==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 17-SEP-09 3JVT . COMPND 2 MOLECULE: MYOSIN HEAVY CHAIN, STRIATED ADDUCTOR MUSCLE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARGOPECTEN IRRADIANS; . AUTHOR D.M.HIMMEL,S.MUI,E.O'NEALL-HENNESSEY,A.SZENT-GYORGYI,C.COHEN . 375 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 14 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 1 2 3 5 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 1 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 . 2 1 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 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 1 775 A D > 0 0 175 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -93.3 -34.3 -19.7 -16.9 2 776 A E H > + 0 0 129 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.828 360.0 49.6 -66.9 -28.4 -34.2 -18.6 -13.3 3 777 A R H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.945 110.6 47.3 -72.3 -50.0 -32.0 -21.7 -12.9 4 778 A L H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 111.6 52.5 -56.3 -47.0 -29.8 -20.6 -15.9 5 779 A S H X S+ 0 0 55 -4,-3.3 4,-2.2 1,-0.2 331,-0.3 0.920 110.6 46.4 -56.1 -46.0 -29.6 -17.1 -14.4 6 780 A K H X S+ 0 0 67 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.926 111.8 50.9 -64.4 -43.9 -28.5 -18.4 -11.0 7 781 A I H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.917 109.8 50.2 -59.2 -46.8 -25.9 -20.8 -12.6 8 782 A I H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.932 110.7 49.7 -58.2 -44.8 -24.5 -17.9 -14.6 9 783 A S H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 108.5 52.6 -64.5 -34.2 -24.2 -15.7 -11.5 10 784 A M H X S+ 0 0 5 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.869 108.4 51.0 -69.3 -33.1 -22.5 -18.5 -9.6 11 785 A F H X S+ 0 0 3 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.903 109.9 49.5 -69.3 -39.6 -20.0 -18.7 -12.5 12 786 A Q H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.867 107.5 54.8 -64.9 -35.7 -19.5 -14.9 -12.3 13 787 A A H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.876 105.1 52.8 -63.8 -37.6 -18.9 -15.2 -8.5 14 788 A H H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.914 111.6 47.7 -62.5 -42.9 -16.2 -17.8 -9.2 15 789 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.919 110.4 50.0 -63.5 -45.6 -14.7 -15.2 -11.5 16 790 A R H X S+ 0 0 44 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.891 112.5 49.1 -60.2 -38.4 -15.0 -12.5 -8.8 17 791 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.935 110.1 50.2 -65.1 -48.0 -13.4 -14.9 -6.4 18 792 A Y H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.924 111.8 47.9 -54.0 -53.6 -10.5 -15.6 -8.8 19 793 A L H X S+ 0 0 19 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.913 114.1 44.2 -58.6 -48.2 -9.8 -11.9 -9.5 20 794 A I H X S+ 0 0 42 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.928 114.0 49.9 -66.5 -41.8 -9.8 -10.9 -5.9 21 795 A R H < S+ 0 0 19 -4,-2.8 4,-0.5 1,-0.2 3,-0.2 0.842 109.5 52.9 -64.9 -30.3 -7.7 -13.9 -4.8 22 796 A K H < S+ 0 0 78 -4,-2.0 3,-0.5 -5,-0.2 4,-0.4 0.901 108.7 50.3 -68.3 -40.8 -5.3 -13.1 -7.7 23 797 A A H X S+ 0 0 46 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.647 89.4 86.6 -72.4 -14.7 -5.0 -9.5 -6.4 24 798 A Y H X S+ 0 0 44 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.883 84.4 50.1 -54.2 -50.9 -4.3 -10.6 -2.8 25 799 A K H > S+ 0 0 107 -4,-0.5 4,-2.7 -3,-0.5 -1,-0.2 0.886 110.9 50.6 -58.6 -40.9 -0.5 -11.0 -3.0 26 800 A K H > S+ 0 0 96 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.909 109.5 50.7 -65.9 -41.5 -0.1 -7.5 -4.6 27 801 A L H X S+ 0 0 44 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.899 111.4 48.4 -63.1 -39.6 -2.2 -6.0 -1.8 28 802 A Q H X S+ 0 0 61 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.936 113.3 46.9 -64.2 -45.7 -0.0 -7.7 0.8 29 803 A D H X S+ 0 0 56 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.911 112.2 51.0 -62.3 -42.5 3.2 -6.5 -0.9 30 804 A Q H X S+ 0 0 18 -4,-2.9 4,-3.8 2,-0.2 5,-0.3 0.827 103.3 57.2 -66.5 -32.6 1.8 -3.0 -1.2 31 805 A R H X S+ 0 0 57 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.912 109.2 47.9 -63.6 -38.2 0.8 -2.7 2.4 32 806 A I H X S+ 0 0 97 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.938 114.0 46.9 -64.1 -47.1 4.4 -3.4 3.2 33 807 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.939 113.2 45.9 -60.5 -50.4 5.5 -0.8 0.6 34 808 A L H X S+ 0 0 0 -4,-3.8 4,-3.1 1,-0.2 5,-0.3 0.884 111.3 55.5 -62.8 -35.0 3.1 1.9 1.9 35 809 A S H X S+ 0 0 22 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.944 108.0 47.4 -61.5 -45.8 4.1 1.1 5.4 36 810 A V H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.936 114.3 47.4 -59.4 -49.5 7.8 1.7 4.5 37 811 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.961 113.9 45.5 -57.7 -54.0 6.9 4.9 2.8 38 812 A Q H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.922 115.5 48.3 -56.7 -45.4 4.7 6.3 5.6 39 813 A R H X S+ 0 0 112 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.920 113.2 43.8 -62.8 -48.5 7.2 5.3 8.3 40 814 A N H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.816 111.7 52.6 -72.2 -30.1 10.4 6.7 6.7 41 815 A I H X S+ 0 0 3 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.921 110.9 48.7 -68.4 -43.2 8.8 10.0 5.6 42 816 A R H X S+ 0 0 60 -4,-1.9 4,-3.0 -5,-0.3 5,-0.2 0.937 109.6 51.4 -61.4 -45.2 7.6 10.5 9.2 43 817 A K H X S+ 0 0 102 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.915 111.5 48.8 -55.5 -42.5 11.1 9.7 10.5 44 818 A W H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.892 110.4 50.5 -64.7 -40.1 12.3 12.3 8.1 45 819 A L H X S+ 0 0 8 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.917 111.5 47.5 -64.2 -44.9 9.7 14.8 9.3 46 820 A V H >< S+ 0 0 79 -4,-3.0 3,-0.8 1,-0.2 4,-0.3 0.942 111.7 51.0 -61.1 -46.6 10.7 14.2 12.9 47 821 A L H >< S+ 0 0 24 -4,-2.6 3,-1.8 1,-0.3 6,-0.3 0.915 105.5 55.7 -56.8 -46.2 14.4 14.6 12.1 48 822 A R H 3< S+ 0 0 73 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.764 110.3 46.2 -58.8 -28.2 13.8 17.9 10.3 49 823 A N T << S+ 0 0 84 -4,-1.1 2,-0.6 -3,-0.8 -1,-0.3 0.362 85.6 108.3 -98.1 5.4 12.1 19.2 13.4 50 824 A W X> - 0 0 20 -3,-1.8 4,-2.3 -4,-0.3 3,-1.0 -0.742 67.8-140.8 -83.9 120.5 14.9 18.0 15.8 51 825 A Q H 3> S+ 0 0 39 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.858 102.0 55.4 -49.9 -39.9 16.9 21.0 17.1 52 826 A W H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.884 109.2 46.3 -64.0 -36.1 20.1 19.1 16.9 53 827 A W H <> S+ 0 0 32 -3,-1.0 4,-2.9 -6,-0.3 -1,-0.2 0.877 110.9 53.2 -73.0 -34.5 19.4 18.3 13.2 54 828 A K H X S+ 0 0 77 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.934 113.2 43.7 -63.1 -44.3 18.5 21.9 12.6 55 829 A L H X S+ 0 0 3 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.946 114.6 48.8 -65.2 -46.9 21.9 22.9 14.1 56 830 A Y H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.2 0.917 111.6 50.2 -59.7 -44.8 23.8 20.3 12.3 57 831 A S H < S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 110.4 47.8 -62.6 -41.8 22.2 21.2 9.0 58 832 A K H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.749 113.0 50.8 -69.3 -26.0 22.9 24.9 9.3 59 833 A V H >< S+ 0 0 0 -4,-1.5 3,-2.1 -3,-0.2 -2,-0.2 0.804 89.6 79.6 -84.4 -31.8 26.5 24.2 10.3 60 834 A K G >< S+ 0 0 62 -4,-1.8 3,-3.3 1,-0.3 -1,-0.2 0.852 80.4 64.3 -43.7 -52.7 27.4 21.8 7.4 61 835 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.684 98.9 58.0 -49.1 -20.6 28.0 24.5 4.7 62 836 A L G < 0 0 78 -3,-2.1 -2,-0.2 -4,-0.1 -3,-0.1 0.396 360.0 360.0 -92.8 2.5 31.0 25.6 6.8 63 837 A L < 0 0 87 -3,-3.3 20,-0.1 -4,-0.2 24,-0.0 -0.278 360.0 360.0 -88.2 360.0 32.7 22.2 6.7 64 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 1 B A 0 0 55 0, 0.0 4,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 172.6 37.5 12.5 20.1 66 2 B D + 0 0 128 2,-0.2 3,-0.1 67,-0.0 23,-0.1 0.550 360.0 1.8-104.3 -14.5 38.7 15.2 17.8 67 3 B K S S+ 0 0 127 1,-0.4 2,-0.4 19,-0.0 18,-0.1 0.503 127.1 