==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-MAR-03 1HL2 . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.C.JOERGER,A.R.FERSHT . 1178 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 907 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 12.7 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 . 86 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 485 41.2 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 3 0 4 4 1 5 8 6 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 3 A T 0 0 176 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.8 3.0 -11.9 56.9 2 4 A N - 0 0 92 1,-0.1 71,-0.1 2,-0.0 0, 0.0 -0.682 360.0-176.7 -79.5 117.4 5.8 -13.5 54.8 3 5 A L + 0 0 11 -2,-0.6 -1,-0.1 157,-0.1 2,-0.1 0.444 42.9 115.8 -93.9 -1.9 5.1 -12.8 51.2 4 6 A R + 0 0 91 198,-0.1 2,-0.3 2,-0.0 198,-0.1 -0.401 49.2 64.0 -70.1 144.5 8.0 -14.7 49.7 5 7 A G S S- 0 0 10 196,-0.2 198,-2.3 -2,-0.1 2,-0.7 -0.919 86.3 -44.5 145.5-170.7 7.2 -17.7 47.6 6 8 A V E -a 203 0A 2 -2,-0.3 32,-2.3 196,-0.3 33,-0.9 -0.903 54.0-179.5-105.1 111.4 5.6 -19.2 44.5 7 9 A M E -ab 204 39A 0 196,-2.8 198,-1.5 -2,-0.7 33,-0.2 -0.953 23.2-130.7-118.5 129.5 2.2 -17.6 43.9 8 10 A A E -ab 205 40A 0 31,-1.9 33,-3.1 -2,-0.5 2,-1.1 -0.525 15.3-131.6 -78.4 138.1 -0.1 -18.5 41.0 9 11 A A E - b 0 41A 1 196,-2.3 200,-0.2 -2,-0.2 33,-0.2 -0.801 39.6-128.7 -86.9 103.2 -1.5 -15.6 39.0 10 12 A L - 0 0 3 31,-1.7 33,-0.4 -2,-1.1 34,-0.3 -0.249 14.4-139.8 -61.1 136.2 -5.1 -16.8 39.1 11 13 A L - 0 0 0 195,-0.1 36,-0.2 36,-0.1 35,-0.1 -0.559 14.2-127.9 -88.3 160.7 -7.1 -17.1 35.9 12 14 A T - 0 0 2 34,-0.5 2,-0.2 -2,-0.2 242,-0.0 -0.926 20.2-145.9-113.0 108.2 -10.7 -16.1 35.8 13 15 A P - 0 0 1 0, 0.0 8,-2.3 0, 0.0 2,-0.3 -0.495 15.7-162.1 -73.2 141.3 -13.0 -18.8 34.4 14 16 A F B -I 20 0B 0 251,-0.6 253,-0.4 253,-0.5 251,-0.3 -0.874 12.6-125.8-121.0 157.5 -16.0 -17.6 32.3 15 17 A D > - 0 0 45 4,-3.1 3,-2.5 -2,-0.3 6,-0.1 -0.298 46.7 -80.5 -90.8-176.2 -19.1 -19.4 31.3 16 18 A Q T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 0.778 133.1 51.5 -56.7 -29.3 -20.5 -19.8 27.7 17 19 A Q T 3 S- 0 0 148 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.281 119.3-110.0 -91.3 11.6 -21.9 -16.3 27.9 18 20 A Q S < S+ 0 0 39 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.633 77.3 131.1 71.6 14.6 -18.6 -14.8 29.1 19 21 A A S S- 0 0 44 1,-0.1 -4,-3.1 250,-0.0 -1,-0.3 -0.632 74.4 -75.4 -92.6 159.3 -19.9 -14.1 32.6 20 22 A L B -I 14 0B 24 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.3 -0.292 38.7-142.5 -55.2 131.7 -17.9 -15.2 35.6 21 23 A D > - 0 0 20 -8,-2.3 4,-2.2 1,-0.2 5,-0.2 -0.844 20.8-175.3 -96.9 94.4 -18.2 -19.0 36.1 22 24 A K H > S+ 0 0 