==== 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 HYDROLASE 13-OCT-98 3EUG . COMPND 2 MOLECULE: PROTEIN (GLYCOSYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.XIAO,M.TORDOVA,J.JAGADEESH,A.C.DROHAT,J.T.STIVERS,G.L.GILL . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 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 . 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 . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 2 1 0 0 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 5 A L 0 0 131 0, 0.0 49,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 140.1 20.0 24.5 32.2 2 6 A T > - 0 0 52 47,-0.1 4,-2.1 46,-0.1 5,-0.2 -0.622 360.0-102.3-101.7 170.7 16.7 22.8 31.5 3 7 A W H > S+ 0 0 9 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.909 124.5 50.3 -53.9 -44.7 15.3 21.5 28.2 4 8 A H H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 106.0 56.7 -68.3 -35.6 13.1 24.5 28.0 5 9 A D H 4 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.944 117.1 33.3 -52.2 -50.5 16.0 26.8 28.6 6 10 A V H < S+ 0 0 23 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.698 126.2 39.7 -87.4 -15.5 18.0 25.4 25.7 7 11 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.431 82.0 100.3-109.2 -1.0 15.1 24.6 23.3 8 12 A A T < S+ 0 0 32 -4,-1.7 4,-0.3 1,-0.2 -1,-0.1 0.907 89.2 42.9 -55.7 -43.0 12.9 27.7 23.9 9 13 A E T >4 S+ 0 0 159 -4,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.926 112.4 52.8 -68.4 -43.7 14.1 29.4 20.7 10 14 A E G >4 S+ 0 0 20 -4,-0.3 3,-1.9 1,-0.3 6,-0.3 0.906 103.6 58.1 -54.8 -40.4 13.9 26.2 18.7 11 15 A K G 3< S+ 0 0 56 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.539 100.6 57.0 -77.6 1.1 10.3 25.7 19.8 12 16 A Q G < S+ 0 0 136 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.328 84.3 108.2-101.3 4.1 9.3 29.1 18.3 13 17 A Q S X> S- 0 0 70 -3,-1.9 4,-2.6 -4,-0.2 3,-1.5 -0.596 77.3-124.6 -82.3 143.2 10.6 28.1 14.9 14 18 A P H 3> S+ 0 0 78 0, 0.0 4,-3.0 0, 0.0 5,-0.5 0.859 108.7 62.5 -55.4 -36.9 8.1 27.5 12.1 15 19 A H H 34 S+ 0 0 58 1,-0.2 4,-0.5 2,-0.2 121,-0.4 0.842 112.4 39.3 -60.6 -25.2 9.4 24.0 11.4 16 20 A F H <> S+ 0 0 10 -3,-1.5 4,-2.0 -6,-0.3 -1,-0.2 0.910 120.3 41.4 -83.0 -52.7 8.4 23.1 15.0 17 21 A L H X S+ 0 0 64 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.882 112.6 53.1 -68.4 -34.8 5.2 25.0 15.3 18 22 A N H X S+ 0 0 76 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.840 106.4 56.2 -67.7 -32.3 3.9 24.1 11.8 19 23 A T H > S+ 0 0 5 -5,-0.5 4,-2.5 -4,-0.5 -2,-0.2 0.968 108.0 46.0 -60.5 -49.4 4.6 20.4 12.7 20 24 A L H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.835 110.9 54.3 -63.3 -32.7 2.3 20.7 15.8 21 25 A Q H X S+ 0 0 116 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.899 108.3 49.0 -63.6 -44.9 -0.3 22.5 13.6 22 26 A T H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.926 112.0 48.4 -61.0 -45.0 -0.3 19.6 11.2 23 27 A V H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.948 111.5 48.6 -61.6 -46.7 -0.6 