17.4-137.6 -59.3 39.3 13.7 14.4 68 4 B A S S+ 0 0 79 17,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.984 79.7 135.0-128.0 131.1 38.4 10.0 14.0 69 5 B A - 0 0 22 -2,-0.4 2,-0.3 -4,-0.1 16,-0.1 -0.965 33.8-164.0-176.0 154.5 36.2 8.3 16.4 70 6 B S - 0 0 82 -2,-0.3 64,-0.1 1,-0.1 -2,-0.0 -0.974 6.6-169.6-146.1 132.9 33.4 6.1 17.5 71 7 B G S S- 0 0 44 -2,-0.3 -1,-0.1 63,-0.2 2,-0.1 0.847 72.1 -14.0 -79.0 -34.5 31.7 5.7 20.8 72 8 B V S S- 0 0 79 62,-0.1 2,-0.4 2,-0.0 66,-0.0 -0.222 87.0 -60.3-129.0-157.5 29.9 2.6 19.8 73 9 B L S S+ 0 0 163 -2,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.839 70.5 148.3-116.5 76.1 28.6 0.1 17.6 74 10 B T - 0 0 24 -2,-0.4 64,-0.0 2,-0.1 68,-0.0 -0.808 46.7-141.3 -99.4 150.5 26.7 2.8 15.9 75 11 B K + 0 0 98 -2,-0.4 3,-0.1 66,-0.1 -2,-0.0 0.057 47.9 144.0-107.9 24.0 26.5 1.7 12.3 76 12 B L - 0 0 27 1,-0.1 -2,-0.1 2,-0.1 65,-0.0 -0.446 58.4-105.0 -69.7 131.1 27.1 5.2 10.8 77 13 B P >> - 0 0 60 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.268 28.3-116.6 -56.4 142.1 29.1 5.3 7.6 78 14 B Q H 3> S+ 0 0 153 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.780 112.7 57.7 -55.2 -26.8 32.7 6.6 8.2 79 15 B K H 3> S+ 0 0 145 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.907 109.0 41.3 -74.3 -43.7 31.9 9.5 5.9 80 16 B Q H <> S+ 0 0 40 -3,-0.8 4,-3.1 2,-0.2 5,-0.2 0.911 111.3 56.4 -68.0 -44.4 29.0 10.9 7.9 81 17 B I H X S+ 0 0 21 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.820 108.5 50.1 -55.2 -30.9 30.7 10.2 11.2 82 18 B Q H X S+ 0 0 41 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.2 0.902 108.3 50.2 -76.9 -47.4 33.5 12.4 9.8 83 19 B E H >X S+ 0 0 73 -4,-1.9 4,-2.2 2,-0.2 3,-0.7 0.977 110.3 51.5 -45.3 -61.7 31.2 15.2 8.8 84 20 B M H 3X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.3 -2,-0.2 0.859 106.2 54.9 -49.6 -39.5 29.7 15.1 12.3 85 21 B K H 3X S+ 0 0 22 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.3 0.906 110.4 44.4 -61.4 -42.9 33.1 15.3 13.8 86 22 B E H < + 0 0 8 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 -0.519 69.9 178.5 -82.4 73.2 32.2 23.6 20.1 93 29 B V T 3 S+ 0 0 65 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.866 73.5 50.2 -41.1 -59.8 32.9 27.3 19.9 94 30 B D T 3 S- 0 0 86 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.491 103.3-133.1 -67.3 0.6 35.4 27.6 22.8 95 31 B R < + 0 0 208 -3,-2.1 -2,-0.1 -6,-0.2 -1,-0.1 0.918 67.1 126.4 45.7 58.9 37.3 24.7 21.2 96 32 B D S S- 0 0 83 2,-0.4 -1,-0.1 -4,-0.1 3,-0.1 0.352 83.5-100.7-120.0 -4.0 37.7 22.8 24.5 97 33 B G S S+ 0 0 32 1,-0.3 36,-0.4 -5,-0.2 2,-0.3 0.441 93.2 84.9 98.1 -1.1 36.2 19.5 23.3 98 34 B F - 0 0 92 34,-0.1 2,-0.7 35,-0.1 -2,-0.4 -0.962 69.9-130.4-133.6 151.1 32.8 19.8 24.8 99 35 B V + 0 0 5 32,-2.0 2,-0.2 -2,-0.3 32,-0.2 -0.886 32.1 179.5-106.9 106.3 29.5 21.5 23.6 100 36 B S >> - 0 0 30 -2,-0.7 4,-2.5 1,-0.1 3,-0.5 -0.566 47.8 -99.3-100.0 167.2 27.9 23.7 26.3 101 37 B K H 3> S+ 0 0 55 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.783 126.3 57.2 -54.4 -25.7 24.8 25.8 26.2 102 38 B E H 3> S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.905 105.7 45.5 -73.3 -43.5 27.2 28.7 25.5 103 39 B D H <> S+ 0 0 3 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.940 113.6 50.7 -64.9 -45.0 28.7 27.1 22.4 104 40 B I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.876 112.3 46.5 -61.2 -38.8 25.3 26.2 21.1 105 41 B K H X S+ 0 0 95 -4,-1.6 4,-3.0 -5,-0.3 5,-0.2 0.944 114.0 48.0 -69.2 -46.9 24.0 29.7 21.6 106 42 B A H X S+ 0 0 36 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 113.4 44.2 -61.8 -51.2 27.1 31.3 20.0 107 43 B I H X S+ 0 0 2 -4,-2.8 4,-1.9 -16,-0.3 -1,-0.2 0.894 115.4 50.7 -63.7 -36.9 27.3 29.2 16.9 108 44 B S H X S+ 0 0 2 -4,-1.6 4,-1.2 -5,-0.3 -2,-0.2 0.957 109.4 48.3 -63.9 -50.4 23.5 29.5 16.5 109 45 B E H < S+ 0 0 116 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.881 110.2 55.3 -57.7 -35.0 23.5 33.3 16.8 110 46 B Q H < S+ 0 0 130 