==== 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 13-JUL-09 2WNN . 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 . 1183 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 901 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 489 41.3 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 5 1 2 4 5 1 5 7 6 2 2 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 11 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 1 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 -2 A H > 0 0 119 0, 0.0 4,-0.6 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 -28.4 -22.3 0.4 36.6 2 -1 A H T 4 + 0 0 27 2,-0.2 4,-0.3 1,-0.1 3,-0.3 0.856 360.0 48.2 -76.3 -43.6 -20.1 0.9 33.5 3 0 A H T >4 S+ 0 0 133 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.923 110.2 53.5 -60.9 -43.2 -21.2 4.6 33.3 4 1 A H T 34 S+ 0 0 92 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.773 109.5 47.3 -61.1 -30.1 -20.5 5.0 37.1 5 2 A A T >< S+ 0 0 2 -4,-0.6 3,-2.6 -3,-0.3 -1,-0.2 0.313 72.5 109.6-101.6 9.5 -16.9 3.6 36.8 6 3 A T G X + 0 0 59 -3,-1.1 3,-2.0 -4,-0.3 -1,-0.2 0.796 67.7 71.9 -59.9 -26.9 -15.7 5.7 33.8 7 4 A N G 3 S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.641 87.6 65.4 -57.7 -16.7 -13.4 7.7 36.2 8 5 A L G < S+ 0 0 0 -3,-2.6 2,-0.3 157,-0.1 -1,-0.3 0.531 72.5 117.9 -85.2 -6.4 -11.3 4.5 36.5 9 6 A R < + 0 0 123 -3,-2.0 2,-0.3 -4,-0.2 198,-0.1 -0.467 50.6 73.9 -64.1 121.9 -10.3 4.7 32.8 10 7 A G S S- 0 0 10 -2,-0.3 198,-1.9 2,-0.0 2,-0.4 -0.991 81.8 -58.5 167.6-168.9 -6.4 5.2 32.6 11 8 A V E +a 208 0A 2 -2,-0.3 32,-1.9 196,-0.2 33,-0.4 -0.939 51.6 174.7-109.1 131.8 -2.9 3.9 32.8 12 9 A M E -a 209 0A 1 196,-1.2 198,-1.2 -2,-0.4 33,-0.2 -0.992 26.8-122.4-150.3 123.6 -1.9 2.4 36.2 13 10 A A E -ab 210 45A 0 31,-1.5 33,-3.0 -2,-0.3 2,-0.9 -0.397 16.4-132.6 -72.3 139.8 1.2 0.6 37.6 14 11 A A E - b 0 46A 1 196,-3.1 200,-0.2 31,-0.2 33,-0.2 -0.830 38.4-132.4 -85.4 104.7 1.0 -2.9 39.2 15 12 A L - 0 0 2 31,-1.6 33,-0.4 -2,-0.9 34,-0.3 -0.256 10.1-139.0 -72.8 135.9 3.0 -2.2 42.3 16 13 A L - 0 0 1 195,-0.1 36,-0.2 36,-0.1 -1,-0.1 -0.494 17.2-126.9 -81.3 160.7 5.8 -4.4 43.5 17 14 A T - 0 0 3 34,-0.5 10,-0.1 -2,-0.2 13,-0.0 -0.922 21.5-138.1-112.8 107.3 6.2 -5.2 47.2 18 15 A P - 0 0 1 0, 0.0 8,-2.3 0, 0.0 2,-0.4 -0.322 19.1-163.7 -63.0 141.5 9.7 -4.5 48.5 19 16 A F B -I 25 0B 0 251,-0.7 253,-0.5 253,-0.4 251,-0.3 -0.962 11.1-131.4-128.7 145.4 11.2 -7.0 51.0 20 17 A D > - 0 0 38 4,-3.1 3,-2.6 -2,-0.4 6,-0.1 -0.215 42.7 -85.1 -88.4 179.4 14.1 -6.7 53.3 21 18 A Q T 3 S+ 0 0 131 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 0.595 130.5 54.9 -64.7 -11.5 17.0 -9.2 53.8 22 19 A Q T 3 S- 0 0 151 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.269 118.2-112.6 -99.4 7.1 14.9 -11.2 56.2 23 20 A Q