==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DIOXYGENASE 06-AUG-98 1BOU . COMPND 2 MOLECULE: 4,5-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR K.SUGIMOTO,T.SENDA,M.FUKUDA,Y.MITSUI . 860 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 53 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 2 1 8 4 6 5 1 3 0 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 8 A I 0 0 196 0, 0.0 2,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -45.6 30.5 58.9 25.2 2 9 A D >> - 0 0 80 1,-0.2 4,-2.7 2,-0.1 3,-0.7 -0.623 360.0-165.5 -81.5 90.9 28.0 56.1 24.2 3 10 A V H 3> S+ 0 0 3 -2,-1.5 4,-1.9 1,-0.3 -1,-0.2 0.806 89.0 51.9 -45.4 -34.2 30.4 53.3 23.3 4 11 A H H 3> S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.903 109.0 47.3 -71.5 -43.1 27.5 51.6 21.7 5 12 A A H <> S+ 0 0 46 -3,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.914 110.3 55.5 -63.5 -42.4 26.4 54.5 19.6 6 13 A Y H < S+ 0 0 31 -4,-2.7 4,-0.4 1,-0.2 3,-0.3 0.923 113.8 38.0 -55.8 -51.0 30.1 55.0 18.6 7 14 A L H >< S+ 0 0 42 -4,-1.9 3,-1.0 -5,-0.2 4,-0.5 0.830 105.7 69.1 -72.6 -32.8 30.4 51.4 17.2 8 15 A A H >< S+ 0 0 54 -4,-2.2 3,-1.2 1,-0.3 4,-0.3 0.845 94.4 54.1 -56.4 -39.5 26.9 51.3 15.7 9 16 A E G >< S+ 0 0 83 -4,-1.3 3,-1.5 -3,-0.3 4,-0.3 0.736 91.2 72.8 -70.2 -21.7 27.6 53.8 12.9 10 17 A F G X S+ 0 0 7 -3,-1.0 3,-0.9 -4,-0.4 -1,-0.3 0.769 89.8 65.6 -61.7 -21.4 30.6 51.8 11.7 11 18 A D G < S+ 0 0 114 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.730 90.3 61.7 -71.6 -25.9 27.9 49.5 10.5 12 19 A D G < S+ 0 0 21 -3,-1.5 116,-2.2 -4,-0.3 -1,-0.2 0.455 78.2 101.4 -83.0 -1.5 26.5 52.0 7.9 13 20 A I S X S- 0 0 4 -3,-0.9 3,-1.1 -4,-0.3 114,-0.2 -0.752 73.9-126.9 -88.6 118.3 29.8 52.2 5.9 14 21 A P T 3 S+ 0 0 23 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.275 82.4 1.4 -63.9 145.8 29.6 50.1 2.7 15 22 A G T 3 S+ 0 0 30 1,-0.1 318,-0.9 317,-0.1 2,-0.4 0.681 106.8 114.4 52.0 24.4 32.3 47.6 1.8 16 23 A T < - 0 0 12 -3,-1.1 2,-0.6 -6,-0.1 -3,-0.2 -0.986 45.6-172.1-132.2 130.8 34.1 48.3 5.1 17 24 A R - 0 0 37 -2,-0.4 2,-0.2 -3,-0.1 -6,-0.1 -0.901 22.4-149.1-120.9 96.2 34.7 46.2 8.2 18 25 A V - 0 0 4 -2,-0.6 2,-2.4 -8,-0.2 5,-0.2 -0.447 23.4-113.2 -68.3 133.5 36.2 48.4 10.9 19 26 A F + 0 0 9 268,-0.2 270,-2.3 -2,-0.2 -1,-0.1 -0.401 53.8 165.6 -71.0 77.5 38.6 46.6 13.2 20 27 A T > - 0 0 14 -2,-2.4 4,-2.6 268,-0.2 3,-0.4 -0.344 55.3 -94.9 -86.7 171.2 36.6 46.9 16.4 21 28 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.845 124.5 59.1 -52.6 -38.1 37.1 45.0 19.6 22 29 A Q H > S+ 0 0 139 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 110.3 39.7 -59.5 -48.0 34.6 42.4 18.4 23 30 A R H > S+ 0 0 53 -3,-0.4 4,-2.5 -5,-0.2 -2,-0.2 0.891 112.5 56.8 -70.6 -38.6 36.6 41.6 15.3 24 31 A A H < S+ 0 0 0 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.892 108.7 46.6 -59.9 -40.9 39.9 41.7 17.2 25 32 A R H >< S+ 0 0 98 -4,-2.4 3,-0.8 1,-0.2 4,-0.2 0.896 113.4 48.6 -69.0 -40.2 38.7 39.1 19.6 26 33 A K H 3< S+ 0 0 120 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.855 116.9 41.1 -69.5 -34.3 37.4 36.8 16.9 27 34 A G T 3X S+ 0 0 1 -4,-2.5 4,-2.6 52,-0.3 5,-0.3 0.223 77.7 114.4-101.6 18.5 40.5 37.1 14.8 28 35 A Y H <> S+ 0 0 54 -3,-0.8 4,-1.8 -4,-0.2 -1,-0.2 0.861 80.6 43.3 -54.6 -44.7 43.1 36.8 17.6 29 36 A N H > S+ 0 0 68 -3,-0.3 4,-1.5 -4,-0.2 -1,-0.2 0.876 114.7 49.8 -70.6 -38.3 44.6 33.4 16.5 30 37 A L H > S+ 0 0 4 48,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.900 114.2 44.6 -67.0 -41.6 44.6 34.4 12.8 31 38 A N H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.843 112.6 50.6 -72.9 -34.7 46.4 37.7 13.4 32 39 A Q H X S+ 0 0 20 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.800 109.2 53.3 -73.3 -27.4 48.9 36.1 15.8 33 40 A F H < S+ 0 0 0 -4,-1.5 3,-0.5 2,-0.2 4,-0.5 0.946 108.7 48.0 -68.5 -49.6 49.6 33.5 13.2 34 41 A A H >< S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.897 106.2 59.3 -56.8 -42.2 50.3 36.2 10.6 35 42 A M H >< S+ 0 0 