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.906 114.3 39.0 -62.1 -42.5 26.3 33.3 14.3 111 47 B L H < S- 0 0 50 -4,-1.9 2,-0.3 -3,-0.2 -1,-0.2 0.445 127.2 -73.3 -91.8 -0.5 24.2 31.3 11.8 112 48 B G S < S+ 0 0 40 -4,-1.2 -1,-0.2 -3,-0.5 2,-0.2 -0.979 90.7 3.1 144.7-158.0 20.8 33.0 12.4 113 49 B R - 0 0 239 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.446 69.7-140.5 -64.1 129.2 18.0 33.1 14.9 114 50 B A - 0 0 34 -2,-0.2 3,-0.1 1,-0.1 -9,-0.1 -0.634 19.9-105.1 -91.3 151.6 19.0 31.0 17.9 115 51 B P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.339 49.9 -92.4 -67.7 160.4 16.5 28.8 19.8 116 52 B D >> - 0 0 88 1,-0.1 4,-2.6 4,-0.0 3,-0.8 -0.354 37.9-101.7 -72.8 156.8 15.5 30.2 23.1 117 53 B D H 3> S+ 0 0 80 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.852 123.6 58.5 -44.9 -42.2 17.4 29.3 26.2 118 54 B K H 3> S+ 0 0 171 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.938 110.4 42.3 -55.7 -48.0 14.6 26.8 27.2 119 55 B E H <> S+ 0 0 83 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.885 113.5 53.2 -65.0 -38.5 15.2 25.0 23.9 120 56 B L H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.906 111.9 44.8 -60.9 -42.8 18.9 25.3 24.3 121 57 B T H X S+ 0 0 44 -4,-3.3 4,-1.7 -5,-0.2 -1,-0.2 0.852 110.6 55.1 -69.7 -38.3 18.6 23.7 27.8 122 58 B A H < S+ 0 0 54 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.754 108.6 46.7 -69.4 -26.7 16.3 21.0 26.5 123 59 B M H >< S+ 0 0 7 -4,-1.5 3,-0.8 2,-0.2 4,-0.3 0.831 110.2 52.2 -85.3 -30.7 18.6 19.9 23.8 124 60 B L H >< S+ 0 0 43 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.854 101.8 63.4 -68.9 -31.8 21.6 19.8 26.1 125 61 B K T 3< S+ 0 0 159 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.705 87.8 69.9 -62.9 -23.5 19.4 17.7 28.4 126 62 B E T < S+ 0 0 93 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.716 86.6 73.8 -71.0 -16.8 19.3 15.0 25.8 127 63 B A S < S- 0 0 11 -3,-1.6 2,-2.1 -4,-0.3 -1,-0.2 -0.824 73.6-157.2 -99.7 98.4 23.0 14.3 26.4 128 64 B P S S+ 0 0 106 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.506 70.7 8.4 -76.0 79.5 23.2 12.4 29.8 129 65 B G S S- 0 0 37 -2,-2.1 3,-0.0 2,-0.0 -2,-0.0 -0.544 118.2 -20.4 131.5 162.2 26.8 13.3 30.6 130 66 B P - 0 0 93 0, 0.0 2,-1.9 0, 0.0 5,-0.2 0.016 65.4-126.5 -34.8 130.7 29.6 15.6 29.2 131 67 B L + 0 0 13 -32,-0.2 -32,-2.0 4,-0.1 2,-0.1 -0.542 52.6 151.7 -88.3 77.3 28.6 16.4 25.7 132 68 B N > - 0 0 48 -2,-1.9 4,-2.6 -34,-0.2 3,-0.2 -0.331 66.5 -85.8 -93.0-178.6 31.9 15.3 24.1 133 69 B F H > S+ 0 0 3 -36,-0.4 4,-3.2 1,-0.2 5,-0.3 0.890 129.6 55.9 -57.6 -37.9 32.1 14.1 20.5 134 70 B T H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 111.6 43.6 -58.0 -44.0 31.3 10.5 21.7 135 71 B M H > S+ 0 0 31 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 112.7 52.8 -69.2 -41.1 28.1 11.8 23.3 136 72 B F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.962 112.6 43.1 -59.0 -51.9 27.4 13.9 20.2 137 73 B L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.870 111.0 58.7 -63.5 -34.4 27.7 11.0 17.8 138 74 B S H X S+ 0 0 31 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.938 106.6 44.1 -62.9 -48.5 25.8 8.8 20.2 139 75 B I H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.838 115.0 50.8 -69.4 -27.2 22.7 11.0 20.2 140 76 B F H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.918 111.6 44.8 -75.0 -42.7 22.8 11.4 16.5 141 77 B S H X S+ 0 0 8 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.900 111.9 52.6 -69.5 -34.6 23.1 7.7 15.7 142 78 B D H < S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.910 113.6 45.9 -62.8 -38.4 20.4 6.9 18.2 143 79 B K H < S+ 0 0 73 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.890 118.2 41.2 -69.4 -40.2 18.3 9.4 16.3 144 80 B L H < S+ 0 0 30 -4,-2.6 3,-0.4 -5,-0.1 -2,-0.2 0.623 93.2 108.1 -85.0 -11.2 19.2 8.1 12.9 145 81 B S < + 0 0 71 -4,-2.0 -3,-0.0 1,-0.2 -71,-0.0 -0.114 66.0 30.7 -67.0 157.9 19.0 4.4 13.6 146 82 B G S S+ 0 0 74 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.809 