==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-MAR-12 4AMA . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS NC . AUTHOR N.TIMMS,A.POLYAKOVA,C.L.WINDLE,C.H.TRINH,A.NELSON,A.R.PEARSO . 1176 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 887 75.4 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 . 16 1.4 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 . 85 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 462 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.6 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 3 0 4 0 5 7 2 5 5 4 4 0 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 16 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 . 8 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 4 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 1 A H 0 0 234 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 -31.3 28.5 60.0 2 2 A N - 0 0 81 1,-0.1 2,-0.1 100,-0.0 100,-0.0 -0.262 360.0-112.5 -63.0 153.2 -28.6 26.9 58.0 3 3 A K - 0 0 78 99,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.485 28.1-102.9 -80.3 159.5 -26.9 23.6 59.2 4 4 A D - 0 0 91 -2,-0.1 72,-0.1 1,-0.1 -1,-0.1 -0.798 32.0-157.8 -76.2 112.6 -23.3 23.3 60.3 5 5 A L + 0 0 16 -2,-0.8 -1,-0.1 97,-0.1 36,-0.0 0.565 52.4 118.0 -74.7 -9.9 -21.8 21.6 57.2 6 6 A K + 0 0 91 198,-0.1 2,-0.3 181,-0.0 198,-0.2 -0.169 48.4 61.6 -52.4 149.0 -18.8 20.2 59.2 7 7 A G E S-a 204 0A 8 196,-2.2 198,-1.8 2,-0.0 2,-0.4 -0.830 82.8 -42.0 132.9-170.3 -18.5 16.4 59.3 8 8 A L E -a 205 0A 0 -2,-0.3 33,-1.5 196,-0.2 34,-1.4 -0.845 48.1-173.6-109.0 133.0 -18.1 13.1 57.4 9 9 A Y E -ab 206 42A 0 196,-2.6 198,-1.7 -2,-0.4 2,-0.5 -0.951 22.7-130.2-130.2 141.6 -20.0 12.4 54.2 10 10 A A E -ab 207 43A 0 32,-1.9 34,-2.9 -2,-0.4 2,-1.2 -0.803 20.9-133.3 -84.2 129.0 -20.4 9.5 51.9 11 11 A A E - b 0 44A 1 196,-2.5 34,-0.2 -2,-0.5 200,-0.2 -0.779 44.2-120.1 -72.0 102.8 -19.7 10.2 48.2 12 12 A L - 0 0 1 32,-1.9 35,-0.3 -2,-1.2 34,-0.3 -0.304 23.6-147.0 -63.1 127.7 -23.0 8.4 47.3 13 13 A L - 0 0 0 195,-0.1 37,-0.2 37,-0.1 17,-0.1 -0.633 11.6-145.9 -89.9 149.8 -22.6 5.4 44.9 14 14 A V - 0 0 0 35,-0.4 2,-0.4 -2,-0.2 256,-0.1 -0.962 3.0-139.4-126.9 131.8 -25.4 4.6 42.4 15 15 A P - 0 0 0 0, 0.0 8,-2.7 0, 0.0 2,-0.3 -0.768 20.5-161.6 -92.9 139.4 -26.6 1.2 41.2 16 16 A F B -IJ 22 268B 2 252,-2.5 252,-2.7 -2,-0.4 6,-0.2 -0.853 13.9-128.7-117.1 152.1 -27.5 0.7 37.5 17 17 A D > - 0 0 67 4,-2.8 3,-2.2 -2,-0.3 6,-0.1 -0.269 52.0 -81.9 -78.5 178.7 -29.5 -1.8 35.5 18 18 A E T 3 S+ 0 0 67 1,-0.3 253,-0.1 2,-0.1 -1,-0.1 0.724 132.0 49.6 -58.5 -21.1 -28.0 -3.6 32.4 19 19 A N T 3 S- 0 0 107 2,-0.1 -1,-0.3 251,-0.1 3,-0.1 0.220 119.5-103.4-104.0 13.2 -28.9 -0.4 30.3 20 20 A G S < S+ 0 0 5 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.748 75.2 140.5 69.3 20.5 -27.4 2.2 32.6 21 21 A Q - 0 0 79 1,-0.1 -4,-2.8 34,-0.1 -1,-0.3 -0.742 60.2 -99.8 -86.5 148.6 -30.8 3.3 34.0 22 22 A V B -I 16 0B 15 -2,-0.3 2,-1.0 -6,-0.2 -6,-0.2 -0.452 21.4-138.4 -69.6 134.1 -30.8 4.1 37.7 23 23 A N > - 0 0 26 -8,-2.7 