17.1 14.0 24 28 A A H X S+ 0 0 48 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.913 111.8 50.9 -62.6 -38.2 -3.5 18.9 15.6 25 29 A S H X S+ 0 0 79 -4,-2.4 4,-0.9 2,-0.2 3,-0.4 0.948 109.8 48.4 -62.0 -50.6 -5.3 19.3 12.3 26 30 A E H ><>S+ 0 0 25 -4,-2.6 5,-1.8 1,-0.2 3,-1.2 0.936 105.7 58.2 -60.7 -38.9 -5.0 15.6 11.4 27 31 A R H ><5S+ 0 0 63 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.882 111.5 42.2 -59.3 -33.7 -6.3 14.6 14.9 28 32 A Q H 3<5S+ 0 0 174 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.550 103.1 68.9 -88.1 -5.3 -9.4 16.6 14.1 29 33 A S T <<5S- 0 0 77 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.231 124.7 -87.7 -99.6 18.2 -9.8 15.3 10.6 30 34 A G T < 5S+ 0 0 76 -3,-0.6 2,-0.4 1,-0.3 -3,-0.2 0.605 91.3 124.1 92.4 9.9 -10.6 11.8 11.5 31 35 A V < - 0 0 45 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.3 -0.889 57.2-136.4-103.8 131.7 -7.0 10.5 11.7 32 36 A T - 0 0 77 -2,-0.4 94,-3.1 94,-0.1 2,-0.4 -0.794 23.8-164.5 -85.4 126.4 -5.7 8.9 14.8 33 37 A I E -A 125 0A 5 -2,-0.5 92,-0.2 92,-0.2 4,-0.1 -0.924 18.0-108.1-114.1 138.1 -2.2 10.2 15.7 34 38 A Y E S+A 124 0A 40 90,-2.8 90,-2.0 -2,-0.4 35,-0.1 -0.900 85.4 25.8-119.2 146.5 0.1 8.6 18.1 35 39 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 89,-0.1 0.695 95.7-102.8 -77.8 179.6 1.1 9.1 20.7 36 40 A P >> - 0 0 44 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.229 36.9-106.0 -54.0 152.9 -1.6 11.3 22.3 37 41 A Q G >4 S+ 0 0 135 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.857 118.8 57.1 -54.4 -38.7 -0.7 15.0 22.4 38 42 A K G 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.630 110.5 45.6 -69.6 -12.4 0.0 15.0 26.2 39 43 A D G X4 S+ 0 0 15 -3,-2.1 3,-2.2 1,-0.1 -1,-0.2 0.468 80.0 99.4-105.3 -6.6 2.6 12.2 25.7 40 44 A V T << S+ 0 0 7 -3,-1.1 3,-0.3 -4,-0.7 -2,-0.1 0.832 94.0 33.3 -57.3 -33.5 4.5 13.6 22.7 41 45 A F T >> S+ 0 0 60 -4,-0.3 4,-1.8 1,-0.2 3,-1.2 0.088 77.5 123.2-110.0 24.9 7.4 15.0 24.8 42 46 A N H <> + 0 0 7 -3,-2.2 4,-2.4 1,-0.3 5,-0.2 0.780 67.4 64.6 -61.9 -25.0 7.5 12.5 27.6 43 47 A A H 3> S+ 0 0 3 27,-0.9 4,-1.1 -3,-0.3 -1,-0.3 0.899 107.8 42.4 -63.5 -36.4 11.1 11.7 27.0 44 48 A F H <4 S+ 0 0 17 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.832 112.7 53.8 -71.5 -37.5 12.0 15.2 27.9 45 49 A R H < S+ 0 0 164 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.893 115.9 37.8 -63.7 -39.4 9.5 15.1 30.9 46 50 A F H < S+ 0 0 30 -4,-2.4 2,-0.4 1,-0.2 68,-0.3 0.664 122.0 41.1 -91.5 -15.8 11.1 12.0 32.3 47 51 A T S < S- 0 0 1 -4,-1.1 -1,-0.2 -5,-0.2 5,-0.1 -0.822 77.5-155.4-135.8 92.8 14.8 12.8 31.6 48 52 A E >> - 0 0 69 -2,-0.4 3,-1.7 -3,-0.2 4,-0.6 -0.325 30.9-107.0 -65.8 155.7 15.8 16.3 32.2 49 53 A L G >4 S+ 0 0 3 1,-0.3 3,-1.5 2,-0.2 -47,-0.1 0.886 120.0 49.4 -49.4 -48.3 18.8 17.7 30.3 50 54 A G G 34 S+ 0 0 45 -49,-0.4 -1,-0.3 1,-0.3 -48,-0.1 0.656 110.4 52.6 -72.5 -11.1 21.0 17.7 33.3 51 55 A D G <4 S+ 0 0 109 -3,-1.7 2,-0.3 64,-0.0 -1,-0.3 0.424 76.4 122.3-101.1 -0.2 20.0 14.1 