81.1 130.7 69.7 34.9 16.3 2.0 12.4 147 83 B T - 0 0 54 -3,-0.4 -1,-0.2 1,-0.0 2,-0.1 -0.847 58.2-104.0-115.1 157.7 15.4 3.6 9.1 148 84 B D - 0 0 36 -2,-0.3 2,-0.0 -112,-0.2 -1,-0.0 -0.352 38.0-102.5 -78.4 158.8 15.1 1.9 5.8 149 85 B S > - 0 0 58 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.319 28.3-110.2 -77.1 159.5 17.7 2.2 3.0 150 86 B E H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 120.8 53.0 -49.6 -43.4 17.3 4.4 -0.0 151 87 B E H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.937 109.4 46.0 -64.5 -46.2 16.9 1.2 -2.0 152 88 B T H > S+ 0 0 57 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 114.3 47.9 -64.0 -41.6 14.1 -0.2 0.1 153 89 B I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.944 111.8 50.6 -65.6 -46.5 12.2 3.0 0.2 154 90 B R H X S+ 0 0 57 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 110.9 47.7 -57.2 -45.9 12.6 3.4 -3.6 155 91 B N H X S+ 0 0 81 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.842 106.9 58.6 -64.9 -32.3 11.3 -0.1 -4.2 156 92 B A H >< S+ 0 0 2 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.957 110.0 42.8 -60.2 -50.9 8.4 0.6 -1.9 157 93 B F H >< S+ 0 0 1 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.911 107.8 59.9 -60.5 -43.8 7.4 3.5 -4.1 158 94 B A H >< S+ 0 0 31 -4,-2.5 3,-1.9 1,-0.3 6,-0.2 0.737 87.7 75.6 -60.5 -20.5 8.0 1.5 -7.2 159 95 B M T << S+ 0 0 60 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.653 99.6 43.6 -65.1 -14.5 5.4 -1.0 -6.0 160 96 B F T < S+ 0 0 8 -3,-2.2 -1,-0.3 -4,-0.2 2,-0.2 0.245 104.9 68.8-111.2 9.7 2.7 1.6 -7.0 161 97 B D X + 0 0 11 -3,-1.9 3,-1.9 -4,-0.1 5,-0.2 -0.643 57.2 166.6-129.1 70.0 4.5 2.4 -10.3 162 98 B E T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.862 76.3 53.5 -55.5 -41.7 4.0 -0.8 -12.3 163 99 B Q T 3 S- 0 0 170 -3,-0.1 -1,-0.3 1,-0.1 -5,-0.0 0.505 108.1-127.2 -76.4 -0.7 5.1 0.7 -15.6 164 100 B E < + 0 0 136 -3,-1.9 -2,-0.1 -6,-0.2 -1,-0.1 0.909 54.5 153.0 57.3 47.2 8.3 1.9 -13.9 165 101 B T - 0 0 71 2,-0.3 3,-0.1 -7,-0.1 -1,-0.1 0.709 56.3-126.7 -77.1 -19.4 7.9 5.5 -15.0 166 102 B K S S+ 0 0 93 1,-0.4 40,-0.8 -5,-0.2 2,-0.3 0.539 82.2 76.1 82.1 10.1 9.9 6.5 -11.9 167 103 B K - 0 0 62 37,-0.2 -1,-0.4 38,-0.1 2,-0.3 -0.894 66.4-143.5-141.3 169.5 7.2 8.8 -10.9 168 104 B L E -A 203 0A 7 35,-1.8 35,-3.6 -2,-0.3 2,-0.2 -0.983 36.3 -99.5-134.1 142.7 3.7 8.7 -9.3 169 105 B N E >> -A 202 0A 71 -2,-0.3 4,-2.2 33,-0.2 3,-0.6 -0.467 35.8-125.8 -61.9 133.7 0.7 10.9 -10.2 170 106 B I H 3> S+ 0 0 31 31,-2.5 4,-1.9 1,-0.2 5,-0.2 0.849 108.6 49.5 -51.4 -37.9 0.7 13.6 -7.5 171 107 B E H 3> S+ 0 0 119 30,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.854 108.8 53.0 -72.9 -32.7 -3.0 12.8 -6.6 172 108 B Y H <> S+ 0 0 82 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.963 111.7 43.4 -65.5 -52.3 -2.3 9.1 -6.3 173 109 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.902 114.9 50.3 -62.1 -38.9 0.6 9.4 -3.9 174 110 B K H X S+ 0 0 89 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.922 112.0 48.1 -65.0 -40.9 -1.3 12.0 -1.9 175 111 B D H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 5,-0.4 0.910 111.2 50.7 -64.5 -43.4 -4.3 9.7 -1.7 176 112 B L H X S+ 0 0 6 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.934 115.4 42.4 -58.9 -45.7 -2.1 6.7 -0.7 177 113 B L H < S+ 0 0 2 -4,-2.5 7,-2.7 -5,-0.2 -2,-0.2 0.883 122.9 34.5 -72.2 -38.0 -0.5 8.8 2.1 178 114 B E H < S+ 0 0 38 -4,-2.4 -2,-0.2 5,-0.2 -3,-0.2 0.821 127.5 30.1 -88.3 -33.8 -3.6 10.5 3.5 179 115 B N H < S+ 0 0 75 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.441 112.6 53.5-109.1 -2.2 -6.4 7.9 3.1 180 116 B M S < S- 0 0 40 -4,-1.0 4,-0.2 -5,-0.4 62,-0.2 -0.838 99.0 -1.1-129.9 167.5 -4.7 4.5 3.3 181 117 B G S S- 0 0 0 60,-2.1 64,-2.3 -2,-0.3 2,-1.5 -0.262 130.1 -7.0 57.6-137.0 -2.4 2.7 5.7 182 118 B D S S- 0 0 58 62,-0.2 -1,-0.2 -148,-0.1 -2,-0.1 -0.664 95.7-125.9 -91.9 81.0 -1.5 4.8 8.8 183 119 B N - 0 0 66 -2,-1.5 -5,-0.2 1,-0.1 2,-0.2 