==== 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 11-JAN-10 3LCG . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-Y.CHOU,A.H.-J.WANG,T.-P.KO . 1178 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 897 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 12.9 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 . 82 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 486 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.4 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 4 4 0 7 8 5 4 0 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 0 137 0, 0.0 71,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.1 4.9 11.3 34.2 2 5 A L + 0 0 22 157,-0.2 2,-0.1 2,-0.0 35,-0.0 0.453 360.0 116.3 -97.9 -2.0 5.4 14.7 32.5 3 6 A R + 0 0 95 198,-0.1 2,-0.3 2,-0.0 198,-0.1 -0.418 49.4 70.9 -68.4 140.1 7.2 16.4 35.4 4 7 A G S S- 0 0 10 196,-0.2 198,-2.5 -2,-0.1 2,-0.7 -0.948 83.1 -52.4 152.2-172.1 10.8 17.4 34.6 5 8 A V E +a 202 0A 2 -2,-0.3 32,-2.0 196,-0.2 33,-0.7 -0.918 54.3 175.4-107.8 108.0 13.3 19.6 32.8 6 9 A M E -ab 203 38A 0 196,-2.8 198,-1.4 -2,-0.7 2,-0.2 -0.954 26.3-126.1-123.5 134.0 12.7 19.6 29.1 7 10 A A E -ab 204 39A 0 31,-1.6 33,-2.6 -2,-0.4 2,-0.9 -0.526 16.7-129.6 -78.2 136.7 14.4 21.5 26.4 8 11 A A E - b 0 40A 2 196,-2.1 200,-0.2 -2,-0.2 33,-0.2 -0.781 40.3-127.5 -82.7 110.9 12.4 23.7 23.9 9 12 A L - 0 0 4 31,-2.1 33,-0.3 -2,-0.9 34,-0.3 -0.342 13.9-141.2 -70.3 139.5 13.9 22.4 20.7 10 13 A L - 0 0 1 36,-0.1 36,-0.2 195,-0.1 35,-0.1 -0.581 15.1-128.6 -91.2 158.3 15.4 24.6 18.0 11 14 A T - 0 0 3 34,-0.5 2,-0.1 -2,-0.2 13,-0.1 -0.917 21.1-142.1-112.2 106.8 14.8 23.8 14.3 12 15 A P - 0 0 0 0, 0.0 8,-2.5 0, 0.0 2,-0.3 -0.433 20.2-170.2 -69.1 139.7 18.1 23.8 12.3 13 16 A F B -I 19 0B 1 251,-0.6 253,-0.4 253,-0.4 251,-0.3 -0.869 15.9-125.1-125.5 160.2 18.0 25.2 8.8 14 17 A D > - 0 0 47 4,-2.7 3,-2.2 -2,-0.3 6,-0.1 -0.306 46.2 -80.9 -94.1-175.9 20.4 25.2 5.9 15 18 A Q T 3 S+ 0 0 119 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.725 132.1 52.2 -58.8 -22.7 21.8 28.2 4.0 16 19 A Q T 3 S- 0 0 153 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.132 120.4-108.0-100.6 19.2 18.7 28.4 1.9 17 20 A Q S < S+ 0 0 42 -3,-2.2 2,-0.2 1,-0.2 -2,-0.1 0.592 76.4 132.8 67.1 14.4 16.4 28.4 5.0 18 21 A A - 0 0 42 1,-0.1 -4,-2.7 250,-0.0 -1,-0.2 -0.597 69.8 -79.3 -92.9 157.7 15.2 24.8 4.5 19 22 A L B -I 13 0B 28 -6,-0.2 2,-0.9 -2,-0.2 -6,-0.3 -0.292 35.4-146.2 -55.7 132.5 15.0 22.2 7.2 20 23 A D > - 0 0 24 -8,-2.5 4,-1.9 1,-0.2 3,-0.2 -0.832 17.2-174.5-103.0 90.5 18.5 20.7 7.9 21 24 A K H > S+ 0 0 93 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.873 78.8 53.1 -54.6 -45.2 17.4 17.1 8.8 22 25 A A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 