4,-2.2 -2,-0.2 5,-0.2 -0.801 18.5-169.2 -91.9 96.6 -32.0 1.4 40.1 24 24 A E H > S+ 0 0 78 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.851 79.4 52.7 -59.4 -38.9 -34.1 3.6 42.5 25 25 A Q H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 112.5 43.3 -65.6 -51.8 -34.6 0.9 45.1 26 26 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.835 110.2 58.5 -59.6 -36.2 -31.0 -0.0 45.5 27 27 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.938 106.5 46.6 -58.4 -49.8 -30.1 3.7 45.5 28 28 A K H X S+ 0 0 98 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.968 112.3 53.2 -55.4 -50.8 -32.3 4.3 48.5 29 29 A Q H X S+ 0 0 70 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.887 108.5 47.7 -50.1 -47.6 -30.6 1.3 50.1 30 30 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.908 113.5 49.1 -63.6 -40.3 -27.1 2.6 49.5 31 31 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.928 111.9 47.8 -63.4 -47.1 -28.2 6.0 50.9 32 32 A Q H X>S+ 0 0 56 -4,-3.2 4,-3.2 1,-0.2 5,-0.6 0.892 108.3 54.8 -62.2 -40.4 -29.7 4.4 54.0 33 33 A N H <>S+ 0 0 9 -4,-2.5 5,-2.5 -5,-0.2 4,-0.4 0.912 105.3 53.8 -60.0 -43.2 -26.6 2.2 54.6 34 34 A A H <5S+ 0 0 0 -4,-1.9 6,-1.7 3,-0.2 -1,-0.2 0.903 120.5 31.0 -57.2 -42.5 -24.4 5.4 54.6 35 35 A I H <5S+ 0 0 32 -4,-1.6 4,-0.3 4,-0.2 -2,-0.2 0.921 130.7 30.2 -85.2 -47.0 -26.5 7.1 57.3 36 36 A E T <5S+ 0 0 126 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.964 131.6 28.8 -81.8 -55.6 -27.9 4.2 59.4 37 37 A T T >S- 0 0 2 -3,-0.5 3,-1.6 -35,-0.3 5,-1.3 -0.357 74.1 -80.8 -87.9-178.5 -20.2 13.4 42.6 48 48 A S G > 5S+ 0 0 2 1,-0.3 3,-1.8 3,-0.2 5,-0.2 0.878 128.4 61.9 -46.2 -43.2 -17.5 11.5 40.6 49 49 A S G 3 5S+ 0 0 3 1,-0.3 -35,-0.4 2,-0.2 -1,-0.3 0.662 97.2 55.7 -66.6 -23.6 -18.2 8.5 42.8 50 50 A G G < 5S- 0 0 0 -3,-1.6 -1,-0.3 -37,-0.2 -2,-0.2 0.141 115.3-112.9 -93.2 18.0 -21.8 8.2 41.7 51 51 A E T X 5 + 0 0 0 -3,-1.8 3,-1.4 1,-0.1 4,-0.3 0.833 63.2 157.0 58.7 31.9 -20.8 8.0 38.1 52 52 A N G > < + 0 0 1 -5,-1.3 3,-1.6 1,-0.2 -4,-0.1 0.829 62.2 60.7 -62.6 -30.1 -22.5 11.4 37.6 53 53 A F G 3 S+ 0 0 21 1,-0.3 -1,-0.2 -5,-0.2 917,-0.2 0.638 100.9 57.0 -78.5 -2.0 -20.5 12.4 34.5 54 54 A L G < S+ 0 0 0 -3,-1.4 -1,-0.3 917,-0.1 919,-0.3 0.481 97.0 89.9 -95.7 -9.1 -21.9 9.4 32.8 55 55 A L S < S- 0 0 9 -3,-1.6 2,-0.2 -4,-0.3 916,-0.1 -0.506 70.6-127.4 -96.4 154.0 -25.5 10.5 33.4 56 56 A N > - 0 0 49 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.533 39.4 -99.8 -86.5 166.0 -28.1 12.6 31.6 57 57 A T H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 122.1 52.6 -50.6 -46.0 -29.9 15.5 33.3 58 58 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 110.0 49.8 -61.6 -36.1 -33.1 13.5 34.0 59 59 A Q H > S+ 0 0 2 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 108.3 51.6 -70.1 -40.6 -31.0 10.8 35.7 60 60 A K H X S+ 0 0 8 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 109.3 50.9 -64.0 -40.2 -29.1 13.3 37.8 61 61 A K H X S+ 0 0 53 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.920 107.7 54.7 -58.5 -43.1 -32.5 14.7 39.0 62 62 A Q