0.120 10.9-130.2 -34.6 123.5 -3.1 8.0 7.5 184 120 B F - 0 0 4 -7,-2.7 2,-0.1 -4,-0.2 -1,-0.1 -0.524 27.2-129.6 -63.3 145.7 -0.9 11.1 7.4 185 121 B N > - 0 0 80 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.441 31.3 -91.9 -91.4 172.9 -2.7 14.0 9.0 186 122 B K H > S+ 0 0 152 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.852 126.0 50.4 -56.1 -37.0 -3.1 17.4 7.4 187 123 B D H > S+ 0 0 73 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.922 110.6 47.9 -69.7 -41.5 0.1 18.7 8.9 188 124 B E H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 113.0 50.6 -62.7 -41.6 2.2 15.7 7.9 189 125 B M H X S+ 0 0 14 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.969 112.2 45.8 -60.1 -51.8 0.7 16.1 4.4 190 126 B R H X S+ 0 0 151 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.924 115.2 46.2 -60.1 -46.7 1.6 19.8 4.3 191 127 B M H X S+ 0 0 43 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.867 112.1 52.8 -65.2 -35.6 5.1 19.3 5.6 192 128 B T H >X S+ 0 0 0 -4,-2.6 4,-0.8 -5,-0.2 3,-0.6 0.944 114.1 38.0 -66.6 -49.1 5.7 16.4 3.2 193 129 B F H 3< S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.556 98.4 74.1 -84.0 -5.1 4.7 18.1 -0.0 194 130 B K H 3< S+ 0 0 152 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.834 111.8 34.4 -70.6 -28.0 6.2 21.5 0.7 195 131 B E H << S+ 0 0 52 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.672 94.7 119.7 -96.6 -20.9 9.4 19.6 0.1 196 132 B A < - 0 0 16 -4,-0.8 2,-1.1 1,-0.1 9,-0.1 -0.118 65.2-126.8 -55.4 134.8 8.2 17.2 -2.7 197 133 B P + 0 0 18 0, 0.0 7,-2.7 0, 0.0 2,-0.4 -0.704 47.3 160.5 -83.0 103.9 9.8 17.3 -6.1 198 134 B V E +B 203 0A 63 -2,-1.1 2,-0.3 5,-0.2 5,-0.2 -0.988 9.1 153.0-130.9 135.3 6.7 17.6 -8.3 199 135 B E E > +B 202 0A 144 3,-1.7 3,-1.8 -2,-0.4 -29,-0.1 -0.959 69.0 13.9-158.3 141.8 6.3 18.8 -11.9 200 136 B G T 3 S- 0 0 72 -2,-0.3 3,-0.1 1,-0.3 -30,-0.0 0.774 129.4 -64.6 63.1 24.9 3.8 18.1 -14.6 201 137 B G T 3 S+ 0 0 31 1,-0.2 -31,-2.5 -32,-0.1 2,-0.5 0.682 111.0 124.1 71.7 17.1 1.5 16.6 -11.9 202 138 B K E < -AB 169 199A 89 -3,-1.8 -3,-1.7 -33,-0.2 2,-0.6 -0.944 55.9-145.2-118.2 123.9 4.1 13.9 -11.4 203 139 B F E -AB 168 198A 2 -35,-3.6 -35,-1.8 -2,-0.5 2,-1.4 -0.765 15.8-143.0 -85.9 118.2 5.7 13.2 -8.0 204 140 B D > + 0 0 29 -7,-2.7 4,-2.6 -2,-0.6 -37,-0.2 -0.663 22.6 178.1 -85.3 91.2 9.4 12.1 -8.5 205 141 B Y H > S+ 0 0 0 -2,-1.4 4,-2.5 -39,-0.3 5,-0.2 0.732 76.5 58.5 -67.6 -23.5 9.8 9.5 -5.9 206 142 B V H > S+ 0 0 44 -40,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.910 112.6 40.0 -70.7 -44.9 13.4 8.7 -6.9 207 143 B K H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 10,-0.5 0.914 116.7 52.2 -64.6 -43.5 14.4 12.3 -6.3 208 144 B F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.887 109.6 46.8 -63.0 -41.8 12.2 12.4 -3.2 209 145 B T H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 6,-0.3 0.903 110.9 53.8 -67.3 -40.7 13.8 9.3 -1.7 210 146 B A H <>S+ 0 0 10 -4,-1.8 5,-1.0 -5,-0.2 6,-0.5 0.910 109.8 49.6 -55.8 -44.8 17.2 10.8 -2.5 211 147 B M H ><5S+ 0 0 8 -4,-2.3 3,-1.1 4,-0.2 5,-0.4 0.948 110.9 44.8 -62.0 -54.2 16.2 13.9 -0.6 212 148 B I H 3<5S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.734 112.9 52.3 -65.8 -24.1 14.9 12.3 2.6 213 149 B K T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.515 114.1-119.1 -90.3 -5.9 17.9 10.0 2.8 214 150 B G T < 5S+ 0 0 65 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.328 91.7 102.7 90.8 -8.0 20.3 12.9 2.4 215 151 B S S S+ 0 0 102 2,-0.2 4,-2.8 3,-0.1 -1,-0.1 0.697 88.1 51.9-103.5 -36.3 -7.5 -21.4 12.0 228 7 C E H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -4,-0.1 0.652 107.2 55.9 -72.8 -15.1 -10.1 -20.0 9.6 229 8 C I H > S+ 0 0 34 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.853 110.1 41.6 -82.4 -40.5 -10.6 -17.4 12.3 230 9 C D H > S+ 0 0 64 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.858 113.3 55.8 -73.6 -36.1 -7.0 -16.4 12.4 231 10 C D H X S+ 0 0 82 