23 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.868 94.8 64.3 -54.3 -40.7 52.6 37.9 13.1 36 43 A S G >< S+ 0 0 15 -4,-1.2 3,-1.3 -3,-0.5 6,-0.3 0.683 84.2 75.3 -60.0 -18.0 54.7 34.8 13.3 37 44 A L G < S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.481 74.7 81.6 -76.0 2.5 55.7 35.2 9.6 38 45 A M G < S+ 0 0 27 -3,-1.8 2,-0.6 -4,-0.1 181,-0.3 0.787 78.0 75.4 -75.5 -28.1 58.0 38.1 10.7 39 46 A K S X> S- 0 0 105 -3,-1.3 4,-2.1 -4,-0.2 3,-0.8 -0.778 82.2-139.8 -87.7 123.0 60.6 35.5 11.7 40 47 A A H 3> S+ 0 0 40 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.852 100.5 59.7 -48.5 -42.8 62.3 34.1 8.6 41 48 A E H 3> S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.896 107.8 44.1 -54.9 -45.8 62.4 30.6 10.1 42 49 A N H <> S+ 0 0 26 -3,-0.8 4,-3.0 -6,-0.3 5,-0.3 0.911 109.5 57.0 -66.7 -43.2 58.6 30.6 10.4 43 50 A R H X S+ 0 0 24 -4,-2.1 4,-2.2 -7,-0.2 -2,-0.2 0.920 110.3 44.3 -51.6 -50.3 58.2 32.0 6.9 44 51 A E H X S+ 0 0 120 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.876 114.0 48.2 -66.6 -40.2 60.2 29.2 5.4 45 52 A R H >X S+ 0 0 112 -4,-1.9 4,-1.7 -5,-0.2 3,-0.6 0.968 112.0 49.1 -65.2 -50.9 58.5 26.4 7.5 46 53 A F H 3< S+ 0 0 0 -4,-3.0 3,-0.3 1,-0.3 7,-0.2 0.914 111.0 50.7 -52.0 -47.8 55.0 27.7 6.7 47 54 A K H 3< S+ 0 0 111 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.3 0.795 105.8 56.9 -62.0 -30.3 55.9 27.9 3.0 48 55 A A H << S- 0 0 85 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.870 134.4 -2.5 -69.8 -38.0 57.2 24.3 3.1 49 56 A D X + 0 0 93 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.3 -0.650 66.5 180.0-157.4 90.3 53.8 23.0 4.4 50 57 A E H > S+ 0 0 48 -3,-0.3 4,-3.4 1,-0.2 5,-0.3 0.941 83.2 52.3 -59.4 -51.6 51.2 25.6 5.0 51 58 A S H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 111.6 46.0 -54.2 -43.7 48.5 23.3 6.1 52 59 A A H 4 S+ 0 0 43 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.864 115.3 48.2 -68.6 -35.9 50.7 21.7 8.8 53 60 A Y H >< S+ 0 0 4 -4,-1.9 3,-1.6 -7,-0.2 -2,-0.2 0.933 109.2 51.5 -68.8 -48.1 51.9 25.1 9.9 54 61 A L H >< S+ 0 0 1 -4,-3.4 3,-2.2 1,-0.3 5,-0.5 0.835 98.3 67.6 -58.5 -34.6 48.4 26.5 10.2 55 62 A D G >< S+ 0 0 94 -4,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.703 90.7 62.9 -61.3 -20.2 47.3 23.6 12.3 56 63 A E G < S+ 0 0 103 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.536 97.2 60.1 -82.2 -4.9 49.6 24.8 15.1 57 64 A W G < S- 0 0 64 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.373 97.2-131.6-105.4 4.7 47.5 28.0 15.3 58 65 A N < + 0 0 129 -3,-0.7 2,-0.1 -4,-0.2 -3,-0.1 0.895 42.6 170.4 46.0 52.8 44.1 26.5 16.2 59 66 A L - 0 0 29 -5,-0.5 -1,-0.1 1,-0.1 -32,-0.0 -0.459 40.9 -98.3 -86.2 163.2 42.3 28.6 13.6 60 67 A T > - 0 0 69 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.468 36.2-110.0 -76.2 156.2 38.6 27.9 12.7 61 68 A P H > S+ 0 0 114 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.853 122.8 52.9 -56.0 -31.0 38.2 25.8 9.6 62 69 A A H > S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.902 110.4 45.6 -70.0 -41.9 36.8 29.0 8.0 63 70 A A H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 114.7 47.8 -68.8 -39.0 39.9 31.0 8.9 64 71 A K H X S+ 0 0 44 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.908 111.6 49.2 -68.4 -42.5 42.3 28.2 7.8 65 72 A A H X S+ 0 0 57 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.829 109.1 54.1 -66.4 -32.3 40.5 27.7 4.5 66 73 A A H X>S+ 0 0 5 -4,-1.5 5,-2.6 2,-0.2 4,-0.6 0.907 110.3 46.1 -68.1 -42.5 40.7 31.4 3.9 67 74 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.945 112.2 49.8 -65.1 -48.7 44.4 31.5 4.4 68 75 A L H 3<5S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 116.1 43.4 -60.2 -30.4 45.0 28.4 2.2 69 76 A A H 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.519 106.1-129.3 -93.1 -4.8 42.9 30.1 -0.5 70 77 A R T <<5 + 0 0 55 -3,-1.1 2,-1.0 -4,-0.6 -3,-0.2 0.920 50.1 160.0 55.9 44.1 44.6 33.5 0.0 71 78 A D >< - 0 0 77 -5,-2.6 4,-2.3 1,-0.2 -1,-0.2 -0.817 