==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-DEC-99 1DW9 . COMPND 2 MOLECULE: CYANATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.WALSH,Z.OTWINOWSKI,A.PERRAKIS,P.M.ANDERSON,A.JOACHIMIAK, . 1560 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1057 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 12.2 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 . 10 0.6 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 . 103 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 571 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.8 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 0 10 4 3 13 0 7 3 0 0 0 0 2 8 0 0 0 0 0 0 10 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 5 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 5 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 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 X 0 0 88 0, 0.0 1526,-0.1 0, 0.0 1281,-0.1 0.000 360.0 360.0 360.0 132.5 10.4 20.5 1.1 2 2 A I - 0 0 48 1525,-0.2 2,-0.4 1524,-0.1 75,-0.1 -0.040 360.0-160.4 -62.9 144.8 7.6 20.0 3.6 3 3 A Q - 0 0 15 73,-0.3 75,-2.9 1523,-0.1 2,-0.3 -0.997 5.9-165.0-129.8 141.9 7.2 16.4 4.7 4 4 A S B -a 78 0A 3 -2,-0.4 2,-0.2 73,-0.2 1275,-0.1 -0.917 12.2-133.7-135.4 155.4 4.1 14.8 6.3 5 5 A Q - 0 0 4 73,-3.0 3,-0.1 -2,-0.3 1267,-0.0 -0.648 8.3-170.4 -99.1 156.3 3.1 11.6 8.1 6 6 A I S S+ 0 0 18 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.463 73.3 55.9-124.8 -8.6 0.0 9.4 7.6 7 7 A N >> - 0 0 39 1,-0.1 3,-1.5 1261,-0.0 4,-0.5 -0.961 65.8-151.6-128.5 120.1 0.1 7.0 10.6 8 8 A R H 3> S+ 0 0 30 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.709 84.7 77.5 -65.2 -21.5 0.1 8.5 14.1 9 9 A N H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.826 86.1 60.6 -66.6 -22.5 2.0 5.5 15.7 10 10 A I H <> S+ 0 0 50 -3,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.957 113.6 34.7 -67.0 -49.1 5.4 6.7 14.3 11 11 A R H X S+ 0 0 5 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.794 115.6 56.3 -76.9 -27.5 5.3 10.0 16.2 12 12 A L H X S+ 0 0 30 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.876 107.3 49.4 -72.3 -30.7 3.5 8.6 19.2 13 13 A D H X S+ 0 0 99 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.878 110.6 51.1 -65.2 -41.7 6.3 6.0 19.6 14 14 A L H X S+ 0 0 11 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.886 106.0 56.1 -60.0 -44.3 8.7 8.9 19.3 15 15 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.910 105.4 50.4 -55.0 -41.8 6.7 10.7 22.0 16 16 A D H X S+ 0 0 20 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.903 111.5 48.5 -65.5 -38.5 7.2 7.7 24.4 17 17 A A H X S+ 0 0 54 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.908 111.4 50.5 -64.5 -43.0 10.9 7.7 23.7 18 18 A I H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.929 109.5 50.0 -59.6 -50.0 11.1 