==== 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 21-JUL-09 2WNZ . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.CAMPEOTTO,A.H.BOLT,T.A.HARMAN,C.H.TRINH,C.A.DENNIS,S.E.V.P . 1188 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 901 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 12.0 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 . 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 . 77 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 493 41.5 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 1 0 4 4 0 4 4 0 6 5 9 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 10 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 1 3 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 H >> 0 0 135 0, 0.0 3,-1.8 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 120.4 -25.2 -0.9 31.8 2 -3 A H H 3> + 0 0 135 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.784 360.0 64.6 -60.2 -32.6 -25.2 2.0 34.4 3 -2 A H H 3> S+ 0 0 86 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.837 103.4 50.7 -57.1 -32.0 -22.5 0.3 36.6 4 -1 A H H X4 S+ 0 0 3 -3,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.920 109.1 49.9 -70.7 -44.6 -20.2 0.8 33.5 5 0 A H H >< S+ 0 0 83 -4,-1.2 3,-1.4 1,-0.2 -2,-0.2 0.888 107.8 53.9 -56.7 -42.2 -21.1 4.5 33.2 6 1 A H H 3< S+ 0 0 134 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.695 105.4 54.2 -71.5 -18.4 -20.5 5.0 37.0 7 2 A A T X< S+ 0 0 1 -3,-0.7 3,-2.7 -4,-0.6 4,-0.3 0.344 71.8 111.7 -96.1 6.2 -16.9 3.5 36.7 8 3 A T G X + 0 0 61 -3,-1.4 3,-1.8 1,-0.3 -1,-0.2 0.823 68.2 65.3 -48.2 -38.0 -15.9 5.9 33.9 9 4 A N G 3 S+ 0 0 86 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.590 89.9 66.6 -65.1 -10.8 -13.4 7.7 36.2 10 5 A L G < S+ 0 0 8 -3,-2.7 -1,-0.3 157,-0.1 -2,-0.2 0.528 71.9 117.8 -87.7 -7.7 -11.3 4.4 36.5 11 6 A R < + 0 0 122 -3,-1.8 2,-0.3 -4,-0.3 198,-0.1 -0.364 50.0 69.4 -59.8 133.6 -10.2 4.6 32.8 12 7 A G 0 0 11 -2,-0.1 198,-1.9 196,-0.1 196,-0.1 -0.952 360.0 360.0 154.1-169.7 -6.5 4.9 32.5 13 8 A V 0 0 10 -2,-0.3 32,-1.9 196,-0.2 33,-0.8 -0.921 360.0 360.0-105.3 360.0 -2.9 3.6 32.8 14 ! 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 15 10 A A 0 0 3 0, 0.0 33,-3.1 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0 133.9 0.9 0.6 37.5 16 11 A A B -a 48 0A 1 196,-2.5 200,-0.2 31,-0.2 33,-0.2 -0.788 360.0-128.6 -79.0 100.1 0.6 -2.9 39.1 17 12 A L - 0 0 1 31,-2.0 33,-0.4 -2,-1.1 34,-0.3 -0.272 13.6-137.2 -64.0 131.8 2.5 -1.9 42.2 18 13 A L - 0 0 0 195,-0.1 36,-0.2 36,-0.1 -1,-0.1 -0.513 14.8-128.1 -75.6 153.8 5.5 -4.1 43.3 19 14 A T - 0 0 1 34,-0.5 242,-0.0 -2,-0.2 2,-0.0 -0.907 21.9-143.6-103.6 105.2 5.9 -4.9 47.1 20 15 A P - 0 0 1 0, 0.0 8,-1.8 0, 0.0 2,-0.3 -0.373 17.2-164.2 -62.0 142.8 9.4 -4.0 48.3 21 16 A F B -H 27 0B 1 251,-0.7 253,-0.4 253,-0.4 251,-0.4 -0.930 11.6-129.9-125.1 154.8 10.9 -6.3 50.9 22 17 A D > - 0 0 43 4,-2.8 3,-2.0 -2,-0.3 6,-0.1 -0.198 47.0 -78.5 -88.0-174.3 13.9 -6.0 53.2 23 18 A Q T 3 S+ 0 0 123 1,-0.3 -1,-0.0 2,-0.1 5,-0.0 0.720 132.8 49.4 -62.5 -24.1 16.8 -8.4 53.7 24 19 A Q T 3 S- 0 0 149 2,-0.1 -1,-0.3 3,-0.1 3,-0.1 0.180 119.7-108.4 -99.0 15.7 14.7 -10.7 55.9 25 20 A Q S < S+ 0 0 42 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.721 77.3 131.9 64.9 24.4 11.8 -10.7 53.4 26 21 A A S S- 0 0 42 1,-0.1 -4,-2.8 250,-0.0 -1,-0.3 -0.654 72.5 -73.2 -94.1 161.6 9.6 -8.5 55.5 27 22 A L B -H 21 0B 27 -2,-0.2 2,-0.9 -6,-0.2 -6,-0.2 -0.303 38.3-145.5 -52.7 128.2 7.8 -5.5 54.1 28 23 A D > - 0 0 22 -8,-1.8 4,-2.0 1,-0.2 5,-0.1 -0.871 19.4-176.0 -96.9 95.5 10.2 -2.6 53.5 29 24 A K H > S+ 0 0 86 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.867 77.2 53.3 -65.1 -40.4 7.9 0.3 54.3 30 25 A A H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 111.0 46.9 -64.7 -39.1 10.2 3.1 53.4 31 26 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.873 108.3 55.6 -69.8 -38.3 10.8 1.6 49.9 32 27 A L H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.934 109.5 47.2 -57.3 -47.0 7.0 1.1 49.4 33 28 A R H X S+ 0 0 75 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.920 112.1 49.6 -62.8 -43.5 6.5 4.8 50.1 34 29 A R H X S+ 0 0 91 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.904 110.7 51.0 -59.0 -42.2 9.3 5.8 47.7 35 30 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 234,-0.2 -2,-0.2 0.900 107.6 51.7 -65.0 -43.2 7.8 3.5 45.0 36 31 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.922 113.2 44.6 -58.7 -45.3 4.4 5.0 45.3 37 32 A Q H X S+ 0 0 52 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.906 108.8 56.4 -68.5 -40.8 5.8 8.6 44.9 38 33 A F H X S+ 0 0 22 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.874 108.5 48.4 -56.0 -40.5 8.0 7.6 42.0 39 34 A N H ><>S+ 0 0 0 -4,-1.9 5,-1.5 2,-0.2 3,-0.8 0.917 109.9 51.0 -66.4 -46.3 4.9 6.3 40.2 40 35 A I H ><5S+ 0 0 40 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.918 107.8 53.8 -55.0 -44.6 3.0 9.5 40.9 41 36 A Q H 3<5S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.666 99.8 62.0 -68.2 -19.4 5.9 11.5 39.5 42 37 A Q T <<5S- 0 0 13 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.603 118.9-110.0 -76.8 -13.5 5.9 9.5 36.3 43 38 A G T < 5 + 0 0 40 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.705 57.0 168.4 89.0 23.5 2.3 10.8 35.6 44 39 A I < - 0 0 8 -5,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.407 36.6-137.5 -69.9 143.8 0.6 7.5 36.2 45 40 A D S S- 0 0 63 -32,-1.9 35,-2.3 1,-0.2 2,-0.3 0.735 71.0 -36.2 -75.3 -23.6 -3.2 7.7 36.4 46 41 A G E - b 0 80A 12 -33,-0.8 2,-0.4 33,-0.3 35,-0.2 -0.987 58.4 -95.8-179.9 179.4 -3.4 5.3 39.4 47 42 A L E - b 0 81A 2 33,-2.6 35,-3.0 -2,-0.3 2,-0.6 -0.965 10.8-152.1-127.1 141.1 -2.1 2.2 41.2 48 43 A Y E -ab 16 82A 2 -33,-3.1 -31,-2.0 -2,-0.4 3,-0.4 -0.958 30.8-162.1-109.9 109.2 -3.2 -1.5 41.2 49 44 A V E + b 0 83A 0 33,-2.9 35,-3.2 -2,-0.6 -31,-0.1 -0.796 57.7 10.4-109.4 135.8 -2.2 -2.7 44.7 50 45 A G S S+ 0 0 6 -2,-0.4 -1,-0.2 -33,-0.4 36,-0.1 0.752 89.9 132.9 75.6 28.0 -1.8 -6.2 46.0 51 