18.3-177.4 -99.7 94.5 41.1 35.0 0.2 72 79 A Y H > S+ 0 0 10 -2,-1.0 4,-2.2 1,-0.2 5,-0.2 0.838 79.6 54.1 -64.3 -35.4 41.6 38.3 2.0 73 80 A N H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.931 112.1 46.1 -65.0 -41.1 38.0 39.3 2.2 74 81 A A H > S+ 0 0 28 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.900 110.4 53.8 -65.2 -40.8 37.2 36.0 3.9 75 82 A M H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 -1,-0.2 0.871 108.1 49.2 -61.3 -39.0 40.2 36.4 6.2 76 83 A I H ><5S+ 0 0 7 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.850 106.0 57.7 -70.1 -32.4 38.9 39.8 7.3 77 84 A D H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 102.8 54.7 -65.2 -31.1 35.5 38.3 7.9 78 85 A E T 3<5S- 0 0 37 -4,-1.4 -1,-0.3 -3,-0.1 -48,-0.2 0.201 135.2 -87.6 -87.8 14.9 37.2 35.9 10.3 79 86 A G T < 5S+ 0 0 1 -3,-1.6 -52,-0.3 1,-0.3 -3,-0.2 0.540 77.0 151.2 94.6 7.4 38.6 38.8 12.2 80 87 A G < - 0 0 3 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.439 36.1-141.5 -73.2 147.0 41.9 39.3 10.3 81 88 A N >> - 0 0 11 -54,-0.2 4,-2.8 -2,-0.1 3,-0.9 -0.924 14.6-127.2-111.1 136.4 43.3 42.8 10.2 82 89 A V H 3> S+ 0 0 8 -2,-0.4 4,-0.7 1,-0.2 -1,-0.1 0.816 107.2 50.1 -49.4 -39.9 44.9 44.2 7.1 83 90 A Y H 34 S+ 0 0 14 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.788 113.7 44.3 -74.4 -27.4 48.2 45.2 8.8 84 91 A F H X4 S+ 0 0 5 -3,-0.9 3,-1.5 1,-0.2 4,-0.4 0.896 112.9 52.5 -78.4 -43.4 48.7 41.8 10.5 85 92 A L H >X S+ 0 0 2 -4,-2.8 4,-1.7 1,-0.3 3,-0.7 0.622 89.3 78.7 -66.8 -14.9 47.8 40.0 7.3 86 93 A S H 3X S+ 0 0 2 -4,-0.7 4,-1.8 1,-0.3 -1,-0.3 0.762 84.5 64.5 -65.6 -23.4 50.4 42.1 5.4 87 94 A K H <> S+ 0 0 0 -3,-1.5 4,-1.3 -4,-0.2 -1,-0.3 0.872 102.6 49.3 -65.1 -36.7 52.9 39.7 6.9 88 95 A L H <> S+ 0 0 0 -3,-0.7 4,-1.3 -4,-0.4 -2,-0.2 0.955 114.2 39.9 -70.9 -52.7 51.2 36.9 4.8 89 96 A F H <>S+ 0 0 2 -4,-1.7 5,-3.3 1,-0.2 4,-0.4 0.799 113.9 55.8 -70.7 -20.9 51.1 38.6 1.4 90 97 A S H ><5S+ 0 0 7 -4,-1.8 3,-0.7 -5,-0.2 -1,-0.2 0.859 104.1 54.7 -72.6 -32.9 54.6 40.0 2.1 91 98 A T H 3<5S+ 0 0 8 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.836 108.9 48.5 -65.4 -33.0 55.6 36.3 2.7 92 99 A D T 3<5S- 0 0 52 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.514 120.2-111.9 -83.6 -8.2 54.2 35.6 -0.8 93 100 A G T < 5 + 0 0 44 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.772 69.9 140.0 82.2 26.3 56.0 38.5 -2.4 94 101 A K < - 0 0 83 -5,-3.3 -1,-0.3 -8,-0.1 -2,-0.1 -0.809 46.9-126.1-105.7 148.3 52.9 40.5 -3.1 95 102 A S > - 0 0 61 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.258 27.0-107.9 -81.0 170.6 52.5 44.3 -2.6 96 103 A F H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.818 120.9 57.0 -69.2 -30.0 49.8 46.1 -0.6 97 104 A Q H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.825 104.4 51.3 -70.4 -31.5 48.3 47.2 -3.9 98 105 A F H > S+ 0 0 59 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.945 111.7 46.8 -69.0 -47.8 47.9 43.6 -5.0 99 106 A A H X S+ 0 0 1 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.942 114.7 46.3 -59.2 -48.8 46.2 42.6 -1.8 100 107 A A H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 4,-0.3 0.949 113.3 48.6 -60.1 -50.0 43.8 45.6 -1.9 101 108 A G H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 4,-0.5 0.870 103.3 62.2 -58.9 -37.0 43.0 45.1 -5.6 102 109 A S H 3< S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 3,-0.3 0.712 100.7 54.2 -63.5 -19.0 42.3 41.4 -4.9 103 110 A M T << S+ 0 0 7 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.448 98.7 63.5 -94.6 0.1 39.5 42.3 -2.5 104 111 A T S < S- 0 0 23 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.555 99.9-122.6-100.4 -12.5 37.6 44.5 -5.0 105 112 A G S S+ 0 0 75 -4,-0.5 2,-0.1 1,-0.3 -3,-0.1 0.296 74.8 116.7 87.9 -12.5 36.7 42.0 -7.7 106 113 A M S S- 0 0 42 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.439 75.9 -98.0 -83.2 164.5 38.5 43.9 -10.4 107 114 A T > - 0 0 72 -2,-0.1 4,-2.4 1,-0.1 3,-0.3 -0.488 37.8-106.7 -78.0 154.7 