==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-FEB-12 4AH7 . COMPND 2 MOLECULE: N-ACETYLNEURAMINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS NC . AUTHOR N.TIMMS,A.POYAKOVA,C.L.WINDLE,C.H.TRINH,A.NELSON,A.R.PEARSON . 1171 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 887 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 152 13.0 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 . 92 7.9 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 . 465 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.7 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 1 6 5 4 3 1 0 0 0 4 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 0 230 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.1 -30.9 28.6 60.2 2 2 A N - 0 0 131 1,-0.1 2,-0.1 100,-0.0 100,-0.0 -0.591 360.0-112.6 -87.4 146.0 -28.1 27.0 58.2 3 3 A K - 0 0 70 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.391 26.3-113.6 -67.7 143.1 -26.3 23.8 59.0 4 4 A D - 0 0 96 1,-0.1 -1,-0.1 -2,-0.1 72,-0.0 -0.776 26.7-156.9 -69.1 115.5 -22.7 23.6 60.0 5 5 A L + 0 0 19 -2,-0.7 -1,-0.1 97,-0.1 -2,-0.0 0.505 53.3 119.3 -78.4 -6.0 -21.3 21.8 57.0 6 6 A K + 0 0 100 198,-0.1 2,-0.3 2,-0.0 198,-0.2 -0.302 49.9 63.2 -55.1 140.2 -18.2 20.5 58.9 7 7 A G E S-a 204 0A 8 196,-1.6 198,-1.6 2,-0.0 2,-0.5 -0.892 82.5 -42.6 144.0-164.1 -18.1 16.7 59.0 8 8 A L E -a 205 0A 0 -2,-0.3 33,-2.1 196,-0.2 34,-1.2 -0.917 48.3-175.0-114.2 119.5 -17.7 13.4 57.2 9 9 A Y E -ab 206 42A 0 196,-3.0 198,-1.8 -2,-0.5 2,-0.5 -0.861 24.6-130.7-114.4 141.5 -19.5 12.6 53.9 10 10 A A E -ab 207 43A 0 32,-2.0 34,-3.0 -2,-0.4 2,-1.1 -0.772 22.5-133.2 -77.9 131.7 -19.9 9.7 51.6 11 11 A A E - b 0 44A 0 196,-2.3 34,-0.2 -2,-0.5 200,-0.2 -0.815 46.2-118.8 -75.3 103.3 -19.2 10.6 48.0 12 12 A L - 0 0 1 32,-2.2 34,-0.3 -2,-1.1 35,-0.3 -0.285 24.2-144.7 -67.5 125.7 -22.4 8.8 47.1 13 13 A L - 0 0 0 195,-0.1 37,-0.2 -2,-0.1 -1,-0.1 -0.473 10.2-147.4 -79.4 151.9 -22.2 5.8 44.7 14 14 A V - 0 0 0 35,-0.4 2,-0.3 -2,-0.1 10,-0.1 -0.991 3.4-144.5-127.9 129.2 -25.0 5.0 42.1 15 15 A P - 0 0 0 0, 0.0 8,-2.9 0, 0.0 2,-0.3 -0.750 20.6-170.3 -92.8 142.4 -26.2 1.6 40.9 16 16 A F B -IJ 22 268B 1 252,-2.0 252,-3.6 250,-0.4 6,-0.2 -0.793 17.1-124.9-124.6 165.2 -27.3 1.1 37.3 17 17 A D > - 0 0 67 4,-1.8 3,-2.3 -2,-0.3 6,-0.1 -0.407 51.4 -77.2 -98.2-176.4 -28.9 -1.6 35.1 18 18 A E T 3 S+ 0 0 63 1,-0.3 253,-0.1 -2,-0.2 -2,-0.0 0.700 130.9 50.7 -55.9 -25.9 -27.6 -3.1 31.9 19 19 A N T 3 S- 0 0 104 2,-0.1 -1,-0.3 251,-0.1 3,-0.1 0.176 119.5-103.2-102.6 11.7 -28.6 -0.0 29.9 20 20 A G S < S+ 0 0 5 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.685 74.0 142.9 77.9 18.4 -27.0 2.6 