H X S+ 0 0 49 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.948 109.0 46.6 -54.0 -54.7 -33.6 11.1 39.8 63 63 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.903 111.9 51.1 -58.1 -43.5 -30.6 10.6 42.0 64 64 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.952 113.9 44.5 -57.0 -43.3 -31.1 14.0 43.7 65 65 A K H X S+ 0 0 90 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.880 114.6 47.0 -73.8 -39.0 -34.7 13.2 44.4 66 66 A V H X S+ 0 0 16 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.965 110.6 52.4 -69.5 -45.5 -34.1 9.6 45.6 67 67 A A H >X S+ 0 0 0 -4,-2.5 3,-0.9 -5,-0.2 4,-0.6 0.947 111.7 45.5 -51.5 -58.2 -31.2 10.6 47.9 68 68 A K H >< S+ 0 0 43 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.921 111.8 52.0 -53.4 -50.3 -33.2 13.3 49.7 69 69 A E H 3< S+ 0 0 121 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.775 103.5 61.8 -53.7 -31.6 -36.2 11.0 50.1 70 70 A A H << S+ 0 0 6 -4,-1.7 2,-0.3 -3,-0.9 -1,-0.2 0.652 100.6 55.9 -74.2 -17.5 -34.0 8.3 51.6 71 71 A V S << S- 0 0 19 -3,-1.5 -39,-0.1 -4,-0.6 -40,-0.0 -0.797 80.1-100.3-129.0 159.6 -32.9 10.2 54.7 72 72 A G > - 0 0 46 -2,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.243 39.7-105.8 -74.0 160.1 -34.0 12.2 57.8 73 73 A D T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.659 117.8 61.3 -61.6 -19.2 -34.2 16.0 58.1 74 74 A K T 3 S+ 0 0 89 2,-0.1 2,-0.3 -71,-0.0 -1,-0.3 0.660 81.7 106.6 -79.2 -14.6 -31.1 16.1 60.4 75 75 A V S < S- 0 0 17 -3,-1.9 -33,-0.2 1,-0.1 2,-0.1 -0.489 73.7-125.2 -74.8 121.9 -29.0 14.5 57.5 76 76 A K E -c 42 0A 38 -35,-2.4 -33,-2.3 -2,-0.3 2,-0.5 -0.382 26.9-163.1 -66.5 133.9 -26.5 16.9 55.8 77 77 A L E -c 43 0A 4 -35,-0.2 25,-1.9 23,-0.1 26,-1.0 -0.928 11.6-176.3-129.8 117.2 -27.0 17.1 52.0 78 78 A I E -cd 44 103A 0 -35,-2.8 -33,-2.7 -2,-0.5 2,-0.6 -0.941 15.0-149.7-113.9 129.0 -24.4 18.4 49.6 79 79 A A E -cd 45 104A 0 24,-2.9 26,-2.5 -2,-0.5 2,-0.8 -0.843 3.1-154.2-105.3 111.1 -25.4 18.6 45.9 80 80 A Q E + d 0 105A 0 -35,-2.5 26,-0.2 -2,-0.6 24,-0.1 -0.712 30.5 154.9 -82.7 109.7 -22.7 18.2 43.1 81 81 A V + 0 0 0 24,-2.8 11,-0.2 -2,-0.8 12,-0.2 0.301 21.7 133.7-120.1 2.0 -24.2 20.0 40.1 82 82 A G + 0 0 1 23,-1.0 2,-0.3 10,-0.1 26,-0.1 -0.239 25.9 155.3 -55.3 149.6 -21.0 21.0 38.3 83 83 A S - 0 0 10 24,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.929 56.3-114.6-174.1 148.2 -21.1 20.2 34.6 84 84 A L S S+ 0 0 18 -2,-0.3 2,-1.0 855,-0.1 3,-0.1 0.837 105.6 74.3 -64.9 -28.7 -19.5 21.4 31.4 85 85 A D > - 0 0 8 1,-0.2 4,-2.6 856,-0.1 3,-0.3 -0.733 69.8-164.9 -87.8 104.8 -22.9 22.7 30.3 86 86 A L H > S+ 0 0 3 -2,-1.0 4,-2.7 1071,-0.6 5,-0.2 0.904 88.6 55.2 -58.9 -43.3 -23.5 25.8 32.4 87 87 A N H > S+ 0 0 54 1070,-0.2 4,-2.4 853,-0.2 -1,-0.2 0.899 110.1 48.1 -53.7 -39.3 -27.3 25.8 31.6 88 88 A E H > S+ 0 0 19 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.956 109.3 51.3 -67.9 -46.7 -27.4 22.2 33.0 89 89 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.907 112.0 48.1 -53.4 -45.2 -25.4 23.1 36.1 90 90 A I H X S+ 0 0 26 