==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-DEC-99 1DWK . COMPND 2 MOLECULE: CYANATE HYDRATASE; . 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) . 49463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1074 68.8 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 . 105 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 577 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 2.9 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 2 4 14 0 5 5 0 0 0 0 0 10 0 0 0 0 0 0 9 1 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 87 0, 0.0 1281,-0.1 0, 0.0 1526,-0.1 0.000 360.0 360.0 360.0 130.0 10.4 20.5 1.0 2 2 A I - 0 0 49 1525,-0.2 2,-0.3 1524,-0.1 75,-0.1 -0.102 360.0-159.8 -59.0 143.9 7.6 20.0 3.6 3 3 A Q - 0 0 15 73,-0.3 75,-2.8 1281,-0.1 2,-0.3 -0.997 6.0-164.4-128.7 144.0 7.2 16.4 4.7 4 4 A S B -a 78 0A 4 -2,-0.3 2,-0.2 73,-0.3 73,-0.1 -0.934 12.5-134.7-138.2 155.8 4.1 14.8 6.3 5 5 A Q - 0 0 3 73,-3.0 3,-0.1 -2,-0.3 1267,-0.0 -0.640 9.6-173.2 -99.4 156.3 3.1 11.6 8.2 6 6 A I S S+ 0 0 17 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.437 72.8 57.7-127.9 -10.4 -0.0 9.4 7.6 7 7 A N >> - 0 0 38 1,-0.1 3,-1.4 1261,-0.0 4,-0.5 -0.962 67.3-152.6-125.0 115.3 0.1 6.9 10.5 8 8 A R H 3> S+ 0 0 34 -2,-0.5 4,-2.2 1,-0.3 3,-0.2 0.721 83.5 77.5 -63.6 -20.5 0.1 8.5 14.0 9 9 A N H 3> S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.814 85.6 60.9 -64.2 -28.8 2.0 5.5 15.6 10 10 A I H <> S+ 0 0 50 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.960 113.5 34.9 -60.7 -51.1 5.4 6.6 14.3 11 11 A R H X S+ 0 0 5 -4,-0.5 4,-2.4 -3,-0.2 -1,-0.2 0.778 116.1 55.3 -74.0 -27.7 5.3 10.0 16.1 12 12 A L H X S+ 0 0 31 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.912 108.1 49.0 -75.3 -31.9 3.5 8.5 19.1 13 13 A D H X S+ 0 0 97 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.899 111.1 50.7 -63.9 -41.6 6.2 6.0 19.5 14 14 A L H X S+ 0 0 12 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.887 105.6 56.9 -59.4 -43.6 8.7 8.8 19.2 15 15 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.927 104.9 50.8 -57.0 -40.6 6.8 10.7 21.9 16 16 A D H X S+ 0 0 23 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.912 111.1 48.3 -64.6 -41.3 7.2 7.7 24.3 17 17 A A H X S+ 0 0 53 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.903 111.5 50.7 -63.1 -40.7 11.0 7.7 23.7 18 18 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.909 109.8 49.7 -61.2 -47.0 11.1 11.5 24.2 19 19 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.852 110.0 50.5 -62.9 -36.8 9.2 11.2 27.5 20 20 A L H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.951 113.4 45.4 -67.5 -45.7 11.6 8.4 28.8 21 21 A S H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 112.1 52.4 -60.2 -48.0 14.6 10.6 27.9 22 22 A K H <>S+ 0 0 1 -4,-3.0 5,-2.4 -5,-0.2 4,-0.4 0.905 