==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUN-12 4AZV . COMPND 2 MOLECULE: 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) . 20521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 68.8 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 . 47 10.6 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 . 4 0.9 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 0 160 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 148.1 0.3 -37.7 -40.9 2 5 A L H > + 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.886 360.0 63.1 -62.1 -40.5 3.1 -38.0 -38.5 3 6 A N H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 106.9 43.4 -50.2 -46.8 5.1 -35.3 -40.3 4 7 A T H > S+ 0 0 84 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 112.8 51.3 -68.6 -41.6 2.4 -32.8 -39.5 5 8 A L H X S+ 0 0 34 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.885 111.3 47.8 -65.4 -40.0 2.0 -33.9 -35.9 6 9 A V H >< S+ 0 0 2 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.897 110.0 53.2 -65.8 -42.2 5.7 -33.7 -35.3 7 10 A S H 3< S+ 0 0 99 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.865 105.3 54.2 -65.0 -32.1 5.9 -30.2 -36.9 8 11 A E H 3< S+ 0 0 102 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.608 80.8 112.8 -83.6 -4.1 3.2 -29.0 -34.6 9 12 A L << - 0 0 12 -3,-1.1 3,-0.2 -4,-0.5 -3,-0.0 -0.420 69.5-139.2 -57.9 131.9 5.0 -30.1 -31.5 10 13 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.878 89.5 6.8 -61.5 -33.1 6.1 -26.9 -29.6 11 14 A E - 0 0 106 -3,-0.0 2,-1.4 -5,-0.0 3,-0.2 -0.983 64.1-137.1-149.1 135.8 9.3 -28.8 -29.0 12 15 A I + 0 0 32 -2,-0.3 15,-2.3 13,-0.2 16,-0.2 -0.766 39.9 163.5 -85.1 86.7 10.8 -32.0 -30.2 13 16 A Y + 0 0 20 -2,-1.4 15,-2.3 13,-0.2 2,-0.3 0.933 56.4 31.4 -75.6 -44.5 12.1 -32.9 -26.8 14 17 A Q B S-a 28 0A 0 -3,-0.2 15,-0.2 13,-0.2 13,-0.1 -0.701 94.3 -84.2-112.4 159.1 12.7 -36.5 -27.4 15 18 A T - 0 0 15 13,-0.7 2,-0.9 -2,-0.3 48,-0.2 -0.299 48.5-117.2 -44.9 136.6 13.7 -38.9 -30.2 16 19 A I > - 0 0 0 3,-0.4 3,-3.1 46,-0.1 6,-0.2 -0.818 37.3-112.8 -89.4 110.4 10.6 -39.8 -32.2 17 20 A F T 3 S+ 0 0 30 -2,-0.9 -1,-0.0 44,-0.4 47,-0.0 -0.130 95.5 1.5 -50.4 123.9 10.4 -43.6 -31.7 18 21 A G T 3 S+ 0 0 60 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.428 113.2 94.3 82.4 -2.1 11.0 -45.4 -34.9 19 22 A H X + 0 0 30 -3,-3.1 3,-1.8 1,-0.1 -3,-0.4 -0.643 41.1 170.4-128.2 74.7 11.7 -42.2 -36.8 20 23 A P G > + 0 0 87 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.604 64.7 86.1 -66.2 -9.5 15.4 -41.4 -36.9 21 24 A E G 3 S+ 0 0 107 1,-0.3 3,-0.1 2,-0.1 4,-0.1 0.731 95.6 43.8 -61.4 -19.7 14.8 -38.6 -39.4 22 25 A W G X> S+ 0 0 32 -3,-1.8 