S < S+ 0 0 39 -3,-2.6 -2,-0.1 1,-0.3 3,-0.1 0.360 79.1 126.7 73.0 -0.7 12.1 -11.5 53.5 24 21 A A S S- 0 0 44 1,-0.2 -4,-3.1 -5,-0.1 -1,-0.3 -0.342 75.5 -70.2 -77.1 166.0 9.8 -9.3 55.7 25 22 A L B -I 19 0B 23 -6,-0.2 2,-1.0 -3,-0.1 -6,-0.3 -0.344 36.8-146.1 -60.8 129.2 8.1 -6.2 54.3 26 23 A D > - 0 0 19 -8,-2.3 4,-2.0 1,-0.2 5,-0.1 -0.837 21.1-179.5 -94.7 93.0 10.5 -3.4 53.6 27 24 A K H > S+ 0 0 95 -2,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.795 75.9 54.2 -68.3 -32.7 8.1 -0.5 54.5 28 25 A A H >> S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.973 110.2 43.9 -65.3 -56.0 10.6 2.2 53.7 29 26 A S H 3> S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.839 110.7 58.8 -60.4 -35.6 11.4 1.0 50.2 30 27 A L H 3X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.870 104.5 48.7 -58.0 -41.4 7.6 0.5 49.7 31 28 A R H <>S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.3 5,-1.1 0.890 109.9 53.6 -69.3 -46.9 5.6 5.9 40.6 38 35 A I H ><5S+ 0 0 29 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.839 103.3 57.5 -62.0 -33.0 3.6 9.1 41.3 39 36 A Q T 3<5S+ 0 0 143 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.573 94.1 66.6 -77.9 -11.8 6.3 11.3 39.9 40 37 A Q T < 5S- 0 0 32 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.501 118.1-110.0 -77.7 -7.2 6.1 9.5 36.5 41 38 A G T < 5 + 0 0 43 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.721 54.9 175.6 79.2 23.4 2.6 10.9 36.1 42 39 A I < - 0 0 7 -5,-1.1 -1,-0.2 1,-0.1 -30,-0.2 -0.313 31.9-140.3 -60.0 142.2 1.0 7.5 36.6 43 40 A D S S- 0 0 64 -32,-1.9 35,-1.8 1,-0.2 2,-0.3 0.612 71.2 -30.3 -80.6 -14.6 -2.8 7.7 36.6 44 41 A G E - c 0 78A 0 -33,-0.4 -31,-1.5 33,-0.2 2,-0.4 -0.993 55.9-102.7-178.4 179.0 -3.0 5.1 39.5 45 42 A L E -bc 13 79A 0 33,-2.3 35,-2.8 -2,-0.3 2,-0.7 -0.999 12.0-154.5-130.8 131.3 -1.8 2.1 41.4 46 43 A Y E -bc 14 80A 0 -33,-3.0 -31,-1.6 -2,-0.4 2,-0.4 -0.955 32.7-158.8 -96.4 109.1 -3.2 -1.5 41.2 47 44 A V E + c 0 81A 2 33,-3.1 35,-3.0 -2,-0.7 -31,-0.1 -0.806 56.2 7.9-105.7 135.0 -2.0 -2.6 44.6 48 45 A G S S+ 0 0 8 -2,-0.4 -1,-0.2 -33,-0.4 -32,-0.1 0.763 89.1 131.3 75.8 29.9 -1.5 -6.2 45.8 49 46 A G S >S- 0 0 1 -3,-0.4 5,-2.2 -34,-0.3 6,-0.2 0.034 78.8 -64.4 -88.3-158.0 -2.0 -8.0 42.5 50 47 A S T > 5S+ 0 0 4 1,-0.2 3,-1.7 2,-0.2 5,-0.2 0.928 138.0 46.4 -56.2 -49.4 0.2 -10.7 40.9 51 48 A T T 3 5S+ 0 0 4 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.746 103.8 63.3 -70.8 -23.8 3.1 -8.3 40.5 52 49 A G T 3 5S- 0 0 0 -36,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.338 114.2-120.2 -78.3 6.7 2.6 -7.2 44.1 53 50 A E T X 5 + 0 0 0 -3,-1.7 3,-2.0 1,-0.1 -3,-0.2 0.767 54.9 162.3 60.1 32.3 3.4 -10.8 45.0 54 51 A A G > < + 0 0 0 -5,-2.2 3,-1.3 1,-0.3 -4,-0.1 0.772 64.1 61.1 -47.5 -36.5 -0.1 -11.1 46.6 55 52 A F