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.938 110.7 50.0 -65.1 -45.9 -27.8 26.0 36.7 91 91 A E H X S+ 0 0 79 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.850 114.9 44.2 -59.4 -36.6 -30.9 23.8 36.2 92 92 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 -11,-0.2 5,-0.2 0.893 111.0 52.8 -80.5 -36.5 -29.6 21.2 38.6 93 93 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.946 113.9 43.6 -58.4 -48.1 -28.4 23.7 41.2 94 94 A K H X S+ 0 0 112 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.926 114.6 50.0 -63.1 -43.7 -31.9 25.2 41.3 95 95 A Y H X S+ 0 0 70 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.933 114.0 44.6 -62.3 -44.6 -33.6 21.8 41.2 96 96 A A H X>S+ 0 0 0 -4,-3.0 5,-2.1 2,-0.2 4,-0.6 0.849 113.0 50.9 -71.4 -35.3 -31.4 20.6 44.2 97 97 A T H ><5S+ 0 0 42 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 0.936 107.4 52.0 -63.5 -49.2 -31.9 23.9 46.1 98 98 A E H 3<5S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.743 106.5 57.8 -60.2 -22.9 -35.8 23.7 45.7 99 99 A L H 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.676 123.8-105.4 -74.9 -21.0 -35.4 20.1 47.1 100 100 A G T <<5 + 0 0 41 -3,-1.5 -3,-0.2 -4,-0.6 -23,-0.1 0.612 57.8 164.5 104.5 13.4 -33.7 21.4 50.3 101 101 A Y < - 0 0 7 -5,-2.1 -1,-0.2 1,-0.1 -23,-0.2 -0.379 37.8-135.2 -64.6 142.4 -30.0 20.5 49.8 102 102 A D S S- 0 0 31 -25,-1.9 31,-0.3 1,-0.2 2,-0.3 0.692 77.6 -0.3 -78.1 -20.5 -27.8 22.4 52.2 103 103 A A E -d 78 0A 0 -26,-1.0 -24,-2.9 29,-0.1 2,-0.3 -0.977 61.9-132.1-162.6 150.7 -25.2 23.4 49.7 104 104 A L E -de 79 134A 0 29,-3.5 31,-1.7 -2,-0.3 2,-0.3 -0.735 21.6-170.6 -98.5 158.4 -24.3 23.1 46.0 105 105 A S E -de 80 135A 0 -26,-2.5 -24,-2.8 -2,-0.3 -23,-1.0 -0.978 0.3-167.2-145.7 157.1 -20.8 22.1 44.8 106 106 A A E - e 0 136A 0 29,-1.6 31,-1.5 -2,-0.3 -26,-0.1 -0.981 20.2-120.4-151.0 126.6 -19.3 22.1 41.4 107 107 A V E - e 0 137A 0 -2,-0.4 -24,-0.3 29,-0.2 31,-0.2 -0.302 44.5 -92.3 -57.6 146.5 -16.2 20.6 39.7 108 108 A T - 0 0 0 29,-1.3 -1,-0.1 1,-0.1 37,-0.1 -0.405 52.8 -98.2 -48.8 122.5 -13.8 22.9 38.0 109 109 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.324 59.0 177.8 -47.0 135.5 -14.7 23.2 34.4 110 110 A F + 0 0 11 -3,-0.1 2,-2.3 3,-0.1 34,-0.1 -0.602 42.5 52.9-134.3-169.6 -12.4 20.8 32.5 111 111 A Y S S+ 0 0 12 32,-0.4 886,-0.0 917,-0.3 32,-0.0 -0.453 102.5 65.5 70.5 -68.9 -11.6 19.3 29.0 112 112 A Y S S- 0 0 8 -2,-2.3 2,-1.9 1,-0.1 916,-0.0 -0.514 96.8-111.2 -75.4 150.9 -11.1 22.8 27.5 113 113 A P - 0 0 107 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.474 46.2-173.5 -81.3 73.1 -8.3 25.1 28.7 114 114 A F - 0 0 20 -2,-1.9 1045,-0.1 -5,-0.1 2,-0.0 -0.437 23.1-118.8 -69.1 140.3 -10.5 27.6 30.4 115 115 A T > - 0 0 67 -2,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.322 28.5-107.8 -68.8 154.7 -8.8 30.8 31.7 116 116 A F H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.900 119.6 54.5 -49.7 -42.5 -9.1 31.4 35.5 117 117 A E H > S+ 0 0 95 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.881 107.3 52.4 -67.4 -31.4 -11.6 34.3 35.0 