4,-1.5 -6,-0.2 3,-0.5 0.303 82.5 99.6-102.9 9.5 14.1 -36.3 -36.4 23 26 A D T <4 S+ 0 0 57 -3,-1.8 3,-0.2 1,-0.3 -2,-0.1 0.893 82.7 52.6 -67.9 -36.4 17.0 -37.5 -34.2 24 27 A G T 34 S+ 0 0 79 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.784 111.0 48.5 -64.6 -28.2 19.1 -34.5 -35.2 25 28 A D T <4 S+ 0 0 101 -3,-0.5 -13,-0.2 -4,-0.1 -2,-0.2 0.717 87.1 105.3 -84.2 -23.7 16.2 -32.3 -34.2 26 29 A A < - 0 0 11 -4,-1.5 -13,-0.2 -3,-0.2 -12,-0.2 -0.329 66.5-142.1 -65.0 135.6 15.5 -33.9 -30.8 27 30 A A S S+ 0 0 35 -15,-2.3 2,-0.4 1,-0.2 -13,-0.2 0.874 91.0 23.6 -62.1 -38.6 16.7 -31.9 -27.8 28 31 A R B -a 14 0A 8 -15,-2.3 -13,-0.7 -16,-0.2 -1,-0.2 -0.998 66.7-148.5-133.2 136.2 17.7 -35.1 -26.0 29 32 A D - 0 0 78 -2,-0.4 -14,-0.1 -15,-0.2 -1,-0.1 0.758 24.2-154.4 -75.4 -27.4 18.6 -38.4 -27.7 30 33 A C > + 0 0 6 1,-0.1 4,-2.7 -16,-0.1 5,-0.2 0.319 59.8 114.1 75.7 -7.4 17.3 -40.4 -24.7 31 34 A N H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.864 75.4 49.7 -67.3 -35.2 19.6 -43.4 -25.4 32 35 A Q H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.921 114.7 42.5 -70.6 -44.2 21.6 -43.0 -22.2 33 36 A R H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.914 114.2 53.2 -65.4 -42.2 18.5 -42.7 -19.9 34 37 A L H X S+ 0 0 26 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.903 103.8 55.5 -60.6 -43.9 16.9 -45.5 -21.8 35 38 A D H X S+ 0 0 100 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.933 114.4 40.7 -52.6 -46.1 19.9 -47.9 -21.3 36 39 A L H X S+ 0 0 25 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.896 114.5 50.8 -72.0 -41.0 19.6 -47.3 -17.6 37 40 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.883 109.0 51.0 -67.4 -39.2 15.8 -47.4 -17.4 38 41 A T H X S+ 0 0 28 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.868 107.3 54.4 -64.9 -35.7 15.6 -50.7 -19.3 39 42 A E H X S+ 0 0 74 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.910 112.0 43.8 -61.2 -44.9 18.2 -52.3 -16.9 40 43 A Q H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.874 110.9 54.8 -71.3 -40.1 16.0 -51.3 -14.0 41 44 A Y H X S+ 0 0 6 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.953 109.8 47.8 -50.5 -51.1 12.9 -52.5 -15.8 42 45 A D H X S+ 0 0 61 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.933 109.4 52.4 -62.2 -44.3 14.5 -55.9 -16.3 43 46 A N H X S+ 0 0 23 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.926 115.5 40.4 -56.3 -46.5 15.6 -56.2 -12.7 44 47 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.862 114.0 51.7 -76.8 -35.0 12.2 -55.5 -11.4 45 48 A S H X>S+ 0 0 24 -4,-2.8 5,-1.5 -5,-0.2 4,-1.3 0.903 111.4 49.4 -66.1 -41.0 10.4 -57.6 -14.0 46 49 A R H <5S+ 0 0 168 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.931 111.7 49.0 -57.7 -46.9 12.8 -60.5 -13.1 47 50 A A H <5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.5 40.2 -64.9 -43.5 12.0 -60.0 -9.4 48 51 A L H <5S- 0 0 50 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.615 106.7-128.1 -81.6 -13.1 8.2 -59.9 -9.8 49 52 A G T <5S+ 0 0 67 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.732 74.2 65.3 79.1 20.6 8.4 -62.7 -12.4 50 53 A R S -bc 77 123B 1 20,-2.6 22,-2.7 -2,-0.5 3,-0.6 -0.928 9.0-157.1-117.0 104.2 5.2 -42.4 -17.6 57 60 A L E 3 S+b 78 0B 0 66,-2.6 68,-0.4 -2,-0.6 22,-0.2 -0.758 79.2 4.7 -91.3 120.3 4.5 -39.0 -16.2 58 61 A G T 3 S+ 0 0 0 20,-2.4 -1,-0.3 -2,-0.6 21,-0.3 0.935 81.1 179.8 67.6 57.2 5.1 -36.1 -18.6 59 62 A C X - 0 0 0 19,-2.0 3,-2.4 -3,-0.6 4,-0.4 0.546 4.9-173.7 -77.3 -9.9 5.8 -38.6 -21.3 60 63 A A T 3 S- 0 0 0 1,-0.3 28,-0.3 18,-0.2 -1,-0.2 -0.303 72.1 -2.4 57.3-116.3 6.3 -36.0 -24.0 61 64 A Q T 3 S- 0 0 2 -2,-0.2 -44,-0.4 26,-0.1 -1,-0.3 0.250 101.4-110.6 -96.8 11.7 6.7 -37.8 -27.4 62 65 A G S <> S+ 0 0 0 -3,-2.4 4,-3.4 -46,-0.1 5,-0.4 0.523 70.5 139.1 86.5 7.8 6.4 -41.2 -25.9 63 66 A F H > S+ 0 0 21 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.912 76.2 38.4 -59.2 -47.5 10.0 -42.4 -26.3 64 67 A F H > S+ 0 0 0 -5,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.889 118.4 50.9 -67.9 -40.2 10.4 -44.2 -23.0 65 68 A S H > S+ 0 0 1 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.956 114.8 41.1 -61.8 -53.9 6.8 -45.5 -23.0 66 69 A L H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.880 112.7 55.3 -61.5 -39.3 7.1 -46.9 -26.5 67 70 A S H X S+ 0 0 12 -4,-2.4 4,-0.7 -5,-0.4 -1,-0.2 0.903 113.2 41.5 -66.2 -37.2 10.6 -48.3 -25.9 68 71 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.4 0.820 110.8 55.2 -77.2 -33.2 9.3 -50.2 -22.8 69 72 A A H ><5S+ 0 0 5 -4,-2.4 3,-1.8 1,-0.2 30,-0.3 0.851 101.3 61.8 -64.2 -31.2 6.1 -51.3 -24.5 70 73 A S H 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 101.4 51.7 -60.1 -34.4 8.4 -52.7 -27.1 71 74 A K T 3<5S- 0 0 87 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.250 134.0 -89.2 -87.3 10.0 9.9 -55.0 -24.5 72 75 A G T < 5S+ 0 0 43 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.480 79.7 142.4 101.7 2.7 6.5 -56.2 -23.4 73 76 A A < - 0 0 1 -5,-2.2 26,-0.6 -8,-0.1 2,-0.6 -0.390 50.0-131.4 -71.5 152.7 5.5 -53.6 -20.8 74 77 A T E -bd 53 99B 66 -22,-2.2 -20,-2.9 24,-0.1 2,-0.3 -0.954 39.2-171.3-100.2 123.2 2.0 -52.4 -20.5 75 78 A I E -bd 54 100B 1 24,-2.8 26,-2.4 -2,-0.6 2,-0.4 -0.860 28.4-166.8-125.0 146.8 2.3 -48.6 -20.4 76 79 A V E -bd 55 101B 35 -22,-2.3 -20,-2.6 -2,-0.3 