111.2 46.3 -61.4 -40.4 20.8 15.9 9.8 23 26 A S H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.831 109.9 54.8 -71.8 -31.2 21.4 18.8 12.2 24 27 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.950 110.5 45.5 -65.4 -47.0 17.9 18.3 13.6 25 28 A R H X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 112.6 51.3 -61.7 -43.3 18.7 14.6 14.4 26 29 A R H X S+ 0 0 99 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.881 109.2 50.3 -61.6 -38.4 22.1 15.6 15.8 27 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.874 109.6 50.9 -68.6 -37.0 20.4 18.2 18.1 28 31 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.949 113.5 44.5 -64.5 -47.4 17.9 15.6 19.4 29 32 A Q H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.879 110.1 56.0 -64.0 -37.8 20.7 13.2 20.1 30 33 A F H X S+ 0 0 57 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.923 109.1 46.7 -59.8 -45.8 22.8 15.9 21.7 31 34 A N H <>S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 3,-0.3 0.912 112.1 49.9 -63.2 -44.0 20.0 16.7 24.1 32 35 A I H ><5S+ 0 0 31 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.915 108.7 53.8 -61.3 -42.2 19.4 13.1 25.0 33 36 A Q H 3<5S+ 0 0 162 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 103.0 55.9 -64.5 -29.4 23.2 12.6 25.6 34 37 A Q T 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.355 121.7-103.6 -87.0 8.7 23.3 15.5 28.1 35 38 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.741 56.7 169.5 81.9 26.0 20.5 13.9 30.2 36 39 A I < - 0 0 7 -5,-1.8 -1,-0.2 1,-0.1 -30,-0.2 -0.397 34.1-138.3 -70.0 146.9 17.5 16.0 29.3 37 40 A D S S- 0 0 63 -32,-2.0 35,-2.1 1,-0.2 2,-0.3 0.798 71.1 -36.8 -76.2 -29.3 14.1 14.6 30.6 38 41 A G E -bc 6 72A 0 -33,-0.7 -31,-1.6 33,-0.2 2,-0.4 -0.979 57.6-100.7-175.2-178.9 12.3 15.4 27.4 39 42 A L E -bc 7 73A 0 33,-2.3 35,-2.9 -2,-0.3 2,-0.7 -0.975 10.7-150.5-128.8 140.2 11.8 17.7 24.4 40 43 A Y E -bc 8 74A 4 -33,-2.6 -31,-2.1 -2,-0.4 2,-0.4 -0.948 31.6-164.4-106.8 111.1 9.1 20.4 23.7 41 44 A V E + c 0 75A 1 33,-3.1 35,-3.7 -2,-0.7 -31,-0.1 -0.825 54.6 15.8-109.7 138.2 8.8 20.4 19.9 42 45 A G S S+ 0 0 6 -2,-0.4 -1,-0.2 -33,-0.3 33,-0.1 0.701 88.6 126.0 83.1 19.8 7.3 22.9 17.5 43 46 A G S > >S- 0 0 2 -3,-0.3 5,-1.6 -34,-0.3 3,-0.7 -0.047 82.8 -67.2 -92.6-161.6 7.0 25.8 19.9 44 47 A S G > 5S+ 0 0 6 1,-0.2 3,-1.9 2,-0.2 5,-0.2 0.922 134.0 54.0 -53.1 -48.4 8.2 29.4 19.7 45 48 A T G 3 5S+ 0 0 13 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.737 100.4 58.9 -60.6 -28.3 11.8 28.2 19.9 46 49 A G G < 5S- 0 0 0 -3,-0.7 -1,-0.3 -36,-0.2 -2,-0.2 0.384 112.4-119.7 -83.6 6.1 11.3 25.8 17.0 47 50 A E T X 5 + 0 0 0 -3,-1.9 3,-1.8 -4,-0.2 -3,-0.2 0.812 58.1 157.8 58.6 34.1 10.4 28.8 14.9 48 51 A A G > < + 0 0 1 -5,-1.6 