41.5 42.4 -12.3 108 115 A Q H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.906 122.5 50.2 -48.4 -42.3 44.8 43.5 -11.0 109 116 A E H > S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 107.7 50.1 -65.2 -41.9 45.1 45.6 -14.1 110 117 A E H > S+ 0 0 110 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.896 111.2 50.4 -64.5 -38.9 41.7 47.3 -13.9 111 118 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.905 110.5 49.2 -65.4 -41.2 42.5 48.2 -10.3 112 119 A A H X S+ 0 0 33 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.922 111.8 47.8 -64.7 -44.1 45.8 49.7 -11.2 113 120 A Q H X S+ 0 0 102 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.891 109.3 54.8 -64.0 -39.4 44.3 51.8 -14.0 114 121 A M H <>S+ 0 0 49 -4,-2.2 5,-3.1 2,-0.2 4,-0.3 0.895 107.7 48.8 -60.6 -43.0 41.6 53.0 -11.7 115 122 A M H ><5S+ 0 0 1 -4,-1.9 3,-1.6 3,-0.2 -1,-0.2 0.924 110.1 51.6 -63.8 -44.4 44.1 54.2 -9.2 116 123 A I H 3<5S+ 0 0 41 -4,-2.2 314,-0.4 1,-0.3 313,-0.3 0.909 107.2 53.8 -57.4 -44.0 46.0 56.0 -12.0 117 124 A D T 3<5S- 0 0 101 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.538 140.9 -76.8 -69.9 -6.6 42.8 57.7 -13.1 118 125 A G T < 5 - 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0 0 0 80,-0.2 -1,-0.2 47,-0.1 49,-0.2 0.324 69.5 -45.5 -95.2-126.2 46.2 60.4 3.3 326 194 B S S S+ 0 0 0 -2,-0.2 78,-1.1 12,-0.2 2,-0.3 -0.288 78.9 124.1 -59.2 135.5 42.8 59.1 2.1 327 195 B H - 0 0 5 41,-2.6 44,-0.9 76,-0.2 45,-0.9 -0.897 43.1-146.8 176.8 155.6 42.8 55.4 1.2 328 196 B Q + 0 0 0 74,-0.5 7,-1.9 8,-0.3 8,-0.2 -0.989 10.1 179.3-138.1 126.9 41.2 52.1 1.9 329 197 B L + 0 0 9 -2,-0.4 2,-0.3 5,-0.2 -226,-0.2 0.649 60.2 77.2 -98.8 -20.6 43.1 48.8 1.8 330 198 B Q S S- 0 0 11 3,-0.1 3,-0.5 -226,-0.0 40,-0.1 -0.685 84.6 -26.0-104.3 148.9 40.2 46.5 2.7 331 199 B G S > S- 0 0 0 -2,-0.3 3,-1.7 1,-0.2 -228,-0.2 0.111 99.2 -31.3 61.9-166.0 37.2 45.0 0.9 332 200 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -316,-0.1 0.622 133.7 55.5 -62.6 -18.9 35.1 46.0 -2.1 333 201 B R T > S+ 0 0 3 -318,-0.9 3,-1.3 -3,-0.5 -2,-0.2 0.311 77.0 126.4-100.5 6.1 35.6 49.7 -1.4 334 202 B A T < + 0 0 0 -3,-1.7 -5,-0.2 1,-0.2 3,-0.1 -0.308 59.3 49.7 -59.9 149.1 39.4 49.4 -1.4 335 203 B G T 3 S+ 0 0 0 -7,-1.9 -215,-3.0 1,-0.3 -1,-0.2 0.301 75.8 152.1 101.0 -9.4 40.8 52.0 -3.8 336 204 B L B < +a 120 0A 0 -3,-1.3 2,-0.4 -217,-0.2 -8,-0.3 -0.315 17.2 176.4 -60.2 132.3 38.8 54.8 -2.4 337 205 B I - 0 0 8 -217,-2.4 2,-0.4 -10,-0.1 3,-0.1 -0.996 14.0-169.4-137.4 134.8 40.5 58.3 -2.7 338 206 B N > + 0 0 11 -2,-0.4 4,-2.6 30,-0.2 3,-0.2 -0.711 10.5 172.4-129.0 82.8 38.9 61.5 -1.6 339 207 B K H > S+ 0 0 99 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 0.825 81.7 58.0 -59.7 -31.2 40.9 64.5 -2.9 340 208 B E H > S+ 0 0 143 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.950 110.2 42.8 -63.8 -46.7 38.2 66.8 -1.7 341 209 B F H > S+ 0 0 14 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 115.3 50.0 -61.6 -50.8 38.6 65.6 1.8 342 210 B D H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.913 111.9 44.8 -54.9 -53.6 42.4 65.5 1.7 343 211 B L H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.883 114.1 50.6 -62.9 -38.1 42.9 69.0 0.3 344 212 B N H X S+ 0 0 79 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.908 108.4 53.3 -65.8 -40.2 40.3 70.4 2.8 345 213 B F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.936 109.6 46.6 -59.5 -49.4 42.1 68.6 5.7 346 214 B I H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.928 113.0 52.1 -57.9 -46.1 45.5 70.2 4.7 347 215 B D H X S+ 0 0 94 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.923 114.6 39.0 -56.9 -51.5 43.8 73.5 4.5 348 216 B K H X S+ 0 0 65 -4,-2.9 4,-1.9 1,-0.2 8,-0.2 0.823 108.4 63.2 -72.4 -29.7 42.1 73.3 7.9 349 217 B L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.868 110.2 41.1 -61.9 -34.2 45.2 71.8 9.5 350 218 B I H < S+ 0 0 32 -4,-1.6 39,-0.3 -3,-0.2 -2,-0.2 0.959 131.3 19.7 -77.4 -53.9 47.0 75.0 8.6 