111.7 46.3 -49.9 -45.3 12.9 13.6 29.5 23 23 A A H ><5S+ 0 0 6 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.914 109.5 52.4 -69.4 -41.2 12.4 11.6 32.7 24 24 A K H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 115.6 42.5 -64.4 -34.4 15.9 10.2 32.9 25 25 A K T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.432 108.3-129.2 -87.5 -4.8 17.2 13.8 32.6 26 26 A D T < 5 + 0 0 91 -3,-0.8 -3,-0.2 -4,-0.4 2,-0.2 0.909 50.9 161.5 57.9 44.6 14.6 15.1 35.0 27 27 A L < - 0 0 33 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.587 33.1-137.7 -96.6 152.6 13.6 17.9 32.6 28 28 A S > - 0 0 11 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.680 23.8-119.6-100.9 155.8 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 0.843 115.7 58.8 -60.5 -37.7 8.4 21.0 29.4 30 30 A A H > S+ 0 0 36 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.950 108.1 44.2 -58.6 -45.8 9.2 24.6 30.3 31 31 A E H 4 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.881 110.9 54.2 -69.9 -36.0 13.0 24.0 30.1 32 32 A I H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.923 111.9 44.4 -61.7 -39.8 12.7 22.0 26.9 33 33 A A H >< S+ 0 0 8 -4,-2.2 3,-2.0 -5,-0.1 5,-0.5 0.655 89.2 111.3 -79.7 -17.7 10.8 24.8 25.2 34 34 A D T 3< S+ 0 0 102 -4,-1.3 5,-0.0 1,-0.3 -3,-0.0 -0.301 82.7 17.9 -56.8 137.2 13.3 27.4 26.6 35 35 A G T 3 S+ 0 0 75 3,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.434 100.4 94.5 85.7 -8.3 15.4 28.9 23.8 36 36 A T S < S- 0 0 25 -3,-2.0 -2,-0.1 2,-0.2 21,-0.1 0.637 85.9-131.0 -87.8 -23.1 13.1 27.9 21.0 37 37 A G S S+ 0 0 78 -4,-0.4 2,-0.3 1,-0.3 -3,-0.1 0.456 73.2 111.7 83.1 1.7 11.1 31.1 20.8 38 38 A L S S- 0 0 35 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.797 74.7 -99.4-113.5 149.6 8.0 29.0 20.9 39 39 A A >> - 0 0 35 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.328 29.0-118.3 -67.3 153.0 5.3 28.7 23.5 40 40 A E H 3> S+ 0 0 51 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.844 113.6 54.5 -58.0 -37.9 5.3 25.7 25.9 41 41 A A H 3> S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.870 111.2 45.0 -66.1 -38.6 1.9 24.5 24.7 42 42 A F H <> S+ 0 0 3 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.954 116.1 43.5 -71.5 -47.6 3.1 24.4 21.1 43 43 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.930 114.3 50.9 -68.2 -35.2 6.5 22.7 21.7 44 44 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.953 108.6 52.1 -66.4 -42.7 4.9 20.2 24.1 45 45 A A H <>S+ 0 0 0 -4,-2.0 5,-3.1 -5,-0.3 6,-0.5 0.914 109.4 50.7 -57.7 -40.4 2.2 19.4 21.5 46 46 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.7 4,-0.3 -1,-0.2 0.926 108.2 50.7 -63.4 -46.0 5.0 18.8 18.9 47 47 A L H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.897 109.5 53.1 -54.7 -39.1 6.9 16.5 21.3 48 48 A L T 3<5S- 0 0 1 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.307 