G 3 S+ 0 0 22 1,-0.3 920,-0.4 -5,-0.2 919,-0.3 0.434 102.9 47.9 -89.5 4.3 -0.0 -14.8 46.6 56 53 A V G < S+ 0 0 0 -3,-2.0 2,-0.3 918,-0.1 -1,-0.3 0.062 100.9 86.2-122.4 22.2 3.0 -15.2 48.9 57 54 A Q S < S- 0 0 14 -3,-1.3 2,-0.1 -4,-0.1 918,-0.1 -0.868 75.4-124.1-113.3 154.3 1.7 -12.7 51.4 58 55 A S > - 0 0 44 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.362 33.5-105.2 -78.9 167.0 -0.6 -13.2 54.3 59 56 A L H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 122.4 51.8 -60.0 -48.2 -3.9 -11.3 54.7 60 57 A S H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 110.4 49.6 -55.4 -43.9 -2.4 -9.1 57.4 61 58 A E H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 111.2 48.2 -62.6 -44.8 0.6 -8.3 55.1 62 59 A R H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.866 112.2 49.7 -61.4 -36.8 -1.7 -7.5 52.2 63 60 A E H X S+ 0 0 29 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.867 109.3 52.1 -68.5 -36.8 -3.8 -5.2 54.5 64 61 A Q H X S+ 0 0 57 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.910 110.3 48.1 -67.1 -42.4 -0.6 -3.5 55.8 65 62 A V H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.934 112.6 48.4 -62.5 -47.6 0.6 -2.8 52.2 66 63 A L H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.808 113.6 48.4 -59.0 -35.9 -2.9 -1.4 51.2 67 64 A E H X S+ 0 0 96 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.964 111.7 46.2 -69.6 -55.0 -2.9 0.7 54.3 68 65 A I H X S+ 0 0 9 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.707 115.1 49.5 -61.9 -26.2 0.7 2.2 53.8 69 66 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.4 0.852 107.9 51.9 -77.5 -39.4 -0.2 2.8 50.2 70 67 A A H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.876 104.2 58.9 -65.8 -36.9 -3.4 4.6 50.9 71 68 A E H < S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.969 117.2 31.8 -47.6 -58.9 -1.6 6.9 53.4 72 69 A E H < S+ 0 0 51 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.884 130.2 29.2 -69.3 -47.7 0.7 8.1 50.6 73 70 A A H >X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.1 3,-1.4 0.677 79.7 116.0-103.7 -21.8 -1.5 8.0 47.5 74 71 A K T 3< S+ 0 0 113 -4,-1.8 2,-0.5 -5,-0.4 4,-0.1 -0.240 90.4 13.9 -51.5 139.0 -5.1 8.6 48.5 75 72 A G T 34 S+ 0 0 79 2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.198 121.6 67.3 86.7 -40.8 -6.3 11.8 47.0 76 73 A K T <4 S+ 0 0 138 -3,-1.4 2,-0.2 -2,-0.5 -2,-0.2 0.915 110.2 1.5 -81.1 -47.4 -3.4 12.1 44.6 77 74 A I S < S- 0 0 22 -4,-1.8 -2,-0.3 -32,-0.0 -33,-0.2 -0.807 88.0 -77.4-135.1 172.2 -3.9 9.1 42.2 78 75 A K E -c 44 0A 62 -35,-1.8 -33,-2.3 -2,-0.2 2,-0.5 -0.515 41.5-153.5 -76.8 146.2 -6.4 6.3 41.6 79 76 A L E -c 45 0A 0 -35,-0.2 25,-1.9 -2,-0.2 26,-1.6 -0.965 12.3-176.4-129.6 110.4 -6.2 3.4 44.0 80 77 A I E -cd 46 105A 0 -35,-2.8 -33,-3.1 -2,-0.5 2,-0.7 -0.943 14.5-150.7-107.4 127.2 -7.3 -0.1 43.0 81 78 A A E -cd 47 106A 0 24,-2.9 26,-1.9 -2,-0.5 2,-1.0 -0.871 3.5-150.8 -98.2 114.9 -7.1 -2.7 45.7 82 79 A H E + d 0 107A 2 -35,-3.0 26,-0.2 -2,-0.7 24,-0.1 -0.790 27.0 165.4 -83.9 109.4 -6.6 -6.2 44.4 83 80 A V + 0 0 0 24,-2.5 11,-0.3 -2,-1.0 25,-0.2 0.377 22.0 136.0-105.4 -2.6 -8.3 -8.2 47.1 84 81 A G + 0 0 0 23,-1.0 2,-0.3 10,-0.1 4,-0.1 -0.253 18.4 159.0 -61.4 129.2 -8.6 -11.6 45.2 85 82 A C - 0 0 6 2,-0.3 859,-0.1 24,-0.1 6,-0.1 -0.812 54.5-107.4-128.8 172.8 -7.8 -14.9 47.0 86 83 A V S S+ 0 0 11 857,-0.3 2,-0.3 -2,-0.3 858,-0.1 0.950 107.2 70.6 -64.8 -47.4 -8.8 -18.4 46.2 87 84 A S S > S- 0 0 1 856,-0.4 4,-1.8 1,-0.1 -2,-0.3 -0.495 74.2-150.4 -70.5 129.0 -11.1 -18.2 49.2 88 85 A T H > S+ 0 0 5 1075,-1.4 4,-2.7 -2,-0.3 5,-0.2 0.920 97.3 54.0 -60.0 -47.5 -14.2 -16.0 48.9 89 86 A A H > S+ 0 0 44 1074,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.902 110.2 46.8 -58.2 -44.1 -14.2 -15.2 52.7 90 87 A E H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 111.0 51.1 -63.3 -43.7 -10.6 -14.0 52.6 91 88 A S H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.897 109.1 52.9 -57.7 -42.6 -11.2 -11.9 49.5 92 89 A Q H X S+ 0 0 56 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.882 105.4 53.4 -60.7 -42.4 -14.2 -10.4 51.4 93 90 A Q H X S+ 0 0 88 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.950 111.4 45.2 -57.1 -50.6 -11.9 -9.5 54.4 94 91 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 -11,-0.3 -1,-0.2 0.845 111.0 54.5 -62.0 -36.2 -9.5 -7.6 52.0 95 92 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.924 108.4 48.2 -60.7 -50.5 -12.5 -5.9 50.3 96 93 A A H X S+ 0 0 36 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.892 113.5 48.2 -56.9 -43.9 -13.8 -4.6 53.6 97 94 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.901 107.4 54.3 -65.9 -45.2 -10.3 -3.3 54.5 98 95 A A H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 4,-0.3 0.886 110.5 48.2 -55.3 -37.7 -9.8 -1.7 51.1 99 96 A K H ><5S+ 0 0 87 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.879 109.3 52.1 -73.6 -38.0 -13.1 0.2 51.7 100 97 A R H 3<5S+ 0 0 162 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.918 109.1 50.2 -60.4 -46.3 -12.0 1.3 55.3 101 98 A Y T 3<5S- 0 0 39 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.483 119.2-114.0 -73.0 -5.7 -8.8 2.7 53.9 102 99 A G T < 5 + 0 0 19 -3,-0.8 -3,-0.2 -4,-0.3 -23,-0.1 0.665 50.1 171.8 85.6 19.8 -10.8 4.6 51.2 103 100 A F < - 0 0 6 -5,-2.2 -23,-0.1 1,-0.1 -1,-0.1 -0.095 35.2-133.1 -54.3 158.4 -9.6 2.9 48.0 104 101 A D S S+ 0 0 54 -25,-1.9 2,-0.3 1,-0.3 -24,-0.2 0.812 80.5 0.0 -87.0 -31.3 -11.5 3.9 44.7 105 102 A A E -d 80 0A 0 -26,-1.6 -24,-2.9 30,-0.2 2,-0.3 -0.967 60.1-139.4-152.0 159.4 -12.0 0.3 43.5 106 103 A