11.5 24.3 19 19 A L H X S+ 0 0 3 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.850 109.6 51.2 -58.5 -41.5 9.2 11.2 27.6 20 20 A L H X S+ 0 0 55 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.951 113.0 45.7 -64.3 -41.3 11.5 8.4 28.8 21 21 A S H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.873 112.1 51.5 -61.5 -48.5 14.6 10.7 28.0 22 22 A K H <>S+ 0 0 0 -4,-3.1 5,-2.3 2,-0.2 4,-0.4 0.880 111.4 47.7 -53.1 -44.2 12.9 13.6 29.6 23 23 A A H ><5S+ 0 0 6 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.935 109.9 51.2 -66.7 -39.9 12.3 11.6 32.8 24 24 A K H 3<5S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.829 115.6 42.7 -64.0 -35.7 15.8 10.2 33.0 25 25 A K T 3<5S- 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.401 107.3-129.6 -86.1 -6.6 17.1 13.8 32.7 26 26 A D T < 5 + 0 0 90 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.2 0.891 51.2 161.1 59.9 43.7 14.5 15.1 35.1 27 27 A L < - 0 0 35 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.548 33.2-137.5 -95.0 155.2 13.5 17.9 32.7 28 28 A S > - 0 0 11 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.723 23.7-119.1-102.4 157.2 10.4 20.0 32.5 29 29 A F H > S+ 0 0 2 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.868 116.0 58.1 -63.9 -34.3 8.4 21.0 29.4 30 30 A A H > S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.953 107.9 45.1 -60.3 -43.5 9.1 24.6 30.3 31 31 A E H 4 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.866 110.9 53.4 -69.7 -34.3 12.9 24.0 30.2 32 32 A I H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.935 111.6 45.8 -64.1 -40.6 12.6 22.0 26.9 33 33 A A H >< S+ 0 0 8 -4,-2.2 3,-1.8 -5,-0.1 5,-0.5 0.622 88.9 109.2 -80.5 -14.4 10.8 24.9 25.3 34 34 A D T 3< S+ 0 0 100 -4,-1.2 5,-0.0 1,-0.2 -3,-0.0 -0.347 82.1 20.3 -61.8 136.9 13.2 27.5 26.6 35 35 A G T 3 S+ 0 0 76 -2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.404 100.2 94.0 91.4 -11.0 15.4 28.9 23.9 36 36 A T S < S- 0 0 24 -3,-1.8 -2,-0.1 2,-0.2 21,-0.1 0.642 85.8-130.4 -88.4 -23.9 13.1 27.9 21.1 37 37 A G S S+ 0 0 78 -4,-0.3 2,-0.3 1,-0.3 -3,-0.1 0.454 73.4 110.3 82.3 7.9 11.1 31.1 20.8 38 38 A L S S- 0 0 36 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.828 76.0 -96.3-121.1 150.9 7.9 29.1 20.9 39 39 A A > - 0 0 33 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.268 29.8-121.3 -63.6 146.3 5.2 28.7 23.5 40 40 A E H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.849 112.6 54.8 -54.8 -38.6 5.4 25.8 25.9 41 41 A A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 110.7 46.1 -65.7 -36.2 2.0 24.6 24.8 42 42 A F H > S+ 0 0 3 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.926 115.2 43.6 -71.7 -49.0 3.1 24.5 21.2 43 43 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.930 113.8 51.5 -65.2 -39.1 6.4 22.8 21.7 44 44 A T