32.2 21 21 A Q - 0 0 79 1,-0.1 -4,-1.8 -4,-0.0 -1,-0.3 -0.710 58.5 -98.4 -91.8 141.7 -30.3 3.6 33.8 22 22 A V B -I 16 0B 13 -2,-0.3 2,-1.0 -6,-0.2 -6,-0.2 -0.360 23.0-141.7 -60.1 127.8 -30.4 4.5 37.4 23 23 A N > - 0 0 25 -8,-2.9 4,-2.1 1,-0.2 5,-0.2 -0.826 19.9-170.4 -88.3 99.0 -31.6 1.8 39.8 24 24 A E H > S+ 0 0 76 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.810 78.0 51.1 -66.3 -37.6 -33.6 3.9 42.2 25 25 A Q H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 113.7 44.8 -71.9 -39.8 -34.3 1.3 44.9 26 26 A G H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.880 110.2 55.3 -62.7 -37.7 -30.6 0.4 45.2 27 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.915 107.5 50.1 -64.3 -40.2 -29.6 4.1 45.1 28 28 A K H X S+ 0 0 104 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 110.5 49.4 -61.2 -45.8 -31.9 4.5 48.1 29 29 A Q H X S+ 0 0 63 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.899 110.9 50.5 -61.0 -43.1 -30.3 1.5 49.9 30 30 A I H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.900 111.3 47.5 -61.2 -40.7 -26.8 3.0 49.2 31 31 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.913 114.5 46.6 -72.4 -37.8 -27.9 6.4 50.6 32 32 A Q H X>S+ 0 0 65 -4,-2.7 4,-3.3 1,-0.2 5,-0.7 0.893 107.8 56.3 -67.9 -39.3 -29.4 4.8 53.7 33 33 A N H X>S+ 0 0 9 -4,-2.8 5,-3.0 1,-0.2 4,-0.6 0.922 106.1 51.8 -56.1 -44.2 -26.3 2.6 54.2 34 34 A A H <5S+ 0 0 0 -4,-1.7 6,-1.9 3,-0.2 -1,-0.2 0.858 121.1 31.3 -63.7 -38.1 -24.0 5.7 54.3 35 35 A I H <5S+ 0 0 30 -4,-1.2 4,-0.4 4,-0.2 -2,-0.2 0.931 130.8 30.5 -88.4 -53.1 -26.1 7.4 56.9 36 36 A E H <5S+ 0 0 128 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.968 132.5 27.1 -77.3 -52.1 -27.5 4.6 59.0 37 37 A T T < >S- 0 0 0 -3,-0.4 3,-1.5 -35,-0.3 5,-1.4 -0.314 74.8 -77.7 -90.6-175.6 -19.7 13.8 42.4 48 48 A S G > 5S+ 0 0 2 1,-0.3 3,-1.6 3,-0.2 5,-0.2 0.932 132.0 59.1 -49.1 -46.6 -17.0 11.9 40.5 49 49 A S G 3 5S+ 0 0 2 1,-0.3 -35,-0.4 2,-0.2 -1,-0.3 0.654 94.6 60.5 -57.8 -25.0 -17.9 8.9 42.6 50 50 A G G < 5S- 0 0 0 -3,-1.5 -1,-0.3 -37,-0.2 -2,-0.2 0.234 113.5-116.8 -86.9 16.9 -21.6 8.8 41.5 51 51 A E T X 5 + 0 0 0 -3,-1.6 3,-1.9 1,-0.1 4,-0.2 0.818 63.2 158.6 50.8 30.7 -20.3 8.3 37.9 52 52 A N G > < + 0 0 1 -5,-1.4 3,-1.8 1,-0.3 -4,-0.1 0.790 59.6 61.5 -54.3 -37.4 -22.0 11.7 37.5 53 53 A F G 3 S+ 0 0 20 1,-0.3 -1,-0.3 -5,-0.2 912,-0.2 0.576 99.4 58.3 -74.9 -7.3 -20.0 12.8 34.4 54 54 A L G < S+ 0 0 0 -3,-1.9 -1,-0.3 912,-0.1 914,-0.2 0.409 94.8 94.3 -89.3 -7.7 -21.5 9.8 32.6 55 55 A L < - 0 0 9 -3,-1.8 2,-0.2 -4,-0.2 911,-0.1 -0.448 67.9-130.3 -95.8 157.6 -25.0 10.9 33.2 56 56 A N > - 0 0 45 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.572 