V E -de 81 137A 0 30,-2.4 32,-1.9 -2,-0.3 2,-0.3 -0.753 17.6-163.6-114.4 169.3 -11.4 -3.3 44.4 107 104 A S E -de 82 138A 0 -26,-1.9 -24,-2.5 -2,-0.3 -23,-1.0 -0.986 5.2-165.3-150.1 149.5 -10.3 -6.2 42.1 108 105 A A E - e 0 139A 0 30,-1.4 32,-1.8 -2,-0.3 -59,-0.0 -0.943 18.1-133.5-143.3 130.1 -10.2 -10.0 42.1 109 106 A V E - e 0 140A 0 -2,-0.3 32,-0.2 30,-0.2 -24,-0.1 -0.358 48.2 -91.0 -64.0 147.6 -8.5 -12.6 40.0 110 107 A T - 0 0 0 30,-1.4 -1,-0.1 1,-0.1 38,-0.1 -0.464 59.7 -96.1 -58.0 129.6 -10.7 -15.4 38.9 111 108 A P - 0 0 1 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.253 54.3-161.2 -59.3 135.6 -10.2 -18.0 41.8 112 109 A F + 0 0 9 3,-0.1 2,-1.9 -3,-0.1 35,-0.1 -0.303 49.5 40.5-116.1-176.3 -7.6 -20.5 40.8 113 110 A Y S S+ 0 0 14 33,-0.5 922,-0.1 920,-0.2 -1,-0.0 -0.537 103.4 63.6 74.9 -76.4 -6.1 -24.0 41.6 114 111 A Y S S- 0 0 8 -2,-1.9 2,-0.3 1,-0.1 919,-0.0 -0.588 94.4-112.7 -77.9 138.2 -9.4 -25.8 42.2 115 112 A P - 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0 0 8 -5,-2.7 -1,-0.3 1,-0.1 -15,-0.2 -0.259 33.5-170.3 -59.4 149.2 2.8 -47.8 42.5 1094 203 D D - 0 0 34 -17,-1.8 2,-0.3 1,-0.2 -16,-0.1 0.156 70.0 -20.3-125.2 15.8 3.0 -49.6 45.9 1095 204 D G E - k 01078I 0 -18,-0.7 -16,-2.6 -198,-0.1 2,-0.3 -0.956 66.7-134.0 167.3-169.7 0.1 -47.6 47.5 1096 205 D G E -dk 8991079I 0 -198,-1.4 -196,-2.3 -18,-0.3 2,-0.4 -0.984 10.1-134.1-171.1 161.2 -1.8 -44.3 47.1 1097 206 D I E +d 900 0I 0 -18,-1.6 2,-0.3 -2,-0.3 -196,-0.2 -0.999 40.3 157.7-122.2 126.2 -3.2 -41.2 48.6 1098 207 D G E -d 901 0I 0 -198,-1.4 -196,-2.5 -2,-0.4 3,-0.4 -0.997 48.7-128.8-154.6 156.3 -6.8 -40.3 47.6 1099 208 D S S > S+ 0 0 14 -2,-0.3 3,-1.2 -198,-0.2 4,-0.2 0.802 104.1 58.4 -70.7 -35.0 -10.0 -38.4 48.5 1100 209 D T T >> S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 4,-1.2 0.664 84.1 80.4 -77.9 -13.5 -12.5 -41.3 48.0 1101 210 D Y H 3> S+ 0 0 0 -3,-0.4 4,-1.2 1,-0.3 -1,-0.3 0.631 77.5 75.3 -63.3 -19.4 -10.7 -43.5 50.6 1102 211 D N H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 -200,-0.2 -2,-0.2 0.785 111.1 23.6 -60.6 -30.7 -12.6 -41.4 53.2 1103 212 D I H <4 S+ 0 0 0 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.2 0.603 142.2 17.2-109.9 -15.0 -15.8 -43.4 52.3 1104 213 D M H >X + 0 0 0 -4,-1.2 3,-1.5 2,-0.0 4,-0.8 -0.042 68.3 142.6-153.3 34.6 -14.5 -46.7 50.8 1105 214 D G H 3X + 0 0 1 -4,-1.2 4,-1.8 1,-0.3 3,-0.4 0.769 68.0 66.8 -52.4 -33.7 -10.9 -47.1 51.8 1106 215 D W H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.824 94.1 58.9 -60.3 -32.9 -11.3 -50.9 52.3 1107 216 D R H <> S+ 0 0 3 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.881 105.4 48.6 -64.8 -40.4 -11.8 -51.3 48.5 1108 217 D Y H X S+ 0 0 0 -4,-0.8 4,-2.1 -3,-0.4 -1,-0.2 0.881 111.0 49.8 -67.7 -38.5 -8.4 -49.8 47.8 1109 218 D