==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-NOV-06 2NUW . COMPND 2 MOLECULE: 2-KETO-3-DEOXYGLUCONATE/2-KETO-3-DEOXY-6-PHOSPHO . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS DSM 639; . AUTHOR A.VAN EERDE,B.W.DIJKSTRA . 576 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 2 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 . 35 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 0 0 0 0 2 3 3 4 2 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 10 2 2 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 2 0 0 0 0 0 2 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 M 0 0 66 0, 0.0 2,-0.4 0, 0.0 190,-0.3 0.000 360.0 360.0 360.0 94.6 4.3 85.8 25.5 2 2 A E E -a 191 0A 57 188,-2.2 190,-2.3 32,-0.0 2,-0.7 -0.800 360.0-148.1-101.9 142.9 3.6 82.4 26.8 3 3 A I E -a 192 0A 0 -2,-0.4 32,-2.6 30,-0.2 33,-1.0 -0.930 19.0-174.2-112.2 110.5 0.3 81.4 28.5 4 4 A I E -ab 193 36A 1 188,-2.7 190,-0.9 -2,-0.7 33,-0.2 -0.867 12.9-145.3-106.6 136.3 0.9 78.7 31.1 5 5 A S E - b 0 37A 0 31,-2.6 33,-2.9 -2,-0.4 2,-1.4 -0.893 7.7-150.9-104.3 122.9 -2.0 77.1 32.9 6 6 A P E - b 0 38A 3 0, 0.0 33,-0.2 0, 0.0 192,-0.2 -0.787 38.4-144.3 -84.1 93.0 -1.7 76.0 36.6 7 7 A I - 0 0 3 -2,-1.4 33,-0.4 31,-1.1 34,-0.3 -0.346 3.8-117.6 -68.1 141.6 -4.2 73.3 36.0 8 8 A I - 0 0 0 187,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.282 19.2-125.2 -68.2 160.1 -6.8 72.3 38.6 9 9 A T - 0 0 2 34,-0.5 2,-0.3 30,-0.0 10,-0.1 -0.943 25.3-140.6-106.4 107.2 -6.8 68.8 40.1 10 10 A P - 0 0 0 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.544 22.6-173.8 -67.8 134.3 -10.3 67.3 39.6 11 11 A F B -IJ 17 256B 1 245,-1.3 245,-2.4 243,-0.5 6,-0.2 -0.899 18.7-128.6-121.4 156.5 -11.6 65.3 42.6 12 12 A D > - 0 0 49 4,-2.4 3,-1.9 -2,-0.3 6,-0.0 -0.357 44.8 -85.9 -89.2-178.6 -14.7 63.2 43.0 13 13 A K T 3 S+ 0 0 134 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.683 128.3 55.6 -66.6 -18.1 -17.1 63.6 46.0 14 14 A Q T 3 S- 0 0 142 2,-0.1 -1,-0.3 244,-0.0 244,-0.0 0.354 121.1-104.3 -93.1 2.2 -15.0 61.2 48.1 15 15 A G S < S+ 0 0 12 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.745 76.1 136.5 81.9 24.0 -11.8 63.3 47.6 16 16 A K - 0 0 147 1,-0.0 -4,-2.4 -4,-0.0 -1,-0.3 -0.862 61.2-106.3-102.5 138.4 -10.1 61.0 45.1 17 17 A V B -I 11 0B 23 -2,-0.4 2,-0.8 -6,-0.2 -6,-0.3 -0.369 22.8-145.6 -64.2 134.9 -8.4 62.5 42.0 18 18 A N > + 0 0 58 -8,-2.6 4,-1.5 1,-0.1 -1,-0.1 -0.881 19.2 179.7-100.6 97.3 -10.4 62.0 38.8 19 19 A V H > S+ 0 0 50 -2,-0.8 4,-2.1 2,-0.2 5,-0.2 0.758 77.3 60.6 -74.7 -23.1 -7.6 61.5 36.2 20 20 A D H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 107.4 45.0 -66.0 -46.0 -10.0 61.1 33.3 21 21 A A H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.870 110.4 56.0 -62.1 -39.3 -11.5 64.5 33.9 22 22 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.922 108.9 45.9 -59.0 -45.8 -7.9 65.9 34.2 23 23 A K H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.883 112.0 50.9 -66.4 -40.7 -6.9 64.6 30.8 24 24 A T H X S+ 0 0 72 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.927 112.7 46.8 -60.7 -46.4 -10.1 65.9 29.2 25 25 A H H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.930 111.0 50.9 -62.3 -48.3 -9.5 69.3 30.7 26 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.917 108.9 51.7 -57.3 -48.0 -5.8 69.4 29.7 27 27 A K H X S+ 0 0 115 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 109.9 49.5 -56.6 -43.1 -6.7 68.5 26.0 28 28 A N H X S+ 0 0 24 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.915 110.8 49.4 -61.9 -45.1 -9.3 71.3 25.9 29 29 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 -2,-0.2 0.905 113.1 46.6 -61.2 -44.3 -6.8 73.9 27.2 30 30 A L H ><5S+ 0 0 38 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.886 109.3 53.3 -67.0 -41.8 -4.1 72.9 24.8 31 31 A E H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.796 107.3 54.7 -60.5 -30.8 -6.5 72.9 21.8 32 32 A K T 3<5S- 0 0 80 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.397 130.6 -90.2 -86.3 2.1 -7.5 76.4 22.8 33 33 A G T < 5 + 0 0 25 -3,-1.4 -30,-0.2 1,-0.3 -3,-0.2 0.568 66.7 155.9 108.2 7.3 -3.9 77.6 22.8 34 34 A I < - 0 0 1 -5,-2.2 -1,-0.3 1,-0.1 -30,-0.2 -0.491 30.9-152.7 -65.8 134.6 -2.3 77.1 26.2 35 35 A D - 0 0 52 -32,-2.6 2,-0.3 1,-0.2 -31,-0.2 0.753 66.6 -5.7 -84.4 -29.4 1.4 76.9 25.8 36 36 A A E -b 4 0A 3 -33,-1.0 -31,-2.6 2,-0.0 2,-0.5 -0.973 61.9-126.0-160.7 160.6 2.3 74.8 28.8 37 37 A I E -bc 5 68A 0 30,-2.8 32,-2.5 -2,-0.3 2,-0.6 -0.970 12.5-149.9-119.5 125.0 0.7 73.2 31.9 38 38 A F E > -bc 6 69A 0 -33,-2.9 -31,-1.1 -2,-0.5 3,-0.5 -0.888 22.7-148.0 -94.1 117.4 2.1 73.8 35.4 39 39 A V E 3 + c 0 70A 1 30,-3.1 32,-2.5 -2,-0.6 -31,-0.1 -0.791 69.0 3.8-100.2 126.8 1.3 70.7 37.4 40 40 A N T 3 S+ 0 0 1 -2,-0.4 -1,-0.2 -33,-0.4 33,-0.1 0.778 86.3 148.5 71.3 31.2 0.5 70.8 41.2 41 41 A G S < >S- 0 0 0 -3,-0.5 5,-2.6 -34,-0.3 3,-0.5 -0.161 71.1 -81.7 -75.2-175.3 0.7 74.5 41.5 42 42 A T T > 5S+ 0 0 6 1,-0.2 3,-2.1 3,-0.2 6,-0.1 0.917 135.1 53.9 -54.7 -41.9 -1.5 76.3 44.1 43 43 A T T 3 5S+ 0 0 14 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.819 106.5 51.8 -64.5 -31.7 -4.4 76.1 41.7 44 44 A G T 3 5S- 0 0 0 -3,-0.5 -1,-0.3 -36,-0.3 -2,-0.2 0.286 121.2-111.1 -85.2 10.4 -3.9 72.4 41.4 45 45 A L T X>5 + 0 0 0 -3,-2.1 3,-1.9 -4,-0.1 4,-0.7 0.730 53.8 172.8 63.7 29.5 -4.0 72.2 45.2 46 46 A G G >4< + 0 0 0 -5,-2.6 3,-1.8 1,-0.3 -4,-0.1 0.760 69.3 43.0 -32.5 -68.4 -0.3 71.3 45.3 47 47 A P G 34 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 317,-0.2 0.718 112.5 57.2 -58.7 -22.5 0.5 71.4 49.1 48 48 A A G <4 S+ 0 0 8 -3,-1.9 2,-0.3 -6,-0.1 -2,-0.2 0.568 90.9 90.8 -82.8 -12.0 -2.7 69.5 49.7 49 49 A L S << S- 0 0 7 -3,-1.8 315,-0.0 -4,-0.7 316,-0.0 -0.659 76.4-127.3 -89.3 139.2 -1.7 66.6 47.4 50 50 A S > - 0 0 56 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.276 33.2-101.2 -72.3 168.4 0.2 63.6 48.8 51 51 A K H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 125.6 49.8 -57.8 -44.5 3.4 62.6 47.1 52 52 A D H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 109.1 51.9 -65.3 -36.3 1.6 59.8 45.3 53 53 A E H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 108.7 50.2 -66.2 -39.1 -1.1 62.2 44.1 54 54 A K H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.905 112.5 48.4 -62.7 -43.2 1.5 64.7 42.7 55 55 A R H X S+ 0 0 70 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.927 110.8 49.9 -61.2 -49.0 3.1 61.8 40.9 56 56 A Q H X S+ 0 0 95 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.805 105.3 56.5 -64.2 -32.0 -0.2 60.5 39.5 57 57 A N H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.907 110.7 45.4 -62.0 -43.7 -1.2 64.0 38.2 58 58 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.929 111.3 52.5 -66.5 -46.4 2.1 64.1 36.2 59 59 A N H < S+ 0 0 48 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.905 112.4 44.8 -54.8 -45.5 1.6 60.5 34.9 60 60 A A H >< S+ 0 0 8 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.946 114.8 46.6 -64.4 -48.8 -1.9 61.3 33.7 61 61 A L H >X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.3 3,-2.0 0.838 102.3 66.4 -66.4 -29.1 -1.0 64.6 32.0 62 62 A Y T 3< S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.680 91.9 62.3 -65.9 -18.4 2.1 62.9 30.4 63 63 A D T <4 S+ 0 0 122 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.582 113.5 35.4 -79.6 -9.8 -0.4 60.8 28.4 64 64 A V T <4 S+ 0 0 42 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.765 123.8 3.6-109.0 -38.8 -1.6 64.1 26.8 65 65 A T < - 0 0 16 -4,-2.2 -1,-0.3 1,-0.1 3,-0.1 -0.982 39.1-145.3-152.8 157.0 1.3 66.5 26.4 66 66 A H S S+ 0 0 117 -2,-0.3 2,-2.2 1,-0.1 27,-0.4 0.522 81.1 96.0 -95.8 -12.3 5.1 67.0 26.9 67 67 A K + 0 0 53 25,-0.1 -30,-2.8 26,-0.1 2,-0.4 -0.360 58.2 135.8 -83.3 64.3 4.6 70.6 27.8 68 68 A L E -c 37 0A 0 -2,-2.2 25,-1.7 -32,-0.2 26,-1.4 -0.918 42.2-164.6-121.4 134.7 4.6 70.0 31.6 69 69 A I E -cd 38 94A 2 -32,-2.5 -30,-3.1 -2,-0.4 2,-0.7 -0.982 