126.0-101.7 -83.0 10.5 3.6 14.6 21.8 49 49 A G T < 5S+ 0 0 2 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.611 96.6 102.3 92.5 12.1 3.1 14.1 18.1 50 50 A Q S - 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.230 40.6-100.3 -62.7 156.1 10.7 24.2 12.6 55 55 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 119.8 50.4 -56.0 -41.8 14.1 22.8 12.0 56 56 A D H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 113.8 45.8 -69.1 -36.5 16.0 25.0 14.4 57 57 A A H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.898 110.8 53.9 -67.5 -38.9 13.6 24.2 17.3 58 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 110.4 46.8 -59.5 -46.6 13.8 20.5 16.3 59 59 A R H X S+ 0 0 126 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.917 112.1 50.3 -63.1 -41.2 17.6 20.6 16.6 60 60 A L H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.936 115.4 40.6 -60.8 -51.3 17.5 22.5 19.9 61 61 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.888 112.4 57.5 -69.6 -33.5 15.1 20.1 21.6 62 62 A G H X>S+ 0 0 1 -4,-2.2 5,-2.8 -5,-0.3 4,-0.6 0.923 107.4 47.3 -60.2 -45.1 16.9 17.1 20.0 63 63 A A H ><5S+ 0 0 81 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.918 110.9 51.7 -67.1 -39.5 20.2 18.1 21.6 64 64 A K H 3<5S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 119.2 36.0 -58.1 -38.1 18.5 18.6 25.0 65 65 A L H 3<5S- 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.340 108.9-120.4 -99.1 5.5 17.0 15.1 24.8 66 66 A D T <<5 + 0 0 130 -3,-0.7 -3,-0.2 -4,-0.6 2,-0.2 0.925 49.8 174.1 53.1 48.3 19.8 13.4 23.1 67 67 A L < - 0 0 24 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.571 29.3-116.4 -84.3 152.3 17.7 12.4 20.1 68 68 A D > - 0 0 97 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.100 32.9-100.1 -81.9 171.4 19.1 10.7 17.0 69 69 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 121.5 53.5 -68.0 -33.8 19.0 12.3 13.6 70 70 A D H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.889 110.0 49.4 -63.8 -38.2 15.9 10.3 12.4 71 71 A S H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 109.3 50.9 -68.3 -43.7 14.0 11.5 15.5 72 72 A I H X S+ 0 0 11 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.917 112.4 47.7 -57.6 -36.6 15.0 15.1 14.9 73 73 A L H >X S+ 0 0 39 -4,-2.1 3,-1.5 1,-0.2 4,-0.6 0.940 108.3 54.2 -70.5 -43.9 13.8 14.8 11.3 74 74 A L H >< S+ 0 0 21 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.865 100.7 59.9 -59.7 -35.8 10.5 13.1 12.3 75 75 A L H 3< S+ 0 0 0 -4,-2.1 -22,-2.7 1,-0.3 -1,-0.3 0.700 102.8 54.3 -62.4 -26.3 9.7 16.1 14.7 76 76 A Q H << S+ 0 0 60 -3,-1.5 -73,-0.3 -4,-0.5 -1,-0.3 0.579 88.8 98.4 -82.3 -10.5 9.8 18.4 11.7 77 77 A X S << S- 0 0 2 -3,-1.3 -73,-0.3 -4,-0.6 -24,-0.1 -0.489 86.2-108.6 -76.1 145.9 7.2 16.3 9.7 78 78 A I B -a 4 0A 8 -75,-2.8 -73,-3.0 -2,-0.1 -1,-0.1 -0.637 47.7-128.7 -73.2 132.8 3.6 17.4 9.7 79 79 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 -71,-0.1 -0.281 10.1-118.0 -85.3 164.6 1.8 14.9 11.9 80 80 A L - 0 0 17 -73,-0.1 -74,-0.1 -31,-0.1 2,-0.1 -0.914 52.7-143.7 -92.4 100.8 -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 -0.364 53.8 104.8 -78.7 153.6 -2.9 14.4 14.5 82 82 A G - 0 0 0 491,-0.5 492,-0.2 492,-0.1 491,-0.1 0.199 31.4-174.8 138.6 98.9 -5.2 12.8 17.1 83 83 A C + 0 0 14 490,-2.9 2,-0.3 489,-0.2 490,-0.1 0.636 55.2 97.8 -90.6 -14.0 -3.9 12.1 20.6 84 84 A I - 0 0 4 1,-0.2 3,-0.5 489,-0.2 489,-0.0 -0.558 67.7-142.5 -85.7 129.9 -6.9 10.3 22.1 85 85 A D S S+ 0 0 110 -2,-0.3 -1,-0.2 1,-0.2 2,-0.0 0.957 88.8 2.1 -56.5 -51.2 -6.4 6.5 22.0 86 86 A D S S- 0 0 51 2,-0.3 2,-2.7 -3,-0.1 -1,-0.2 -0.511 107.8 -86.4-146.6 68.6 -10.0 5.6 21.2 87 87 A R S S+ 0 0 45 -3,-0.5 -3,-0.1 -2,-0.0 -2,-0.0 -0.129 113.0 55.5 72.1 -50.8 -12.2 8.6 20.8 88 88 A I S S- 0 0 26 -2,-2.7 -2,-0.3 471,-0.0 7,-0.1 -0.985 89.4-120.4-114.1 125.9 -13.1 9.2 24.5 89 89 A P - 0 0 10 0, 0.0 -5,-0.1 0, 0.0 150,-0.0 -0.350 17.4-166.2 -64.0 146.8 -10.3 9.6 27.0 90 90 A T + 0 0 33 148,-0.2 150,-0.1 149,-0.1 151,-0.1 0.642 63.9 96.5 -96.0 -26.5 -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 -0.516 74.8-137.5 -67.3 133.7 -7.5 9.3 31.8 92 92 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.874 101.3 52.8 -58.1 -43.3 -9.3 11.5 34.4 93 93 A T H > S+ 0 0 2 1,-0.2 4,-0.5 2,-0.2 499,-0.3 0.926 117.5 37.4 -62.4 -45.4 -7.3 14.6 33.7 94 94 A X H >> S+ 0 0 12 -3,-0.2 4,-1.2 1,-0.2 3,-1.1 0.881 110.6 61.8 -69.5 -39.1 -8.0 14.4 30.0 95 95 A Y H 3X S+ 0 0 3 -4,-3.3 4,-2.9 1,-0.3 5,-0.2 0.849 92.3 65.1 -61.2 -38.6 -11.7 13.2 30.5 96 96 A R H 3X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.3 0.873 100.2 51.3 -55.8 -34.2 -12.7 16.4 32.4 97 97 A F H X S+ 0 0 6 -4,-1.2 4,-2.0 2,-0.2 3,-0.5 0.932 108.8 53.1 -63.0 -40.6 -14.3 16.0 27.3 99 99 A E H 3X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.3 5,-0.2 0.887 100.2 61.0 -63.8 -37.8 -17.0 16.4 30.1 100 100 A X H 3X S+ 0 0 10 -4,-2.0 4,-3.0 1,-0.2 -1,-0.3 0.874 107.3 46.5 -54.1 -38.4 -16.8 20.2 29.6 101 101 A L H S+ 0 0 2 -5,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.803 113.5 53.0 -70.8 -34.3 -24.6 23.0 22.9 107 107 A T H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.882 107.2 51.8 -66.4 -40.3 -24.2 26.2 24.9 108 108 A L H X S+ 0 0 10 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.944 112.3 47.3 -57.5 -46.2 -20.9 26.9 23.1 109 109 A K H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.960 114.1 46.3 -55.6 -52.5 -22.8 26.4 19.8 110 110 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 116.1 43.5 -62.9 -44.7 -25.7 28.6 20.8 111 111 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.840 111.0 54.8 -74.4 -32.0 -23.5 31.5 22.1 112 112 A V H