Q H X S+ 0 0 45 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.888 109.6 54.5 -61.1 -39.7 -6.8 -52.1 50.4 1110 219 D G H X S+ 0 0 23 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.913 106.2 48.9 -61.0 -47.0 -8.7 -54.9 48.6 1111 220 D I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.930 111.2 51.8 -57.7 -44.3 -7.2 -54.0 45.2 1112 221 D V H X S+ 0 0 24 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.940 114.1 42.2 -57.8 -48.7 -3.8 -54.0 46.9 1113 222 D K H X S+ 0 0 128 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.934 113.2 53.3 -62.7 -49.3 -4.3 -57.5 48.4 1114 223 D A H <>S+ 0 0 4 -4,-3.1 5,-3.8 1,-0.2 -1,-0.2 0.851 109.9 46.8 -57.2 -40.8 -5.9 -58.8 45.2 1115 224 D L H ><5S+ 0 0 17 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.878 108.5 56.1 -69.6 -37.3 -2.9 -57.7 43.1 1116 225 D K H 3<5S+ 0 0 178 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.825 111.8 42.1 -62.8 -34.1 -0.4 -59.1 45.6 1117 226 D E T 3<5S- 0 0 132 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.149 120.7-108.1 -99.1 15.1 -1.9 -62.6 45.4 1118 227 D G T < 5 + 0 0 21 -3,-1.3 2,-0.8 1,-0.2 -3,-0.2 0.810 68.7 146.6 62.9 35.6 -2.3 -62.4 41.6 1119 228 D D >< + 0 0 62 -5,-3.8 4,-1.6 -6,-0.2 3,-0.3 -0.709 11.7 165.2-103.0 83.2 -6.2 -62.0 41.6 1120 229 D I H > S+ 0 0 21 -2,-0.8 4,-2.8 -600,-0.2 5,-0.2 0.867 70.7 59.9 -65.6 -38.9 -6.8 -59.7 38.6 1121 230 D Q H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.820 107.7 44.7 -65.3 -35.9 -10.6 -60.4 38.5 1122 231 D T H > S+ 0 0 59 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.880 113.0 51.1 -72.7 -38.2 -11.2 -59.1 42.0 1123 232 D A H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.946 112.2 46.7 -66.1 -45.0 -9.0 -56.0 41.5 1124 233 D Q H X S+ 0 0 56 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.921 113.4 49.2 -58.4 -44.6 -10.8 -55.1 38.3 1125 234 D K H X S+ 0 0 120 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.885 113.6 45.4 -64.0 -40.9 -14.2 -55.7 40.0 1126 235 D L H X S+ 0 0 30 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.876 112.4 51.0 -72.2 -39.2 -13.2 -53.5 42.9 1127 236 D Q H X S+ 0 0 14 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.906 109.5 51.3 -63.9 -42.4 -11.7 -50.8 40.6 1128 237 D T H X S+ 0 0 37 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.914 109.3 50.4 -59.9 -41.8 -15.0 -50.8 38.6 1129 238 D E H X S+ 0 0 32 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.937 111.4 47.6 -62.8 -45.9 -16.9 -50.4 41.9 1130 239 D C H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.931 111.3 52.9 -55.1 -46.4 -14.7 -47.4 42.9 1131 240 D N H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.866 102.3 56.4 -67.5 -31.9 -15.2 -46.0 39.4 1132 241 D K H X S+ 0 0 97 