34.1 52 56 A V << + 0 0 0 -3,-1.5 63,-0.2 -4,-0.6 3,-0.1 -0.448 19.0 152.7 -70.0 124.3 20.8 12.6 30.7 53 57 A K + 0 0 25 61,-3.2 103,-2.6 1,-0.4 2,-0.4 0.691 68.0 23.6-114.7 -36.4 23.3 9.8 31.1 54 58 A V E -cd 115 156B 0 60,-2.1 62,-3.0 101,-0.2 2,-0.5 -0.995 64.8-157.1-134.6 134.2 22.5 7.5 28.1 55 59 A V E -cd 116 157B 0 101,-2.8 103,-2.8 -2,-0.4 2,-0.5 -0.983 9.5-177.0-113.3 125.4 20.8 8.5 24.9 56 60 A I E -cd 117 158B 0 60,-2.5 62,-1.3 -2,-0.5 2,-0.4 -0.986 16.2-148.8-118.5 115.8 19.1 5.8 22.9 57 61 A L E -c 118 0B 1 101,-1.2 103,-0.4 -2,-0.5 62,-0.3 -0.699 15.3-177.4 -84.9 136.2 17.6 6.9 19.6 58 62 A G E -c 119 0B 6 60,-2.2 62,-1.0 -2,-0.4 14,-0.1 -0.489 16.6-146.4-102.3-175.3 14.5 5.4 18.1 59 63 A Q S S+ 0 0 65 1,-0.5 62,-2.6 60,-0.3 -1,-0.2 0.569 70.5 15.5-115.3 -80.8 13.2 6.6 14.7 60 64 A D S S- 0 0 26 60,-0.2 -1,-0.5 59,-0.1 62,-0.1 -0.682 80.0-110.7 -94.1 146.9 9.4 6.5 14.4 61 65 A P - 0 0 3 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.399 47.8 -91.3 -64.6 152.1 6.9 6.2 17.3 62 66 A Y - 0 0 44 12,-0.2 6,-0.3 1,-0.1 62,-0.1 -0.359 37.1-147.9 -57.7 148.7 5.1 2.9 17.3 63 67 A H + 0 0 70 4,-0.1 64,-2.4 -3,-0.1 65,-0.2 0.287 59.3 89.4-114.5 15.4 1.9 3.3 15.3 64 68 A G S >> S- 0 0 14 62,-0.2 3,-1.7 1,-0.1 4,-0.6 -0.664 86.1 -78.3-109.1 164.0 -0.6 1.0 17.0 65 69 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.348 114.2 9.9 -61.8 136.7 -3.1 1.5 19.8 66 70 A G T 34 S+ 0 0 25 2,-0.2 10,-1.7 1,-0.1 13,-0.1 0.299 109.1 91.5 85.2 -7.9 -1.6 1.4 23.3 67 71 A Q T <4 + 0 0 47 -3,-1.7 9,-0.4 8,-0.2 2,-0.1 0.968 67.4 57.7 -90.6 -74.2 2.0 1.4 22.0 68 72 A A < + 0 0 6 -4,-0.6 -2,-0.2 -6,-0.3 7,-0.1 -0.362 43.9 154.1 -66.4 132.5 3.5 4.9 21.7 69 73 A H S S- 0 0 2 2,-0.3 -1,-0.1 5,-0.3 3,-0.1 0.082 75.1 -78.2-143.6 25.7 3.6 7.0 24.8 70 74 A G S S+ 0 0 11 1,-0.2 -27,-0.9 4,-0.2 2,-0.4 0.486 100.0 100.9 101.7 4.4 6.5 9.3 24.1 71 75 A L S > S- 0 0 3 3,-0.2 3,-1.3 -29,-0.1 -2,-0.3 -0.985 76.6-108.4-122.0 132.1 9.5 7.1 24.8 72 76 A A T 3 S- 0 0 0 45,-2.4 3,-0.1 -2,-0.4 46,-0.1 -0.265 98.8 -1.2 -55.7 136.6 11.6 5.3 22.2 73 77 A F T 3 S+ 0 0 12 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.136 106.4 117.3 73.2 -12.6 11.1 1.6 22.1 74 78 A S < - 0 0 0 -3,-1.3 2,-0.3 43,-0.1 -5,-0.3 -0.455 42.3-166.2 -88.5 154.7 8.6 1.5 25.0 75 79 A V - 0 0 0 30,-2.6 -8,-0.2 -2,-0.2 -7,-0.1 -0.931 30.8 -92.2-131.8 164.2 4.9 0.6 25.2 76 80 A R > - 0 0 69 -10,-1.7 3,-1.8 -9,-0.4 29,-0.4 -0.227 55.7 -80.3 -69.9 162.1 2.2 1.1 27.8 77 81 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.313 117.6 25.4 -57.2 140.9 1.5 -1.4 30.5 78 82 A G T 3 S+ 0 0 83 1,-0.3 2,-0.3 25,-0.2 -2,-0.1 0.405 96.4 115.2 86.5 -2.4 -0.6 -4.3 29.4 79 83 A I S < S- 0 0 51 -3,-1.8 26,-0.4 -13,-0.1 -1,-0.3 -0.773 76.0 -96.3-102.2 145.6 0.5 -4.0 25.8 80 84 A A - 0 0 81 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 -0.299 40.6-107.5 -59.3 143.3 2.6 -6.7 24.0 81 85 A I - 0 0 31 1,-0.1 -1,-0.1 4,-0.1 -7,-0.1 -0.581 39.7-125.2 -69.1 117.6 6.3 -6.1 24.0 82 86 A P >> - 0 0 9 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.247 22.7-106.8 -67.2 151.9 7.1 -5.1 20.3 83 87 A P H 3> S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.853 117.1 55.6 -48.4 -40.4 9.8 -7.2 18.5 84 88 A S H 3> S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.931 111.4 43.9 -60.5 -43.0 12.5 -4.5 18.7 85 89 A L H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.876 108.9 57.6 -70.9 -35.1 12.2 -4.3 22.4 86 90 A L H X S+ 0 0 47 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.934 107.0 49.1 -59.4 -40.3 12.1 -8.0 22.8 87 91 A N H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.892 109.3 51.6 -70.5 -34.4 15.5 -8.1 21.0 88 92 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.939 109.1 51.2 -59.7 -44.6 16.8 -5.5 23.3 89 93 A Y H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.889 107.8 52.8 -59.2 -38.7 15.6 -7.6 26.2 90 94 A K H X S+ 0 0 78 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.937 109.4 47.6 -65.6 -43.2 17.4 -10.6 24.8 91 95 A E H X S+ 0 0 5 -4,-2.2 4,-0.5 2,-0.2 5,-0.2 0.918 113.6 49.5 -63.0 -40.8 20.7 -8.7 24.5 92 96 A L H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-1.3 0.929 109.1 51.4 -59.4 -47.1 20.2 -7.5 28.1 93 97 A E H 3< S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.861 111.0 49.1 -61.9 -34.6 19.4 -11.1 29.3 94 98 A N H 3< S+ 0 0 124 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.577 125.8 22.9 -81.3 -5.3 22.6 -12.3 27.7 95 99 A T H << S+ 0 0 34 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.2 0.668 99.4 77.7-131.4 -38.6 24.9 -9.6 29.1 96 100 A I S >< S- 0 0 27 -4,-2.9 3,-2.3 -5,-0.2 -1,-0.2 -0.737 82.9-115.2 -87.9 121.5 23.6 -7.9 32.3 97 101 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.212 96.2 6.7 -54.5 129.4 24.1 -10.0 35.4 98 102 A G T 3 S+ 0 0 77 1,-0.2 2,-0.2 -5,-0.1 -5,-0.1 0.363 89.6 144.3 83.1 -6.6 20.8 -11.1 36.9 99 103 A F < - 0 0 14 -3,-2.3 2,-0.3 -7,-0.2 -1,-0.2 -0.485 23.4-179.4 -69.0 138.9 18.6 -9.7 34.2 100 104 A T - 0 0 79 -2,-0.2 -8,-0.0 0, 0.0 -10,-0.0 -0.915 41.6 -77.4-132.5 159.0 15.5 -11.7 33.3 101 105 A R - 0 0 107 -2,-0.3 -15,-0.0 1,-0.1 116,-0.0 -0.304 49.5-133.4 -58.5 118.3 12.7 -11.2 30.7 102 106 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 117,-0.1 -0.356 5.9-133.1 -67.9 158.7 10.4 -8.5 31.9 103 107 A N S S+ 0 0 143 -2,-0.0 2,-0.3 2,-0.0 -25,-0.2 0.057 85.9 38.2-100.5 24.6 6.6 -9.1 31.7 104 108 A H - 0 0 12 114,-0.1 -24,-0.1 -27,-0.1 -28,-0.1 -0.970 69.8-132.7-158.9 169.9 5.9 -5.7 30.2 105 109 A G + 0 0 0 -26,-0.4 -30,-2.6 -29,-0.4 2,-0.6 0.017 59.7 127.5-117.0 23.8 7.4 -3.3 27.7 106 110 A Y + 0 0 26 -32,-0.2 3,-0.3 1,-0.1 -30,-0.1 -0.751 30.6 179.3 -94.5 114.4 7.1 -0.1 29.8 107 111 A L >> + 0 0 0 -2,-0.6 4,-1.7 1,-0.2 3,-1.3 0.166 42.3 116.4-107.3 17.7 10.4 1.8 30.0 108 112 A E H 3> S+ 0 0 36 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.895 75.4 60.8 -48.7 -40.7 9.6 4.9 32.1 109 113 A S H 34 S+ 0 0 21 110,-0.4 4,-0.4 -3,-0.3 -1,-0.3 0.795 101.1 52.7 -68.2 -21.4 