H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.947 108.4 52.0 -62.3 -45.5 4.9 20.2 24.2 45 45 A A H <>S+ 0 0 0 -4,-2.0 5,-3.1 -5,-0.3 6,-0.5 0.918 109.3 50.6 -57.8 -38.8 2.2 19.4 21.6 46 46 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.8 4,-0.3 -1,-0.2 0.931 108.3 50.8 -62.8 -45.9 5.0 18.8 19.0 47 47 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.909 109.5 53.1 -57.0 -36.9 6.9 16.5 21.4 48 48 A L T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.251 125.6-101.7 -85.2 10.5 3.6 14.6 21.9 49 49 A G T < 5S+ 0 0 2 -3,-1.8 -3,-0.2 2,-0.2 31,-0.1 0.525 96.1 102.0 93.8 13.1 3.1 14.1 18.2 50 50 A Q S - 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.267 40.1-101.5 -61.5 153.9 10.7 24.2 12.7 55 55 A A H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 119.2 50.3 -52.2 -45.5 14.1 22.9 12.1 56 56 A D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.5 45.8 -68.1 -33.2 16.0 25.1 14.5 57 57 A A H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.872 110.5 54.1 -71.3 -37.0 13.7 24.2 17.4 58 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.934 110.4 46.7 -61.2 -44.5 13.8 20.5 16.5 59 59 A R H X S+ 0 0 127 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.1 51.0 -64.7 -38.9 17.6 20.6 16.7 60 60 A L H X S+ 0 0 67 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.942 115.4 39.6 -61.2 -51.0 17.5 22.5 20.0 61 61 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.862 112.4 59.0 -69.1 -35.5 15.1 20.1 21.7 62 62 A G H <>S+ 0 0 1 -4,-2.0 5,-2.6 -5,-0.3 4,-0.5 0.928 106.5 47.1 -54.7 -50.2 16.9 17.1 20.0 63 63 A A H ><5S+ 0 0 80 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.900 110.4 52.5 -63.5 -39.4 20.1 18.1 21.7 64 64 A K H 3<5S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 119.0 35.5 -62.3 -36.4 18.5 18.6 25.1 65 65 A L T 3<5S- 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.319 108.2-120.8-100.3 3.0 16.9 15.1 25.0 66 66 A D T < 5 + 0 0 131 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.935 49.4 173.5 55.1 47.0 19.8 13.4 23.2 67 67 A L < - 0 0 26 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.0 -0.617 29.7-115.5 -82.6 149.9 17.7 12.4 20.2 68 68 A D > - 0 0 99 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.083 33.1 -98.6 -81.6 167.5 19.1 10.7 17.1 69 69 A E H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.884 122.0 52.8 -61.1 -35.8 19.0 12.3 13.7 70 70 A D H > S+ 0 0 62 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 109.7 50.0 -65.3 -38.6 16.0 10.4 12.5 71 71 A S H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.881 109.3 51.1 -66.0 -38.0 14.0 11.5 15.6 72 72 A I H < S+ 0 0 11 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.915 111.7 47.8 -64.9 -33.9 15.0 15.1 15.0 73 73 A L H >X S+ 0 0 39 -4,-2.0 3,-1.4 1,-0.2 4,-0.5 0.907 108.6 54.5 -72.0 -41.7 13.8 14.8 11.4 74 74 