==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-JAN-10 3LCW . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-Y.CHOU,A.H.-J.WANG,T.-P.KO . 1164 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 889 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 4 0.3 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 . 2 0.2 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 . 83 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 476 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.3 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 4 0 0 4 4 0 5 5 2 8 4 4 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 12 12 4 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 4 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 N 0 0 150 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.9 -53.0 -95.6 -33.7 2 5 A L + 0 0 5 157,-0.1 2,-0.1 70,-0.0 72,-0.0 0.308 360.0 117.1 -98.5 7.1 -50.2 -93.4 -32.2 3 6 A R + 0 0 176 198,-0.1 2,-0.3 2,-0.1 198,-0.1 -0.479 50.6 61.8 -73.8 144.8 -49.8 -91.0 -35.2 4 7 A G S S- 0 0 10 -2,-0.1 198,-1.9 2,-0.1 2,-0.7 -0.869 85.8 -45.4 142.0-174.3 -50.6 -87.4 -34.4 5 8 A V E -a 202 0A 2 -2,-0.3 32,-2.0 196,-0.2 33,-0.9 -0.891 50.9-178.3-105.2 106.6 -50.0 -84.2 -32.6 6 9 A M E -ab 203 38A 0 196,-3.0 198,-1.3 -2,-0.7 2,-0.3 -0.892 21.0-133.9-109.4 133.7 -49.5 -84.8 -28.9 7 10 A A E -ab 204 39A 0 31,-2.3 33,-2.9 -2,-0.4 2,-1.1 -0.677 17.3-126.8 -87.2 138.2 -48.9 -82.0 -26.4 8 11 A A E - b 0 40A 4 196,-2.6 200,-0.2 -2,-0.3 33,-0.2 -0.747 37.6-130.6 -82.6 101.0 -46.1 -82.4 -23.9 9 12 A L - 0 0 3 31,-1.5 33,-0.4 -2,-1.1 34,-0.3 -0.289 12.8-140.8 -62.0 131.2 -48.1 -81.8 -20.7 10 13 A L - 0 0 1 195,-0.1 36,-0.2 36,-0.1 35,-0.1 -0.404 15.3-126.6 -81.3 165.8 -46.8 -79.3 -18.1 11 14 A T - 0 0 1 34,-0.5 2,-0.2 -2,-0.1 13,-0.0 -0.924 21.1-143.9-119.8 104.8 -47.2 -80.1 -14.4 12 15 A P - 0 0 1 0, 0.0 8,-2.7 0, 0.0 2,-0.3 -0.464 19.2-168.7 -69.0 132.9 -48.9 -77.2 -12.4 13 16 A F B -I 19 0B 0 251,-0.6 253,-0.4 253,-0.6 251,-0.4 -0.811 15.0-124.4-120.3 161.4 -47.7 -76.6 -8.9 14 17 A D > - 0 0 44 4,-2.8 3,-2.0 -2,-0.3 6,-0.1 -0.280 45.5 -82.0 -92.9-176.3 -49.0 -74.5 -6.0 15 18 A Q T 3 S+ 0 0 124 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.712 131.6 51.8 -60.9 -20.8 -47.1 -71.7 -4.0 16 19 A Q T 3 S- 0 0 151 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.098 120.6-107.3-102.5 21.8 -45.4 -74.4 -1.9 17 20 A Q S < S+ 0 0 46 -3,-2.0 2,-0.2 1,-0.2 -2,-0.1 0.582 76.7 135.0 65.9 12.4 -44.2 -76.3 -5.0 18 21 A A - 0 0 43 1,-0.1 -4,-2.8 250,-0.0 -1,-0.2 -0.569 68.1 -81.2 -90.7 157.5 -46.7 -79.1 -4.4 19 22 A L B -I 13 0B 27 -6,-0.2 2,-0.9 -2,-0.2 -6,-0.3 -0.294 37.5-143.9 -56.4 131.3 -48.8 -80.7 -7.2 20 23 A D > - 0 0 23 -8,-2.7 4,-1.9 1,-0.2 5,-0.1 -0.833 18.0-176.8-102.2 98.4 -51.9 -78.6 -8.0 21 24 A K H > S+ 0 0 98 -2,-0.9 4,-2.1 2,-0.2 5,-0.2 0.933 79.1 52.8 -61.7 -50.7 -54.6 -81.1 -8.8 22 25 A A H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 113.6 45.2 -53.3 -45.0 -57.3 -78.6 -9.8 23 26 A S H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.834 107.4 57.4 -68.3 -34.9 -55.0 -76.9 -12.3 24 27 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.924 108.0 47.9 -61.3 -45.1 -53.7 -80.2 -13.8 25 28 A R H X S+ 0 0 83 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.912 110.1 51.8 -63.5 -42.0 -57.2 -81.2 -14.7 26 29 A R H X S+ 0 0 99 -4,-1.7 4,-3.4 -5,-0.2 -1,-0.2 0.915 108.1 51.0 -61.5 -43.6 -57.9 -77.8 -16.2 27 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.882 110.8 50.3 -61.9 -38.0 -54.8 -78.0 -18.4 28 31 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 3,-0.4 0.996 114.2 42.1 -61.2 -62.1 -55.9 -81.5 -19.5 29 32 A Q H X S+ 0 0 72 -4,-2.8 4,-3.0 1,-0.3 -2,-0.2 0.903 113.7 55.4 -50.3 -43.3 -59.4 -80.3 -20.4 30 33 A F H X S+ 0 0 34 -4,-3.4 4,-1.0 -5,-0.2 -1,-0.3 0.891 107.9 46.8 -58.6 -43.8 -57.9 -77.2 -22.0 31 34 A N H ><>S+ 0 0 0 -4,-2.4 5,-1.2 -3,-0.4 3,-0.6 0.930 112.8 49.8 -65.4 -43.2 -55.6 -79.2 -24.2 32 35 A I H ><5S+ 0 0 16 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.900 106.4 55.5 -61.3 -40.7 -58.6 -81.4 -25.2 33 36 A Q H 3<5S+ 0 0 155 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.771 101.1 61.2 -62.5 -24.8 -60.6 -78.3 -26.0 34 37 A Q T <<5S- 0 0 25 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.499 118.4-111.5 -80.0 -4.8 -57.8 -77.3 -28.3 35 38 A G T < 5 + 0 0 44 -3,-1.9 2,-0.2 -4,-0.2 -3,-0.2 0.879 55.4 170.4 76.7 37.7 -58.4 -80.4 -30.5 36 39 A I < - 0 0 8 -5,-1.2 -1,-0.2 1,-0.1 -30,-0.2 -0.538 36.9-135.5 -81.1 147.9 -55.1 -82.0 -29.5 37 40 A D S S- 0 0 63 -32,-2.0 35,-2.3 1,-0.2 2,-0.3 0.786 71.8 -41.9 -74.8 -27.6 -54.6 -85.6 -30.6 38 41 A G E -bc 6 72A 0 -33,-0.9 -31,-2.3 33,-0.2 2,-0.4 -0.982 58.2 -93.7-179.5-178.0 -53.2 -86.7 -27.2 39 42 A L E -bc 7 73A 0 33,-2.3 35,-3.0 -2,-0.3 2,-0.7 -0.964 10.8-153.8-126.6 140.6 -51.0 -86.0 -24.3 40 43 A Y E -bc 8 74A 1 -33,-2.9 -31,-1.5 -2,-0.4 3,-0.4 -0.937 31.3-170.2-109.0 102.8 -47.4 -86.9 -23.5 41 44 A V E + c 0 75A 1 33,-2.6 35,-3.5 -2,-0.7 -31,-0.1 -0.760 55.6 22.3-105.9 145.9 -47.3 -86.9 -19.7 42 45 A G S S+ 0 0 6 -33,-0.4 -1,-0.2 -2,-0.3 -32,-0.1 0.710 89.3 130.5 80.2 21.2 -44.3 -87.1 -17.3 