12.0 3.6 34.8 110 114 A W H X4>S+ 0 0 0 -3,-1.3 5,-2.2 2,-0.2 3,-1.5 0.940 109.9 48.4 -66.1 -48.1 14.9 3.7 32.4 111 115 A A H ><5S+ 0 0 1 -4,-1.7 3,-1.9 1,-0.3 -2,-0.2 0.904 105.9 57.9 -58.0 -37.8 14.1 7.4 31.6 112 116 A R T 3<5S+ 0 0 139 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.674 104.9 52.6 -69.7 -14.7 13.8 8.1 35.3 113 117 A Q T < 5S- 0 0 61 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.322 133.6 -83.2 -98.3 6.4 17.5 6.9 35.6 114 118 A G T < 5S+ 0 0 3 -3,-1.9 -61,-3.2 -68,-0.3 -60,-2.1 0.568 83.4 136.7 108.5 4.2 18.8 9.1 32.9 115 119 A V E < -c 54 0B 0 -5,-2.2 2,-0.8 -62,-0.2 -1,-0.3 -0.790 43.3-151.4 -89.8 106.6 18.1 7.1 29.8 116 120 A L E -c 55 0B 0 -62,-3.0 -60,-2.5 -2,-0.9 2,-1.2 -0.694 6.7-162.2 -76.1 112.0 16.8 9.6 27.2 117 121 A L E +c 56 0B 1 -2,-0.8 -45,-2.4 -62,-0.2 2,-0.7 -0.710 20.9 175.9-101.7 82.5 14.5 7.5 25.0 118 122 A L E -c 57 0B 0 -62,-1.3 -60,-2.2 -2,-1.2 2,-0.2 -0.825 22.9-160.6-105.1 110.3 14.4 9.8 22.0 119 123 A N E -c 58 0B 15 -2,-0.7 -60,-0.3 -62,-0.3 -59,-0.1 -0.614 20.7-137.5 -73.3 147.5 12.6 9.0 18.8 120 124 A T S S+ 0 0 0 -62,-1.0 21,-0.4 -2,-0.2 2,-0.4 0.752 96.7 43.6 -82.5 -18.7 13.8 11.2 16.0 121 125 A V S S- 0 0 0 -62,-2.6 -1,-0.1 20,-0.1 12,-0.1 -0.977 75.3-162.3-116.1 132.0 10.3 11.7 14.7 122 126 A L + 0 0 10 -2,-0.4 2,-0.3 10,-0.2 -62,-0.1 0.502 64.0 35.9-105.7 -1.5 7.8 12.3 17.6 123 127 A T - 0 0 0 9,-0.1 9,-0.4 -62,-0.1 2,-0.3 -0.963 56.9-179.4-140.2 162.9 4.3 11.6 16.0 124 128 A V E -A 34 0A 0 -90,-2.0 -90,-2.8 -2,-0.3 2,-0.3 -0.989 32.8-106.9-155.7 148.5 2.9 9.1 13.5 125 129 A R E > -AB 33 128A 98 3,-0.5 3,-2.4 -2,-0.3 -92,-0.2 -0.622 55.0 -89.3 -74.0 140.6 -0.5 8.4 11.9 126 130 A A T 3 S+ 0 0 34 -94,-3.1 -62,-0.2 1,-0.3 -94,-0.1 -0.188 109.7 1.4 -47.4 128.5 -2.1 5.2 13.2 127 131 A G T 3 S+ 0 0 40 -64,-2.4 2,-0.5 1,-0.1 -1,-0.3 0.387 110.3 100.2 75.9 -2.6 -1.0 2.2 11.2 128 132 A Q B X -B 125 0A 115 -3,-2.4 3,-1.7 -65,-0.2 -3,-0.5 -0.778 62.7-149.1-125.4 89.0 1.2 4.2 8.9 129 133 A A T 3 S+ 0 0 54 -2,-0.5 -67,-0.1 1,-0.2 -5,-0.1 -0.252 79.8 5.3 -57.1 139.1 4.9 4.1 9.7 130 134 A H T > S+ 0 0 91 -69,-0.2 3,-2.1 1,-0.1 4,-0.3 0.497 83.2 136.9 67.0 12.0 7.0 7.2 8.9 131 135 A S T < S+ 0 0 34 -3,-1.7 3,-0.2 1,-0.3 -7,-0.1 0.715 77.0 38.1 -65.2 -17.9 3.9 9.2 7.9 132 136 A H T > S+ 0 0 1 -9,-0.4 3,-1.4 -4,-0.2 5,-0.4 0.141 85.2 107.0-111.6 20.0 5.1 12.3 9.8 133 137 A A T < S+ 0 0 36 -3,-2.1 5,-0.3 1,-0.3 -2,-0.1 0.686 74.9 54.7 -73.7 -15.0 8.8 11.9 8.9 134 138 A S T 3 S+ 0 0 113 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.262 90.9 87.8-106.9 17.8 8.8 14.7 6.4 135 139 A L S < S- 0 0 55 -3,-1.4 3,-0.3 -116,-0.0 4,-0.2 0.109 104.1 -78.8 -81.1-151.0 7.5 17.3 8.9 136 140 A G S > S+ 0 0 6 -121,-0.4 4,-2.0 1,-0.2 5,-0.1 0.236 99.5 102.2 -99.9 13.6 9.9 19.2 11.1 137 141 A W H > S+ 0 0 2 -5,-0.4 4,-3.1 1,-0.2 5,-0.3 0.899 78.3 52.1 -71.0 -36.8 10.6 16.6 13.7 138 142 A E H > S+ 0 0 36 -5,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.904 110.0 50.7 -63.3 -34.1 14.0 15.5 12.4 139 143 A T H > S+ 0 0 70 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.943 111.4 49.0 -63.6 -44.0 15.1 19.1 12.5 140 144 A F H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.924 113.2 44.6 -62.3 -46.1 13.9 19.4 16.0 141 145 A T H X S+ 0 0 0 -4,-3.1 4,-2.4 -21,-0.4 -1,-0.2 0.820 106.8 60.1 -77.1 -20.7 15.6 16.2 17.2 142 146 A D H X S+ 0 0 80 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.952 108.2 46.5 -60.0 -44.5 18.9 17.3 15.4 143 147 A K H X S+ 0 0 77 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.912 109.0 54.0 -64.6 -42.3 18.8 20.3 17.6 144 148 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.940 112.0 45.1 -54.7 -47.4 18.1 18.2 20.7 145 149 A I H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.936 110.7 53.0 -67.4 -41.4 21.2 16.1 19.9 146 150 A S H X S+ 0 0 37 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.916 109.1 50.1 -57.0 -42.5 23.3 19.0 19.2 147 151 A L H X S+ 0 0 7 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.883 109.2 50.1 -68.9 -36.7 22.5 20.6 22.5 148 152 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.950 109.4 53.2 -65.9 -42.4 23.2 17.5 24.4 149 153 A N H < S+ 0 0 26 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.868 119.0 34.1 -54.9 -40.1 26.6 17.3 22.7 150 154 A Q H < S+ 0 0 110 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.851 124.4 37.7 -86.5 -41.2 27.4 20.9 23.6 151 155 A H H < S+ 0 0 80 -4,-3.1 2,-0.2 -5,-0.2 -3,-0.2 0.710 110.4 58.9 -91.8 -19.7 25.9 21.3 27.0 152 156 A R < - 0 0 37 -4,-2.2 2,-0.4 -5,-0.4 -102,-0.1 -0.655 64.2-149.8-107.9 167.5 26.5 17.9 28.6 153 157 A E S S+ 0 0 105 -2,-0.2 23,-0.2 1,-0.1 22,-0.1 -0.999 71.6 9.9-132.9 135.5 29.7 15.9 29.2 154 158 A G S S+ 0 0 12 21,-2.4 2,-0.3 -2,-0.4 22,-0.2 0.752 75.4 158.3 74.6 24.8 30.3 12.2 29.3 155 159 A V - 0 0 1 20,-0.1 22,-2.9 -7,-0.1 2,-0.6 -0.592 37.1-134.6 -80.3 139.8 26.9 11.0 27.9 156 160 A V E -de 54 177B 0 -103,-2.6 -101,-2.8 -2,-0.3 2,-0.5 -0.891 18.7-160.9 -92.3 123.9 26.8 7.5 26.3 157 161 A F E -de 55 178B 1 20,-3.0 22,-2.8 -2,-0.6 2,-0.7 -0.944 5.0-159.2-108.5 128.7 25.0 7.5 23.0 158 162 A L E -de 56 179B 0 -103,-2.8 -101,-1.2 -2,-0.5 2,-0.8 -0.917 10.5-168.1-104.7 108.3 23.7 4.2 21.7 159 163 A L E - e 0 180B 3 20,-3.0 22,-2.2 -2,-0.7 2,-0.6 -0.863 5.1-175.0-108.0 106.6 23.2 4.5 18.0 160 164 A W E + e 0 181B 3 -2,-0.8 4,-0.5 -103,-0.4 23,-0.2 -0.901 50.7 2.8-110.2 117.6 21.3 1.6 16.5 161 165 A G S > S- 0 0 14 20,-2.3 4,-2.3 -2,-0.6 5,-0.2 -0.008 91.9 -77.0 92.2 160.5 20.8 1.3 12.8 162 166 A S H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 127.0 55.8 -64.1 -35.9 22.1 3.6 10.0 163 167 A H H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.963 111.8 42.3 -61.7 -50.7 19.5 6.3 10.6 164 168 A A H > S+ 0 0 5 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.870 112.7 54.8 -61.8 -38.2 20.5 6.7 14.2 165 169 A Q H < S+ 0 0 51 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.915 110.6 44.6 -65.5 -39.2 24.2 6.5 13.3 166 