==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUN-11 3S9O . COMPND 2 MOLECULE: FOCAL ADHESION KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.AROLD . 423 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 85.8 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 . 0 0.0 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 . 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 3 0 0 0 1 0 0 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 909 A I 0 0 95 0, 0.0 120,-0.0 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 122.8 28.8 24.1 22.3 2 910 A S - 0 0 72 1,-0.1 23,-0.0 0, 0.0 22,-0.0 -0.605 360.0 -86.8 -85.5 161.5 29.8 27.4 20.6 3 911 A P S S- 0 0 52 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 -0.493 77.0 -71.8 -51.1 152.2 30.3 30.6 22.5 4 912 A P - 0 0 13 0, 0.0 17,-0.0 0, 0.0 16,-0.0 -0.124 45.1-113.9 -64.2 143.0 26.7 32.0 22.7 5 913 A P - 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.086 21.9-130.8 -53.8 174.3 24.7 33.6 19.7 6 914 A T - 0 0 75 1,-0.1 3,-0.2 2,-0.0 11,-0.0 0.347 29.6-172.8-116.2 1.3 23.9 37.3 20.0 7 915 A A - 0 0 73 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.097 58.8 -46.3 34.9-140.7 20.1 37.4 19.2 8 916 A N S S+ 0 0 124 275,-0.1 -1,-0.2 2,-0.1 2,-0.0 0.685 106.4 102.3 -97.5 -16.7 18.7 41.0 18.8 9 917 A L S S- 0 0 12 -3,-0.2 2,-0.4 274,-0.1 273,-0.2 -0.323 75.1-118.3 -69.1 145.2 20.1 42.7 21.9 10 918 A D - 0 0 49 271,-1.2 3,-0.2 1,-0.1 -1,-0.1 -0.721 25.3-169.6 -79.0 130.8 23.1 45.0 21.7 11 919 A R > + 0 0 23 -2,-0.4 3,-1.8 1,-0.1 7,-0.1 0.249 49.0 114.2-109.2 12.8 25.9 43.4 23.8 12 920 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.1 6,-0.0 -2,-0.0 0.829 97.7 15.9 -60.2 -39.9 28.4 46.3 23.9 13 921 A N T 3 S+ 0 0 114 -3,-0.2 2,-0.8 5,-0.0 -1,-0.3 -0.245 91.8 133.3-125.6 40.3 28.1 46.8 27.6 14 922 A D <> + 0 0 10 -3,-1.8 4,-1.8 1,-0.2 -3,-0.1 -0.859 27.2 177.5 -95.1 111.3 26.4 43.5 28.4 15 923 A K H > S+ 0 0 97 -2,-0.8 4,-2.1 2,-0.2 5,-0.2 0.827 77.3 54.7 -83.5 -37.4 28.3 42.1 31.3 16 924 A V H >> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.995 112.8 44.5 -62.0 -61.2 26.3 39.0 31.8 17 925 A Y H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.857 111.7 52.4 -43.6 -51.6 26.9 38.1 28.2 18 926 A E H 3X S+ 0 0 87 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.861 113.3 45.3 -57.3 -35.9 30.7 39.0 28.5 19 927 A N H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 3,-0.7 0.951 110.5 53.9 -60.8 -52.2 40.3 23.1 29.6 31 939 A S H >< S+ 0 0 32 -4,-2.8 3,-0.8 1,-0.3 4,-0.4 0.946 106.7 48.0 -51.8 -57.3 38.6 20.4 27.5 32 940 A S H 3< S+ 0 0 82 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.827 117.6 46.3 -53.3 -26.1 40.9 20.6 24.5 33 941 A K H << S+ 0 0 106 -4,-1.3 4,-0.5 -3,-0.7 -1,-0.2 0.738 92.0 82.0 -88.0 -23.5 43.9 20.5 26.9 34 942 A I S X< S+ 0 0 0 -4,-1.5 3,-2.1 -3,-0.8 -1,-0.1 0.841 75.2 58.1 -57.1 -62.2 43.1 17.6 29.4 35 943 A Q T 3 S+ 0 0 92 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.838 113.6 39.7 -51.8 -48.0 43.9 14.1 28.0 36 944 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.636 101.2 104.0 -71.1 -12.3 47.7 14.8 27.5 37 945 A A < - 0 0 9 -3,-2.1 -3,-0.0 -4,-0.5 -4,-0.0 -0.522 59.1-144.2 -92.9 132.7 48.1 16.9 30.7 38 946 A P >> - 0 0 46 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.295 39.8 -99.0 -68.5 166.9 49.6 16.1 34.1 39 947 A P H 3> S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 58,-0.1 0.806 120.4 68.4 -57.6 -35.3 48.0 17.5 37.4 40 948 A E H 34 S+ 0 0 145 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.849 112.8 34.4 -52.6 -35.9 50.6 