25.0-146.0-113.0 118.7 6.3 71.9 34.5 70 70 A F E -cd 39 95A 0 24,-2.5 26,-2.8 -2,-0.5 2,-0.5 -0.804 6.3-156.9 -97.0 112.5 6.2 69.5 37.6 71 71 A Q E + d 0 96A 0 -32,-2.5 26,-0.2 -2,-0.7 24,-0.0 -0.754 18.2 169.6 -90.0 128.9 5.8 71.2 41.0 72 72 A V + 0 0 0 24,-2.5 25,-0.2 -2,-0.5 11,-0.2 0.318 18.2 143.5-126.0 6.6 7.1 68.9 43.8 73 73 A G + 0 0 0 23,-0.3 2,-0.3 -33,-0.1 26,-0.1 -0.141 12.7 143.6 -61.4 139.2 7.3 71.0 47.0 74 74 A S - 0 0 18 24,-0.2 6,-0.1 27,-0.0 263,-0.1 -0.956 59.5 -98.6-159.7 172.7 6.5 69.5 50.4 75 75 A L S S+ 0 0 9 -2,-0.3 2,-0.4 261,-0.2 475,-0.2 0.208 106.1 66.6 -86.0 16.4 7.6 69.9 54.0 76 76 A N >> - 0 0 14 1,-0.1 4,-1.7 473,-0.1 3,-1.1 -0.893 67.0-159.1-136.0 108.6 9.8 66.7 53.9 77 77 A L H 3> S+ 0 0 11 471,-2.6 4,-2.6 -2,-0.4 5,-0.1 0.759 91.1 64.0 -59.4 -26.2 12.8 67.1 51.5 78 78 A N H 3> S+ 0 0 73 470,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.895 105.3 45.4 -63.5 -39.9 13.1 63.2 51.3 79 79 A D H <> S+ 0 0 44 -3,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.903 111.1 52.7 -69.2 -43.0 9.6 63.2 49.6 80 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 3,-0.2 0.934 108.9 50.7 -55.5 -46.6 10.6 66.1 47.3 81 81 A M H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.827 105.1 55.9 -65.2 -32.9 13.7 64.2 46.3 82 82 A E H X S+ 0 0 87 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.870 109.6 46.8 -64.6 -39.0 11.7 61.0 45.5 83 83 A L H X S+ 0 0 3 -4,-1.7 4,-2.4 -3,-0.2 -2,-0.2 0.865 110.3 52.8 -71.5 -34.0 9.6 63.1 43.1 84 84 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 39,-0.2 0.957 110.9 46.3 -62.6 -50.7 12.7 64.7 41.5 85 85 A K H X S+ 0 0 124 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.882 111.9 52.5 -60.6 -38.9 14.2 61.3 40.9 86 86 A F H >< S+ 0 0 31 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.948 111.3 45.5 -59.4 -47.9 10.9 60.0 39.5 87 87 A S H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 5,-0.3 0.703 94.9 77.1 -74.4 -18.0 10.6 63.0 37.0 88 88 A N H 3< S+ 0 0 34 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.787 92.9 53.8 -60.7 -26.4 14.2 62.6 36.0 89 89 A E T << S+ 0 0 167 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.3 0.346 98.7 79.9 -91.0 7.4 13.1 59.7 33.9 90 90 A M S < S- 0 0 20 -3,-2.0 2,-1.4 -4,-0.0 -28,-0.0 -0.898 80.0-124.5-120.4 145.6 10.4 61.7 32.0 91 91 A D + 0 0 123 -2,-0.3 2,-0.2 -29,-0.1 -23,-0.1 -0.613 57.3 138.7 -91.3 81.3 10.7 64.1 29.1 92 92 A I - 0 0 10 -2,-1.4 -25,-0.1 -5,-0.3 -23,-0.1 -0.599 63.9-106.0-118.0 173.2 9.0 67.2 30.5 93 93 A L S S- 0 0 65 -25,-1.7 32,-0.5 -27,-0.4 2,-0.3 0.879 82.2 -49.6 -72.4 -38.5 9.8 70.9 30.4 94 94 A G E -d 69 0A 0 -26,-1.4 -24,-2.5 30,-0.1 2,-0.4 -0.993 45.6 -98.6-179.6 176.6 11.1 71.3 33.9 95 95 A V E -de 70 126A 0 30,-2.5 32,-3.0 -2,-0.3 2,-0.3 -0.903 36.6-176.5-116.3 149.3 10.8 70.8 37.6 96 96 A S E -de 71 127A 1 -26,-2.8 -24,-2.5 -2,-0.4 -23,-0.3 -0.950 11.7-177.8-143.6 155.3 9.6 73.4 40.1 97 97 A S E - e 0 128A 0 30,-1.0 32,-2.2 -2,-0.3 2,-0.1 -0.970 20.5-137.5-152.7 144.5 9.1 74.1 43.8 98 98 A H - 0 0 0 -2,-0.3 32,-0.2 30,-0.2 -24,-0.2 -0.404 47.9 -87.3 -82.0 171.8 7.7 76.8 46.0 99 99 A S - 0 0 2 30,-0.5 -1,-0.2 38,-0.2 12,-0.1 -0.202 54.7 -73.1 -76.6 168.2 9.7 77.6 49.1 100 100 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.333 64.1-170.6 -51.1 152.5 9.4 75.9 52.5 101 101 A Y + 0 0 6 -3,-0.1 2,-2.5 35,-0.1 34,-0.1 -0.770 45.1 36.8-145.9 178.2 6.1 77.2 54.1 102 102 A Y S S+ 0 0 10 32,-0.4 323,-0.1 321,-0.3 229,-0.0 -0.357 89.5 92.7 69.0 -64.5 4.1 77.3 57.3 103 103 A F S S- 0 0 3 -2,-2.5 3,-0.5 1,-0.1 2,-0.1 -0.424 70.8-143.5 -65.1 121.0 7.0 77.5 59.6 104 104 A P + 0 0 28 0, 0.0 319,-0.1 0, 0.0 -1,-0.1 -0.464 70.0 21.0 -82.2 161.2 7.8 81.1 60.4 105 105 A R S S+ 0 0 138 1,-0.2 422,-0.3 -2,-0.1 421,-0.1 0.772 72.3 163.4 59.0 30.9 11.2 82.7 61.0 106 106 A L - 0 0 20 -3,-0.5 -1,-0.2 420,-0.1 420,-0.1 -0.613 46.2-104.9 -72.7 136.4 13.3 80.0 59.1 107 107 A P >> - 0 0 20 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.363 23.8-117.7 -60.7 149.1 16.7 81.4 58.3 108 108 A E H >> S+ 0 0 111 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.843 112.6 65.6 -55.0 -35.6 17.3 82.4 54.7 109 109 A K H 3> S+ 0 0 68 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.781 93.4 60.9 -60.1 -26.8 20.0 79.7 54.4 110 110 A F H <> S+ 0 0 1 -3,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.901 104.5 48.4 -65.3 -43.0 17.4 77.0 54.9 111 111 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 3,-0.6 0.947 113.6 46.9 -58.6 -45.5 16.7 69.9 44.3 119 119 A A H 3< S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.772 105.0 61.4 -67.3 -29.6 19.3 71.3 41.8 120 120 A R H 3< S+ 0 0 168 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.856 118.6 24.9 -65.5 -32.3 21.9 68.8 42.9 121 121 A I H << S+ 0 0 45 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.716 96.3 97.6-108.1 -27.1 19.8 65.9 41.8 122 122 A S < - 0 0 21 -4,-2.4 -37,-0.1 -5,-0.2 4,-0.1 -0.427 46.3-166.5 -72.2 138.3 17.4 67.1 39.1 123 123 A S + 0 0 86 -39,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.211 67.6 85.6-100.7 9.1 18.4 66.5 35.5 124 124 A H S S- 0 0 36 1,-0.1 -30,-0.1 -40,-0.0 2,-0.1 -0.711 93.4 -82.4-107.1 165.4 15.6 68.9 34.4 125 125 A S - 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