X>S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-1.4 0.973 111.7 44.1 -65.4 -42.5 -21.1 31.3 19.2 113 113 A H H <5S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 115.3 49.7 -70.9 -34.8 -24.0 31.7 16.7 114 114 A E H <5S+ 0 0 28 -4,-2.2 1301,-0.2 -5,-0.2 -2,-0.2 0.936 119.3 35.5 -64.8 -43.3 -25.6 34.5 18.9 115 115 A K H <5S+ 0 0 54 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.853 139.6 9.3 -81.7 -30.9 -22.4 36.5 19.2 116 116 A F T <5S- 0 0 23 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.781 99.6-119.3-119.8 -47.8 -20.8 36.0 15.8 117 117 A G < - 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0 0 25 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.555 33.2-136.4-100.8 150.1 4.5 -12.4 47.4 185 28 B S > - 0 0 10 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.739 21.6-122.3 -94.8 158.9 1.2 -10.8 48.4 186 29 B F H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.839 113.6 60.1 -62.5 -36.6 0.1 -7.2 47.7 187 30 B A H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 107.4 42.9 -59.3 -46.4 -0.2 -6.8 51.5 188 31 B E H 4 S+ 0 0 88 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.838 110.3 55.8 -74.6 -26.8 3.4 -7.5 52.1 189 32 B I H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.934 114.0 41.2 -67.4 -39.4 4.6 -5.4 49.1 190 33 B A H ><>S+ 0 0 7 -4,-2.3 3,-2.3 -5,-0.1 5,-0.5 0.779 91.5 101.8 -76.2 -31.0 2.8 -2.4 50.6 191 34 B D T 3<5S+ 0 0 122 -4,-1.8 5,-0.0 1,-0.3 -4,-0.0 -0.353 87.4 23.0 -59.0 130.7 3.8 -3.1 54.2 192 35 B G T 3 5S+ 0 0 59 -2,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.237 99.8 91.5 96.3 -13.9 6.6 -0.7 55.1 193 36 B T T < 5S- 0 0 22 -3,-2.3 -2,-0.1 2,-0.3 3,-0.1 0.647 89.2-129.0 -83.0 -17.5 5.8 1.9 52.5 194 37 B G T 5S+ 0 0 79 -4,-0.4 2,-0.3 1,-0.3 -3,-0.1 0.435 75.2 111.6 79.8 -2.3 3.5 3.9 54.7 195 38 B L S - 0 0 36 431,-2.4 4,-2.6 -2,-0.3 3,-0.5 -0.229 28.9-120.4 -61.7 146.4 -2.4 1.9 51.8 197 40 B E H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.890 112.7 54.9 -55.7 -41.1 -2.5 -1.4 50.0 198 41 B A H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 111.6 45.2 -63.7 -32.1 -5.2 -0.2 47.6 199 42 B F H > S+ 0 0 3 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.942 115.3 44.3 -76.4 -45.7 -2.9 2.7 46.6 200 43 B V H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.928 114.7 49.8 -65.6 -41.2 0.3 0.8 46.2 201 44 B T H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.958 109.4 51.9 -63.0 -44.5 -1.5 -2.1 44.3 202 45 B A H <>S+ 0 0 0 -4,-2.0 5,-3.1 -5,-0.3 6,-0.5 0.894 109.8 50.1 -58.3 -41.2 -3.1 0.5 42.0 203 46 B A H ><5S+ 0 0 0 -4,-2.3 3,-1.8 4,-0.3 -1,-0.2 0.928 108.2 51.0 -63.9 -44.6 0.4 2.0 41.3 204 47 B L H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.893 110.5 51.9 -54.5 -38.4 1.9 -1.4 40.5 205 48 B L T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.340 