46 A G S >S- 0 0 1 -3,-0.4 5,-1.8 -34,-0.3 6,-0.2 -0.011 79.2 -71.0 -89.8-163.8 -2.1 -7.9 42.5 52 47 A S T > 5S+ 0 0 4 1,-0.2 3,-1.9 2,-0.2 5,-0.2 0.941 136.8 51.2 -53.3 -49.9 0.1 -10.6 40.9 53 48 A T T 3 5S+ 0 0 4 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.798 102.9 59.3 -59.8 -31.9 2.9 -8.1 40.5 54 49 A G T 3 5S- 0 0 0 -36,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.369 112.3-120.3 -77.5 4.6 2.6 -7.1 44.2 55 50 A E T X 5 + 0 0 0 -3,-1.9 3,-1.5 -4,-0.1 -3,-0.2 0.833 55.7 159.7 55.1 38.6 3.4 -10.8 45.1 56 51 A A G > < + 0 0 1 -5,-1.8 3,-1.7 1,-0.3 -4,-0.1 0.803 62.8 63.1 -55.0 -36.3 0.0 -11.0 46.9 57 52 A F G 3 S+ 0 0 23 1,-0.3 924,-0.3 -6,-0.2 923,-0.3 0.493 103.4 48.2 -83.6 0.3 -0.1 -14.8 46.8 58 53 A V G < S+ 0 0 0 -3,-1.5 2,-0.3 922,-0.1 -1,-0.3 0.031 103.5 80.0-114.0 23.5 3.1 -15.1 49.0 59 54 A Q S < S- 0 0 13 -3,-1.7 2,-0.1 217,-0.0 922,-0.1 -0.912 77.8-120.9-122.0 154.0 1.7 -12.6 51.6 60 55 A S > - 0 0 43 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.401 34.0-104.0 -79.9 168.2 -0.7 -13.1 54.4 61 56 A L H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 122.7 53.1 -56.8 -44.0 -4.0 -11.1 54.6 62 57 A S H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 109.2 48.1 -62.7 -42.8 -2.4 -8.9 57.4 63 58 A E H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 110.9 51.1 -62.0 -43.3 0.6 -8.1 55.2 64 59 A R H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.911 109.7 50.3 -62.4 -41.8 -1.7 -7.3 52.2 65 60 A E H X S+ 0 0 29 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.878 107.2 54.0 -61.9 -41.5 -3.8 -4.9 54.4 66 61 A Q H X S+ 0 0 61 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.917 110.3 46.8 -59.6 -45.7 -0.6 -3.1 55.7 67 62 A V H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.937 112.7 50.0 -60.5 -47.2 0.5 -2.4 52.1 68 63 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 111.8 48.3 -56.8 -45.3 -3.0 -1.3 51.2 69 64 A E H X S+ 0 0 85 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.937 112.4 47.5 -63.8 -48.4 -3.1 1.1 54.2 70 65 A I H X S+ 0 0 9 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.917 110.6 51.6 -61.3 -43.1 0.3 2.6 53.5 71 66 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.905 109.6 50.4 -63.5 -40.2 -0.5 3.1 49.8 72 67 A A H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.899 108.5 52.3 -60.8 -43.4 -3.7 5.0 50.8 73 68 A E H < S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 117.7 38.8 -57.4 -44.1 -1.8 7.2 53.2 74 69 A E H < S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.836 133.4 16.0 -74.4 -36.7 0.6 8.1 50.4 75 70 A A H >X S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.2 4,-1.5 0.537 76.3 129.8-125.1 -12.9 -1.7 8.4 47.4 76 71 A K T 3< S+ 0 0 119 -4,-2.3 4,-0.1 -5,-0.3 29,-0.1 -0.265 88.2 8.6 -56.6 132.2 -5.4 8.7 48.3 77 72 A G T 34 S+ 0 0 79 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.214 119.2 75.2 84.1 -14.1 -6.9 11.6 46.4 78 73 A K T <4 S- 0 0 135 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.806 