43 46 A G S >S- 0 0 2 -3,-0.4 5,-1.5 -34,-0.3 3,-0.5 -0.111 79.8 -76.9 -91.5-167.0 -41.8 -85.9 -19.8 44 47 A S T > 5S+ 0 0 4 1,-0.3 3,-2.7 2,-0.2 5,-0.2 0.955 133.5 52.7 -55.5 -52.8 -39.2 -83.2 -19.6 45 48 A T T 3 5S+ 0 0 13 1,-0.3 -34,-0.5 2,-0.1 -1,-0.3 0.745 101.2 62.3 -55.0 -27.5 -41.8 -80.5 -20.0 46 49 A G T 3 5S- 0 0 0 -3,-0.5 -1,-0.3 -36,-0.2 -2,-0.2 0.422 111.7-121.6 -80.8 3.2 -43.7 -82.1 -17.2 47 50 A E T X 5 + 0 0 0 -3,-2.7 3,-1.7 -4,-0.1 -3,-0.2 0.786 58.5 154.7 60.4 30.7 -40.8 -81.4 -14.8 48 51 A A G > < + 0 0 0 -5,-1.5 3,-1.8 1,-0.3 -4,-0.1 0.814 60.7 64.3 -57.6 -35.2 -40.5 -85.1 -14.1 49 52 A F G 3 S+ 0 0 23 1,-0.3 -1,-0.3 -5,-0.2 908,-0.2 0.363 103.2 47.5 -77.8 9.8 -36.9 -84.9 -13.2 50 53 A V G < S+ 0 0 0 -3,-1.7 -1,-0.3 906,-0.1 2,-0.3 0.046 103.7 81.3-129.5 18.3 -37.6 -82.8 -10.2 51 54 A Q S < S- 0 0 15 -3,-1.8 2,-0.2 217,-0.0 906,-0.1 -0.818 78.4-118.0-120.0 161.7 -40.5 -85.0 -9.1 52 55 A S > - 0 0 41 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.481 32.3-107.7 -92.5 168.0 -40.5 -88.3 -7.1 53 56 A L H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 123.2 55.0 -62.4 -41.3 -41.8 -91.6 -8.6 54 57 A S H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 108.7 47.0 -55.0 -50.8 -44.7 -91.2 -6.3 55 58 A E H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 111.5 50.5 -61.0 -39.4 -45.5 -87.7 -7.7 56 59 A R H X S+ 0 0 12 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.832 109.7 50.5 -70.0 -30.8 -45.1 -88.9 -11.2 57 60 A A H X S+ 0 0 21 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.894 108.2 53.5 -73.1 -36.2 -47.5 -91.8 -10.6 58 61 A Q H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.899 108.2 49.2 -62.9 -40.6 -50.0 -89.4 -9.1 59 62 A V H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.893 109.2 54.2 -65.8 -37.6 -49.9 -87.2 -12.2 60 63 A L H X S+ 0 0 3 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.917 109.9 46.0 -61.2 -46.2 -50.4 -90.3 -14.3 61 64 A E H X S+ 0 0 85 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.972 112.9 47.4 -62.1 -57.2 -53.6 -91.3 -12.5 62 65 A I H X S+ 0 0 8 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.915 113.2 48.5 -52.7 -48.4 -55.2 -87.9 -12.4 63 66 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.919 111.0 50.8 -60.7 -43.8 -54.5 -87.3 -16.2 64 67 A A H X S+ 0 0 7 -4,-2.1 4,-3.3 -5,-0.2 3,-0.4 0.952 107.9 53.2 -58.1 -48.7 -55.9 -90.7 -17.0 65 68 A E H < S+ 0 0 116 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.9 42.4 -52.7 -37.1 -59.0 -90.0 -14.9 66 69 A E H < S+ 0 0 50 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.712 