39.8 -99.2 -90.1 165.6 -27.7 13.0 31.3 57 57 A T H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 123.0 52.2 -49.7 -46.4 -29.6 15.9 32.9 58 58 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.952 111.0 49.3 -59.2 -45.4 -32.7 13.8 33.6 59 59 A Q H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 106.7 53.3 -58.7 -45.9 -30.5 11.2 35.4 60 60 A K H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.936 110.5 48.9 -58.6 -41.3 -28.7 13.8 37.5 61 61 A K H X S+ 0 0 54 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.943 108.1 53.8 -58.8 -50.1 -32.1 15.1 38.7 62 62 A Q H X S+ 0 0 49 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.881 110.3 47.1 -49.7 -46.9 -33.3 11.6 39.5 63 63 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.888 110.4 52.2 -69.1 -40.0 -30.2 11.0 41.7 64 64 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.948 114.2 43.7 -59.5 -42.4 -30.6 14.4 43.4 65 65 A K H X S+ 0 0 79 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.885 113.7 47.2 -73.8 -44.7 -34.2 13.5 44.3 66 66 A V H X S+ 0 0 12 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.945 112.0 51.5 -62.1 -47.2 -33.7 9.9 45.4 67 67 A A H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 3,-0.4 0.932 112.8 45.6 -57.8 -47.3 -30.7 10.8 47.6 68 68 A K H >< S+ 0 0 51 -4,-1.9 3,-1.2 -5,-0.3 -1,-0.2 0.944 112.3 49.4 -63.9 -47.7 -32.7 13.6 49.3 69 69 A E H 3< S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.745 105.7 61.8 -62.5 -20.8 -35.9 11.5 49.9 70 70 A A H 3< S+ 0 0 6 -4,-1.6 2,-0.2 -3,-0.4 -1,-0.2 0.664 99.3 55.7 -81.9 -17.3 -33.7 8.7 51.3 71 71 A V S << S- 0 0 19 -3,-1.2 -39,-0.1 -4,-0.6 -40,-0.0 -0.743 83.1-101.2-119.9 163.6 -32.3 10.6 54.4 72 72 A G > - 0 0 47 -2,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.116 38.4-102.9 -73.3 174.5 -33.6 12.5 57.4 73 73 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.660 117.5 63.1 -76.6 -13.5 -33.7 16.2 57.7 74 74 A K T 3 S+ 0 0 84 2,-0.1 -1,-0.2 -71,-0.0 2,-0.0 0.795 80.5 103.7 -75.8 -26.7 -30.7 16.3 60.0 75 75 A V S < S- 0 0 16 -3,-0.6 2,-0.3 1,-0.1 -33,-0.2 -0.266 74.3-125.1 -69.0 133.2 -28.4 14.9 57.2 76 76 A K E -c 42 0A 38 -35,-2.8 -33,-2.1 25,-0.1 2,-0.5 -0.607 28.5-165.6 -80.5 134.1 -26.0 17.3 55.5 77 77 A L E -c 43 0A 3 -2,-0.3 25,-1.7 -35,-0.2 26,-1.1 -0.961 10.2-174.8-130.6 115.7 -26.5 17.3 51.7 78 78 A I E -cd 44 103A 0 -35,-2.6 -33,-3.1 -2,-0.5 2,-0.6 -0.952 16.0-145.6-111.5 131.5 -24.1 18.9 49.2 79 79 A A E -cd 45 104A 0 24,-2.9 26,-2.9 -2,-0.5 2,-0.7 -0.829 0.8-151.1-100.1 113.8 -25.0 18.9 45.5 80 80 A Q E + d 0 105A 0 -35,-3.0 26,-0.2 -2,-0.6 24,-0.0 -0.743 30.5 156.4 -83.7 115.5 -22.3 18.5 42.8 81 81 A V + 0 