351 219 B S H < S+ 0 0 84 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.801 135.6 22.1 -91.2 -33.0 44.5 77.6 9.5 352 220 B D >X + 0 0 68 -4,-1.9 4,-1.7 -5,-0.3 3,-0.7 -0.365 61.7 150.6-136.4 60.8 41.9 76.0 11.8 353 221 B P H 3> S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.838 73.1 61.8 -58.6 -36.5 43.4 73.0 13.6 354 222 B E H 34 S+ 0 0 118 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.870 108.5 42.5 -59.7 -37.4 41.3 73.4 16.7 355 223 B E H X4 S+ 0 0 92 -3,-0.7 3,-1.2 1,-0.2 4,-0.3 0.850 111.7 54.8 -77.0 -35.3 38.1 72.9 14.6 356 224 B L H >< S+ 0 0 8 -4,-1.7 3,-1.3 1,-0.3 -2,-0.2 0.822 99.2 62.3 -66.0 -32.3 39.7 70.0 12.6 357 225 B S T 3< S+ 0 0 8 -4,-2.1 -62,-0.4 1,-0.3 -1,-0.3 0.567 93.7 64.4 -71.9 -6.9 40.4 68.2 15.9 358 226 B K T < S+ 0 0 138 -3,-1.2 -1,-0.3 -64,-0.2 -2,-0.2 0.652 73.7 115.9 -88.3 -17.4 36.7 68.1 16.6 359 227 B M < - 0 0 20 -3,-1.3 -65,-0.4 -4,-0.3 -64,-0.1 -0.324 66.1-129.6 -56.6 124.0 36.2 65.9 13.5 360 228 B P >> - 0 0 65 0, 0.0 4,-1.0 0, 0.0 3,-1.0 -0.350 16.2-112.2 -76.3 156.5 34.9 62.5 14.7 361 229 B H H >> S+ 0 0 13 1,-0.3 4,-2.2 2,-0.2 3,-1.0 0.905 114.1 62.0 -52.4 -47.6 36.4 59.1 13.7 362 230 B I H 3> S+ 0 0 17 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.819 100.0 54.8 -51.8 -34.9 33.3 58.2 11.8 363 231 B Q H <> S+ 0 0 84 -3,-1.0 4,-1.9 2,-0.2 5,-0.4 0.854 108.0 48.2 -69.7 -33.9 33.8 61.1 9.4 364 232 B Y H < - 0 0 0 -4,-0.8 3,-0.8 -5,-0.5 4,-0.4 0.006 42.0 -76.8 96.1 153.6 38.5 55.4 3.7 370 238 B S G > S+ 0 0 4 1,-0.3 3,-0.6 2,-0.2 -42,-0.2 0.851 133.9 41.7 -56.9 -34.8 38.9 53.0 6.7 371 239 B E G > S+ 0 0 15 -44,-0.9 3,-1.5 1,-0.2 -1,-0.3 0.632 92.8 82.8 -89.8 -10.6 42.7 53.4 6.6 372 240 B G G X + 0 0 0 -45,-0.9 3,-2.1 -3,-0.8 -1,-0.2 0.630 65.6 90.2 -65.6 -11.5 42.6 57.2 6.1 373 241 B V G X + 0 0 2 -3,-0.6 3,-2.0 -4,-0.4 -1,-0.3 0.631 62.3 86.6 -60.3 -12.5 42.0 57.6 9.8 374 242 B E G X + 0 0 5 -3,-1.5 3,-2.0 1,-0.3 -1,-0.3 0.757 68.9 80.2 -58.6 -24.9 45.9 57.7 10.0 375 243 B L G X S+ 0 0 0 -3,-2.1 3,-1.2 1,-0.3 4,-0.4 0.639 70.5 78.4 -58.8 -16.7 45.5 61.5 9.4 376 244 B V G X S+ 0 0 0 -3,-2.0 3,-1.4 1,-0.3 4,-0.4 0.840 85.0 64.0 -63.0 -28.2 44.6 62.0 13.1 377 245 B M G X> S+ 0 0 0 -3,-2.0 4,-1.1 1,-0.3 3,-1.0 0.746 87.6 67.8 -66.3 -24.2 48.3 61.7 13.7 378 246 B W H <> S+ 0 0 0 -3,-1.2 4,-2.3 -4,-0.3 -1,-0.3 0.729 91.2 64.0 -67.7 -20.5 48.9 64.9 11.7 379 247 B L H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.4 -1,-0.3 0.751 95.2 57.7 -74.0 -25.1 47.1 66.7 14.5 380 248 B I H <> S+ 0 0 0 -3,-1.0 4,-0.7 -4,-0.4 -1,-0.2 0.926 109.3 44.4 -69.2 -45.3 49.8 65.8 16.9 381 249 B M H >< S+ 0 0 0 -4,-1.1 3,-1.3 1,-0.2 4,-0.4 0.958 114.5 49.8 -62.0 -49.8 52.4 67.5 14.7 382 250 B R H >< S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.894 105.5 56.5 -56.9 -43.9 50.1 70.5 14.2 383 251 B G H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.666 98.3 61.8 -64.8 -16.5 49.5 70.8 17.9 384 252 B A T << S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.571 97.3 73.6 -84.4 -9.2 53.2 71.1 18.6 385 253 B L S < S- 0 0 9 -3,-1.9 4,-0.1 -4,-0.4 -248,-0.1 -0.728 91.3-103.5-102.6 153.2 53.2 74.3 16.4 386 254 B P - 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0 0 0 -78,-1.1 2,-0.4 -5,-0.2 -6,-0.2 -0.967 44.7-140.0-107.0 123.6 46.7 59.9 -2.1 405 273 B L E + F 0 397B 0 -8,-3.5 -8,-2.5 -2,-0.5 2,-0.3 -0.774 24.7 176.3 -98.6 135.4 50.1 61.1 -1.0 406 274 B G E + F 0 396B 0 -2,-0.4 2,-0.3 -10,-0.2 -263,-0.3 -0.966 6.5 168.2-134.9 150.1 50.7 64.3 0.9 407 275 B A E + F 0 395B 3 -12,-1.8 -12,-2.9 -2,-0.3 2,-0.3 -0.959 9.7 166.1-158.1 139.8 53.8 66.0 2.4 408 276 B M E -CF 141 394B 2 -267,-1.5 -267,-1.8 -2,-0.3 2,-0.4 -0.986 28.7-134.0-155.9 164.7 54.4 69.5 3.8 409 277 B I E -CF 140 393B 0 -16,-2.1 -17,-2.1 -2,-0.3 -16,-1.1 -0.990 24.3-179.8-124.2 125.1 56.6 71.8 5.8 410 278 B L E +CF 139 391B 0 -271,-3.6 -271,-3.6 -2,-0.4 -19,-0.2 -0.962 2.8 176.7-126.4 144.0 55.2 74.1 8.4 411 279 B Q E - F 0 390B 16 -21,-1.8 -21,-3.2 -2,-0.4 -273,-0.2 -0.967 43.9 -87.8-140.9 152.7 57.0 76.5 10.6 412 280 B P E >> - F 0 389B 12 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.445 36.9-127.5 -62.4 133.5 55.8 79.0 13.2 413 281 B E T 34 S+ 0 0 75 -25,-2.3 3,-0.3 1,-0.3 -24,-0.1 0.886 106.8 64.4 -47.2 -43.4 55.0 82.3 11.4 414 282 B E T 34 S+ 0 0 189 -26,-0.4 -1,-0.3 1,-0.2 -25,-0.1 0.806 122.9 13.4 -50.7 -40.5 57.2 84.1 13.9 415 283 B T T <4 S+ 0 0 64 -3,-1.4 -1,-0.2 -278,-0.1 -2,-0.2 0.304 95.1 135.2-122.3 5.8 60.3 82.3 12.8 416 284 B A < - 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0 0 15 -3,-0.9 2,-0.3 -6,-0.1 -1,-0.2 -0.967 46.5-172.1-131.2 143.0 65.8 57.0 50.1 449 24 C R - 0 0 36 -2,-0.4 -6,-0.1 -3,-0.1 314,-0.0 -0.800 21.9-146.6-135.7 89.6 66.6 56.7 46.4 450 25 C V - 0 0 5 -2,-0.3 2,-1.9 -8,-0.2 5,-0.2 -0.309 23.8-114.5 -59.5 134.6 63.5 57.2 44.3 451 26 C F + 0 0 12 268,-0.2 270,-2.3 4,-0.1 2,-0.1 -0.510 53.4 165.0 -75.2 84.1 63.5 55.1 41.2 452 27 C T >> - 0 0 18 -2,-1.9 4,-2.7 268,-0.2 3,-0.9 -0.449 54.4 -94.0 -96.0 171.4 63.7 57.9 38.6 453 28 C A H 3> S+ 0 0 3 268,-0.3 4,-2.9 1,-0.3 5,-0.2 0.864 124.0 58.1 -50.7 -42.6 64.5 57.7 34.9 454 29 C Q H 3> S+ 0 0 148 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.860 111.7 40.3 -58.4 -38.8 68.1 58.5 35.6 455 30 C R H <> S+ 0 0 57 -3,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.868 112.7 55.4 -77.3 -39.5 68.4 55.5 37.9 456 31 C A H < S+ 0 0 1 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.914 107.6 49.7 -59.2 -44.0 66.4 53.3 35.5 457 32 C R H >< S+ 0 0 101 -4,-2.9 3,-0.6 -5,-0.2 4,-0.2 0.896 113.1 46.4 -63.9 -38.8 68.7 54.1 32.7 458 33 C K H 3< S+ 0 0 128 -4,-1.2 3,-0.4 -5,-0.2 4,-0.3 0.918 117.6 40.8 -70.5 -44.3 71.8 53.2 34.8 459 34 C G T 3X S+ 0 0 1 -4,-2.9 4,-3.1 52,-0.4 5,-0.3 0.294 79.2 114.2 -89.9 12.5 70.4 50.0 36.2 460 35 C Y H <> S+ 0 0 55 -3,-0.6 4,-1.9 -4,-0.5 -1,-0.2 0.895 81.9 40.8 -46.5 -52.5 68.8 48.8 33.0 461 36 C N H > S+ 0 0 65 -3,-0.4 4,-2.4 -4,-0.2 -1,-0.2 0.906 115.9 49.2 -65.2 -44.9 71.2 45.8 32.6 462 37 C L H > S+ 0 0 5 -4,-0.3 4,-2.1 48,-0.2 -2,-0.2 0.896 114.0 46.3 -63.2 -41.1 71.2 44.9 36.3 463 38 C N H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.843 113.0 49.2 -71.5 -33.8 67.4 45.0 36.5 464 39 C Q H X S+ 0 0 20 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.865 109.1 52.7 -74.0 -34.5 67.1 43.0 33.3 465 40 C F H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.945 109.2 49.9 -62.9 -46.4 69.5 40.4 34.6 466 41 C A H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.3 -2,-0.2 0.902 105.3 57.1 -58.9 -40.8 67.4 40.1 37.7 467 42 C M H >< S+ 0 0 20 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.847 94.9 67.3 -58.8 -33.6 64.3 39.6 35.6 468 43 C S G X< S+ 0 0 16 -4,-1.4 3,-1.2 -3,-0.6 -1,-0.3 0.682 84.9 72.0 -61.1 -18.6 66.0 36.6 33.9 469 44 C L G < S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.351 71.6 86.3 -81.8 8.7 65.7 34.7 37.2 470 45 C M G < S+ 0 0 35 -3,-1.7 2,-0.5 180,-0.1 181,-0.3 0.609 78.1 79.1 -79.8 -12.5 62.0 34.4 36.7 471 46 C K S <> S- 0 0 124 -3,-1.2 4,-2.0 1,-0.1 3,-0.3 -0.867 79.2-142.3-100.1 126.4 62.8 31.3 34.7 472 47 C A H > S+ 0 0 43 -2,-0.5 4,-2.0 1,-0.2 5,-0.1 0.851 101.6 52.5 -53.8 -40.7 63.6 28.1 36.7 473 48 C E H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 108.0 50.6 -64.8 -40.9 66.3 27.1 34.2 474 49 C N H > S+ 0 0 23 -3,-0.3 4,-2.9 -6,-0.2 -1,-0.2 0.880 108.7 52.6 -64.0 -38.6 68.0 30.5 34.4 475 50 C R H X S+ 0 0 19 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.908 109.4 48.8 -62.6 -43.6 68.0 30.2 38.2 476 51 C E H X S+ 0 0 118 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 113.4 46.7 -63.7 -42.2 69.7 26.8 38.1 477 52 C R H X S+ 0 0 119 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 112.2 50.0 -66.7 -43.7 72.3 28.1 35.6 478 53 C F H < S+ 0 0 1 -4,-2.9 7,-0.2 1,-0.2 -2,-0.2 0.929 112.2 48.2 -59.6 -45.6 72.9 31.2 37.8 479 54 C K H < S+ 0 0 116 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.902 