132.3 15.1 -85.9 -22.0 -59.5 -86.8 -17.0 67 70 A A H >X S+ 0 0 2 -4,-2.0 4,-1.6 -3,-0.4 3,-1.3 0.582 72.5 131.8-133.7 -9.7 -58.7 -88.1 -20.4 68 71 A K T 3< S+ 0 0 141 -4,-3.3 2,-0.4 -5,-0.3 4,-0.1 -0.250 94.6 7.4 -49.6 126.7 -58.7 -91.9 -20.8 69 72 A G T 34 S+ 0 0 65 2,-0.5 -1,-0.3 27,-0.2 3,-0.1 -0.162 116.5 81.2 91.9 -42.3 -60.8 -92.5 -23.9 70 73 A K T <4 S- 0 0 129 -3,-1.3 2,-0.3 -2,-0.4 -2,-0.2 0.954 109.6 -13.3 -61.3 -53.7 -61.1 -88.8 -24.8 71 74 A I S < S- 0 0 16 -4,-1.6 -2,-0.5 -32,-0.0 -33,-0.2 -0.891 89.2 -69.5-142.5 172.1 -57.6 -88.6 -26.4 72 75 A K E -c 38 0A 77 -35,-2.3 -33,-2.3 -2,-0.3 2,-0.4 -0.346 45.3-154.9 -65.3 147.4 -54.4 -90.6 -26.8 73 76 A L E -c 39 0A 0 -35,-0.2 25,-2.3 23,-0.1 26,-1.1 -0.957 12.9-178.3-132.4 114.8 -52.3 -90.9 -23.6 74 77 A I E -cd 40 99A 0 -35,-3.0 -33,-2.6 -2,-0.4 2,-0.6 -0.939 15.1-149.9-112.1 132.5 -48.6 -91.6 -23.6 75 78 A A E -cd 41 100A 0 24,-2.9 26,-1.9 -2,-0.5 2,-0.9 -0.896 6.1-146.4-107.4 113.2 -46.8 -92.0 -20.3 76 79 A H E + d 0 101A 2 -35,-3.5 26,-0.2 -2,-0.6 24,-0.1 -0.669 26.2 169.9 -76.9 110.4 -43.1 -90.9 -20.1 77 80 A V + 0 0 0 24,-3.6 11,-0.2 -2,-0.9 25,-0.2 0.432 23.3 138.3-102.9 -0.6 -41.8 -93.4 -17.6 78 81 A G + 0 0 0 23,-1.0 2,-0.3 10,-0.1 26,-0.1 -0.135 14.5 152.9 -58.6 134.6 -38.1 -92.6 -18.1 79 82 A C - 0 0 8 2,-0.2 847,-0.1 24,-0.2 6,-0.1 -0.868 55.0-110.7-143.7 169.6 -35.6 -92.4 -15.2 80 83 A V S S+ 0 0 11 -2,-0.3 2,-0.2 845,-0.2 -1,-0.1 0.947 104.0 74.2 -71.1 -44.5 -31.9 -93.1 -15.2 81 84 A S S > S- 0 0 3 844,-0.3 4,-1.6 1,-0.1 -2,-0.2 -0.442 73.9-150.3 -68.5 130.7 -32.6 -96.2 -13.1 82 85 A T H > S+ 0 0 5 1063,-1.0 4,-1.9 -2,-0.2 5,-0.2 0.907 96.8 54.5 -67.4 -41.7 -34.1 -99.1 -15.0 83 86 A A H > S+ 0 0 51 1062,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.926 108.6 46.1 -58.5 -49.0 -35.9 -100.3 -11.9 84 87 A E H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 110.3 55.0 -62.7 -38.2 -37.6 -97.0 -11.2 85 88 A S H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.867 107.9 49.4 -62.4 -36.9 -38.6 -96.7 -14.9 86 89 A Q H X S+ 0 0 52 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.927 105.7 56.1 -67.8 -45.0 -40.3 -100.1 -14.7 87 90 A Q H X S+ 0 0 121 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.891 112.5 42.7 -54.0 -41.2 -42.2 -99.2 -11.6 88 91 A L H X S+ 0 0 3 -4,-1.8 4,-2.2 -11,-0.2 -1,-0.2 0.838 107.9 58.8 -76.0 -33.0 -43.7 -96.2 -13.4 89 92 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.855 103.8 54.4 -63.6 -32.6 -44.3 -98.3 -16.6 90 93 A A H X S+ 0 0 49 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.888 