104 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.895 77.9 53.7 -61.9 -43.7 -18.2 -19.0 39.9 23 25 A A H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 112.9 44.4 -60.3 -41.1 -18.2 -22.8 40.4 24 26 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 111.2 53.4 -71.8 -33.9 -15.1 -23.0 38.2 25 27 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.954 111.7 46.0 -63.6 -47.5 -13.4 -20.1 39.9 26 28 A R H X S+ 0 0 69 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.927 112.9 49.9 -62.2 -42.6 -14.0 -21.8 43.3 27 29 A R H X S+ 0 0 100 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.889 111.0 50.1 -62.0 -39.1 -12.7 -25.2 41.9 28 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.886 108.6 50.8 -67.6 -39.3 -9.6 -23.4 40.5 29 31 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 3,-0.3 0.990 113.9 45.5 -60.3 -54.3 -8.8 -21.7 43.8 30 32 A Q H X S+ 0 0 67 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.871 110.2 54.6 -55.6 -39.5 -9.1 -25.1 45.5 31 33 A F H X S+ 0 0 23 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.906 109.8 46.7 -60.9 -44.5 -7.0 -26.8 42.8 32 34 A N H >X>S+ 0 0 0 -4,-2.4 5,-1.5 -3,-0.3 3,-0.7 0.915 112.3 49.6 -64.8 -43.6 -4.2 -24.3 43.3 33 35 A I H ><5S+ 0 0 37 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.972 109.4 52.9 -58.8 -49.6 -4.4 -24.7 47.1 34 36 A Q H 3<5S+ 0 0 126 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.668 100.7 62.3 -59.8 -19.9 -4.3 -28.5 46.6 35 37 A Q H <<5S- 0 0 16 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.617 118.1-108.0 -80.2 -15.9 -1.1 -28.2 44.5 36 38 A G T <<5 + 0 0 45 -3,-2.0 -3,-0.2 -4,-0.6 -2,-0.1 0.695 58.7 167.0 94.9 19.3 0.9 -26.8 47.4 37 39 A I < - 0 0 8 -5,-1.5 -1,-0.2 -4,-0.2 -30,-0.2 -0.352 36.6-137.3 -64.8 147.0 1.0 -23.2 45.9 38 40 A D S S- 0 0 59 -32,-2.3 35,-2.4 1,-0.2 2,-0.3 0.755 71.4 -31.9 -79.4 -26.7 2.1 -20.5 48.5 39 41 A G E -bc 7 73A 0 -33,-0.9 -31,-1.9 33,-0.2 2,-0.4 -0.978 57.9-104.2-174.3 178.5 -0.5 -18.0 47.5 40 42 A L E -bc 8 74A 0 33,-2.2 35,-2.9 -2,-0.3 2,-0.7 -0.978 11.9-150.2-126.3 139.6 -2.6 -16.5 44.7 41 43 A Y E -bc 9 75A 0 -33,-3.1 -31,-1.7 -2,-0.4 3,-0.4 -0.946 32.2-159.0-109.2 108.5 -2.2 -13.2 42.9 42 44 A V E + c 0 76A 0 33,-3.3 35,-3.5 -2,-0.7 -31,-0.1 -0.784 56.7 8.7-104.2 133.3 -5.7 -12.3 42.0 43 45 A G S S+ 0 0 5 -2,-0.4 -1,-0.2 -33,-0.4 -32,-0.1 0.750 88.5 135.4 79.4 22.1 -7.1 -10.0 39.4 44 46 A G S > >S- 0 0 1 -3,-0.4 5,-1.7 -34,-0.3 3,-0.5 -0.037 78.9 -72.3 -85.7-162.8 -3.9 -9.4 37.6 45 47 A S G > 5S+ 0 0 8 1,-0.2 3,-1.8 2,-0.2 5,-0.2 0.913 135.5 54.6 -55.3 -45.2 -3.2 -9.4 33.9 46 48 A T G 3 5S+ 0 0 15 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.766 100.4 58.9 -60.1 -33.8 -3.7 -13.2 33.9 47 49 A G G < 5S- 0 0 0 -3,-0.5 -1,-0.3 -36,-0.2 -2,-0.2 0.394 114.8-117.3 -77.8 3.1 -7.1 -12.9 35.6 48 50 A E T X 5 + 0 0 0 -3,-1.8 3,-1.8 -4,-0.2 -3,-0.2 0.845 58.7 158.3 61.9 34.9 -8.2 -10.8 32.5 49 51 A A G > < + 0 0 1 -5,-1.7 3,-1.8 1,-0.3 -4,-0.1 0.838 64.1 62.6 -57.2 -37.7 -8.7 -7.9 34.8 50 52 A F G 3 S+ 0 0 26 1,-0.3 918,-0.3 -5,-0.2 917,-0.3 0.479 103.2 47.9 -75.2 0.4 -8.4 -5.5 31.9 51 53 A V G < S+ 0 0 0 -3,-1.8 2,-0.3 916,-0.1 -1,-0.3 0.019 103.8 83.2-119.1 23.0 -11.5 -6.9 30.2 52 54 A Q S < S- 0 0 14 -3,-1.8 2,-0.1 217,-0.0 916,-0.1 -0.937 76.6-121.6-125.8 149.8 -13.5 -6.8 33.5 53 55 A S > - 0 0 33 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.320 34.8-103.3 -80.2 169.7 -15.4 -4.0 35.2 54 56 A L H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.936 123.0 49.4 -60.9 -47.2 -14.6 -2.8 38.7 55 57 A S H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 109.9 51.7 -62.1 -35.0 -17.5 -4.6 40.2 56 58 A E H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 109.9 48.9 -68.5 -38.2 -16.6 -7.8 38.4 57 59 A R H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.912 111.0 50.5 -66.8 -39.5 -13.0 -7.6 39.7 58 60 A E H X S+ 0 0 28 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.909 107.6 53.8 -65.1 -39.4 -14.4 -7.0 43.2 59 61 A Q H X S+ 0 0 63 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.920 109.9 47.4 -60.8 -43.7 -16.6 -10.0 42.9 60 62 A V H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.934 111.8 49.7 -64.0 -44.4 -13.7 -12.2 42.0 61 63 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.948 112.1 49.1 -59.1 -46.4 -11.6 -10.8 44.9 62 64 A E H X S+ 0 0 83 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.914 112.2 47.0 -60.2 -44.4 -14.5 -11.5 47.3 63 65 A I H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.922 111.4 50.4 -66.9 -41.8 -15.0 -15.1 46.0 64 66 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.910 110.2 50.6 -63.6 -38.9 -11.3 -16.0 46.2 65 67 A A H X S+ 0 0 7 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.929 107.5 54.0 -62.5 -45.6 -11.1 -14.6 49.7 66 68 A E H < S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 116.2 39.4 -53.9 -43.6 -14.1 -16.7 50.7 67 69 A E H < S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.857 132.3 17.1 -75.4 -37.5 -12.4 -19.8 49.4 68 70 A A H >X S+ 0 0 0 -4,-2.8 3,-2.7 -5,-0.2 4,-1.3 0.533 74.1 132.9-121.5 -5.8 -8.8 -19.2 50.5 69 71 A K T 3< S+ 0 0 133 -4,-2.7 4,-0.1 -5,-0.3 29,-0.1 -0.271 88.3 8.6 -53.2 128.6 -8.4 -16.6 53.2 70 72 A G T 34 S+ 0 0 77 2,-0.5 -1,-0.3 27,-0.2 3,-0.1 0.256 116.4 78.0 85.7 -12.8 -6.1 -18.1 55.9 71 73 A K T <4 S- 0 0 139 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.767 