104.8 59.7 -61.9 -42.3 73.3 29.1 40.8 480 55 C A H < S- 0 0 86 -4,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.944 133.9 -5.6 -51.0 -55.1 75.7 26.7 39.0 481 56 C D X - 0 0 88 -4,-1.9 4,-1.8 1,-0.1 -1,-0.3 -0.811 65.8-176.4-147.6 100.4 78.2 29.5 38.4 482 57 C E H > S+ 0 0 49 -3,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.938 84.1 51.1 -62.4 -52.4 77.1 33.0 39.4 483 58 C S H > S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 110.9 48.5 -53.3 -49.8 80.1 34.9 38.0 484 59 C A H > S+ 0 0 38 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.904 111.0 51.9 -57.9 -43.5 79.8 33.3 34.6 485 60 C Y H >< S+ 0 0 4 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.943 107.1 52.0 -58.1 -51.0 76.1 34.1 34.5 486 61 C L H ><>S+ 0 0 1 -4,-2.7 3,-1.9 1,-0.3 5,-0.6 0.789 96.6 69.0 -58.2 -30.2 76.7 37.7 35.3 487 62 C D H ><5S+ 0 0 100 -4,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.758 91.6 60.2 -63.1 -23.8 79.3 38.1 32.5 488 63 C E T <<5S+ 0 0 106 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.427 99.5 59.0 -83.8 3.1 76.5 37.6 29.9 489 64 C W T < 5S- 0 0 70 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.339 97.1-130.5-114.1 6.9 74.7 40.8 31.2 490 65 C N T < 5 + 0 0 133 -3,-0.7 -29,-0.1 -4,-0.2 -3,-0.1 0.870 41.3 173.4 46.4 48.3 77.4 43.4 30.7 491 66 C L < - 0 0 23 -5,-0.6 -1,-0.1 -30,-0.1 -32,-0.0 -0.431 39.5-100.5 -78.9 159.7 77.1 44.8 34.2 492 67 C T > - 0 0 72 1,-0.1 4,-2.7 18,-0.1 5,-0.3 -0.522 37.0-107.7 -76.0 151.0 79.6 47.4 35.4 493 68 C P H > S+ 0 0 118 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.869 122.4 51.7 -46.4 -38.2 82.4 45.9 37.6 494 69 C A H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.948 110.2 45.9 -63.9 -50.8 80.7 47.7 40.5 495 70 C A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 111.2 53.1 -59.5 -44.0 77.2 46.2 39.8 496 71 C K H X S+ 0 0 41 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 110.5 46.8 -58.4 -46.7 78.6 42.7 39.3 497 72 C A H X S+ 0 0 57 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.910 108.2 56.2 -62.0 -44.3 80.5 42.8 42.6 498 73 C A H <>S+ 0 0 6 -4,-2.3 5,-2.6 2,-0.2 4,-0.2 0.866 109.3 47.0 -56.5 -39.9 77.4 44.1 44.4 499 74 C V H ><5S+ 0 0 0 -4,-1.9 3,-1.4 2,-0.2 -2,-0.2 0.958 113.0 46.3 -68.3 -51.1 75.4 41.1 43.1 500 75 C L H 3<5S+ 0 0 70 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.763 117.8 45.2 -63.6 -23.6 78.0 38.5 44.1 501 76 C A T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.446 104.9-134.3 -96.5 -2.7 78.3 40.2 47.4 502 77 C R T < 5 + 0 0 51 -3,-1.4 2,-1.0 -4,-0.2 -3,-0.2 0.887 47.8 157.6 49.1 42.3 74.5 40.4 47.8 503 78 C D >< - 0 0 79 -5,-2.6 4,-1.9 1,-0.2 -1,-0.2 -0.849 20.7-174.8 -97.7 99.0 74.9 44.0 48.9 504 79 C Y H > S+ 0 0 7 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.779 81.1 56.2 -67.9 -26.9 71.4 45.4 48.0 505 80 C N H > S+ 0 0 41 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 109.4 46.8 -70.3 -39.8 72.4 48.9 49.0 506 81 C A H > S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.877 110.7 53.0 -67.5 -37.7 75.2 48.8 46.5 507 82 C M H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-0.3 0.889 107.8 49.9 -66.0 -38.7 72.9 47.3 43.9 508 83 C I H ><5S+ 0 0 7 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.833 106.1 57.4 -69.3 -29.6 70.4 50.1 44.3 509 84 C D H 3<5S+ 0 0 86 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 103.3 54.7 -68.1 -28.0 73.3 52.6 43.9 510 85 C E T 3<5S- 0 0 37 -4,-1.1 -1,-0.3 -3,-0.3 -48,-0.2 0.302 133.1 -89.4 -88.7 9.2 74.0 51.0 40.6 511 86 C G T < 5S+ 0 0 1 -3,-1.4 -52,-0.4 1,-0.3 -3,-0.2 0.457 77.3 147.5 100.3 0.6 70.4 51.6 39.4 512 87 C G < - 0 0 3 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.3 -0.331 39.8-137.1 -69.3 152.6 68.8 48.4 40.6 513 88 C N >> - 0 0 12 -54,-0.2 4,-3.1 1,-0.1 3,-0.9 -0.948 12.7-129.3-114.9 133.6 65.1 48.5 41.6 514 89 C V H 3> S+ 0 0 8 -2,-0.5 4,-1.2 1,-0.3 -1,-0.1 0.828 108.5 50.2 -45.4 -42.7 63.9 46.7 44.7 515 90 