125.4-101.8 -87.5 8.2 -1.0 -2.0 38.1 206 49 B G T < 5S+ 0 0 2 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.579 96.0 101.7 95.2 9.5 -0.4 1.3 36.3 207 50 B Q S - 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.289 40.8-100.0 -51.0 158.2 6.8 8.5 45.4 212 55 B A H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 120.4 50.8 -57.6 -47.1 10.5 7.7 44.8 213 56 B D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 112.8 46.1 -64.3 -37.5 11.1 6.0 48.2 214 57 B A H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.882 110.8 53.3 -66.8 -43.0 8.1 3.7 47.8 215 58 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.934 110.6 47.5 -61.9 -43.4 9.2 2.9 44.2 216 59 B R H X S+ 0 0 121 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.889 112.5 49.5 -60.8 -44.4 12.6 2.0 45.4 217 60 B L H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.963 116.7 39.5 -58.5 -53.2 11.2 -0.2 48.2 218 61 B V H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.869 112.7 58.3 -68.8 -31.7 8.8 -2.1 46.0 219 62 B G H <>S+ 0 0 2 -4,-2.3 5,-2.6 -5,-0.3 4,-0.4 0.881 107.3 46.7 -61.4 -43.4 11.5 -2.2 43.3 220 63 B A H ><5S+ 0 0 81 -4,-2.0 3,-0.7 3,-0.2 -1,-0.2 0.916 110.9 52.3 -67.9 -38.4 13.9 -4.0 45.7 221 64 B K H 3<5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.826 119.1 35.5 -61.1 -35.6 11.2 -6.4 46.8 222 65 B L T 3<5S- 0 0 1 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.268 108.2-120.4-103.9 8.6 10.4 -7.3 43.2 223 66 B D T < 5 + 0 0 127 -3,-0.7 2,-0.2 -4,-0.4 -3,-0.2 0.932 50.6 171.0 49.9 46.8 13.9 -7.1 41.8 224 67 B L < - 0 0 23 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.0 -0.614 29.9-118.1 -84.2 153.8 13.0 -4.4 39.3 225 68 B D > - 0 0 98 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.215 32.5 -97.0 -84.4 174.8 15.6 -2.5 37.3 226 69 B E H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 122.5 53.1 -68.1 -32.6 16.2 1.2 37.4 227 70 B D H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 110.9 48.6 -67.3 -36.4 14.1 2.0 34.4 228 71 B S H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.860 109.7 51.0 -70.4 -39.9 11.2 0.2 35.9 229 72 B I H X S+ 0 0 8 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.924 112.2 48.1 -64.0 -37.5 11.6 1.9 39.3 230 73 B L H >X S+ 0 0 44 -4,-2.3 3,-1.6 -5,-0.2 4,-0.5 0.938 107.6 55.1 -66.8 -39.2 11.6 5.3 37.4 231 74 B L H >< S+ 0 0 23 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.865 99.6 60.8 -62.6 -33.6 8.5 4.3 35.4 232 75 B L H 3< S+ 0 0 0 -4,-2.0 -22,-2.7 1,-0.3 -1,-0.3 0.686 102.3 54.0 -65.1 -22.7 6.6 3.6 38.7 233 76 B Q H << S+ 0 0 56 -3,-1.6 -73,-0.3 -4,-0.5 -1,-0.3 0.562 86.9 100.4 -87.0 -7.2 7.1 7.3 39.6 234 77 B X S << S- 0 0 2 -3,-1.5 -73,-0.3 -4,-0.5 -24,-0.1 -0.486 85.2-108.4 -79.6 144.2 5.7 8.7 36.4 235 78 B I B -e 161 0C 4 -75,-2.9 -73,-3.0 -2,-0.1 -1,-0.1 -0.622 47.3-126.2 -70.3 125.4 2.1 10.0 36.5 236 79 B P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.265 8.7-121.3 -76.0 156.8 0.1 7.4 34.5 237 80 B L - 0 0 19 -31,-0.1 -74,-0.1 -73,-0.1 2,-0.1 -0.892 53.5-142.4 -85.5 100.3 -2.2 7.7 31.6 238 81 B R + 0 0 6 -2,-0.9 -148,-0.2 -31,-0.1 650,-0.1 -0.370 54.6 103.1 -80.8 152.8 -5.0 6.1 33.6 239 82 B G - 0 0 0 648,-0.4 649,-0.2 649,-0.1 648,-0.1 0.119 32.9-171.7 140.2 102.7 -7.7 3.6 32.5 240 83 B C + 0 0 13 647,-2.7 2,-0.4 646,-0.1 647,-0.1 0.636 57.6 96.6 -88.7 -15.3 -7.4 -0.0 33.4 241 84 B I > - 0 0 5 1,-0.2 3,-0.6 646,-0.1 646,-0.0 -0.659 67.9-143.6 -82.8 131.3 -10.3 -1.5 31.4 242 85 B D T 3 S+ 0 0 102 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.930 89.1 2.6 -58.1 -51.7 -9.1 -2.8 28.0 243 86 B D T 3 S- 0 0 51 2,-0.3 2,-2.9 -3,-0.1 -1,-0.2 -0.534 107.4 -87.1-145.3 73.4 -12.1 -1.7 26.0 244 87 B R S < S+ 0 0 45 -3,-0.6 -3,-0.1 -2,-0.1 -2,-0.1 -0.130 112.1 56.7 65.3 -53.3 -14.6 0.2 28.1 245 88 B I S S- 0 0 22 -2,-2.9 -2,-0.3 628,-0.0 7,-0.1 -0.985 90.4-118.8-107.8 128.7 -16.7 -2.7 29.5 246 89 B P - 0 0 8 0, 0.0 -5,-0.1 0, 0.0 464,-0.0 -0.303 18.2-165.8 -64.1 144.6 -14.8 -5.3 31.5 247 90 B T + 0 0 34 462,-0.1 464,-0.1 463,-0.1 465,-0.1 0.672 64.4 95.0 -94.3 -24.0 -14.9 -8.9 30.2 248 91 B D S > S- 0 0 0 1,-0.1 4,-3.2 462,-0.1 3,-0.3 -0.547 74.8-137.9 -73.1 134.1 -13.5 -10.4 33.5 249 92 B P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.874 101.6 52.9 -59.7 -40.6 -16.4 -11.6 35.7 250 93 B T H > S+ 0 0 1 1,-0.2 4,-0.5 2,-0.2 656,-0.3 0.910 117.3 37.3 -61.7 -46.3 -14.8 -10.2 38.9 251 94 B X H >> S+ 0 0 12 -3,-0.3 4,-1.3 1,-0.2 3,-0.9 0.873 111.0 62.6 -72.5 -35.6 -14.4 -6.7 37.4 252 95 B Y H 3X S+ 0 0 3 -4,-3.2 4,-2.9 1,-0.3 5,-0.2 0.875 91.7 63.9 -60.4 -37.6 -17.7 -7.0 35.5 253 96 B R H 3X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.855 100.9 51.9 -60.1 -33.9 -19.8 -7.3 38.7 254 97 B F H S+ 0 0 2 -5,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.823 113.9 52.6 -71.7 -32.4 -29.4 6.2 38.5 264 107 B T H > S+ 0 0 2 2,-0.2 4,-2.9 -4,-0.2 5,-0.3 0.890 108.2 50.6 -67.7 -39.9 -30.2 5.5 42.2 265 108 B L H X S+ 0 0 6 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.938 112.2 48.1 -62.7 -41.8 -26.7 6.7 43.2 266 109 B K H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.964 114.2 46.1 -59.5 -51.1 -27.3 9.9 41.1 267 110 B A H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.898 116.2 43.4 -62.8 -42.2 -30.8 10.5 42.7 268 111 B L H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.871 111.2 54.5 -73.9 -34.1 -29.7 9.9 46.3 269 112 B V H X>S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-1.2 0.946 111.3 45.6 -60.3 -47.0 -26.5 11.9 45.9 270 113 B H H <5S+ 0 0 0 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.939 114.7 48.7 -65.2 -40.3 -28.6 14.9 44.7 271 114 B E H <5S+ 