108.6 -2.2 -96.6 -31.8 -5.2 -21.1 53.9 72 74 A I S < S- 0 0 16 -4,-1.3 -2,-0.5 -32,-0.0 -1,-0.4 -0.945 91.2 -77.8-150.8 165.0 -2.6 -19.5 51.5 73 75 A K E -c 39 0A 72 -35,-2.4 -33,-2.2 -2,-0.3 2,-0.5 -0.420 43.3-153.3 -69.8 143.2 -1.3 -16.0 51.0 74 76 A L E -c 40 0A 0 -35,-0.2 25,-2.1 23,-0.1 26,-1.5 -0.965 12.7-175.7-126.9 119.2 -3.6 -13.7 49.0 75 77 A I E -cd 41 100A 0 -35,-2.9 -33,-3.3 -2,-0.5 2,-0.7 -0.950 14.1-151.2-113.1 124.5 -2.4 -10.8 46.9 76 78 A A E -cd 42 101A 0 24,-2.7 26,-2.0 -2,-0.5 2,-0.8 -0.846 5.6-147.6 -98.2 115.2 -5.1 -8.6 45.3 77 79 A H E + d 0 102A 1 -35,-3.5 26,-0.2 -2,-0.7 -16,-0.1 -0.749 28.2 165.5 -80.8 116.0 -4.1 -6.9 42.0 78 80 A V + 0 0 0 24,-3.1 11,-0.3 -2,-0.8 12,-0.2 0.291 22.5 137.2-113.1 6.5 -6.0 -3.7 42.3 79 81 A G + 0 0 0 23,-0.8 2,-0.3 10,-0.1 26,-0.1 -0.319 17.4 156.2 -66.0 133.7 -4.2 -1.8 39.5 80 82 A C - 0 0 4 2,-0.2 857,-0.1 24,-0.2 6,-0.1 -0.852 55.6-107.7-138.4 171.9 -6.2 0.3 37.0 81 83 A V S S+ 0 0 10 855,-0.3 2,-0.3 -2,-0.3 856,-0.1 0.945 105.9 71.5 -69.5 -42.6 -5.1 3.2 34.9 82 84 A S S > S- 0 0 2 854,-0.4 4,-1.9 1,-0.1 -2,-0.2 -0.513 73.9-149.8 -74.5 131.5 -7.3 5.4 37.2 83 85 A T H > S+ 0 0 5 1073,-1.3 4,-2.5 -2,-0.3 5,-0.2 0.918 98.0 53.2 -65.6 -43.3 -6.0 6.0 40.8 84 86 A A H > S+ 0 0 55 1072,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.919 109.2 48.5 -59.0 -44.5 -9.5 6.3 42.2 85 87 A E H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 111.7 50.1 -61.2 -43.3 -10.6 3.0 40.7 86 88 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.885 108.8 52.8 -63.0 -37.9 -7.5 1.3 42.1 87 89 A Q H X S+ 0 0 52 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.885 106.0 52.6 -65.4 -39.1 -8.2 2.8 45.5 88 90 A Q H X S+ 0 0 101 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.909 111.5 46.8 -62.9 -41.1 -11.7 1.4 45.5 89 91 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -11,-0.3 -2,-0.2 0.900 111.5 51.5 -66.2 -40.5 -10.3 -2.1 44.7 90 92 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 109.0 50.0 -60.8 -46.6 -7.6 -1.7 47.4 91 93 A A H X S+ 0 0 34 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.887 112.4 48.6 -60.8 -38.2 -10.3 -0.7 50.0 92 94 A S H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.905 107.0 54.8 -70.1 -39.6 -12.3 -3.8 48.9 93 95 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-0.6 0.895 109.7 48.1 -59.3 -41.0 -9.2 -6.1 49.2 94 96 A K H ><5S+ 0 0 81 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.970 110.9 50.3 -63.6 -51.5 -8.7 -4.9 52.7 95 97 A R H 3<5S+ 0 0 160 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.872 109.9 51.5 -53.7 -40.3 -12.4 -5.5 53.5 96 98 A Y H 3<5S- 0 0 41 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.538 