C Y H 34 S+ 0 0 14 2,-0.2 -1,-0.3 1,-0.2 4,-0.3 0.839 113.6 44.6 -70.2 -32.3 61.0 45.0 42.9 516 91 C F H X4 S+ 0 0 2 -3,-0.9 3,-1.5 1,-0.2 4,-0.3 0.924 114.1 50.2 -73.8 -45.9 63.3 43.8 40.1 517 92 C L H >X S+ 0 0 1 -4,-3.1 4,-1.6 1,-0.3 3,-1.3 0.670 89.2 79.5 -66.4 -19.3 65.9 42.7 42.6 518 93 C S H 3X S+ 0 0 2 -4,-1.2 4,-1.3 -5,-0.3 -1,-0.3 0.785 85.7 64.0 -59.8 -23.6 63.3 40.8 44.6 519 94 C K H <> S+ 0 0 0 -3,-1.5 4,-1.5 -4,-0.3 -1,-0.3 0.848 101.8 50.3 -67.0 -33.9 63.8 38.2 41.9 520 95 C L H <> S+ 0 0 0 -3,-1.3 4,-0.9 -4,-0.3 -2,-0.2 0.970 114.1 38.8 -71.2 -56.0 67.4 37.8 43.1 521 96 C F H X>S+ 0 0 2 -4,-1.6 5,-2.8 1,-0.2 4,-0.5 0.722 112.3 61.3 -70.4 -14.3 66.8 37.3 46.8 522 97 C S H ><5S+ 0 0 8 -4,-1.3 3,-0.8 -5,-0.3 -1,-0.2 0.919 104.7 45.7 -74.0 -42.5 63.8 35.2 46.0 523 98 C T H 3<5S+ 0 0 8 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.679 109.8 57.0 -71.6 -16.1 65.9 32.7 44.1 524 99 C D H 3<5S- 0 0 62 -4,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.646 119.6-116.9 -83.8 -19.5 68.2 32.9 47.2 525 100 C G T <<5S+ 0 0 40 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.2 0.510 70.1 132.8 94.7 8.0 65.2 31.9 49.3 526 101 C K < - 0 0 82 -5,-2.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.527 49.2-125.3 -91.5 158.4 65.0 35.2 51.3 527 102 C S > - 0 0 59 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.361 26.6-105.4 -94.9 177.0 62.0 37.3 52.0 528 103 C F H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 122.6 56.4 -68.5 -36.7 61.2 41.0 51.4 529 104 C Q H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.888 105.1 52.1 -61.9 -39.3 61.7 41.5 55.2 530 105 C F H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.970 111.0 45.5 -60.4 -54.8 65.2 40.0 54.9 531 106 C A H X S+ 0 0 2 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.885 114.0 48.9 -56.2 -44.1 66.2 42.3 52.1 532 107 C A H >< S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 4,-0.2 0.960 113.3 45.0 -64.0 -51.9 64.8 45.4 53.7 533 108 C G H >X>S+ 0 0 4 -4,-2.4 3,-2.1 1,-0.3 5,-0.7 0.866 104.5 63.4 -60.3 -36.8 66.4 44.8 57.1 534 109 C S H 3<5S+ 0 0 52 -4,-2.5 -1,-0.3 1,-0.3 3,-0.3 0.707 100.0 55.5 -61.8 -17.8 69.7 43.9 55.5 535 110 C M T <<5S+ 0 0 5 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.419 98.3 61.4 -96.0 1.3 69.8 47.5 54.2 536 111 C T T <45S- 0 0 28 -3,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.522 102.6-124.2-101.8 -9.1 69.5 49.1 57.6 537 112 C G T <5S+ 0 0 73 -4,-0.5 -3,-0.1 1,-0.3 2,-0.1 0.457 72.9 126.5 79.4 -3.3 72.6 47.7 59.0 538 113 C M < - 0 0 45 -5,-0.7 -1,-0.3 1,-0.1 -2,-0.2 -0.438 69.2-101.9 -81.6 162.3 70.5 46.2 61.8 539 114 C T > - 0 0 78 -2,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.552 31.0-111.5 -83.4 151.6 70.6 42.5 62.6 540 115 C Q H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.832 120.1 50.7 -51.0 -33.8 67.7 40.4 61.3 541 116 C E H > S+ 0 0 153 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 111.7 43.9 -72.2 -47.0 66.6 40.0 64.9 542 117 C E H > S+ 0 0 102 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.914 111.6 53.9 -66.0 -42.4 66.6 43.6 65.8 543 118 C Y H X S+ 0 0 1 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.917 110.4 48.1 -57.3 -42.8 64.9 44.6 62.6 544 119 C A H X S+ 0 0 32 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.893 110.9 49.9 -64.5 -41.5 62.2 42.1 63.4 545 120 C Q H X S+ 0 0 97 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.891 108.7 53.9 -63.9 -39.0 61.8 43.4 66.9 546 121 C M H <>S+ 0 0 44 -4,-2.7 5,-2.9 2,-0.2 4,-0.2 0.890 109.0 47.1 -61.8 -43.0 61.6 47.0 65.6 547 122 C M H ><5S+ 0 0 1 -4,-1.9 3,-1.5 3,-0.2 -1,-0.2 0.906 109.6 53.9 -66.8 -40.8 58.7 46.1 63.2 548 123 C I H 3<5S+ 0 0 44 -4,-2.2 314,-0.3 1,-0.3 313,-0.3 0.873 108.0 52.5 -59.4 -37.1 57.0 44.3 66.1 549 124 C D T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.445 138.8 -75.4 -80.7 -1.1 57.3 47.5 68.1 550 125 C G T < 5 - 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