2,-0.4 -0.986 16.4-162.9-125.2 126.1 0.2 -45.5 -19.7 77 80 A G E -bd 56 102B 0 24,-2.7 26,-2.3 -2,-0.4 2,-0.4 -0.905 2.7-165.6-111.0 135.7 1.7 -42.1 -20.6 78 81 A I E +bd 57 103B 7 -22,-2.7 -20,-2.4 -2,-0.4 -19,-2.0 -0.957 15.9 157.1-120.8 134.7 0.5 -38.8 -19.3 79 82 A D E - d 0 104B 0 24,-1.6 26,-1.4 -2,-0.4 6,-0.1 -0.984 38.0-138.5-151.6 145.0 1.3 -35.3 -20.6 80 83 A F S S+ 0 0 78 -2,-0.3 2,-0.6 24,-0.2 24,-0.1 0.404 81.2 86.4 -85.0 2.1 -0.6 -32.0 -20.3 81 84 A Q >> - 0 0 60 1,-0.1 4,-1.9 24,-0.1 3,-0.6 -0.921 64.4-154.1-106.0 122.1 0.1 -31.0 -23.9 82 85 A Q H 3> S+ 0 0 89 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.845 94.5 58.3 -55.3 -40.8 -2.3 -32.2 -26.6 83 86 A E H 3> S+ 0 0 69 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.864 106.1 48.9 -62.5 -36.9 0.3 -32.0 -29.3 84 87 A N H <> S+ 0 0 4 -3,-0.6 4,-2.3 2,-0.2 3,-0.3 0.940 111.9 47.5 -69.7 -47.1 2.6 -34.4 -27.4 85 88 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.868 106.2 58.8 -62.9 -35.6 -0.2 -36.9 -26.9 86 89 A N H X S+ 0 0 52 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.898 108.9 45.3 -59.4 -39.4 -1.2 -36.7 -30.5 87 90 A V H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 5,-0.2 0.930 110.1 53.6 -70.2 -45.8 2.2 -37.8 -31.5 88 91 A C H X S+ 0 0 0 -4,-2.3 4,-2.6 -28,-0.3 -2,-0.2 0.924 110.9 46.8 -51.7 -47.1 2.4 -40.6 -28.9 89 92 A R H X S+ 0 0 85 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.900 110.5 51.5 -66.7 -40.7 -0.9 -42.0 -30.2 90 93 A A H X S+ 0 0 19 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.902 111.9 47.9 -62.9 -41.9 0.2 -41.8 -33.8 91 94 A L H >< S+ 0 0 0 -4,-2.7 3,-0.5 2,-0.2 4,-0.4 0.900 108.9 53.4 -61.8 -44.9 3.4 -43.6 -32.9 92 95 A A H >< S+ 0 0 16 -4,-2.6 3,-1.5 1,-0.2 6,-0.3 0.887 104.7 56.3 -58.0 -37.9 1.5 -46.3 -30.9 93 96 A E H 3< S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 100.5 56.9 -67.9 -26.3 -0.7 -46.9 -34.0 94 97 A E T << S+ 0 0 94 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.588 114.2 42.2 -72.7 -12.1 2.4 -47.6 -36.0 95 98 A N S X S+ 0 0 39 -3,-1.5 3,-2.3 -4,-0.4 -1,-0.3 -0.536 72.2 169.8-131.8 64.7 3.1 -50.3 -33.4 96 99 A P T 3 S+ 0 0 106 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.671 72.3 59.6 -62.1 -22.8 -0.3 -51.9 -32.8 97 100 A D T 3 S+ 0 0 159 2,-0.1 2,-0.3 -4,-0.0 -4,-0.1 0.580 82.1 101.0 -79.7 -11.3 0.9 -54.9 -30.7 98 101 A F S < S- 0 0 42 -3,-2.3 2,-1.4 -6,-0.3 -28,-0.1 -0.583 75.5-135.2 -71.6 133.1 2.4 -52.5 -28.1 99 102 A A E +d 74 0B 47 -26,-0.6 -24,-2.8 -30,-0.3 2,-0.4 -0.676 54.3 141.7 -90.2 87.9 0.2 -52.2 -25.1 100 103 A A E -d 75 0B 13 -2,-1.4 2,-0.4 -26,-0.2 -24,-0.2 -0.987 28.0-179.4-136.5 