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.951 109.2 45.7 -57.4 -50.9 -7.1 -16.6 8.6 232 11 C L H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.846 110.1 55.9 -62.0 -33.8 -10.0 -14.1 8.7 233 12 C K H X S+ 0 0 99 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.918 107.7 47.6 -66.1 -40.8 -8.0 -12.1 11.1 234 13 C D H X S+ 0 0 96 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.929 115.0 45.0 -65.7 -44.8 -5.1 -11.8 8.7 235 14 C V H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.930 112.3 52.1 -63.8 -46.0 -7.4 -10.8 5.8 236 15 C F H X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.935 107.8 51.8 -55.4 -49.5 -9.3 -8.4 7.9 237 16 C E H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.865 108.7 51.3 -57.3 -38.3 -6.1 -6.6 9.1 238 17 C L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.957 114.4 41.8 -66.2 -47.8 -4.9 -6.2 5.5 239 18 C F H X S+ 0 0 12 -4,-2.4 4,-1.0 2,-0.2 11,-0.2 0.833 111.3 56.1 -67.3 -32.8 -8.2 -4.6 4.3 240 19 C D H >< S+ 0 0 3 -4,-2.8 3,-0.9 -5,-0.2 -1,-0.2 0.948 108.0 49.7 -62.3 -46.4 -8.4 -2.5 7.5 241 20 C F H >X S+ 0 0 0 -4,-2.3 -60,-2.1 1,-0.2 3,-1.7 0.920 106.5 57.1 -57.8 -46.4 -5.0 -1.2 6.6 242 21 C W H 3< S+ 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30,-0.4 -1,-0.3 1,-0.2 4,-0.3 0.659 99.6 48.6 -72.6 -12.5 -18.3 -2.6 0.7 253 32 C K G <> S+ 0 0 54 -3,-2.4 4,-2.4 1,-0.1 -1,-0.2 0.386 79.7 98.2-108.7 1.6 -15.3 -4.9 1.1 254 33 C L H <> S+ 0 0 1 -3,-0.9 4,-2.1 1,-0.2 5,-0.2 0.897 85.7 49.1 -55.9 -43.5 -16.9 -7.6 3.2 255 34 C G H > S+ 0 0 2 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.922 110.4 49.5 -64.3 -42.3 -17.4 -9.7 0.1 256 35 C D H > S+ 0 0 31 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.862 107.5 55.3 -66.6 -34.5 -13.9 -9.3 -1.1 257 36 C V H >X S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.7 0.979 110.6 44.8 -60.7 -52.4 -12.6 -10.3 2.4 258 37 C C H ><>S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 5,-1.3 0.889 108.1 57.4 -58.7 -39.4 -14.5 -13.5 2.3 259 38 C R H ><5S+ 0 0 14 -4,-2.5 3,-1.4 1,-0.3 -1,-0.3 0.829 100.1 59.1 -60.7 -31.2 -13.4 -14.1 -1.3 260 39 C C H <<5S+ 0 0 23 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.710 98.3 60.4 -70.0 -20.1 -9.8 -14.0 -0.0 261 40 C L T <<5S- 0 0 29 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.284 128.2 -93.3 -88.9 7.2 -10.6 -16.9 2.3 262 41 C G T < 5S+ 0 0 37 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.441 85.5 117.0 100.2 -1.6 -11.5 -19.1 -0.6 263 42 C I < - 0 0 24 -5,-1.3 -1,-0.3 -246,-0.1 -2,-0.1 -0.698 52.2-144.2-106.0 159.2 -15.2 -18.8 -1.1 264 43 C N - 0 0 6 -2,-0.3 38,-0.2 35,-0.1 -250,-0.1 -0.592 24.3-178.9-118.1 71.5 -17.2 -17.4 -4.1 265 44 C P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -249,-0.1 -0.357 25.6-125.0 -72.6 145.5 -20.2 -15.6 -2.8 266 45 C R > - 0 0 19 34,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.484 31.2-106.2 -79.4 159.7 -22.7 -14.1 -5.3 267 46 C N H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 123.6 54.6 -45.9 -45.9 -23.4 -10.4 -4.8 268 47 C E H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 105.4 51.0 -66.2 -38.5 -26.7 -11.4 -3.4 269 48 C D H > S+ 0 0 25 2,-0.2 4,-0.7 -3,-0.2 -1,-0.2 0.923 111.1 49.3 -61.0 -46.2 -25.2 -13.6 -0.8 270 49 C V H ><>S+ 0 0 9 -4,-2.2 5,-2.5 1,-0.2 3,-0.9 0.907 110.4 48.9 -63.7 -43.3 -22.9 -10.8 0.3 271 50 C F H ><5S+ 0 0 73 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.931 104.8 60.1 -63.2 -42.3 -25.7 -8.3 0.6 272 51 C A H 3<5S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.695 107.5 45.6 -59.3 -19.3 -27.7 -10.7 2.6 273 52 C V T <<5S- 0 0 48 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.331 134.6 -78.9-106.5 8.1 -25.0 -10.9 5.3 274 53 C G T < 5S+ 0 0 23 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.287 78.3 144.5 119.5 -12.7 -24.4 -7.1 5.5 275 54 C G < - 0 0 7 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.2 -0.326 40.2-138.9 -60.5 140.6 -22.2 -6.2 2.6 276 55 C T - 0 0 15 -25,-1.1 -21,-0.1 