0 0 30 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.885 119.8 35.0 -65.4 -46.7 -31.2 14.4 47.5 272 115 B K H <5S+ 0 0 48 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.858 138.4 12.5 -77.9 -34.0 -28.6 14.2 50.3 273 116 B F T <5S- 0 0 21 -4,-2.6 2,-0.2 -5,-0.3 -3,-0.2 0.800 99.3-118.7-110.5 -47.4 -26.0 16.6 49.0 274 117 B G < - 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0 0 27 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.0 -0.557 26.3-119.7 -84.0 149.3 -50.2 6.2 40.3 853 68 F D > - 0 0 101 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.109 33.6 -97.6 -78.0 171.8 -52.8 4.4 38.2 854 69 F E H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 121.5 52.0 -65.8 -38.3 -53.4 0.6 38.4 855 70 F D H > S+ 0 0 62 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 111.3 50.4 -66.4 -34.4 -51.2 -0.4 35.4 856 71 F S H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.883 109.5 49.1 -66.7 -44.4 -48.4 1.6 36.9 857 72 F I H X S+ 0 0 15 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.943 113.4 47.8 -57.8 -42.4 -48.7 -0.1 40.3 858 73 F L H >< S+ 0 0 42 -4,-2.1 3,-1.3 1,-0.2 4,-0.5 0.902 108.6 54.5 -64.4 -44.0 -48.8 -3.5 38.5 859 74 F L H >< S+ 0 0 21 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.888 99.8 60.6 -62.2 -36.1 -45.7 -2.5 36.4 860 75 F L H 3< S+ 0 0 0 -4,-2.2 -22,-2.6 1,-0.3 -1,-0.3 0.709 103.3 52.5 -59.6 -25.2 -43.7 -1.7 39.6 861 76 F Q T << S+ 0 0 60 -3,-1.3 -73,-0.3 -4,-0.5 -1,-0.3 0.545 88.5 99.4 -88.4 -8.8 -44.2 -5.3 40.7 862 77 F X S < S- 0 0 3 -3,-1.6 -73,-0.2 -4,-0.5 -24,-0.1 -0.584 85.8-108.0 -74.3 146.4 -42.9 -6.8 37.4 863 78 F I B -r 789 0J 5 -75,-2.9 -73,-2.8 -2,-0.2 -1,-0.1 -0.548 47.2-127.8 -72.6 128.7 -39.3 -8.1 37.4 864 79 F P - 0 0 1 0, 0.0 2,-1.0 0, 0.0 -71,-0.1 -0.291 10.3-119.4 -81.0 161.2 -37.4 -5.5 35.2 865 80 F L - 0 0 19 -31,-0.1 -74,-0.1 -73,-0.1 -69,-0.1 -0.899 53.2-143.2 -87.8 100.3 -35.1 -5.8 32.2 866 81 F R + 0 0 7 -2,-1.0 166,-0.1 -31,-0.1 -606,-0.1 -0.303 53.8 104.2 -79.3 152.4 -32.3 -4.1 34.2 867 82 F G - 0 0 0 -608,-0.4 -607,-0.2 -607,-0.1 -608,-0.1 0.201 31.7-174.4 137.5 99.8 -29.8 -1.7 32.9 868 83 F C + 0 0 14 -609,-2.8 2,-0.4 -610,-0.2 -609,-0.1 0.603 55.9 97.8 -90.6 -12.8 -30.0 2.0 33.7 869 84 F I > - 0 0 6 -610,-0.2 3,-0.5 1,-0.2 -610,-0.0 -0.624 66.8-144.5 -84.2 125.9 -27.1 3.4 31.6 870 85 F D T 3 S+ 0 0 108 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.943 88.7 3.7 -55.1 -52.4 -28.4 4.7 28.3 871 86 F D T 3 S- 0 0 52 2,-0.3 2,-2.8 -3,-0.1 -1,-0.2 -0.535 107.4 -87.8-143.9 69.1 -25.4 3.7 26.2 872 87 F R S < S+ 0 0 44 -3,-0.5 -3,-0.1 -2,-0.1 -2,-0.0 -0.133 112.9 55.3 70.9 -50.6 -22.9 1.7 28.1 873 88 F I S S- 0 0 24 -2,-2.8 -2,-0.3 -628,-0.0 7,-0.1 -0.979 90.6-119.0-113.6 125.8 -20.8 4.6 29.5 874 89 F P - 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