123.1 0.4 -48.5 -24.8 101 104 A E E -d 76 0B 110 -26,-2.4 -24,-2.7 -2,-0.4 2,-0.4 -0.949 7.7-163.6-123.3 150.0 -2.2 -45.9 -23.9 102 105 A F E -d 77 0B 2 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.985 6.1-176.6-133.6 143.6 -1.8 -42.1 -23.7 103 106 A R E -d 78 0B 111 -26,-2.3 -24,-1.6 -2,-0.4 2,-0.4 -0.996 27.9-123.4-141.4 141.4 -3.9 -39.5 -22.1 104 107 A V E +d 79 0B 63 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.703 60.7 116.0 -77.3 129.3 -3.8 -35.7 -21.8 105 108 A G - 0 0 19 -26,-1.4 2,-0.4 -2,-0.4 -47,-0.1 -0.961 63.7 -86.8 178.0 170.8 -3.8 -34.7 -18.2 106 109 A R > - 0 0 75 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.778 27.0-137.1 -95.5 135.3 -2.0 -33.1 -15.3 107 110 A I H > S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.883 103.5 59.7 -53.2 -43.3 0.4 -35.2 -13.2 108 111 A E H > S+ 0 0 19 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 111.0 40.4 -53.9 -46.3 -1.0 -33.7 -9.9 109 112 A E H > S+ 0 0 134 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.860 113.8 52.4 -74.3 -38.8 -4.5 -35.0 -10.7 110 113 A V H X S+ 0 0 31 -4,-2.4 4,-0.8 2,-0.2 3,-0.3 0.944 108.8 50.7 -60.2 -46.3 -3.3 -38.4 -12.1 111 114 A I H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.887 108.3 52.4 -60.1 -41.6 -1.2 -39.1 -8.9 112 115 A A H 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.884 111.5 47.5 -62.0 -33.0 -4.2 -38.3 -6.8 113 116 A A H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.521 86.2 115.7 -87.2 -9.1 -6.3 -40.8 -8.8 114 117 A L << - 0 0 8 -3,-0.8 2,-0.4 -4,-0.8 -3,-0.0 -0.269 52.3-148.5 -62.5 149.5 -3.7 -43.7 -8.7 115 118 A E > - 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0 0 3 43,-2.3 -33,-0.1 -2,-0.5 18,-0.1 -0.934 14.5-133.5-117.2 128.1 15.4 -34.3 -11.2 159 162 A A - 0 0 2 -2,-0.5 2,-0.3 41,-0.2 41,-0.1 -0.308 29.7-143.1 -67.5 158.4 16.5 -30.8 -12.3 160 163 A V > - 0 0 11 38,-0.1 3,-1.7 11,-0.1 13,-0.1 -0.907 21.7-115.7-134.8 156.1 18.7 -28.9 -9.9 161 164 A K T 3 S+ 0 0 78 11,-0.5 7,-0.1 -2,-0.3 12,-0.1 0.718 107.3 69.8 -64.3 -20.2 19.3 -25.4 -8.6 162 165 A E T 3 S+ 0 0 103 2,-0.1 -1,-0.3 7,-0.0 36,-0.1 0.661 71.4 108.0 -74.0 -14.7 22.8 -25.3 -10.1 163 166 A E S < S- 0 0 4 -3,-1.7 5,-0.1 1,-0.1 33,-0.0 -0.410 81.9-123.3 -59.4 143.9 21.3 -25.2 -13.6 164 167 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.456 73.1 107.8 -81.7 1.5 21.8 -21.6 -14.7 165 168 A F S > S- 0 0 72 1,-0.1 3,-1.6 3,-0.0 4,-0.3 -0.327 78.8-112.3 -86.5 161.0 18.2 -20.7 -15.4 166 169 A Y G > S+ 0 0 174 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.746 115.2 59.4 -55.4 -36.0 15.8 -18.4 -13.5 167 170 A W G > S+ 0 0 33 