110.6 -2.0 -97.2 -39.8 -3.8 12.2 44.3 79 74 A I S < S- 0 0 23 -4,-1.5 -2,-0.4 -32,-0.0 -1,-0.4 -0.936 89.8 -82.4-143.6 165.3 -4.2 9.2 41.9 80 75 A K E -b 46 0A 74 -35,-2.3 -33,-2.6 -2,-0.3 2,-0.4 -0.420 40.9-155.5 -72.8 146.2 -6.8 6.4 41.5 81 76 A L E -b 47 0A 0 -35,-0.2 25,-1.9 23,-0.1 26,-1.4 -0.986 10.1-172.6-129.9 121.2 -6.3 3.3 43.8 82 77 A I E -bc 48 107A 11 -35,-3.0 -33,-2.9 -2,-0.4 2,-0.7 -0.961 14.9-147.7-113.6 128.6 -7.5 -0.1 43.0 83 78 A A E -bc 49 108A 0 24,-2.8 26,-1.7 -2,-0.5 2,-0.9 -0.871 3.3-149.6-100.6 110.6 -7.2 -2.8 45.7 84 79 A H E + c 0 109A 1 -35,-3.2 26,-0.2 -2,-0.7 24,-0.1 -0.746 28.3 164.3 -78.2 112.5 -6.6 -6.3 44.4 85 80 A V + 0 0 0 24,-2.5 11,-0.3 -2,-0.9 12,-0.2 0.273 21.9 137.1-111.5 2.7 -8.3 -8.2 47.2 86 81 A G + 0 0 0 23,-0.8 2,-0.3 10,-0.1 4,-0.1 -0.313 17.8 158.4 -67.9 133.4 -8.6 -11.6 45.5 87 82 A C - 0 0 6 2,-0.3 863,-0.1 24,-0.2 6,-0.1 -0.834 54.9-106.6-131.1 174.3 -7.8 -14.9 47.2 88 83 A V S S+ 0 0 11 861,-0.3 2,-0.3 -2,-0.3 862,-0.1 0.933 106.9 71.5 -63.3 -46.2 -8.9 -18.4 46.5 89 84 A S S > S- 0 0 2 860,-0.3 4,-1.8 1,-0.1 -2,-0.3 -0.533 73.8-150.3 -73.0 134.1 -11.1 -18.1 49.5 90 85 A T H > S+ 0 0 4 1079,-1.3 4,-2.5 -2,-0.3 5,-0.2 0.951 98.1 53.8 -65.5 -47.8 -14.2 -15.9 49.2 91 86 A A H > S+ 0 0 54 1078,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.882 109.5 46.8 -54.9 -44.9 -14.2 -15.1 52.9 92 87 A E H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 110.9 52.5 -64.1 -43.1 -10.5 -13.9 52.8 93 88 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.884 108.0 52.5 -58.6 -39.2 -11.3 -11.9 49.6 94 89 A Q H X S+ 0 0 56 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.883 105.0 54.5 -66.0 -39.7 -14.2 -10.2 51.5 95 90 A Q H X S+ 0 0 87 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.928 110.9 45.5 -58.3 -46.7 -12.0 -9.2 54.5 96 91 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 -11,-0.3 -2,-0.2 0.878 111.6 52.0 -67.4 -37.3 -9.6 -7.5 52.1 97 92 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 109.6 49.9 -62.0 -46.1 -12.4 -5.8 50.3 98 93 A A H X S+ 0 0 33 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.913 112.6 47.6 -56.7 -45.3 -13.8 -4.5 53.6 99 94 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 108.0 54.5 -64.1 -45.8 -10.3 -3.2 54.5 100 95 A A H X>S+ 0 0 0 -4,-3.0 5,-2.3 2,-0.2 4,-0.6 0.903 109.7 48.6 -51.3 -45.0 -9.9 -1.5 51.1 101 96 A K H ><5S+ 0 0 82 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.978 110.4 50.8 -59.5 -54.0 -13.2 0.3 51.8 102 97 A R H 3<5S+ 0 0 161 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.854 109.9 50.1 -52.3 -39.9 -12.0 1.3 55.2 103 98 A Y H 3<5S- 0 0 41 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.524 118.8-109.5 -81.3 -5.6 -8.8 2.7 53.8 104 99 A G T <<5 + 0 0 15 -3,-1.9 -3,-0.2 -4,-0.6 -2,-0.1 0.844 53.0 170.3 83.9 35.3 -10.6 4.8 51.1 105 100 A F < - 0 0 7 -5,-2.3 -1,-0.2 1,-0.1 -23,-0.1 -0.398 35.6-136.1 -72.4 156.8 -9.7 2.9 47.9 106 101 A D S S- 0 0 52 -25,-1.9 2,-0.3 1,-0.2 -24,-0.2 0.746 79.3 -1.5 -84.7 -24.8 -11.5 3.8 44.7 107 102 A A E -c 82 0A 0 -26,-1.4 -24,-2.8 30,-0.2 2,-0.3 -0.987 58.4-135.7-157.8 160.8 -12.1 0.2 43.6 108 103 A V E -cd 83 139A 0 30,-2.5 32,-2.4 -2,-0.3 2,-0.3 -0.790 17.9-170.6-116.0 167.4 -11.6 -3.4 44.4 109 104 A S E -cd 84 140A 0 -26,-1.7 -24,-2.5 -2,-0.3 -23,-0.8 -0.978 3.7-165.5-154.3 145.2 -10.5 -6.2 42.0 110 105 A A E - d 0 141A 0 30,-1.3 32,-1.7 -2,-0.3 -26,-0.0 -0.972 19.6-130.1-142.1 129.1 -10.3 -10.0 42.3 111 106 A V E - d 0 142A 0 -2,-0.4 32,-0.2 30,-0.2 -24,-0.2 -0.347 48.4 -89.6 -61.8 148.7 -8.5 -12.7 40.2 112 107 A T - 0 0 0 30,-1.3 38,-0.1 1,-0.1 -1,-0.1 -0.522 60.0 -99.0 -60.1 125.2 -10.8 -15.5 39.2 113 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.284 54.1-161.1 -61.4 139.4 -10.2 -17.9 42.1 114 109 A F + 0 0 10 3,-0.1 2,-2.2 -3,-0.1 35,-0.1 -0.226 48.6 44.3-118.7-171.4 -7.7 -20.6 41.2 115 110 A Y S S+ 0 0 13 33,-0.5 926,-0.1 924,-0.2 -1,-0.1 -0.429 102.4 63.0 68.9 -69.7 -6.2 -24.0 42.0 116 111 A Y S S- 0 0 6 -2,-2.2 2,-0.3 1,-0.1 923,-0.0 -0.688 94.8-113.3 -83.1 136.4 -9.5 -25.8 42.5 117 112 A P - 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0 0 17 -2,-1.5 22,-0.3 -29,-0.1 21,-0.2 -0.993 63.3-145.1-144.7 144.3 -4.8 -42.7 25.1 471 169 B G S S+ 0 0 27 -2,-0.3 2,-1.2 20,-0.1 597,-0.4 0.364 70.3 109.7 -90.0 3.0 -3.1 -42.9 28.5 472 170 B D > + 0 0 70 1,-0.2 4,-1.5 595,-0.1 595,-0.1 -0.670 41.7 177.3 -80.8 95.4 -6.3 -42.1 30.4 473 171 B L H > S+ 0 0 3 -2,-1.2 4,-1.4 593,-0.4 -1,-0.2 0.544 74.7 65.1 -85.8 -4.9 -7.0 -45.4 32.1 474 172 B Y H > S+ 0 0 27 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.936 106.8 44.4 -66.2 -52.3 -10.1 -44.0 33.9 475 173 B Q H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.873 108.2 57.2 -61.9 -38.7 -11.7 -43.6 30.5 476 174 B M H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.939 111.2 44.0 -54.5 -46.9 -10.5 -47.0 29.4 477 175 B E H X S+ 0 0 9 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.902 111.8 52.4 -67.0 -42.5 -12.4 -48.5 32.4 478 176 B Q H X S+ 0 0 27 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.883 109.4 50.0 -58.1 -42.9 -15.4 -46.3 31.7 479 177 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.947 111.9 47.3 -62.7 -49.2 -15.5 -47.5 28.1 480 178 B R H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 112.7 50.0 -57.6 -43.7 -15.3 -51.2 29.1 481 179 B R H < S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.0 44.3 -64.7 -39.4 -18.0 -50.6 31.8 482 180 B E H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 125.7 32.0 -71.3 -36.2 -20.3 -49.0 29.2 483 181 B H >< + 0 0 25 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 -0.763 65.9 177.6-126.6 81.6 -19.7 -51.6 26.5 484 182 B P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.789 83.9 39.8 -60.5 -27.6 -19.0 -55.0 28.0 485 183 B D T 3 S+ 0 0 136 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.467 85.7 121.1-100.4 -3.3 -18.7 -56.8 24.7 486 184 B L < - 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