3,-1.6 1,-0.3 -4,-0.1 0.810 62.4 62.8 -57.6 -33.3 7.0 27.2 14.3 49 52 A F G 3 S+ 0 0 27 1,-0.3 920,-0.3 -5,-0.2 -1,-0.3 0.467 103.5 47.6 -78.5 1.2 5.3 30.5 13.4 50 53 A V G < S+ 0 0 0 -3,-1.8 2,-0.3 918,-0.1 -1,-0.3 -0.023 104.6 81.7-122.6 24.4 7.5 31.0 10.4 51 54 A Q S < S- 0 0 16 -3,-1.6 2,-0.1 217,-0.0 918,-0.1 -0.904 78.0-119.7-125.7 156.4 6.9 27.4 9.2 52 55 A S > - 0 0 35 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.401 34.4-104.2 -87.1 169.9 4.0 25.8 7.3 53 56 A L H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.923 122.5 50.7 -61.3 -45.4 1.9 23.0 8.8 54 57 A S H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 109.6 51.4 -61.3 -36.7 3.6 20.4 6.7 55 58 A E H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 109.6 49.1 -67.5 -40.3 7.0 21.7 7.8 56 59 A R H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.898 111.1 50.5 -65.6 -38.7 6.0 21.5 11.4 57 60 A E H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.893 106.1 55.7 -65.4 -39.2 4.7 17.9 10.9 58 61 A Q H X S+ 0 0 66 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.906 109.4 46.8 -58.7 -43.2 8.0 17.0 9.2 59 62 A V H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.929 111.3 50.6 -65.7 -46.2 9.9 18.1 12.3 60 63 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.926 111.1 49.4 -57.9 -45.5 7.6 16.3 14.7 61 64 A E H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.926 112.1 46.7 -61.4 -46.7 7.9 13.0 12.7 62 65 A I H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.916 111.4 51.2 -63.4 -43.8 11.7 13.2 12.6 63 66 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.916 109.8 50.6 -60.7 -42.0 12.0 14.0 16.3 64 67 A A H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.915 107.8 52.5 -61.6 -43.5 9.8 11.0 17.2 65 68 A E H < S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 116.5 41.5 -58.8 -38.6 11.9 8.7 15.0 66 69 A E H < S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.804 132.4 14.2 -80.2 -33.4 15.0 9.8 16.9 67 70 A A H >X S+ 0 0 0 -4,-2.6 3,-2.4 -5,-0.2 4,-1.6 0.542 77.6 128.7-125.9 -7.6 13.7 10.0 20.5 68 71 A K T 3< S+ 0 0 122 -4,-2.5 4,-0.1 -5,-0.3 29,-0.1 -0.269 87.7 12.8 -54.1 133.8 10.4 8.2 21.0 69 72 A G T 34 S+ 0 0 80 2,-0.4 -1,-0.3 27,-0.2 3,-0.1 0.195 118.9 72.6 85.7 -17.8 10.7 5.8 23.9 70 73 A K T <4 S- 0 0 127 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.836 110.5 -0.4 -95.2 -42.6 14.0 7.3 25.1 71 74 A I S < S- 0 0 21 -4,-1.6 -2,-0.4 -32,-0.0 -1,-0.3 -0.926 89.3 -81.3-141.9 164.7 12.8 10.6 26.5 72 75 A K E -c 38 0A 76 -35,-2.1 -33,-2.3 -2,-0.3 2,-0.5 -0.421 41.8-154.9 -69.8 144.0 9.4 12.3 26.9 73 76 A L E -c 39 0A 0 -35,-0.2 25,-2.2 23,-0.1 26,-1.3 -0.976 11.8-174.9-127.8 121.5 8.1 14.1 23.9 74 77 A I E -cd 40 99A 0 -35,-2.9 -33,-3.1 -2,-0.5 2,-0.6 -0.963 13.4-152.1-114.7 125.4 5.6 17.0 23.9 75 78 A A E -cd 41 100A 0 24,-2.8 26,-1.9 -2,-0.5 2,-0.9 -0.860 5.3-148.5-100.5 117.0 4.4 18.4 20.6 76 79 A H E + d 0 101A 1 -35,-3.7 26,-0.2 -2,-0.6 24,-0.1 -0.764 25.5 168.6 -83.6 112.4 3.3 22.0 20.5 77 80 A V + 0 0 0 24,-2.7 11,-0.3 -2,-0.9 12,-0.2 0.316 23.1 140.0-106.1 5.8 0.6 21.9 17.9 78 81 A G + 0 0 0 23,-0.8 2,-0.3 10,-0.1 24,-0.1 -0.240 16.1 157.0 -61.9 134.5 -0.7 25.4 18.5 79 82 A C - 0 0 6 2,-0.3 6,-0.1 24,-0.2 859,-0.1 -0.874 54.9-109.0-141.2 169.0 -1.8 27.7 15.7 80 83 A V S S+ 0 0 12 -2,-0.3 2,-0.2 857,-0.3 858,-0.1 0.941 105.9 72.2 -67.8 -42.2 -4.2 30.7 15.6 81 84 A S S > S- 0 0 4 856,-0.3 4,-1.7 1,-0.1 -2,-0.3 -0.490 73.3-151.0 -74.8 135.6 -6.6 28.4 13.7 82 85 A T H > S+ 0 0 4 1075,-1.3 4,-2.5 -2,-0.2 5,-0.2 0.935 97.6 53.1 -69.9 -46.0 -8.3 25.6 15.6 83 86 A A H > S+ 0 0 59 1074,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.883 110.0 47.4 -57.0 -42.2 -8.5 23.4 12.5 84 87 A E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 110.9 51.8 -66.8 -41.4 -4.8 23.6 11.9 85 88 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.890 108.3 52.6 -61.2 -39.4 -4.0 23.0 15.5 86 89 A Q H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.884 105.4 54.0 -64.0 -40.2 -6.2 19.8 15.3 87 90 A Q H X S+ 0 0 88 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.938 111.1 45.1 -60.1 -47.3 -4.4 18.5 12.3 88 91 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -11,-0.3 -1,-0.2 0.872 111.3 53.7 -65.2 -36.0 -1.0 18.8 14.1 89 92 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.919 108.5 48.8 -64.6 -42.8 -2.5 17.2 17.2 90 93 A A H X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.878 112.7 48.7 -64.4 -36.7 -3.7 14.2 15.2 91 94 A S H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.904 106.5 55.6 -69.4 -40.7 -0.3 13.9 13.6 92 95 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.5 0.883 108.8 49.1 -58.0 -39.1 1.4 14.1 17.0 93 96 A K H ><5S+ 0 0 82 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.942 109.8 50.9 -65.3 -47.9 -0.8 11.2 18.1 94 97 A R H 3<5S+ 0 0 159 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.871 109.8 49.9 -58.1 -38.8 0.2 9.2 14.9 95 98 A Y T 3<5S- 0 0 32 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.531 118.0-111.0 -80.1 -5.9 3.9 9.8 15.5 96 99 A G T < 5 + 0 0 26 -3,-1.3 -3,-0.2 -4,-0.5 -27,-0.2 0.790 52.5 168.0 86.0 28.0 3.7 8.6 19.1 97 100 A F < - 0 0 5 -5,-2.5 -23,-0.2 1,-0.1 -1,-0.1 -0.305 37.7-132.3 -69.7 161.4 4.2 11.8 21.2 98 101 A D S S- 0 0 62 -25,-2.2 2,-0.3 1,-0.2 -24,-0.2 0.699 79.7 -7.7 -87.2 -21.6 3.5 11.7 24.9 99 102 A A E -d 74 0A 0 -26,-1.3 -24,-2.8 30,-0.2 2,-0.3 -0.982 60.1-130.8-165.5 165.7 1.5 14.9 25.0 100 103 A V E -de 75 131A 0 