170 A K H >< S+ 0 0 175 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.934 109.3 57.0 -67.3 -43.6 23.9 9.2 10.8 167 171 A K H 3< S+ 0 0 19 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.866 117.6 34.0 -51.2 -36.6 21.9 11.3 13.3 168 172 A G T >< S+ 0 0 4 -4,-1.8 3,-1.8 1,-0.2 -1,-0.3 0.320 82.7 112.9-109.3 14.5 24.7 11.1 15.8 169 173 A A T < S+ 0 0 67 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.711 78.3 49.0 -63.7 -20.8 27.6 11.1 13.4 170 174 A I T 3 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.296 78.9 126.0-104.3 11.6 28.8 14.5 14.6 171 175 A I S < S- 0 0 9 -3,-1.8 2,-0.7 1,-0.1 7,-0.1 -0.430 74.5-102.0 -63.3 142.7 28.7 13.8 18.3 172 176 A D > - 0 0 36 1,-0.2 4,-2.1 -2,-0.1 -1,-0.1 -0.571 32.9-165.2 -69.7 109.2 32.0 14.5 20.1 173 177 A K T 4 S+ 0 0 140 -2,-0.7 5,-0.2 2,-0.2 -1,-0.2 0.432 83.2 50.5 -83.0 3.4 33.5 11.1 20.6 174 178 A Q T 4 S+ 0 0 161 3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.818 117.1 35.4-100.6 -46.8 36.1 12.3 23.1 175 179 A R T 4 S+ 0 0 70 -22,-0.1 -21,-2.4 -26,-0.0 2,-0.2 0.778 129.4 34.4 -76.3 -26.0 33.9 14.2 25.5 176 180 A H S < S- 0 0 0 -4,-2.1 2,-0.6 -22,-0.2 -20,-0.2 -0.704 83.7-118.5-119.4 177.8 31.0 11.7 25.0 177 181 A H E -e 156 0B 53 -22,-2.9 -20,-3.0 -2,-0.2 2,-0.6 -0.944 26.0-166.9-122.6 114.0 31.0 8.0 24.4 178 182 A V E -e 157 0B 25 -2,-0.6 2,-0.4 -5,-0.2 -20,-0.2 -0.893 5.7-177.7-110.7 122.1 29.5 6.8 21.1 179 183 A L E -e 158 0B 27 -22,-2.8 -20,-3.0 -2,-0.6 2,-0.3 -0.966 8.5-162.3-117.7 130.2 28.6 3.2 20.6 180 184 A K E +e 159 0B 142 -2,-0.4 -20,-0.2 -22,-0.2 -22,-0.0 -0.841 18.8 147.3-112.7 148.3 27.2 1.9 17.3 181 185 A A E -e 160 0B 6 -22,-2.2 -20,-2.3 -2,-0.3 12,-0.2 -0.960 49.7 -81.3-161.7 162.9 25.4 -1.3 16.3 182 186 A P - 0 0 41 0, 0.0 14,-0.1 0, 0.0 10,-0.1 -0.162 63.9 -85.8 -58.0 162.9 22.7 -2.5 13.9 183 187 A H - 0 0 46 -23,-0.2 10,-0.3 1,-0.1 8,-0.2 -0.371 26.8-125.7 -77.3 148.8 19.1 -2.0 14.9 184 188 A P S S+ 0 0 0 0, 0.0 -97,-0.2 0, 0.0 5,-0.1 0.543 72.2 118.3 -75.4 -2.3 17.3 -4.4 17.2 185 189 A S S >> S- 0 0 26 1,-0.1 4,-2.7 -98,-0.1 3,-2.2 -0.310 83.3-110.1 -55.4 148.4 14.4 -4.8 14.8 186 190 A P T 34 S+ 0 0 71 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.770 117.4 65.5 -51.8 -27.4 14.0 -8.4 13.6 187 191 A L T 34 S+ 0 0 156 1,-0.2 -2,-0.1 2,-0.1 -4,-0.0 0.729 123.7 9.4 -69.6 -21.4 15.2 -7.2 10.2 188 192 A S T X4>S+ 0 0 25 -3,-2.2 3,-2.3 -5,-0.2 5,-0.6 0.543 95.7 98.9-132.9 -9.6 18.7 -6.3 11.5 189 193 A A G >X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.3 4,-1.0 0.838 88.4 48.9 -60.0 -33.7 19.2 -7.6 15.1 190 194 A H G 345S+ 0 0 146 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.464 95.4 76.2 -85.8 3.9 21.1 -10.7 14.0 191 195 A R G <45S- 0 0 199 -3,-2.3 -1,-0.3 -8,-0.2 -2,-0.2 0.160 133.7 -51.6 -96.6 17.7 23.4 -8.6 11.8 192 196 A G T <45S+ 0 0 32 -3,-0.9 -2,-0.2 -11,-0.1 -3,-0.1 0.370 114.6 99.4 130.7 -5.1 25.3 -7.3 14.8 193 197 A F T >< + 0 0 47 -4,-0.3 4,-2.3 1,-0.1 5,-0.2 0.757 33.0 151.7 58.7 27.2 