A L H >< S+ 0 0 21 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.871 99.9 60.2 -63.6 -31.9 10.5 13.2 12.5 75 75 A L T 3< S+ 0 0 0 -4,-2.1 -22,-2.8 1,-0.3 -1,-0.3 0.706 103.0 53.7 -64.2 -20.9 9.8 16.1 14.8 76 76 A Q T <4 S+ 0 0 60 -3,-1.4 -73,-0.3 -4,-0.5 -1,-0.3 0.575 88.9 98.2 -88.3 -13.2 9.8 18.4 11.8 77 77 A X S << S- 0 0 2 -3,-1.4 -73,-0.2 -4,-0.5 -24,-0.1 -0.489 86.0-107.8 -73.4 150.0 7.3 16.3 9.8 78 78 A I B -a 4 0A 8 -75,-2.9 -73,-3.0 -2,-0.2 -1,-0.1 -0.627 47.8-131.4 -77.2 130.8 3.6 17.4 9.8 79 79 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 -71,-0.1 -0.245 11.6-117.1 -85.9 164.4 1.9 14.8 12.0 80 80 A L - 0 0 17 -31,-0.1 2,-0.1 -73,-0.1 -74,-0.1 -0.925 52.5-144.0 -90.1 98.4 -1.2 12.7 11.6 81 81 A R + 0 0 8 -2,-0.9 1265,-0.1 -31,-0.1 493,-0.1 -0.365 52.7 105.8 -79.3 156.8 -2.9 14.4 14.5 82 82 A G - 0 0 0 491,-0.4 492,-0.2 492,-0.1 491,-0.1 0.138 30.9-174.7 136.8 99.7 -5.2 12.8 17.1 83 83 A C + 0 0 14 490,-2.8 2,-0.4 489,-0.1 490,-0.1 0.610 55.7 96.7 -91.9 -14.1 -3.9 12.1 20.6 84 84 A I - 0 0 6 1,-0.2 3,-0.5 489,-0.1 489,-0.0 -0.592 67.4-143.5 -88.2 127.6 -6.9 10.3 22.1 85 85 A D S S+ 0 0 112 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.968 88.2 3.6 -52.3 -53.6 -6.4 6.5 22.0 86 86 A D S S- 0 0 51 2,-0.3 2,-2.8 -3,-0.1 -1,-0.2 -0.496 108.2 -85.8-146.6 67.3 -10.0 5.6 21.2 87 87 A R S S+ 0 0 41 -3,-0.5 -3,-0.1 -2,-0.1 -2,-0.0 -0.176 112.8 54.2 69.9 -48.5 -12.3 8.6 20.8 88 88 A I S S- 0 0 25 -2,-2.8 -2,-0.3 471,-0.0 2,-0.1 -0.963 89.3-118.9-116.6 129.0 -13.2 9.2 24.5 89 89 A P - 0 0 9 0, 0.0 -5,-0.1 0, 0.0 150,-0.0 -0.429 17.2-166.1 -62.5 152.6 -10.4 9.6 27.0 90 90 A T + 0 0 33 148,-0.1 150,-0.1 -2,-0.1 151,-0.0 0.683 64.1 96.4-101.4 -22.4 -10.1 7.2 29.9 91 91 A D S > S- 0 0 0 1,-0.1 4,-3.3 148,-0.1 5,-0.2 -0.503 74.4-137.7 -71.2 134.4 -7.6 9.3 31.8 92 92 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.852 101.5 52.6 -57.5 -42.8 -9.4 11.5 34.5 93 93 A T H > S+ 0 0 1 1,-0.2 4,-0.5 2,-0.2 499,-0.2 0.928 117.3 37.9 -63.7 -44.7 -7.4 14.6 33.8 94 94 A X H >> S+ 0 0 12 -3,-0.2 4,-1.3 1,-0.2 3,-1.2 0.898 110.7 61.1 -70.0 -38.7 -8.1 14.4 30.0 95 95 A Y H 3X S+ 0 0 4 -4,-3.3 4,-2.9 1,-0.3 5,-0.2 0.861 92.8 64.3 -60.1 -39.8 -11.7 13.3 30.6 96 96 A R H 3X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.3 0.854 100.9 51.4 -55.3 -33.4 -12.7 16.4 32.5 97 97 A F H S+ 0 0 2 -5,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.789 113.2 54.0 -75.4 -33.4 -24.6 23.0 22.9 107 107 A T H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.875 107.4 50.6 -63.4 -40.5 -24.2 26.2 25.0 108 108 A L H X S+ 0 0 9 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.932 112.3 48.1 -60.0 -45.1 -20.9 27.0 23.2 109 109 A K H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.958 113.5 46.6 -54.3 -55.5 -22.8 26.4 19.9 110 110 