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.894 112.2 43.7 -61.4 -39.1 -19.0 -46.1 39.5 1133 242 D V H X S+ 0 0 9 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.920 111.2 53.4 -69.7 -46.1 -18.9 -44.0 42.7 1134 243 D I H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.857 103.3 57.8 -58.9 -38.9 -16.3 -41.7 41.2 1135 244 D D H X S+ 0 0 43 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.942 110.3 44.3 -50.4 -50.1 -18.6 -41.1 38.2 1136 245 D L H X S+ 0 0 22 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.933 111.7 52.1 -61.9 -46.7 -21.2 -39.9 40.6 1137 246 D L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 8,-0.2 0.898 105.6 54.4 -61.3 -41.9 -18.8 -37.8 42.6 1138 247 D I H < S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.871 110.0 48.1 -59.2 -38.4 -17.5 -36.0 39.5 1139 248 D K H < S+ 0 0 113 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.870 121.2 35.8 -67.6 -39.5 -21.2 -35.0 38.7 1140 249 D T H < S- 0 0 2 -4,-2.2 29,-0.2 -5,-0.1 -2,-0.2 0.612 126.2 -89.0 -82.4 -17.9 -21.9 -33.8 42.2 1141 250 D G X - 0 0 19 -4,-1.8 4,-1.9 -5,-0.2 5,-0.2 0.306 34.9-120.8 92.6 121.5 -18.5 -32.3 43.0 1142 251 D V H > S+ 0 0 43 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.931 104.2 42.1 -66.4 -50.3 -16.0 -34.7 44.6 1143 252 D F H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.967 120.7 39.9 -66.6 -50.3 -15.2 -32.9 47.9 1144 253 D R H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.861 115.0 54.1 -69.5 -31.7 -18.7 -31.9 48.8 1145 254 D G H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.933 110.0 47.7 -65.8 -42.3 -20.1 -35.2 47.5 1146 255 D L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.978 112.3 48.5 -59.1 -55.5 -17.7 -37.0 49.8 1147 256 D K H X S+ 0 0 2 -4,-2.9 4,-1.8 1,-0.2 9,-0.3 0.826 110.1 53.5 -52.5 -38.2 -18.7 -34.8 52.7 1148 257 D T H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.945 108.5 48.0 -65.5 -49.6 -22.4 -35.4 51.9 1149 258 D V H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.897 112.0 50.3 -54.6 -39.3 -21.9 -39.2 52.0 1150 259 D L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 6,-0.9 0.826 108.6 53.9 -71.4 -29.6 -20.1 -38.8 55.3 1151 260 D H H ><5S+ 0 0 65 -4,-1.8 3,-1.5 4,-0.2 -2,-0.2 0.894 107.2 48.0 -66.5 -46.7 -23.0 -36.6 56.6 1152 261 D Y H 3<5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.758 108.0 59.3 -65.1 -23.1 -25.6 -39.4 55.7 1153 262 D M T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.173 118.5-113.2 -86.5 13.0 -23.2 -41.7 57.6 1154 263 D D T < 5S+ 0 0 140 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.733 92.7 102.8 62.9 28.2 -23.5 -39.6 60.8 1155 264 D V S - 0 0 17 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.515 63.5 -61.0 -73.4 144.3 -15.6 -23.4 51.7 1163 272 D K T 3 S+ 0 0 78 1,-0.3 -1075,-1.4 -2,-0.2 -1074,-0.4 -0.382 120.3 44.4 -55.9 137.9 -16.6 -20.7 49.2 1164 273 D P T 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.956 101.4 85.1 -89.9 5.9 -16.2 -20.5 46.3 1165 274 D F S < S- 0 0 20 -3,-1.9 -1049,-0.1 -1049,-0.1 -4,-0.1 -0.473 74.3-148.9 -56.5 130.4 -17.3 -24.1 46.3 1166 275 D G - 0 0 12 1,-0.2 -5,-0.3 -2,-0.2 -22,-0.1 -0.290 24.5 -78.1 -88.5-177.0 -21.1 -24.1 46.2 1167 276 D P - 0 0 87 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.307 52.9 -86.7 -77.5 168.3 -23.5 -26.7 47.7 1168 277 D V - 0 0 19 -9,-0.2 2,-0.4 -24,-0.1 -27,-0.1 -0.465 51.9-102.3 -67.5 141.2 -24.4 -30.1 46.3 1169 278 D D > - 0 0 83 -29,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.623 26.3-132.8 -70.1 126.5 -27.3 -29.9 43.8 1170 279 D E G > S+ 0 0 164 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.751 102.4 69.9 -54.2 -30.2 -30.4 -31.1 45.7 1171 280 D K G 3 S+ 0 0 133 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.758 97.3 53.3 -62.5 -21.9 -31.3 -33.4 42.7 1172 281 D Y G <> S+ 0 0 33 -3,-2.6 4,-2.5 1,-0.2 -1,-0.3 0.538 81.6 92.1 -88.7 -6.8 -28.3 -35.5 43.7 1173 282 D L H <> S+ 0 0 51 -3,-1.5 4,-2.9 -4,-0.3 5,-0.3 0.875 82.3 53.2 -60.3 -40.8 -29.2 -36.1 47.3 1174 283 D P H > S+ 0 0 89 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.955 111.6 45.6 -58.9 -47.0 -31.2 -39.3 46.7 1175 284 D E H > S+ 0 0 82 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.923 114.9 48.4 -59.2 -45.1 -28.2 -40.9 44.9 1176 285 D L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.912 113.7 45.4 -65.5 -41.7 -25.8 -39.7 47.6 1177 286 D K H X S+ 0 0 106 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.963 112.6 51.6 -64.2 -51.2 -28.0 -41.0 50.5 1178 287 D A H X S+ 0 0 56 -4,-3.1 4,-2.8 -5,-0.3 -2,-0.2 0.889 110.2 49.3 -51.4 -45.2 -28.6 -44.3 48.7 1179 288 D L H X S+ 0 0 9 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.917 107.6 54.5 -62.6 -43.3 -24.7 -44.7 48.2 1180 289 D A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.938 112.1 43.7 -53.8 -48.3 -24.2 -43.9 51.9 1181 290 D Q H X S+ 0 0 114 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.966 112.5 53.6 -62.9 -49.3 -26.6 -46.7 52.9 1182 291 D Q H X S+ 0 0 100 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.937 113.1 42.5 -45.0 -58.3 -25.0 -49.0 50.2 1183 292 D L H < S+ 0 0 3 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.9 53.0 -66.7 -33.6 -21.5 -48.4 51.7 1184 293 D M H < S+ 0 0 97 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.906 108.2 51.9 -65.5 -42.9 -22.6 -48.7 55.3 1185 294 D Q H < 0 0 75 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.938 360.0 360.0 -55.5 -50.7 -24.2 -52.1 54.5 1186 295 D E < 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.712 360.0 360.0 -71.0 360.0 -20.9 -53.1 52.9