0 1 24,-3.3 25,-0.2 -2,-0.7 12,-0.2 0.278 18.9 136.8-123.8 1.4 -23.6 20.4 39.8 82 82 A G + 0 0 0 23,-0.8 2,-0.3 10,-0.1 26,-0.1 -0.282 24.3 152.5 -53.9 138.6 -20.3 21.2 38.0 83 83 A S - 0 0 9 24,-0.2 -2,-0.1 1,-0.1 852,-0.1 -0.936 56.8-118.5-166.3 156.7 -20.7 20.5 34.3 84 84 A L S S+ 0 0 18 -2,-0.3 2,-0.9 850,-0.2 3,-0.1 0.799 103.8 75.8 -75.9 -32.1 -19.1 21.8 31.2 85 85 A D > - 0 0 7 1,-0.2 4,-3.0 851,-0.1 5,-0.2 -0.754 67.3-168.3 -78.9 99.4 -22.6 23.1 30.2 86 86 A L H > S+ 0 0 1 -2,-0.9 4,-2.7 1066,-0.5 5,-0.2 0.875 87.5 55.9 -58.6 -44.1 -23.1 26.2 32.3 87 87 A N H > S+ 0 0 46 1065,-0.3 4,-2.7 848,-0.2 -1,-0.2 0.940 112.1 43.1 -52.4 -48.8 -26.8 26.3 31.4 88 88 A E H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.913 110.6 55.4 -65.8 -43.5 -27.1 22.7 32.7 89 89 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.911 111.5 45.5 -54.3 -40.0 -25.0 23.5 35.7 90 90 A I H X S+ 0 0 22 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.960 110.6 50.7 -72.1 -49.6 -27.5 26.3 36.5 91 91 A E H X S+ 0 0 82 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 115.3 45.0 -52.0 -43.1 -30.6 24.3 35.9 92 92 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.889 110.9 53.0 -67.1 -43.0 -29.2 21.5 38.2 93 93 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.908 112.6 44.6 -59.8 -42.1 -28.1 24.1 40.8 94 94 A K H X S+ 0 0 108 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.919 111.9 52.4 -67.0 -43.6 -31.6 25.5 40.9 95 95 A Y H X S+ 0 0 60 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.910 113.6 43.4 -59.1 -39.4 -33.2 22.1 41.0 96 96 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.8 0.882 112.1 52.5 -76.9 -40.7 -31.0 21.0 44.0 97 97 A T H ><5S+ 0 0 45 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.962 109.8 49.3 -54.0 -50.8 -31.5 24.3 45.8 98 98 A E H 3<5S+ 0 0 93 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.866 107.2 55.8 -61.2 -34.6 -35.3 23.8 45.4 99 99 A L H 3<5S- 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.716 122.7-111.5 -63.4 -20.7 -34.8 20.3 46.8 100 100 A G T <<5 + 0 0 34 -3,-1.6 -3,-0.2 -4,-0.8 -23,-0.1 0.716 53.1 169.2 91.1 23.5 -33.3 21.9 49.8 101 101 A Y < - 0 0 7 -5,-2.5 -1,-0.2 1,-0.1 -23,-0.2 -0.462 36.4-132.5 -61.3 140.7 -29.6 20.8 49.4 102 102 A D S S+ 0 0 43 -25,-1.7 31,-0.4 1,-0.2 2,-0.3 0.690 78.7 2.1 -75.8 -20.5 -27.4 22.8 51.9 103 103 A A E -d 78 0A 0 -26,-1.1 -24,-2.9 29,-0.1 2,-0.3 -0.982 63.9-128.6-159.5 150.9 -24.8 23.8 49.4 104 104 A L E -de 79 134A 0 29,-3.3 31,-2.2 -2,-0.3 2,-0.3 -0.718 22.5-166.3 -90.2 155.9 -23.8 23.5 45.7 105 105 A S E -de 80 135A 0 -26,-2.9 -24,-3.3 -2,-0.3 -23,-0.8 -0.977 1.7-167.7-135.5 153.2 -20.4 22.2 