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.918 115.6 44.0 -57.9 -47.5 -25.7 28.7 20.9 111 111 A L H X S+ 0 0 3 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.860 111.0 54.1 -71.4 -30.9 -23.5 31.5 22.2 112 112 A V H X>S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-1.3 0.971 111.7 45.1 -65.1 -42.9 -21.1 31.4 19.3 113 113 A H H <5S+ 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 115.8 47.9 -68.4 -39.3 -24.0 31.7 16.8 114 114 A E H <5S+ 0 0 29 -4,-2.4 1301,-0.2 -5,-0.2 -1,-0.2 0.904 120.2 35.9 -67.3 -40.9 -25.6 34.5 19.0 115 115 A K H <5S+ 0 0 61 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.822 139.5 8.9 -81.7 -32.7 -22.3 36.5 19.4 116 116 A F T <5S- 0 0 21 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.743 99.0-119.8-119.5 -45.6 -20.8 36.0 16.0 117 117 A G < - 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0 0 59 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.318 39.9-100.9 -58.8 158.3 6.6 8.5 45.5 212 55 B A H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 119.4 51.1 -58.4 -44.4 10.3 7.8 45.0 213 56 B D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 113.2 45.9 -62.8 -38.2 11.0 6.1 48.3 214 57 B A H > S+ 0 0 6 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.887 110.2 53.8 -67.6 -41.0 8.0 3.7 47.9 215 58 B A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.908 111.3 46.0 -64.2 -37.8 9.1 3.0 44.3 216 59 B R H X S+ 0 0 124 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.901 112.9 50.6 -68.6 -36.7 12.5 2.0 45.5 217 60 B L H X S+ 0 0 83 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.964 116.6 39.0 -62.5 -53.3 11.0 -0.1 48.4 218 61 B V H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.871 112.8 57.8 -70.3 -31.9 8.7 -2.0 46.1 219 62 B G H <>S+ 0 0 2 -4,-2.1 5,-2.3 -5,-0.3 4,-0.4 0.885 107.1 48.0 -62.9 -44.8 11.4 -2.2 43.4 220 63 B A H ><5S+ 0 0 81 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.916 110.2 51.9 -62.2 -40.4 13.8 -3.9 45.8 221 64 B K H 3<5S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.885 119.3 35.4 -66.3 -31.5 11.1 -6.4 46.9 222 65 B L T 3<5S- 0 0 2 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.256 107.7-120.3-105.0 7.2 10.3 -7.3 43.3 223 66 B D T < 5 + 0 0 126 -3,-0.7 -3,-0.2 -4,-0.4 2,-0.2 0.902 50.2 171.0 53.4 48.2 13.8 -7.1 41.9 224 67 B L < - 0 0 23 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.0 -0.552 29.8-118.6 -86.2 152.4 12.9 -4.4 39.3 225 68 B D > - 0 0 99 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.216 32.9 -96.1 -83.1 177.3 15.5 -2.5 37.3 226 69 B E H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.881 121.6 52.7 -69.0 -35.1 16.1 1.2 37.4 227 70 B D H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 111.2 49.2 -66.3 -35.3 14.0 2.1 34.4 228 71 B S H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.880 