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.677 86.9 76.5 -73.7 -14.9 13.6 -21.3 -12.5 168 171 A G G X S+ 0 0 3 -3,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.778 82.5 68.7 -58.2 -28.1 16.6 -22.8 -10.7 169 172 A V G < S+ 0 0 123 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.739 97.0 51.3 -66.8 -22.9 16.0 -20.3 -7.9 170 173 A S G < S+ 0 0 47 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.492 90.0 102.7 -91.2 -5.9 12.8 -22.0 -6.9 171 174 A Q S < S- 0 0 15 -3,-1.3 -11,-0.1 -4,-0.3 -42,-0.0 -0.401 81.7 -98.6 -77.1 155.2 14.4 -25.4 -6.6 172 175 A P - 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0 0 69 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.311 35.8-119.4 -57.3 147.7 48.5 -54.6 37.0 406 434 A V G > S+ 0 0 72 1,-0.3 3,-2.3 2,-0.2 -2,-0.1 0.838 109.1 66.5 -69.4 -34.6 47.4 -52.8 33.9 407 435 A E G 3 S+ 0 0 174 1,-0.3 -1,-0.3 -38,-0.0 -37,-0.1 0.676 100.8 56.2 -57.8 -14.5 49.4 -55.0 31.5 408 436 A R G < S+ 0 0 133 -3,-1.7 2,-0.5 2,-0.0 -1,-0.3 0.476 78.3 112.8 -97.3 -1.7 47.0 -57.8 32.6 409 437 A W < + 0 0 17 -3,-2.3 2,-0.3 -4,-0.1 -34,-0.1 -0.598 40.1 121.1 -75.2 122.0 43.7 -56.0 31.7 410 438 A N S > S- 0 0 47 -2,-0.5 4,-2.4 -35,-0.1 5,-0.1 -0.946 72.8 -92.9-168.8 175.6 42.0 -57.8 28.9 411 439 A F H > S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 -81,-0.2 0.789 118.6 59.1 -79.6 -24.8 38.7 -59.5 28.1 412 440 A V H > S+ 0 0 58 2,-0.2 4,-2.5 -82,-0.2 -1,-0.2 0.915 112.3 42.7 -61.6 -41.7 39.8 -63.0 29.0 413 441 A L H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.934 111.7 53.2 -70.1 -44.4 40.6 -61.6 32.5 414 442 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 113.0 45.0 -56.4 -44.6 37.4 -59.6 32.6 415 443 A L H X S+ 0 0 24 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.944 111.7 50.7 -66.3 -47.2 35.4 -62.7 31.8 416 444 A A H X S+ 0 0 48 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.888 113.2 45.3 -61.0 -40.5 37.3 -65.0 34.2 417 445 A L H >< S+ 0 0 27 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.876 109.9 56.4 -71.3 -35.3 36.8 -62.6 37.1 418 446 A F H >< S+ 0 0 2 -4,-1.9 3,-1.4 -5,-0.3 4,-0.2 0.937 104.4 52.0 -60.2 -45.7 33.2 -62.1 36.1 419 447 A E H 3< S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.707 117.2 38.4 -62.0 -22.7 32.5 -65.8 36.4 420 448 A K T XX S+ 0 0 116 -4,-0.8 3,-2.2 -3,-0.6 4,-0.6 0.142 78.7 119.0-112.3 16.1 34.0 -66.0 39.9 421 449 A K G X4 + 0 0 15 -3,-1.4 3,-0.8 1,-0.3 -1,-0.1 0.775 67.2 63.2 -59.5 -30.9 32.6 -62.7 41.2 422 450 A A G 34 S+ 0 0 92 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.707 106.0 46.9 -64.5 -19.1 30.6 -64.3 44.0 423 451 A K G <4 S+ 0 0 164 