118 118 A E H > S+ 0 0 20 -3,-0.4 4,-1.3 2,-0.2 -1,-0.3 0.887 109.6 48.2 -61.6 -42.8 -13.8 31.9 33.1 119 119 A I H X S+ 0 0 14 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.917 111.4 51.4 -67.3 -43.3 -13.6 29.4 35.9 120 120 A R H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.935 110.6 46.5 -52.7 -56.0 -14.4 32.1 38.5 121 121 A D 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117.6 48.9 -70.3 -42.5 11.3 32.0 11.5 475 180 B A H < S+ 0 0 61 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.763 122.4 32.1 -71.7 -26.2 12.4 34.3 14.4 476 181 B F >< + 0 0 25 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 -0.600 67.8 159.9-129.4 70.4 16.2 33.4 14.1 477 182 B P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.729 76.2 43.6 -76.9 -14.9 16.8 32.8 10.4 478 183 B D T 3 S+ 0 0 93 2,-0.1 2,-0.2 -181,-0.0 -181,-0.2 0.295 93.3 98.0-109.6 3.6 20.6 33.3 10.5 479 184 B K S < S- 0 0 26 -3,-1.2 2,-0.4 -6,-0.1 -21,-0.2 -0.622 82.5-106.5 -84.4 155.2 21.2 31.4 13.7 480 185 B L E -q 458 0C 1 -23,-3.1 -21,-2.4 -2,-0.2 2,-0.5 -0.682 33.3-170.0 -87.2 129.7 22.3 27.8 13.5 481 186 B I E +q 459 0C 1 -2,-0.4 17,-2.7 -23,-0.2 18,-1.0 -0.945 6.9 177.8-122.9 115.9 19.8 25.0 14.3 482 187 B L E -qr 460 499C 0 -23,-2.4 -21,-3.5 -2,-0.5 18,-0.3 -0.952 20.7-141.2-112.4 127.5 20.9 21.4 14.6 483 188 B S E -qr 461 500C 0 16,-2.2 18,-2.6 -2,-0.5 -21,-0.2 -0.654 11.1-166.4 -89.9 146.7 18.2 18.8 15.5 484 189 B G + 0 0 12 -23,-2.3 2,-0.7 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0.695 105.0 63.7 -73.1 -14.9 11.6 20.2 6.2 495 200 B S T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.386 123.5-105.9 -85.5 6.1 11.4 22.6 9.2 496 201 B G T < 5 + 0 0 30 -3,-1.8 -3,-0.2 1,-0.2 -15,-0.2 0.764 56.0 169.0 83.8 27.3 14.7 24.1 7.9 497 202 B V < - 0 0 1 -5,-1.7 -1,-0.2 1,-0.1 -15,-0.2 -0.430 36.0-136.4 -67.9 150.2 17.2 22.8 10.4 498 203 B D S S- 0 0 21 -17,-2.7 -196,-1.8 1,-0.1 2,-0.3 0.506 73.0 -43.4 -86.0 -7.0 20.9 23.4 9.3 499 204 B G E -kr 302 482C 0 -18,-1.0 -16,-2.2 -198,-0.2 2,-0.3 -0.971 60.0-105.8 168.7-163.5 21.9 19.9 10.3 500 205 B A E -kr 303 483C 0 -198,-1.7 -196,-2.8 -18,-0.3 2,-0.4 -0.973 7.2-148.3-152.5 153.8 21.5 17.2 13.0 501 206 B I E +k 304 0C 0 -18,-2.6 2,-0.3 -2,-0.3 -196,-0.2 -0.999 32.7 167.3-129.1 131.1 23.5 15.6 15.8 502 207 B G E -k 305 0C 0 -198,-1.9 -196,-2.7 -2,-0.4 -163,-0.1 -0.999 45.9-148.8-152.8 148.1 22.8 12.0 16.6 503 208 B S S > S+ 0 0 10 -2,-0.3 3,-1.1 -198,-0.2 -195,-0.1 0.821 104.0 55.6 -79.0 -36.5 23.9 8.8 18.4 504 209 B T T >> S+ 0 0 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5,-0.5 0.939 110.0 49.7 -63.3 -46.6 20.0 10.6 2.2 515 220 B I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.977 114.1 45.9 -56.5 -53.3 17.0 11.5 4.4 516 221 B F H X S+ 0 0 8 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.830 120.6 37.6 -59.6 -39.1 18.5 15.1 4.9 517 222 B D H X S+ 0 0 57 -4,-2.3 4,-1.9 2,-0.2 6,-0.2 0.906 115.5 50.9 -80.1 -45.7 19.4 15.6 1.2 518 223 B L H <>S+ 0 0 42 -4,-3.6 5,-2.7 -5,-0.2 -2,-0.2 0.901 111.3 50.7 -58.2 -39.5 16.3 13.8 -0.4 519 224 B A H ><5S+ 0 0 1 -4,-2.6 3,-1.5 -5,-0.5 -1,-0.2 0.923 111.0 46.6 -66.1 -43.2 14.1 16.0 1.9 520 225 B R H 3<5S+ 0 0 139 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 109.7 55.2 -72.9 -22.9 15.7 19.3 0.9 521 226 B Q T 3<5S- 0 0 140 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.348 121.0-109.4 -85.0 6.3 15.6 18.3 -2.8 522 227 B G T < 5S+ 0 0 15 -3,-1.5 2,-1.0 1,-0.1 3,-0.3 0.616 81.0 130.2 73.7 13.5 11.8 17.7 -2.4 523 228 B Q >< + 0 0 104 -5,-2.7 4,-2.5 -6,-0.2 3,-0.4 -0.382 26.5 157.5 -85.6 54.4 12.0 13.9 -2.7 524 229 B I H > + 0 0 6 -2,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.853 63.5 52.0 -53.1 -44.8 9.8 13.8 0.4 525 230 B Q H > S+ 0 0 123 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.868 112.0 43.0 -63.1 -49.2 8.5 10.3 -0.2 526 231 B E H > S+ 0 0 44 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.878 114.8 52.1 -65.7 -38.4 11.8 8.6 -0.7 527 232 B A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 3,-0.3 0.934 109.1 50.1 -63.9 -40.2 13.2 10.5 2.3 528 233 B Y H >X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 3,-0.6 0.919 104.1 57.4 -67.9 -43.3 10.3 9.4 4.4 529 234 B Q H 3X S+ 0 0 112 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.858 105.7 51.6 -51.4 -36.0 10.8 5.7 3.4 530 235 B L H 3X S+ 0 0 28 -4,-1.4 4,-3.0 -3,-0.3 -1,-0.3 0.825 104.4 57.2 -73.4 -29.9 14.3 6.0 4.8 531 236 B Q H < S+ 0 0 81 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.854 103.9 57.0 -66.2 -39.0 16.2 1.8 22.2 543 248 B S H 3< S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.785 112.6 41.8 -65.3 -25.0 14.3 -1.3 23.4 544 249 B M T 3< S- 0 0 13 -4,-1.0 28,-0.4 -5,-0.1 -1,-0.2 0.505 132.7 -81.1-100.4 -6.8 17.7 -3.0 24.0 545 250 B G <> - 0 0 30 -3,-0.7 4,-2.1 -4,-0.5 5,-0.2 0.641 42.7-127.4 100.4 105.0 19.5 0.0 25.7 546 251 B I H > S+ 0 0 33 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.841 94.1 42.2 -62.1 -51.5 20.8 2.6 23.2 547 252 B Y H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.958 118.0 42.2 -69.7 -48.3 24.5 3.2 24.0 548 253 B P H > S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.937 117.3 50.7 -58.6 -39.6 25.7 -0.4 24.7 549 254 B T H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.907 109.3 47.4 -65.5 -45.2 23.6 -1.7 21.7 550 255 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.5 0.927 110.5 54.5 -60.1 -40.2 25.0 0.8 19.2 551 256 B K H X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.861 105.6 54.1 -63.4 -30.8 28.4 -0.1 20.6 552 257 B E H X S+ 0 0 35 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.819 102.0 55.0 -70.4 -33.9 27.6 -3.7 19.8 553 258 B I H X S+ 0 0 0 -4,-1.6 4,-0.7 -3,-0.5 -1,-0.2 0.883 109.6 50.1 -68.4 -37.1 26.8 -3.0 16.2 554 259 B L H ><>S+ 0 0 0 -4,-1.7 5,-1.7 2,-0.2 3,-1.1 0.895 102.2 58.3 -67.2 -41.3 30.2 -1.4 16.0 555 260 B R H ><5S+ 0 0 41 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.869 102.1 58.7 -55.9 -35.4 31.9 -4.5 17.6 556 261 B H H 3<5S+ 0 0 102 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.748 97.5 