30,-2.5 32,-2.0 -2,-0.3 2,-0.3 -0.791 17.8-166.2-120.8 166.1 0.4 18.0 23.0 101 104 A S E -de 76 132A 0 -26,-1.9 -24,-2.7 -2,-0.3 -23,-0.8 -0.984 2.9-165.4-150.5 154.5 0.5 21.6 23.8 102 105 A A E - e 0 133A 0 30,-1.3 32,-1.5 -2,-0.3 2,-0.1 -0.955 17.3-134.8-150.8 128.5 -1.0 24.8 22.4 103 106 A V E - e 0 134A 0 -2,-0.3 -24,-0.2 30,-0.2 32,-0.2 -0.469 49.0 -88.1 -73.7 149.5 -0.3 28.5 22.9 104 107 A T - 0 0 0 30,-1.2 -1,-0.1 -2,-0.1 38,-0.1 -0.425 57.9 -98.5 -57.5 127.7 -3.4 30.7 23.4 105 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.239 54.9-161.9 -52.9 137.0 -4.5 31.6 19.9 106 109 A F + 0 0 12 -3,-0.1 2,-2.2 3,-0.1 35,-0.1 -0.401 48.5 41.5-116.6-171.7 -3.2 35.1 19.1 107 110 A Y S S+ 0 0 16 33,-0.7 922,-0.1 920,-0.2 -1,-0.0 -0.478 103.2 66.0 72.7 -70.4 -3.4 38.3 16.9 108 111 A Y S S- 0 0 6 -2,-2.2 2,-0.4 1,-0.1 919,-0.0 -0.577 95.2-113.6 -79.1 141.1 -7.2 38.3 16.8 109 112 A P - 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0 0 16 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.162 37.1-116.9 117.5 119.7 -18.0 40.4 17.1 1136 251 D L H > S+ 0 0 59 -4,-0.2 4,-2.2 2,-0.2 5,-0.2 0.932 104.3 35.0 -54.4 -62.7 -16.8 42.5 14.2 1137 252 D F H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.940 122.8 44.2 -62.7 -47.5 -16.2 40.0 11.3 1138 253 D R H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 112.4 53.1 -67.1 -34.2 -19.1 37.7 12.1 1139 254 D G H X S+ 0 0 0 -4,-2.3 4,-2.3 -8,-0.2 -1,-0.2 0.927 111.2 46.7 -64.9 -43.8 -21.5 40.6 12.7 1140 255 D L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.919 112.7 49.2 -63.3 -44.9 -20.6 42.0 9.3 1141 256 D K H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 9,-0.2 0.888 109.8 52.6 -62.3 -38.1 -21.0 38.6 7.6 1142 257 D T H X S+ 0 0 6 -4,-2.4 4,-2.0 11,-0.2 -2,-0.2 0.926 109.5 47.5 -64.7 -44.2 -24.3 38.2 9.3 1143 258 D V H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.915 112.0 50.9 -62.4 -41.4 -25.6 41.6 8.1 1144 259 D L H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-1.1 0.820 105.8 56.7 -65.8 -29.2 -24.3 40.6 4.6 1145 260 D H H ><5S+ 0 0 68 -4,-1.8 3,-1.6 4,-0.2 -1,-0.2 0.925 107.0 47.6 -67.0 -43.5 -26.2 37.3 4.9 1146 261 D Y H 3<5S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.723 106.0 59.0 -70.1 -19.4 -29.4 39.2 5.5 1147 262 D M T 3<5S- 0 0 14 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.268 119.2-113.7 -90.3 10.8 -28.6 41.4 2.5 1148 263 D D T < 5S+ 0 0 138 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.748 92.5 103.1 63.7 28.9 -28.5 38.2 0.4 1149 264 D V S - 0 0 27 -2,-0.2 3,-2.1 1,-0.1 -1,-0.0 -0.545 62.8 -64.3 -82.3 145.3 -13.3 30.1 11.2 1157 272 D K T 3 S+ 0 0 104 1,-0.4 -1075,-1.3 -2,-0.2 -1074,-0.4 -0.336 119.9 45.5 -60.8 150.0 -12.7 28.6 14.6 1158 273 D