109.6 50.4 -72.0 -42.0 11.0 0.2 36.0 229 72 B I H X S+ 0 0 9 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.912 112.5 48.2 -58.3 -41.4 11.5 2.0 39.3 230 73 B L H >X S+ 0 0 43 -4,-2.4 3,-1.5 -5,-0.2 4,-0.6 0.931 108.2 54.6 -59.3 -44.4 11.5 5.3 37.5 231 74 B L H >< S+ 0 0 23 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.838 99.6 60.5 -63.8 -29.3 8.4 4.3 35.5 232 75 B L H 3< S+ 0 0 0 -4,-2.0 -22,-2.8 1,-0.2 -1,-0.3 0.695 102.5 54.4 -69.3 -19.0 6.5 3.6 38.7 233 76 B Q H << S+ 0 0 57 -3,-1.5 -73,-0.3 -4,-0.5 -1,-0.2 0.599 87.3 99.9 -89.2 -10.2 7.0 7.3 39.7 234 77 B X S << S- 0 0 2 -3,-1.2 -73,-0.2 -4,-0.6 -24,-0.1 -0.472 85.2-108.5 -76.1 149.5 5.6 8.7 36.5 235 78 B I B -e 161 0C 4 -75,-2.9 -73,-2.9 -2,-0.1 -1,-0.1 -0.609 47.3-129.5 -75.5 124.4 2.0 10.0 36.6 236 79 B P - 0 0 1 0, 0.0 2,-0.9 0, 0.0 -29,-0.1 -0.235 9.8-120.0 -78.5 157.1 0.1 7.4 34.6 237 80 B L - 0 0 19 -31,-0.1 2,-0.1 -76,-0.1 -74,-0.1 -0.934 53.2-142.6 -85.1 99.2 -2.3 7.7 31.7 238 81 B R + 0 0 6 -2,-0.9 -148,-0.1 -31,-0.1 650,-0.1 -0.378 53.8 104.5 -78.6 156.2 -5.1 6.1 33.7 239 82 B G - 0 0 0 648,-0.4 649,-0.2 649,-0.1 648,-0.1 0.084 32.3-171.2 137.1 103.7 -7.7 3.6 32.6 240 83 B C + 0 0 13 647,-2.8 2,-0.4 646,-0.1 647,-0.1 0.617 57.9 96.3 -92.3 -11.2 -7.5 -0.1 33.5 241 84 B I > - 0 0 5 1,-0.2 3,-0.5 646,-0.1 646,-0.0 -0.679 67.7-143.5 -87.0 126.9 -10.3 -1.5 31.4 242 85 B D T 3 S+ 0 0 106 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.935 88.6 2.3 -52.6 -56.7 -9.1 -2.8 28.1 243 86 B D T 3 S- 0 0 51 2,-0.3 2,-3.0 -3,-0.1 -1,-0.2 -0.525 107.5 -85.7-142.5 73.9 -12.2 -1.7 26.0 244 87 B R S < S+ 0 0 45 -3,-0.5 -3,-0.1 -2,-0.1 -2,-0.0 -0.202 112.8 55.8 67.2 -51.0 -14.7 0.2 28.1 245 88 B I S S- 0 0 22 -2,-3.0 -2,-0.3 628,-0.0 7,-0.1 -0.977 89.6-119.1-110.4 131.1 -16.7 -2.7 29.5 246 89 B P - 0 0 9 0, 0.0 -5,-0.1 0, 0.0 464,-0.0 -0.342 17.3-165.3 -65.7 147.1 -14.9 -5.3 31.5 247 90 B T + 0 0 35 462,-0.1 464,-0.1 463,-0.1 465,-0.1 0.668 64.0 94.6 -97.4 -21.4 -14.9 -8.9 30.3 248 91 B D S > S- 0 0 0 1,-0.1 4,-3.1 462,-0.1 5,-0.2 -0.515 75.0-136.6 -76.2 134.8 -13.6 -10.4 33.5 249 92 B P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.880 101.3 53.8 -59.1 -42.4 -16.4 -11.6 35.8 250 93 B T H > S+ 0 0 1 1,-0.2 4,-0.6 2,-0.2 656,-0.3 0.926 116.8 37.2 -56.4 -47.8 -14.8 -10.2 38.9 251 94 B X H >> S+ 0 0 13 1,-0.2 4,-1.4 -3,-0.2 3,-0.9 0.863 110.8 62.8 -70.2 -35.9 -14.5 -6.7 37.4 252 95 B Y H 3X S+ 0 0 3 -4,-3.1 4,-2.9 1,-0.3 5,-0.2 0.875 92.4 62.8 -60.3 -39.3 -17.8 -7.0 35.6 253 96 B R H 3X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.854 101.5 51.8 -59.8 -32.1 -19.9 -7.3 38.7 254 97 B F H S+ 0 0 2 -5,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.805 114.2 52.4 -73.4 -31.6 -29.5 6.2 38.5 264 107 B T H > S+ 0 0 3 2,-0.2 4,-2.8 -4,-0.2 5,-0.3 0.884 108.2 50.6 -67.6 -42.4 -30.3 5.4 42.2 265 108 B L H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.955 112.3 47.9 -58.8 -43.9 -26.8 6.6 43.2 266 109 B K H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.968 113.4 47.4 -61.6 -47.7 -27.4 9.8 41.2 267 110 B A H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.868 115.1 43.8 -62.8 -46.7 -30.9 10.3 42.8 268 111 B L H X S+ 0 0 3 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.857 110.9 54.3 -70.9 -33.4 -29.8 9.8 46.3 269 112 B V H X>S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 5,-1.3 0.946 111.1 46.7 -60.2 -49.3 -26.6 11.9 45.9 270 113 B H H <5S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.924 115.1 46.2 -58.7 -42.3 -28.8 14.8 44.7 271 114 B E H <5S+ 0 0 32 -4,-2.2 -2,-0.2 -5,-0.2 202,-0.2 0.913 121.2 35.9 -70.0 -41.8 -31.3 14.3 47.6 272 115 B K H <5S+ 0 0 58 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.849 138.0 12.5 -80.3 -33.1 -28.8 14.0 50.3 273 116 B F T <5S- 0 0 21 -4,-2.7 2,-0.2 -5,-0.3 -3,-0.2 0.777 99.1-118.2-112.1 -52.4 -26.1 16.5 49.1 274 117 B G < - 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0 0 26 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.0 -0.581 27.7-119.0 -86.8 152.9 -50.3 6.1 40.3 853 68 F D > - 0 0 102 -2,-0.2 4,-2.3 1,-0.0 5,-0.2 -0.120 34.4 -98.3 -76.4 168.4 -52.9 4.3 38.2 854 69 F E H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.877 121.2 53.4 -64.5 -37.6 -53.5 0.5 38.4 855 70 F D H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.870 110.5 49.7 -66.3 -33.2 -51.3 -0.4 35.4 856 71 F S H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.902 109.9 49.0 -70.0 -44.1 -48.4 1.5 36.9 857 72 F I H X S+ 0 0 13 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.914 112.9 49.2 -55.4 -40.2 -48.8 -0.1 40.3 858 73 F L H >X S+ 0 0 43 -4,-2.0 3,-1.4 1,-0.2 4,-0.6 0.924 108.6 52.9 -65.6 -41.1 -48.8 -3.5 38.4 859 74 F L H >< S+ 0 0 21 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.873 99.5 62.4 -68.2 -33.2 -45.8 -2.6 36.4 860 75 F L H 3< S+ 0 0 0 -4,-2.3 -22,-2.5 1,-0.3 -1,-0.3 0.755 103.3 51.7 -59.2 -24.4 -43.8 -1.8 39.6 861 76 F Q H << S+ 0 0 61 -3,-1.4 -73,-0.3 -4,-0.5 -1,-0.3 0.633 87.7 99.7 -89.7 -6.7 -44.3 -5.4 40.6 862 77 F X S << S- 0 0 3 -3,-1.5 -73,-0.2 -4,-0.6 -24,-0.1 -0.464 85.3-108.4 -77.8 145.6 -42.9 -6.9 37.3 863 78 F I B -r 789 0J 4 -75,-2.9 -73,-2.7 -2,-0.1 -1,-0.1 -0.582 47.3-127.9 -72.5 127.7 -39.3 -8.1 37.3 864 79 F P - 0 0 0 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.248 10.4-119.7 -80.9 162.2 -37.5 -5.6 35.2 865 80 F L - 0 0 18 -31,-0.1 -74,-0.1 -73,-0.1 -69,-0.1 -0.916 54.1-144.3 -89.3 99.0 -35.2 -5.8 32.2 866 81 F R + 0 0 7 -2,-1.0 166,-0.2 -31,-0.1 -606,-0.1 -0.340 52.7 104.1 -79.4 157.0 -32.4 -4.1 34.2 867 82 F G - 0 0 0 -608,-0.4 -607,-0.2 -607,-0.1 -608,-0.1 0.128 32.1-172.7 135.5 