105.2 51.1 -68.0 -40.6 -46.5 -100.5 -14.4 91 94 A S H X S+ 0 0 17 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.916 106.3 57.7 -61.6 -42.5 -48.6 -97.5 -13.2 92 95 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 3,-0.5 0.951 111.7 38.4 -52.3 -56.6 -49.0 -96.6 -16.9 93 96 A K H ><5S+ 0 0 87 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.936 115.3 56.1 -60.2 -44.9 -50.6 -99.9 -17.8 94 97 A R H 3<5S+ 0 0 198 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.0 44.0 -57.3 -29.8 -52.4 -99.9 -14.5 95 98 A H T 3<5S- 0 0 42 -4,-2.2 -1,-0.3 -3,-0.5 -2,-0.2 0.306 117.5-103.1-103.6 9.8 -53.9 -96.5 -15.3 96 99 A G T < 5 + 0 0 29 -3,-1.5 -27,-0.2 -4,-0.4 -3,-0.2 0.655 58.0 162.1 84.8 14.9 -55.0 -97.1 -19.0 97 100 A F < - 0 0 6 -5,-2.1 -1,-0.2 -6,-0.2 -23,-0.2 -0.345 38.9-138.2 -66.6 153.1 -52.3 -95.2 -20.9 98 101 A D S S+ 0 0 57 -25,-2.3 2,-0.3 1,-0.2 -24,-0.2 0.580 78.5 1.3 -87.2 -12.3 -52.1 -96.2 -24.6 99 102 A A E -d 74 0A 0 -26,-1.1 -24,-2.9 30,-0.2 2,-0.3 -0.986 60.9-131.1-169.6 161.7 -48.3 -96.2 -24.5 100 103 A V E -de 75 131A 0 30,-2.5 32,-1.9 -2,-0.3 2,-0.3 -0.756 19.0-171.1-116.5 162.5 -45.1 -95.8 -22.5 101 104 A S E -de 76 132A 0 -26,-1.9 -24,-3.6 -2,-0.3 -23,-1.0 -0.989 3.6-169.8-153.7 149.8 -42.0 -93.7 -23.3 102 105 A A E - e 0 133A 0 30,-1.2 32,-1.5 -2,-0.3 2,-0.1 -0.976 21.3-129.0-149.1 130.9 -38.5 -93.3 -21.8 103 106 A V E - e 0 134A 0 -2,-0.3 -24,-0.2 30,-0.1 32,-0.2 -0.461 48.0 -89.3 -72.4 150.7 -35.7 -90.9 -22.4 104 107 A T - 0 0 0 30,-1.4 -1,-0.1 1,-0.1 38,-0.1 -0.423 57.3 -95.4 -59.9 128.7 -32.3 -92.5 -23.0 105 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.212 55.8-164.1 -48.8 135.4 -30.7 -92.9 -19.5 106 109 A F + 0 0 11 -3,-0.1 2,-2.1 3,-0.1 35,-0.1 -0.539 49.1 38.6-119.8-176.6 -28.4 -89.9 -18.9 107 110 A Y S S+ 0 0 15 33,-0.7 910,-0.1 908,-0.2 -1,-0.0 -0.504 106.0 62.9 75.1 -72.7 -25.6 -88.6 -16.7 108 111 A Y S S- 0 0 6 -2,-2.1 2,-0.4 817,-0.1 907,-0.0 -0.631 96.5-115.3 -80.7 138.2 -23.7 -91.9 -16.6 109 112 A P - 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0 0 5 -5,-2.2 -1,-0.3 -6,-0.1 -15,-0.2 -0.570 34.7-166.8 -76.6 139.5 -34.4 -70.4 -47.8 784 203 C D S S+ 0 0 52 -17,-1.2 -196,-0.4 -2,-0.2 2,-0.3 0.199 70.9 0.4-110.2 14.1 -35.3 -69.2 -51.3 785 204 C G E - a 0 768F 2 -18,-1.1 -16,-1.4 -198,-0.1 2,-0.3 -0.858 66.2-140.2-168.4-157.9 -32.5 -71.0 -53.0 786 205 C G E -ta 589 769F 0 -198,-1.8 -196,-2.7 -18,-0.3 2,-0.4 -0.862 7.5-146.5 175.9 148.0 -29.5 -73.2 -52.4 787 206 C I E +t 590 0F 2 -18,-1.6 2,-0.3 -2,-0.3 -196,-0.2 -0.997 32.5 166.5-126.5 124.2 -26.0 -74.0 -53.3 