44.6 106 106 A A E - e 0 136A 0 29,-2.0 31,-1.7 -2,-0.3 -26,-0.1 -0.930 20.6-128.7-148.3 122.3 -18.8 22.4 41.2 107 107 A V E - e 0 137A 1 -2,-0.4 -24,-0.2 29,-0.2 31,-0.2 -0.335 46.5 -96.4 -51.4 140.7 -15.7 20.8 39.6 108 108 A T - 0 0 0 29,-1.3 -1,-0.1 1,-0.1 37,-0.1 -0.520 52.2 -94.7 -57.7 131.0 -13.4 23.3 37.9 109 109 A P + 0 0 1 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.236 57.9 179.0 -46.6 131.3 -14.3 23.4 34.2 110 110 A F + 0 0 8 -3,-0.1 2,-1.8 3,-0.1 34,-0.1 -0.581 43.6 52.1-130.6-167.4 -11.9 21.1 32.3 111 111 A Y S S+ 0 0 12 32,-0.4 881,-0.0 912,-0.3 32,-0.0 -0.583 100.1 66.0 69.0 -78.0 -11.2 19.7 28.8 112 112 A Y S S- 0 0 6 -2,-1.8 2,-2.3 1,-0.1 911,-0.0 -0.433 98.8-111.6 -66.7 144.7 -10.9 23.2 27.2 113 113 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.347 48.8-168.2 -74.8 65.2 -7.9 25.3 28.4 114 114 A F - 0 0 21 -2,-2.3 2,-0.1 1,-0.1 1040,-0.1 -0.165 19.6-114.1 -56.6 146.8 -10.1 27.8 30.2 115 115 A T > - 0 0 71 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.391 21.9-119.9 -67.1 147.7 -8.8 31.1 31.5 116 116 A F H > S+ 0 0 41 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.943 118.3 53.9 -58.3 -43.0 -8.8 31.6 35.2 117 117 A E H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 110.7 50.1 -54.6 -40.3 -11.1 34.7 34.7 118 118 A E H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 109.7 47.7 -65.1 -40.1 -13.3 32.2 32.9 119 119 A I H X S+ 0 0 12 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.943 111.5 52.5 -68.3 -41.6 -13.2 29.6 35.6 120 120 A R H X S+ 0 0 52 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.915 109.3 47.7 -57.3 -47.0 -14.0 32.3 38.2 121 121 A D H X S+ 0 0 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19.0 1134 253 D P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.898 116.8 49.7 -61.7 -37.2 -14.1 33.7 19.7 1135 254 D T H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 110.2 50.2 -66.4 -42.2 -11.3 35.4 17.8 1136 255 D L H X S+ 0 0 0 -4,-3.0 4,-1.3 -5,-0.2 -1,-0.2 0.922 111.3 49.4 -61.3 -41.7 -11.8 33.1 14.8 1137 256 D K H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.3 3,-0.2 0.897 105.9 56.2 -64.9 -38.4 -15.5 34.0 15.0 1138 257 D E H X S+ 0 0 20 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.862 104.8 54.2 -58.5 -37.0 -14.6 37.7 15.1 1139 258 D I H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.850 110.0 45.8 -62.3 -35.0 -12.6 37.2 11.8 1140 259 D L H ><>S+ 0 0 0 -4,-1.3 5,-1.7 -3,-0.2 3,-1.1 0.841 105.3 59.7 -80.4 -29.4 -15.7 35.7 10.2 1141 260 D R H ><5S+ 0 0 125 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.871 98.4 61.5 -63.4 -39.4 -17.9 38.5 11.5 1142 261 D H T 3<5S+ 0 0 