6,-0.1 -1,-0.1 -0.455 12.5-118.0 -98.0 175.7 -23.0 -2.8 1.2 277 56 C H S S+ 0 0 128 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.534 87.1 9.6 -91.4 -10.7 -23.4 -1.4 -2.3 278 57 C K S S- 0 0 114 0, 0.0 3,-0.4 0, 0.0 -26,-0.1 -0.986 83.7 -84.8-161.5 162.9 -20.7 1.2 -2.3 279 58 C M S S+ 0 0 90 -2,-0.3 4,-0.1 1,-0.2 -2,-0.0 -0.322 101.4 36.9 -67.9 154.0 -17.7 2.5 -0.3 280 59 C G S S+ 0 0 68 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.793 87.4 93.0 77.4 32.1 -18.4 5.0 2.4 281 60 C E S S+ 0 0 104 1,-0.5 2,-0.3 -3,-0.4 -2,-0.1 0.698 91.8 1.3-117.9 -47.5 -21.6 3.8 3.9 282 61 C K - 0 0 92 2,-0.0 -31,-2.7 0, 0.0 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4,-2.6 1,-0.2 5,-0.2 0.899 119.7 56.3 -59.9 -41.0 -18.6 -28.0 -13.2 305 84 C A H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 107.5 46.9 -56.7 -48.2 -21.8 -29.8 -14.3 306 85 C D H > S+ 0 0 22 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.925 112.4 50.7 -60.8 -45.8 -24.0 -26.7 -13.8 307 86 C Y H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.916 112.8 44.9 -61.1 -45.3 -21.4 -24.5 -15.7 308 87 C M H X S+ 0 0 40 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.907 113.7 50.3 -65.3 -38.2 -21.2 -26.9 -18.6 309 88 C E H X S+ 0 0 93 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.908 111.6 50.6 -66.2 -38.8 -25.0 -27.1 -18.6 310 89 C A H >< S+ 0 0 2 -4,-3.2 3,-1.0 1,-0.2 4,-0.3 0.985 115.8 38.4 -60.5 -60.2 -25.2 -23.3 -18.5 311 90 C F H >< S+ 0 0 10 -4,-2.7 3,-2.1 1,-0.2 4,-0.3 0.793 103.2 71.0 -62.4 -31.8 -22.9 -22.8 -21.5 312 91 C K H >< S+ 0 0 135 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.855 89.3 63.7 -53.9 -34.1 -24.2 -25.7 -23.4 313 92 C T T << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.720 102.6 48.8 -65.7 -19.2 -27.4 -23.7 -23.9 314 93 C F T < S+ 0 0 36 -3,-2.1 2,-1.0 -4,-0.3 -1,-0.3 0.402 89.6 93.5 -99.4 2.7 -25.4 -21.2 -25.9 315 94 C D < + 0 0 16 -3,-1.8 -1,-0.1 -4,-0.3 7,-0.1 -0.744 44.1 170.6 -98.6 86.8 -23.7 -23.9 -28.1 316 95 C R S S+ 0 0 214 -2,-1.0 -1,-0.2 1,-0.2 6,-0.1 0.919 78.6 46.2 -61.5 -44.6 -25.8 -24.2 -31.2 317 96 C E S S- 0 0 145 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.751 98.0-134.3 -71.6 -29.1 -23.3 -26.4 -33.0 318 97 C G S S+ 0 0 47 3,-0.2 -2,-0.1 -6,-0.1 -1,-0.0 0.819 71.5 114.7 78.2 31.8 -22.6 -28.8 -30.1 319 98 C Q S S- 0 0 130 2,-0.2 3,-0.1 0, 0.0 -3,-0.0 0.233 92.7 -98.9-116.4 11.8 -18.8 -28.8 -30.6 320 99 C G S S+ 0 0 20 1,-0.3 42,-1.1 -8,-0.1 43,-0.5 0.597 83.1 125.7 84.9 9.9 -17.9 -27.2 -27.3 321 100 C F E +D 361 0C 61 40,-0.2 2,-0.3 41,-0.1 -1,-0.3 -0.771 32.8 176.3-107.4 151.0 -17.4 -23.7 -28.8 322 101 C I E -D 360 0C 2 38,-2.0 38,-3.1 -2,-0.3 2,-0.1 -0.967 39.6-107.4-142.2 139.7 -18.9 -20.3 -27.9 323 102 C S E > -D 359 0C 38 -2,-0.3 4,-2.9 36,-0.3 36,-0.3 -0.458 25.0-119.9 -71.2 145.8 -17.8 -17.2 -29.8 324 103 C G H > S+ 0 0 9 34,-2.8 4,-2.5 1,-0.2 5,-0.2 0.873 117.6 51.9 -51.3 -35.0 -15.6 -14.8 -27.8 325 104 C A H > S+ 0 0 75 33,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.919 107.7 49.0 -69.7 -43.3 -18.3 -12.2 -28.3 326 105 C E H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 111.5 51.2 -63.2 -42.3 -21.1 -14.5 -27.0 327 106 C L H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.957 110.0 47.6 -60.0 -48.7 -19.0 -15.3 -24.0 328 107 C R H X S+ 0 0 69 -4,-2.5 4,-1.8 -5,-0.2 5,-0.3 0.886 110.5 55.7 -59.1 -36.4 -18.4 -11.6 -23.2 329 108 C H H X>S+ 0 0 102 -4,-2.4 4,-2.4 2,-0.2 5,-0.5 0.948 107.9 44.8 -62.3 -49.9 -22.2 -11.1 -23.7 330 109 C V H X5S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.894 115.3 49.2 -61.3 -38.9 -23.2 -13.7 -21.1 331 110 C L H <5S+ 0 0 1 -4,-2.1 7,-2.8 -5,-0.2 -1,-0.2 0.794 122.0 30.2 -71.4 -30.8 -20.7 -12.4 -18.6 332 111 C T H <5S+ 0 0 29 -4,-1.8 -2,-0.2 5,-0.2 -1,-0.2 0.652 128.9 34.3-104.7 -18.8 -21.6 -8.7 -18.9 333 112 C A H <5S+ 0 0 41 -4,-2.4 -3,-0.2 -5,-0.3 2,-0.2 0.627 108.7 59.8-110.8 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