118.9-106.9 -77.2 -8.9 -12.2 -9.0 52.1 97 99 A G T <<5 + 0 0 16 -3,-1.7 -27,-0.2 -4,-0.6 -3,-0.2 0.788 56.6 165.2 92.0 27.7 -9.2 -10.0 54.2 98 100 A F < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.1 -23,-0.2 -0.376 37.6-136.3 -74.3 159.6 -6.4 -10.0 51.6 99 101 A D S S- 0 0 66 -25,-2.1 2,-0.3 1,-0.2 -24,-0.2 0.737 77.0 -9.6 -86.8 -26.2 -2.8 -10.1 52.7 100 102 A A E -d 75 0A 0 -26,-1.5 -24,-2.7 30,-0.2 2,-0.3 -0.974 60.2-129.2-162.6 168.7 -1.5 -7.5 50.3 101 103 A V E -de 76 132A 0 30,-2.7 32,-2.1 -2,-0.3 2,-0.3 -0.822 17.0-166.1-123.7 166.4 -2.3 -5.5 47.2 102 104 A S E -de 77 133A 0 -26,-2.0 -24,-3.1 -2,-0.3 -23,-0.8 -0.979 1.9-166.4-149.8 154.0 -0.5 -4.9 44.0 103 105 A A E - e 0 134A 0 30,-1.4 32,-1.6 -2,-0.3 2,-0.1 -0.954 19.7-131.4-151.7 127.9 -0.8 -2.5 41.1 104 106 A V E - e 0 135A 0 -2,-0.3 -24,-0.2 30,-0.2 32,-0.2 -0.421 49.5 -89.0 -69.1 148.2 0.6 -2.5 37.6 105 107 A T - 0 0 0 30,-1.4 38,-0.1 1,-0.1 -1,-0.1 -0.489 59.1 -94.7 -59.7 126.2 2.3 0.8 36.7 106 108 A P - 0 0 0 0, 0.0 5,-0.2 0, 0.0 -25,-0.1 -0.142 57.8-166.2 -44.1 129.6 -0.6 3.0 35.1 107 109 A F + 0 0 13 -3,-0.1 2,-2.6 3,-0.1 35,-0.1 -0.400 47.7 42.6-116.8-168.7 -0.5 2.6 31.4 108 110 A Y S S+ 0 0 14 33,-0.5 -1,-0.1 918,-0.2 920,-0.1 -0.387 105.0 63.8 69.4 -62.8 -1.8 3.9 28.0 109 111 A Y S S- 0 0 9 -2,-2.6 2,-0.5 827,-0.1 917,-0.0 -0.673 94.5-115.5 -87.4 142.8 -1.3 7.5 29.0 110 112 A P - 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0 0 18 -3,-1.3 2,-0.7 -6,-0.2 -21,-0.1 -0.281 66.5-123.6 -61.9 138.8 19.4 26.7 7.9 479 185 B V E -p 457 0C 13 -23,-0.7 -21,-2.2 17,-0.1 2,-0.5 -0.771 38.1-171.7 -80.9 116.6 19.8 24.7 4.7 480 186 B L E -p 458 0C 0 -2,-0.7 17,-2.2 -23,-0.2 18,-0.7 -0.921 9.1-158.3-123.4 106.1 17.5 21.8 5.7 481 187 B Y E -pq 459 498C 0 -23,-2.7 -21,-2.7 -2,-0.5 2,-0.4 -0.713 15.1-134.6 -88.9 127.3 17.3 18.7 3.4 482 188 B N E -pq 460 499C 0 16,-2.7 18,-1.8 -2,-0.4 -21,-0.2 -0.641 21.5-170.6 -72.4 131.1 14.3 16.4 3.5 483 189 B G + 0 0 9 -23,-2.1 2,-0.8 -2,-0.4 -22,-0.2 0.664 61.8 73.5-102.9 -18.7 15.8 12.9 3.6 484 190 B Y > - 0 0 55 -24,-0.4 3,-2.3 -22,-0.3 4,-0.3 -0.858 63.4-161.3 -99.6 106.5 12.8 10.5 3.0 485 191 B D G > S+ 0 0 7 -2,-0.8 3,-1.6 1,-0.3 4,-0.3 0.833 84.9 67.2 -54.3 -36.3 11.8 10.8 -0.6 486 192 B E G 3 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.1 573,-0.1 0.516 110.0 34.4 -68.0 -6.4 8.4 9.3 0.0 487 193 B I G <> S+ 0 0 8 -3,-2.3 4,-2.7 2,-0.1 3,-0.4 0.233 79.3 124.7-129.0 16.1 7.4 12.4 2.1 488 194 B F H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.3 5,-0.2 0.845 74.9 47.8 -43.2 -54.7 9.3 15.1 0.1 489 195 B A H > S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.926 116.1 44.6 -56.2 -45.7 6.2 17.3 -0.6 490 196 B S H > S+ 0 0 4 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.837 111.4 54.3 -67.8 -32.1 5.1 17.1 3.1 491 197 B G H X>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-1.1 0.876 107.6 49.0 -69.4 -43.1 8.6 17.7 4.3 492 198 B L H ><5S+ 0 0 16 -4,-2.5 3,-0.8 -5,-0.3 -2,-0.2 0.938 110.7 51.3 -61.2 -43.9 9.0 20.9 2.2 493 199 B L H 3<5S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.891 108.2 52.2 -60.1 -37.0 5.6 22.1 3.6 494 200 B A H 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.706 136.6 -77.7 -73.3 -19.5 6.9 21.4 7.2 495 201 B G T <<5S+ 0 0 8 -4,-1.1 -3,-0.2 -3,-0.8 -15,-0.2 0.354 84.1 131.6 143.4 -12.0 10.0 23.4 6.6 496 202 B A < - 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0 0 17 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.209 38.2-116.9 110.0 123.1 1.0 18.1 29.9 1135 251 D V H > S+ 0 0 47 2,-0.2 4,-2.6 -4,-0.2 5,-0.2 0.950 104.1 38.1 -63.8 -56.5 -1.4 18.2 27.0 1136 252 D F H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 121.1 44.9 -62.2 -46.3 -4.9 17.5 28.4 1137 253 D R H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.862 113.4 52.5 -64.2 -38.2 -4.3 19.5 31.6 1138 254 D G H X S+ 0 0 0 -4,-2.1 4,-2.0 -8,-0.2 -2,-0.2 0.942 110.6 46.6 -63.3 -47.0 -2.8 22.3 29.6 1139 255 D L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 111.9 50.6 -60.5 -44.8 -5.8 22.5 27.3 1140 256 D K H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 9,-0.2 0.852 108.7 52.8 -63.8 -33.5 -8.2 22.4 30.2 1141 257 D T H X S+ 0 0 6 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.896 108.6 48.4 -69.8 -40.5 -6.3 25.2 31.9 1142 258 D V H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.925 111.6 50.8 -64.6 -40.9 -6.6 27.4 28.8 1143 259 D L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 6,-0.7 0.885 107.9 53.4 -64.0 -34.9 -10.2 26.6 28.6 1144 260 D H H ><5S+ 0 0 78 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.921 108.8 48.2 -65.9 -41.3 -10.5 27.6 32.2 1145 261 D Y H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 108.5 54.8 -70.6 -19.8 -8.9 31.0 31.5 1146 262 D M T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.305 118.9-114.9 -92.9 6.4 -11.3 31.4 28.6 1147 263 D D T < 5S+ 0 0 126 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.867 87.9 109.4 63.9 41.0 -14.1 30.9 31.0 1148 264 D V S - 0 0 20 -2,-0.3 3,-2.3 1,-0.1 -217,-0.0 -0.570 60.0 -62.0 -85.5 147.7 -8.2 12.6 36.8 1156 272 D K T 3 S+ 0 0 84 1,-0.4 -1073,-1.3 -2,-0.2 -1072,-0.4 -0.346 120.3 44.2 -55.9 145.7 -5.5 11.0 38.9 1157 273 D P T 3 S+ 0 0 4 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.960 101.8 83.0 -75.1 4.7 -2.9 9.8 38.1 1158 274 D F S < S- 0 0 21 -3,-2.3 -4,-0.1 -1047,-0.1 -1047,-0.1 -0.539 75.5-146.7 -66.1 135.9 -2.5 12.9 36.0 1159 275 D G - 0 0 14 -2,-0.2 -5,-0.2 1,-0.2 -22,-0.1 -0.395 24.1 -81.8 -95.4 178.8 -1.3 15.6 38.4 1160 276 D P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.257 55.0 -83.4 -76.9 167.5 -2.0 19.3 38.2 1161 277 D V - 0 0 19 -24,-0.1 2,-0.3 1,-0.1 -27,-0.1 -0.496 50.0-104.8 -70.7 138.7 -0.3 21.8 35.9 1162 278 D D > - 0 0 87 -29,-0.3 3,-2.5 -2,-0.2 4,-0.3 -0.502 28.9-129.7 -65.3 126.5 3.0 23.1 37.3 1163 279 D E G > S+ 0 0 158 1,-0.3 3,-1.4 -2,-0.3 -1,-0.2 0.741 101.1 73.1 -52.2 -27.4 2.3 26.6 38.5 1164 280 D K G 3 S+ 0 0 133 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.751 96.5 51.8 -63.5 -19.2 5.2 28.0 36.7 1165 281 D Y G <> S+ 0 0 43 -3,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.545 82.5 90.2 -92.9 -7.8 3.3 27.5 33.4 1166 282 D L H <> S+ 0 0 52 -3,-1.4 4,-3.2 -4,-0.3 5,-0.3 0.898 83.6 53.0 -59.5 -42.2 0.1 29.3 34.3 1167 283 D P H > S+ 0 0 87 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.930 111.6 46.7 -60.2 -40.5 1.1 32.8 33.1 1168 284 D E H > S+ 0 0 104 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.886 115.2 46.5 -65.7 -39.7 2.0 31.3 29.7 1169 285 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.875 113.6 47.8 -69.6 -38.2 -1.2 29.4 29.6 1170 286 D K H X S+ 0 0 107 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.905 112.5 49.5 -68.6 -38.7 -3.2 32.4 30.7 1171 287 D A H X S+ 0 0 56 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.888 110.7 50.6 -64.2 -40.2 -1.4 34.6 28.1 1172 288 D L H X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.947 108.6 51.8 -63.5 -46.3 -2.2 31.9 25.5 1173 289 D A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.896 111.0 48.4 -55.4 -42.0 -5.9 32.0 26.6 1174 290 D Q H X S+ 0 0 84 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.911 111.1 49.6 -65.8 -42.7 -5.9 35.8 26.1 1175 291 D Q H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.952 112.6 47.1 -60.7 -49.3 -4.2 35.6 22.7 1176 292 D L H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.854 112.6 49.3 -63.3 -35.2 -6.8 33.0 21.5 1177 293 D M H >< S+ 0 0 73 -4,-2.1 3,-1.1 -5,-0.3 4,-0.3 0.896 110.1 51.2 -71.0 -37.2 -9.7 35.1 22.9 1178 294 D Q H >< S+ 0 0 152 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.791 101.6 63.6 -67.2 -27.1 -8.3 38.2 21.2 1179 295 D E T 3< S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.672 98.6 54.4 -71.0 -17.3 -8.1 36.1 17.9 1180 296 D R T < 0 0 91 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.511 360.0 360.0 -93.6 -8.1 -11.9 35.7 18.0 1181 297 D G < 0 0 122 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.854 360.0 360.0 74.5 360.0 -12.6 39.4 18.2