104 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 97.2 57.4 -54.1 -28.9 -15.6 40.8 9.6 1143 262 D R T < 5S- 0 0 67 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.459 131.4 -93.4 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2,-0.2 -0.974 104.0 81.0 -78.9 5.9 -17.9 30.0 30.3 1154 273 D F S < S- 0 0 20 -3,-2.0 -1040,-0.0 -1040,-0.1 -23,-0.0 -0.583 83.6-129.5 -66.4 139.0 -15.9 31.2 27.3 1155 274 D K - 0 0 78 -2,-0.2 3,-0.1 1,-0.1 -4,-0.1 -0.647 22.7-103.2 -88.0 144.9 -15.7 35.0 27.3 1156 275 D P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.239 58.3 -70.7 -55.7 156.1 -16.6 37.1 24.3 1157 276 D F - 0 0 22 -23,-0.2 2,-0.6 1,-0.1 -26,-0.1 -0.198 54.5-118.1 -39.7 131.6 -13.7 38.5 22.3 1158 277 D N > - 0 0 94 -28,-0.4 3,-3.2 1,-0.1 4,-0.3 -0.751 9.6-144.2 -85.3 117.6 -12.0 41.3 24.3 1159 278 D E G > S+ 0 0 117 -2,-0.6 3,-2.3 1,-0.3 4,-0.4 0.800 96.4 75.4 -48.4 -33.6 -12.1 44.7 22.5 1160 279 D A G 3 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.675 96.1 50.0 -55.5 -14.6 -8.6 45.4 23.8 1161 280 D H G <> S+ 0 0 62 -3,-3.2 4,-2.6 1,-0.1 -1,-0.3 0.499 82.2 96.5 -98.1 -7.4 -7.4 43.0 21.1 1162 281 D R H <> S+ 0 0 52 -3,-2.3 4,-3.5 -4,-0.3 5,-0.2 0.879 80.3 50.1 -59.2 -44.5 -9.3 44.5 18.2 1163 282 D Q H > S+ 0 0 152 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.974 113.0 46.9 -57.5 -51.2 -6.5 46.7 16.8 1164 283 D T H > S+ 0 0 73 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.924 114.0 49.4 -58.8 -37.9 -4.1 43.8 16.8 1165 284 D L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.953 110.3 50.7 -65.6 -47.3 -6.8 41.6 15.2 1166 285 D D H X S+ 0 0 75 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.905 108.4 51.8 -56.3 -42.1 -7.5 44.3 12.5 1167 286 D Q H X S+ 0 0 119 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.919 110.3 48.7 -62.3 -42.3 -3.8 44.5 11.7 1168 287 D L H X S+ 0 0 13 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.932 111.6 48.1 -60.6 -48.0 -3.7 40.7 11.2 1169 288 D I H X>S+ 0 0 9 -4,-2.5 5,-1.8 1,-0.2 4,-1.1 0.937 115.5 46.3 -60.6 -48.6 -6.7 40.6 9.0 1170 289 D A H <5S+ 0 0 80 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.2 0.905 112.2 50.4 -61.2 -42.7 -5.3 43.5 6.9 1171 290 D K H <5S+ 0 0 143 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.833 124.4 26.5 -70.0 -30.2 -1.9 41.9 6.7 1172 291 D Y H <5S- 0 0 17 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.312 105.0-119.4-114.6 8.9 -3.0 38.5 5.5 1173 292 D D T <5 0 0 143 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.935 360.0 360.0 50.3 58.9 -6.2 39.6 3.8 1174 293 D L < 0 0 17 -5,-1.8 -4,-0.1 -6,-0.1 -1,-0.1 0.454 360.0 360.0 -88.4 360.0 -8.4 37.5 6.0