103.1 -29.8 -1.7 33.0 868 83 F C + 0 0 14 -609,-2.6 2,-0.4 -610,-0.2 -609,-0.1 0.587 56.1 97.9 -93.5 -10.3 -30.1 2.0 33.7 869 84 F I > - 0 0 5 -610,-0.2 3,-0.5 1,-0.2 -610,-0.0 -0.665 66.3-144.2 -85.8 125.8 -27.2 3.4 31.6 870 85 F D T 3 S+ 0 0 109 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.937 88.0 3.7 -54.1 -53.4 -28.5 4.7 28.2 871 86 F D T 3 S- 0 0 52 2,-0.3 2,-3.0 0, 0.0 -1,-0.2 -0.518 107.4 -86.6-143.2 71.5 -25.4 3.6 26.1 872 87 F R S < S+ 0 0 46 -3,-0.5 -3,-0.1 -2,-0.1 -2,-0.0 -0.172 113.5 54.0 68.3 -52.9 -22.9 1.7 28.1 873 88 F I S S- 0 0 23 -2,-3.0 -2,-0.3 -628,-0.0 7,-0.1 -0.978 90.5-119.3-112.2 132.0 -20.8 4.6 29.5 874 89 F P - 0 0 9 0, 0.0 -5,-0.1 0, 0.0 -321,-0.0 -0.337 16.6-164.1 -67.7 149.6 -22.7 7.3 31.4 875 90 F T + 0 0 36 -323,-0.2 -321,-0.1 -322,-0.1 -320,-0.1 0.651 64.6 95.2 -95.2 -27.1 -22.7 10.9 30.1 876 91 F D S > S- 0 0 1 1,-0.1 4,-3.1 -323,-0.1 5,-0.2 -0.558 74.7-137.1 -73.6 131.5 -23.9 12.4 33.4 877 92 F P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.872 101.6 53.6 -54.9 -42.2 -21.0 13.6 35.6 878 93 F T H > S+ 0 0 1 1,-0.2 4,-0.6 2,-0.2 -600,-0.3 0.944 116.5 37.5 -58.7 -48.9 -22.6 12.2 38.8 879 94 F X H >> S+ 0 0 11 1,-0.2 4,-1.3 -3,-0.2 3,-1.0 0.880 110.7 62.2 -68.2 -40.0 -23.0 8.8 37.3 880 95 F Y H 3X S+ 0 0 4 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.855 92.4 64.4 -58.6 -35.7 -19.6 8.9 35.4 881 96 F R H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.857 100.6 51.1 -63.3 -31.3 -17.6 9.3 38.6 882 97 F F H S+ 0 0 2 -5,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.805 114.2 52.5 -68.5 -32.9 -7.9 -4.1 38.4 892 107 F T H > S+ 0 0 2 2,-0.2 4,-3.0 -4,-0.2 5,-0.3 0.891 107.8 50.6 -65.7 -44.2 -7.0 -3.3 42.0 893 108 F L H X S+ 0 0 6 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.942 111.9 48.6 -58.1 -44.5 -10.5 -4.5 43.2 894 109 F K H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.975 113.4 46.6 -56.3 -50.7 -9.9 -7.7 41.2 895 110 F A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.929 115.4 44.1 -63.3 -41.4 -6.5 -8.2 42.7 896 111 F L H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.864 111.0 54.3 -76.7 -32.6 -7.5 -7.5 46.3 897 112 F V H X>S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 5,-1.3 0.948 110.9 46.6 -61.8 -44.9 -10.7 -9.6 46.0 898 113 F H H <5S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.933 115.1 46.8 -65.6 -38.4 -8.5 -12.6 44.8 899 114 F E H <5S+ 0 0 32 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.900 120.5 35.5 -69.3 -38.7 -6.0 -12.1 47.6 900 115 F K H <5S+ 0 0 61 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.828 139.1 10.9 -87.6 -31.8 -8.5 -11.6 50.5 901 116 F F T <5S- 0 0 22 -4,-2.7 2,-0.2 -5,-0.3 -3,-0.2 0.813 99.4-117.0-113.4 -50.6 -11.1 -14.1 49.3 902 117 F G < - 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