57.3 -63.6 -28.3 30.4 -6.5 14.7 557 262 B R T <<5S- 0 0 69 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.377 131.5 -97.8 -80.2 4.0 32.3 -4.2 12.2 558 263 B G T < 5S+ 0 0 63 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.650 78.3 144.4 89.6 20.7 35.5 -5.4 14.1 559 264 B I < - 0 0 20 -5,-1.7 2,-1.9 -8,-0.1 -1,-0.3 -0.698 59.2-120.9 -94.5 141.5 35.8 -2.3 16.4 560 265 B D + 0 0 90 -2,-0.3 -235,-0.1 1,-0.2 -239,-0.1 -0.539 45.0 165.5 -80.8 80.8 37.0 -2.6 20.0 561 266 B A - 0 0 1 -2,-1.9 -250,-0.3 1,-0.2 -1,-0.2 0.398 16.6-176.7 -90.4 1.1 33.8 -1.2 21.4 562 267 B G - 0 0 25 -252,-0.2 -1,-0.2 -3,-0.1 -250,-0.2 -0.007 33.0 -43.8 53.3-135.2 34.4 -2.2 25.0 563 268 B L B -T 311 0D 69 -252,-1.9 -252,-2.1 7,-0.1 2,-0.2 -0.860 47.4-105.3-132.1 155.7 31.8 -1.6 27.7 564 269 B P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 -249,-0.2 -0.502 46.8-103.4 -68.9 156.7 29.4 1.1 28.9 565 270 B K > - 0 0 2 -2,-0.2 3,-1.8 -250,-0.1 -252,-0.1 -0.736 55.4 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-1,-0.2 1,-0.2 -2,-0.2 0.673 112.3 43.5 -77.4 -15.7 -3.4 34.3 22.2 1135 249 D M H << S- 0 0 13 -4,-0.8 28,-0.4 -3,-0.7 -1,-0.2 0.479 132.3 -75.8-105.2 -2.1 -6.8 36.0 21.9 1136 250 D G S+ 0 0 35 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.851 94.5 40.9 -61.5 -47.2 -9.3 30.7 19.7 1138 252 D Y H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.954 118.3 44.0 -70.2 -48.5 -13.0 30.0 19.3 1139 253 D P H > S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.855 115.7 49.7 -64.0 -32.1 -14.3 33.5 19.9 1140 254 D T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 108.8 49.8 -74.7 -42.9 -11.6 35.0 17.7 1141 255 D L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.912 111.2 50.9 -59.4 -43.1 -12.1 32.7 14.8 1142 256 D K H X S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.860 107.2 54.4 -62.2 -35.1 -15.8 33.6 15.0 1143 257 D E H X S+ 0 0 21 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.915 105.2 52.4 -62.4 -44.0 -14.8 37.3 15.0 1144 258 D I H X S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.911 110.9 48.5 -54.1 -42.9 -12.8 36.8 11.8 1145 259 D L H ><>S+ 0 0 0 -4,-1.9 5,-1.4 1,-0.2 3,-0.9 0.870 106.2 56.9 -68.5 -32.9 -16.0 35.2 10.3 1146 260 D R H ><5S+ 0 0 112 -4,-1.8 3,-2.7 1,-0.3 -2,-0.2 0.907 98.0 60.0 -65.9 -42.7 -18.1 38.2 11.6 1147 261 D H H 3<5S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.684 99.3 61.2 -50.5 -25.8 -15.9 40.6 9.6 1148 262 D R T <<5S- 0 0 65 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.264 127.9 -99.1 -86.4 7.1 -17.1 38.6 6.6 1149 263 D G T < 5S+ 0 0 64 -3,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.611 79.6 139.7 88.6 13.1 -20.8 39.5 7.2 1150 264 D I < - 0 0 15 -5,-1.4 2,-2.4 -4,-0.1 -1,-0.3 -0.739 61.8-122.3 -95.4 139.1 -21.5 36.2 9.0 1151 265 D D + 0 0 89 -2,-0.4 -239,-0.1 1,-0.2 -235,-0.1 -0.410 45.4 162.5 -79.0 72.7 -23.7 36.1 12.1 1152 266 D A - 0 0 0 -2,-2.4 -250,-0.4 -10,-0.2 -1,-0.2 0.531 17.7-178.4 -77.6 -6.5 -21.1 34.5 14.2 1153 267 D G - 0 0 28 -252,-0.2 -1,-0.2 -3,-0.1 -250,-0.2 -0.029 34.5 -45.8 47.8-136.0 -22.7 35.4 17.6 1154 268 D L B -N 902 0H 69 -252,-2.9 -252,-1.9 7,-0.1 2,-0.2 -0.742 49.4 -99.8-129.1 163.9 -21.0 34.4 20.8 1155 269 D P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 -249,-0.1 -0.517 48.0-101.7 -73.4 156.2 -19.2 31.5 22.5 1156 270 D K > - 0 0 3 -2,-0.2 3,-2.1 -250,-0.1 -252,-0.1 -0.681 58.5 -79.9 -76.5 129.4 -21.2 29.5 25.0 1157 271 D R T 3 S+ 0 0 94 -2,-0.4 -1071,-0.6 1,-0.4 -1070,-0.2 -0.401 116.9 48.0 -61.6 145.8 -20.5 30.3 28.6 1158 272 D P T 3 S+ 0 0 8 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.975 103.6 82.1 -83.9 10.0 -18.4 29.7 30.6 1159 273 D F S < S- 0 0 17 -3,-2.1 -1045,-0.0 -1045,-0.1 -23,-0.0 -0.598 82.9-133.0 -63.9 136.0 -16.2 30.7 27.5 1160 274 D K - 0 0 79 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 -0.567 20.4-100.6 -87.8 155.4 -16.0 34.5 27.5 1161 275 D P - 0 0 80 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.177 55.3 -68.5 -66.3 165.8 -16.7 36.7 24.4 1162 276 D F - 0 0 22 -23,-0.2 2,-0.6 1,-0.1 -26,-0.1 -0.358 52.3-125.9 -53.3 127.0 -13.9 38.3 22.3 1163 277 D N > - 0 0 94 -28,-0.4 3,-2.3 1,-0.1 4,-0.1 -0.753 8.2-143.7 -83.1 118.5 -12.1 41.0 24.3 1164 278 D E G > S+ 0 0 116 -2,-0.6 3,-1.9 1,-0.3 4,-0.4 0.661 93.1 79.1 -55.0 -24.5 -12.1 44.3 22.5 1165 279 D A G 3 S+ 0 0 85 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.733 94.9 52.3 -58.7 -17.4 -8.6 45.1 23.8 1166 280 D H G <> S+ 0 0 54 -3,-2.3 4,-3.0 1,-0.1 -1,-0.3 0.495 81.6 96.2 -91.0 -9.8 -7.5 42.6 21.0 1167 281 D R H <> S+ 0 0 48 -3,-1.9 4,-3.5 2,-0.2 5,-0.2 0.875 81.5 48.1 -52.5 -49.8 -9.4 44.4 18.2 1168 282 D Q H > S+ 0 0 143 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.965 115.9 45.1 -57.6 -53.2 -6.5 46.5 16.8 1169 283 D T H > S+ 0 0 69 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.895 114.8 47.9 -57.7 -44.3 -4.2 43.5 16.7 1170 284 D L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 3,-0.2 0.925 109.2 53.6 -64.4 -43.2 -6.9 41.3 15.2 1171 285 D D H X S+ 0 0 78 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.896 108.2 51.7 -54.0 -43.9 -7.7 44.0 12.6 1172 286 D Q H X S+ 0 0 107 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.847 108.2 49.8 -65.4 -35.0 -4.0 44.1 11.6 1173 287 D L H X S+ 0 0 14 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.912 111.6 49.0 -69.1 -43.9 -3.8 40.3 11.2 1174 288 D I H X>S+ 0 0 15 -4,-2.3 5,-1.2 2,-0.2 4,-0.9 0.882 113.6 46.5 -62.4 -42.2 -6.9 40.4 9.0 1175 289 D A H ><5S+ 0 0 82 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.964 114.5 48.6 -63.8 -46.4 -5.3 43.3 6.9 1176 290 D K H 3<5S+ 0 0 139 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.835 124.2 26.7 -64.7 -37.5 -2.0 41.5 6.6 1177 291 D Y H 3<5S- 0 0 19 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.344 102.1-121.0-113.4 8.8 -3.3 38.0 5.5 1178 292 D D T <<5 0 0 140 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.937 360.0 360.0 51.8 55.2 -6.5 39.1 3.8 1179 293 D L < 0 0 17 -5,-1.2 -4,-0.1 -6,-0.2 -1,-0.1 0.461 360.0 360.0 -86.9 360.0 -8.7 37.0 6.1