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.551 89.9 105.6 -95.6 -11.8 33.8 -65.6 45.5 424 452 A L S << S- 0 0 33 -3,-0.8 -27,-0.1 -4,-0.6 -28,-0.1 -0.366 81.0 -90.9 -77.8 154.4 35.8 -62.3 45.3 425 453 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 -0.158 48.0 -94.5 -63.4 154.3 36.4 -60.1 48.4 426 454 A S > - 0 0 16 1,-0.2 3,-1.4 -3,-0.1 4,-0.2 -0.566 26.7-155.0 -74.9 114.7 34.0 -57.4 49.3 427 455 A A G > S+ 0 0 12 -2,-0.5 3,-1.9 1,-0.3 -1,-0.2 0.829 91.2 62.7 -55.3 -36.8 35.0 -54.0 47.9 428 456 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.659 96.1 60.5 -69.3 -12.3 33.1 -52.1 50.6 429 457 A Q G < S+ 0 0 147 -3,-1.4 -1,-0.3 3,-0.0 2,-0.2 0.504 99.5 72.1 -89.2 -4.1 35.4 -53.6 53.2 430 458 A Q S < S- 0 0 76 -3,-1.9 3,-0.2 -4,-0.2 -3,-0.0 -0.643 92.7-113.5-109.1 164.5 38.4 -52.1 51.5 431 459 A R S S+ 0 0 244 1,-0.2 2,-1.1 -2,-0.2 -1,-0.1 0.858 76.1 131.2 -61.3 -35.6 39.6 -48.5 51.3 432 460 A G + 0 0 24 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 -0.424 11.6 134.0 64.5 -97.2 38.9 -48.7 47.6 433 461 A A > + 0 0 48 -2,-1.1 4,-0.8 -3,-0.2 3,-0.3 -0.669 43.3 66.7-107.8 12.2 37.3 -46.4 46.9 434 462 A T H > S+ 0 0 74 -2,-0.5 4,-2.6 1,-0.2 3,-0.4 0.851 85.4 68.5 -86.5 -39.5 38.4 -44.7 43.8 435 463 A E H > S+ 0 0 9 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.891 104.1 52.0 -46.9 -39.1 37.6 -47.1 41.1 436 464 A Q H > S+ 0 0 33 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.914 111.6 43.5 -62.3 -46.0 34.0 -46.3 42.0 437 465 A W H X S+ 0 0 142 -4,-0.8 4,-1.7 -3,-0.4 -2,-0.2 0.791 110.6 54.6 -75.8 -27.6 34.4 -42.6 41.7 438 466 A I H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.887 113.2 41.4 -74.2 -39.0 36.4 -42.7 38.4 439 467 A I H X S+ 0 0 1 -4,-1.7 4,-4.1 -5,-0.3 5,-0.2 0.862 111.3 56.3 -76.2 -36.2 33.8 -44.7 36.6 440 468 A A H X S+ 0 0 12 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.895 113.1 41.9 -61.8 -39.2 31.0 -42.7 38.1 441 469 A Q H X S+ 0 0 131 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.871 116.2 49.1 -71.4 -40.3 32.6 -39.6 36.6 442 470 A E H < S+ 0 0 74 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.908 108.3 53.9 -57.5 -43.3 33.4 -41.5 33.4 443 471 A T H < S+ 0 0 48 -4,-4.1 -2,-0.2 1,-0.3 -1,-0.2 0.742 112.9 43.0 -74.1 -24.9 29.7 -42.7 33.3 444 472 A V H < 0 0 128 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.861 360.0 360.0 -69.8 -46.5 28.7 -39.0 33.5 445 473 A L < 0 0 178 -4,-2.8 -3,-0.2 -6,-0.2 -2,-0.1 0.788 360.0 360.0 -83.1 360.0 31.5 -38.3 31.0 446 ! 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 1474 A X 0 0 32 0, 0.0 -388,-0.1 0, 0.0 -387,-0.1 0.000 360.0 360.0 360.0 360.0 10.1 -36.5 -20.7