86.5 77.5 -73.2 -14.5 13.4 -21.2 -12.3 168 171 A G G X S+ 0 0 3 -3,-1.7 3,-1.3 1,-0.3 -1,-0.3 0.802 81.1 69.6 -57.9 -27.7 16.4 -22.7 -10.6 169 172 A V G < S+ 0 0 130 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.741 96.3 51.4 -66.5 -22.9 15.8 -20.1 -7.8 170 173 A S G < S+ 0 0 49 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.472 89.7 103.4 -91.2 -5.8 12.6 -21.9 -6.8 171 174 A Q S < S- 0 0 14 -3,-1.3 -11,-0.1 -4,-0.3 -34,-0.0 -0.411 81.1 -98.8 -77.0 155.2 14.2 -25.3 -6.5 172 175 A P - 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0 0 87 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.163 48.2 -94.2 -63.4 154.4 36.5 -60.1 48.4 426 454 A S > - 0 0 16 1,-0.2 3,-1.6 -3,-0.1 4,-0.2 -0.572 27.0-155.2 -74.8 114.4 34.1 -57.4 49.4 427 455 A A G > S+ 0 0 13 -2,-0.6 3,-2.1 1,-0.3 -1,-0.2 0.858 91.3 62.5 -55.4 -36.9 35.1 -53.9 47.9 428 456 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.681 96.0 60.5 -69.3 -12.1 33.2 -52.0 50.6 429 457 A Q G < S+ 0 0 151 -3,-1.6 -1,-0.3 3,-0.0 2,-0.2 0.433 99.7 71.6 -89.0 -3.9 35.5 -53.5 53.3 430 458 A Q S < S- 0 0 78 -3,-2.1 3,-0.2 -4,-0.2 -3,-0.0 -0.695 93.5-112.9-109.2 164.6 38.5 -52.0 51.6 431 459 A R S S+ 0 0 244 -2,-0.2 2,-1.2 1,-0.2 -1,-0.1 0.880 76.3 131.4 -61.3 -35.7 39.7 -48.4 51.4 432 460 A G + 0 0 25 1,-0.2 2,-0.6 2,-0.1 -1,-0.2 -0.449 11.5 133.1 64.5 -97.0 38.9 -48.7 47.6 433 461 A A > + 0 0 48 -2,-1.2 4,-0.9 1,-0.2 3,-0.3 -0.615 43.4 67.1-107.8 12.3 37.3 -46.3 47.0 434 462 A T H > S+ 0 0 74 -2,-0.6 4,-2.6 1,-0.2 3,-0.4 0.868 85.6 68.4 -86.5 -39.5 38.4 -44.6 43.9 435 463 A E H > S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.883 104.0 52.2 -47.0 -39.0 37.6 -47.1 41.1 436 464 A Q H > S+ 0 0 34 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.922 111.4 43.8 -62.2 -46.0 34.0 -46.3 42.0 437 465 A W H X S+ 0 0 142 -4,-0.9 4,-1.8 -3,-0.4 -2,-0.2 0.808 110.3 54.6 -75.8 -27.6 34.4 -42.5 41.7 438 466 A I H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.876 113.0 41.2 -74.2 -38.9 36.4 -42.6 38.5 439 467 A I H X S+ 0 0 0 -4,-1.7 4,-3.7 -5,-0.3 5,-0.2 0.853 111.7 55.9 -76.4 -36.2 33.8 -44.6 36.6 440 468 A A H X S+ 0 0 12 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.892 113.3 42.1 -61.9 -39.1 30.9 -42.6 38.1 441 469 A Q H X S+ 0 0 129 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.873 116.5 48.5 -71.2 -40.3 32.7 -39.5 36.7 442 470 A E H < S+ 0 0 71 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.891 108.6 53.9 -57.6 -43.3 33.4 -41.4 33.5 443 471 A T H < S+ 0 0 49 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.733 113.0 43.1 -74.4 -25.0 29.7 -42.6 33.4 444 472 A V H < 0 0 128 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.866 360.0 360.0 -70.0 -46.6 28.7 -39.0 33.6 445 473 A L < 0 0 179 -4,-2.8 -3,-0.2 -6,-0.1 -2,-0.1 0.775 360.0 360.0 -83.3 360.0 31.5 -38.2 31.1 446 ! 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 0.0 447 1475 A X 0 0 33 0, 0.0 -387,-0.1 0, 0.0 -388,-0.1 0.000 360.0 360.0 360.0 360.0 10.1 -36.4 -20.6