27.0 -5.6 24.5 198 202 A H H > + 0 0 7 -5,-0.2 4,-2.1 1,-0.2 5,-0.2 0.776 60.4 58.9 -67.6 -26.5 26.0 -1.9 24.7 199 203 A F H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 112.1 39.0 -72.9 -44.0 24.2 -2.0 28.0 200 204 A V H > S+ 0 0 23 2,-0.2 4,-3.1 -3,-0.2 5,-0.2 0.919 115.9 52.4 -64.0 -47.2 27.2 -3.3 29.9 201 205 A L H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.919 109.2 50.2 -59.9 -37.3 29.6 -1.1 28.0 202 206 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.947 111.2 48.2 -63.6 -46.9 27.5 2.0 28.7 203 207 A N H X S+ 0 0 16 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.910 109.8 52.5 -63.9 -39.6 27.4 1.1 32.4 204 208 A Q H X S+ 0 0 85 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.912 109.7 48.7 -62.6 -41.1 31.2 0.6 32.5 205 209 A W H X S+ 0 0 45 -4,-2.4 4,-1.4 -5,-0.2 6,-0.2 0.946 112.1 49.2 -59.4 -47.7 31.8 4.0 30.9 206 210 A L H <>S+ 0 0 1 -4,-2.5 5,-2.7 -5,-0.2 3,-0.5 0.945 112.8 47.6 -58.8 -44.6 29.4 5.6 33.4 207 211 A E H ><5S+ 0 0 97 -4,-2.8 3,-2.7 1,-0.2 -2,-0.2 0.922 103.4 59.6 -57.3 -52.3 31.2 3.8 36.3 208 212 A Q H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 110.1 47.0 -44.5 -37.6 34.7 4.8 35.1 209 213 A H T 3<5S- 0 0 100 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.101 123.1-100.3 -97.4 18.2 33.5 8.4 35.5 210 214 A G T < 5S+ 0 0 73 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.620 81.2 128.0 79.9 6.0 31.8 8.2 38.9 211 215 A E < - 0 0 63 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.755 63.9-109.9 -96.2 150.0 28.3 7.9 37.7 212 216 A T - 0 0 93 -2,-0.3 -1,-0.0 -3,-0.1 -5,-0.0 -0.489 37.3-112.7 -71.2 145.3 26.0 5.2 38.8 213 217 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.236 32.4 -98.9 -70.3 163.2 25.1 2.5 36.2 214 218 A I - 0 0 6 -15,-0.2 2,-0.9 -100,-0.0 -11,-0.1 -0.697 21.3-136.7 -82.5 133.7 21.7 2.1 34.8 215 219 A D - 0 0 94 -2,-0.4 -102,-0.1 -106,-0.2 -1,-0.0 -0.835 21.0-166.9 -85.1 104.0 19.5 -0.7 36.2 216 220 A W + 0 0 2 -2,-0.9 -1,-0.1 2,-0.1 -106,-0.1 0.515 56.7 101.3 -79.5 -3.9 18.2 -2.0 32.9 217 221 A M S S- 0 0 55 -108,-0.1 2,-0.1 -125,-0.0 -2,-0.1 -0.710 71.2-142.1 -80.6 110.3 15.4 -4.1 34.4 218 222 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -111,-0.1 -0.400 15.0-156.0 -80.2 146.0 12.3 -1.9 33.8 219 223 A V - 0 0 85 -2,-0.1 -110,-0.4 -117,-0.1 3,-0.1 -0.954 10.7-125.8-128.9 145.1 9.6 -1.7 36.4 220 224 A L - 0 0 68 -2,-0.4 -113,-0.0 1,-0.1 -116,-0.0 -0.493 39.0 -93.7 -76.7 149.4 5.9 -0.8 36.3 221 225 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.314 51.3-120.4 -56.1 145.5 4.3 1.8 38.5 222 226 A A - 0 0 97 1,-0.1 2,-0.2 -3,-0.1 -3,-0.0 -0.395 16.3-107.7 -88.2 167.0 3.0 0.2 41.7 223 227 A E - 0 0 193 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.523 27.3-158.9 -81.9 154.4 -0.5 -0.0 43.2 224 228 A S 0 0 114 -2,-0.2 -1,-0.0 1,-0.0 0, 0.0 -0.798 360.0 360.0-119.7 176.8 -1.6 1.9 46.3 225 229 A E 0 0 263 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.491 360.0 360.0 -65.4 360.0 -4.5 1.2 48.7