P T 3 S+ 0 0 5 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.979 102.4 87.8 -67.7 2.0 -11.6 29.7 17.2 1159 274 D F S < S- 0 0 22 -3,-2.1 -4,-0.1 -1049,-0.1 -1049,-0.1 -0.503 73.4-148.2 -65.2 130.8 -14.1 32.4 16.2 1160 275 D G - 0 0 16 -2,-0.2 -5,-0.2 1,-0.2 -22,-0.1 -0.371 22.3 -86.0 -93.0 176.6 -17.5 31.4 17.6 1161 276 D P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.222 53.5 -83.1 -76.6 172.4 -21.0 32.1 16.1 1162 277 D V - 0 0 21 -24,-0.1 2,-0.2 1,-0.1 -27,-0.1 -0.576 49.6-107.2 -75.9 137.3 -23.0 35.2 16.7 1163 278 D D > - 0 0 80 -29,-0.3 3,-2.4 -2,-0.3 4,-0.4 -0.493 25.2-128.5 -65.8 128.2 -25.0 35.1 20.0 1164 279 D E G > S+ 0 0 147 1,-0.3 3,-1.4 -2,-0.2 -1,-0.1 0.758 102.7 71.6 -48.9 -31.5 -28.7 34.7 19.1 1165 280 D K G 3 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.687 95.3 53.9 -63.0 -17.0 -29.7 37.7 21.2 1166 281 D Y G <> S+ 0 0 43 -3,-2.4 4,-2.1 1,-0.2 3,-0.3 0.574 81.8 89.1 -93.4 -11.0 -28.1 40.0 18.7 1167 282 D L H <> S+ 0 0 37 -3,-1.4 4,-3.1 -4,-0.4 5,-0.3 0.865 81.0 58.2 -57.1 -40.1 -30.0 38.8 15.6 1168 283 D P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.934 111.4 41.6 -57.4 -44.6 -32.9 41.2 16.0 1169 284 D E H > S+ 0 0 92 -3,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.880 115.5 50.1 -69.9 -37.6 -30.6 44.2 15.8 1170 285 D L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.900 112.3 46.7 -68.3 -40.2 -28.5 42.7 13.0 1171 286 D K H X S+ 0 0 119 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.904 113.1 49.3 -67.2 -40.8 -31.6 41.9 10.9 1172 287 D A H X S+ 0 0 60 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.871 110.0 52.2 -65.6 -36.5 -33.0 45.4 11.6 1173 288 D L H X S+ 0 0 9 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.925 107.9 50.7 -65.1 -44.6 -29.7 46.9 10.6 1174 289 D A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.930 111.0 49.2 -58.2 -46.3 -29.6 45.0 7.3 1175 290 D Q H X S+ 0 0 106 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.916 112.3 48.6 -59.6 -44.7 -33.2 46.2 6.5 1176 291 D Q H X S+ 0 0 83 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.943 111.1 48.7 -61.9 -50.4 -32.2 49.8 7.3 1177 292 D L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.876 110.9 50.3 -59.9 -39.1 -29.1 49.8 5.2 1178 293 D M H < S+ 0 0 75 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.891 110.8 49.6 -67.2 -37.4 -30.9 48.3 2.2 1179 294 D Q H < S+ 0 0 145 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.900 113.4 47.9 -64.4 -41.4 -33.6 50.9 2.5 1180 295 D E H < 0 0 84 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 360.0 360.0 -65.9 -47.5 -30.9 53.6 2.6 1181 296 D R < 0 0 104 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.971 360.0 360.0 -76.2 360.0 -28.9 52.3 -0.3