788 207 C G E -t 591 0F 3 -198,-1.3 -196,-3.4 -2,-0.4 4,-0.2 -0.970 43.8-138.8-143.1 159.2 -24.8 -77.6 -53.4 789 208 C S S > S+ 0 0 16 -2,-0.3 3,-0.8 -198,-0.2 -195,-0.1 0.754 105.0 56.3 -83.7 -28.1 -22.1 -79.9 -54.5 790 209 C T T >> S+ 0 0 4 1,-0.2 3,-1.8 2,-0.1 4,-0.9 0.605 84.2 83.1 -81.1 -9.9 -24.4 -82.7 -55.6 791 210 C Y H >> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.838 77.2 73.5 -58.4 -31.9 -26.2 -80.3 -58.0 792 211 C N H <4 S+ 0 0 0 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.691 109.2 27.4 -55.2 -24.1 -23.3 -81.1 -60.3 793 212 C I H <4 S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.435 142.0 13.6-119.6 -3.9 -24.8 -84.5 -61.0 794 213 C M H XX + 0 0 0 -4,-0.9 3,-1.4 -3,-0.6 4,-1.0 0.047 66.8 141.9-163.9 41.2 -28.5 -83.9 -60.4 795 214 C G H 3X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.3 5,-0.1 0.760 71.5 67.3 -59.7 -25.2 -29.3 -80.2 -60.2 796 215 C W H 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.820 94.8 57.1 -66.5 -30.0 -32.6 -80.8 -62.1 797 216 C R H <> S+ 0 0 17 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.937 108.2 45.4 -64.8 -46.5 -33.9 -82.8 -59.1 798 217 C Y H X S+ 0 0 0 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.864 111.4 53.4 -64.8 -35.3 -33.4 -79.8 -56.8 799 218 C Q H X S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.877 108.9 50.0 -65.6 -35.9 -34.9 -77.6 -59.5 800 219 C G H X S+ 0 0 22 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.816 105.3 56.0 -71.1 -31.7 -37.9 -80.0 -59.5 801 220 C I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.932 107.2 50.3 -64.9 -43.1 -38.1 -79.7 -55.7 802 221 C V H X S+ 0 0 49 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.907 113.5 45.3 -60.1 -43.4 -38.4 -75.9 -56.1 803 222 C K H X S+ 0 0 129 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.962 109.5 53.8 -66.2 -51.6 -41.2 -76.4 -58.6 804 223 C A H <>S+ 0 0 5 -4,-3.1 5,-3.4 1,-0.2 -1,-0.2 0.872 114.5 42.0 -51.1 -41.9 -43.1 -79.0 -56.7 805 224 C L H ><5S+ 0 0 11 -4,-2.1 3,-2.3 3,-0.2 -579,-0.3 0.929 110.5 54.1 -73.2 -45.3 -43.2 -76.7 -53.6 806 225 C K H 3<5S+ 0 0 172 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.818 113.4 46.6 -57.1 -28.8 -44.0 -73.5 -55.6 807 226 C E T 3<5S- 0 0 124 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.337 118.3-113.5 -95.6 4.8 -46.9 -75.5 -57.0 808 227 C G T < 5S+ 0 0 23 -3,-2.3 2,-0.3 -5,-0.2 -3,-0.2 0.905 73.2 132.4 65.5 42.9 -48.0 -76.8 -53.6 809 228 C D >>< + 0 0 62 -5,-3.4 4,-1.2 1,-0.2 3,-0.8 -0.657 18.1 163.4-125.7 75.0 -47.2 -80.5 -54.3 810 229 C I H 3> + 0 0 28 -2,-0.3 4,-2.7 -589,-0.2 3,-0.5 0.901 66.4 71.4 -58.1 -44.6 -45.3 -81.7 -51.2 811 230 C Q H 3> S+ 0 0 117 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.811 106.8 35.6 -42.6 -43.4 -45.8 -85.3 -52.0 812 231 C T H <> S+ 0 0 58 -3,-0.8 4,-2.3 2,-0.2 -1,-0.3 0.754 110.3 62.3 -85.7 -25.6 -43.4 -85.2 -55.0 813 232 C A H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.5 -2,-0.2 0.916 108.1 45.6 -63.5 -40.0 -41.0 -82.7 -53.3 814 233 C Q H X S+ 0 0 45 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.944 108.7 53.5 -67.2 -49.2 -40.4 -85.4 -50.7 815 234 C K H X S+ 0 0 103 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.900 112.0 47.0 -52.7 -43.0 -40.0 -88.2 -53.2 816 235 C L H X S+ 0 0 48 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.944 112.2 48.7 -64.4 -48.1 -37.3 -86.1 -54.9 817 236 C Q H X S+ 0 0 14 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.929 109.8 52.7 -57.7 -46.2 -35.6 -85.2 -51.6 818 237 C T H X S+ 0 0 38 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.917 110.7 48.1 -55.5 -44.5 -35.6 -88.9 -50.7 819 238 C E H X S+ 0 0 52 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.948 110.1 50.9 -61.1 -50.4 -34.0 -89.7 -54.0 820 239 C C H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.907 111.2 49.1 -53.7 -44.9 -31.4 -87.0 -53.5 821 240 C N H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.838 102.1 60.2 -66.8 -33.6 -30.6 -88.4 -50.0 822 241 C K H X S+ 0 0 95 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.906 111.9 43.2 -58.1 -38.7 -30.3 -92.0 -51.3 823 242 C V H X S+ 0 0 5 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.941 112.6 49.8 -69.8 -51.8 -27.5 -90.5 -53.4 824 243 C I H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.848 104.7 59.1 -58.3 -37.5 -25.9 -88.4 -50.7 825 244 C D H X S+ 0 0 30 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.957 111.3 42.5 -55.4 -49.6 -25.9 -91.4 -48.4 826 245 C L H X S+ 0 0 10 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.946 111.9 52.3 -61.9 -51.7 -23.7 -93.1 -51.0 827 246 C L H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 8,-0.2 0.831 107.2 54.7 -56.0 -33.1 -21.6 -90.0 -51.7 828 247 C I H < S+ 0 0 87 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.930 108.0 48.4 -67.5 -43.9 -20.9 -89.7 -47.9 829 248 C K H < S+ 0 0 152 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 119.9 38.7 -61.6 -38.9 -19.7 -93.3 -47.7 830 249 C T H < S- 0 0 6 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.660 126.7 -88.2 -88.4 -17.6 -17.4 -92.8 -50.7 831 250 C G X - 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