20.4 37.5 41 949 A E H <> S+ 0 0 117 -3,-0.9 4,-1.2 2,-0.1 -1,-0.2 0.870 116.3 50.0 -87.0 -43.1 48.7 21.6 34.4 42 950 A Y H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.729 98.2 63.5 -80.1 -13.7 45.1 20.7 35.0 43 951 A V H X S+ 0 0 30 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.949 105.1 46.5 -69.5 -45.3 44.5 22.0 38.5 44 952 A P H > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.934 107.7 57.1 -60.7 -44.2 45.1 25.7 37.4 45 953 A M H X S+ 0 0 17 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.921 110.0 45.7 -48.8 -46.1 42.9 25.2 34.4 46 954 A V H X S+ 0 0 7 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.892 107.5 56.6 -73.4 -31.9 40.2 24.2 36.8 47 955 A K H X S+ 0 0 144 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.897 104.8 55.0 -54.1 -41.6 41.0 27.1 39.1 48 956 A E H X S+ 0 0 110 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.888 103.7 52.8 -63.1 -36.9 40.4 29.4 36.1 49 957 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.928 109.0 49.9 -65.8 -42.6 37.0 28.0 35.5 50 958 A G H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.928 110.6 49.7 -64.0 -44.2 36.0 28.7 39.2 51 959 A L H X S+ 0 0 88 -4,-2.7 4,-2.9 2,-0.2 3,-0.3 0.978 111.1 48.0 -54.7 -56.7 37.3 32.3 39.0 52 960 A A H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.3 -29,-0.2 0.870 113.3 51.3 -53.2 -36.5 35.3 33.0 35.7 53 961 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.3 0.870 108.5 48.0 -69.3 -38.9 32.3 31.4 37.4 54 962 A R H X S+ 0 0 161 -4,-2.7 4,-2.4 -3,-0.3 5,-0.2 0.952 110.6 53.3 -66.4 -43.7 32.6 33.5 40.6 55 963 A T H X S+ 0 0 63 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.939 110.7 47.2 -56.2 -49.2 32.9 36.7 38.4 56 964 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.3 0.872 109.0 53.6 -56.5 -40.6 29.8 35.7 36.5 57 965 A L H X S+ 0 0 21 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.934 109.0 47.1 -72.6 -38.0 27.8 35.0 39.6 58 966 A A H X S+ 0 0 52 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.949 109.7 55.0 -63.7 -46.2 28.6 38.4 41.2 59 967 A T H < S+ 0 0 19 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.932 111.4 45.5 -49.5 -45.3 27.7 40.2 37.9 60 968 A V H >X S+ 0 0 1 -4,-2.1 3,-2.6 1,-0.2 4,-1.6 0.923 102.8 61.6 -69.5 -43.3 24.4 38.4 38.1 61 969 A D H 3< S+ 0 0 100 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.924 105.7 51.4 -46.9 -45.2 23.7 39.2 41.7 62 970 A E T 3< S+ 0 0 143 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.598 106.9 52.3 -67.0 -14.6 23.8 42.9 40.7 63 971 A T T X4 S+ 0 0 18 -3,-2.6 3,-1.8 -4,-0.4 -1,-0.2 0.793 86.7 78.1 -99.7 -28.3 21.3 42.5 37.8 64 972 A I G >< S+ 0 0 19 -4,-1.6 3,-2.8 -3,-0.4 -2,-0.1 0.887 85.7 60.9 -42.6 -56.7 18.4 40.8 39.6 65 973 A P G 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.693 103.0 54.8 -46.4 -26.0 17.1 44.0 41.3 66 974 A L G < S+ 0 0 37 -3,-1.8 -2,-0.2 -4,-0.1 -3,-0.1 0.373 99.5 72.5 -91.4 -1.0 16.6 45.6 37.8 67 975 A L S < S- 0 0 8 -3,-2.8 5,-0.1 -4,-0.2 67,-0.1 -0.820 94.9 -76.9-121.6 157.0 14.4 42.8 36.4 68 976 A P >> - 0 0 17 0, 0.0 3,-0.7 0, 0.0 4,-0.6 -0.011 32.8-123.1 -60.6 155.0 10.7 41.8 37.2 69 977 A A H >> S+ 0 0 82 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.903 108.2 64.5 -59.0 -46.0 9.7 40.0 40.4 70 978 A S H 34 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.801 103.7 47.4 -47.9 -33.5 8.1 37.1 38.4 71 979 A T H <> S+ 0 0 13 -3,-0.7 4,-1.4 1,-0.2 -1,-0.3 0.673 86.8 84.9 -88.1 -18.6 11.5 36.2 37.0 72 980 A H H X S+ 0 0 195 -4,-0.5 4,-2.2 -3,-0.3 3,-0.6 0.935 106.1 39.5 -48.8 -62.9 12.8 32.5 41.1 74 982 A E H 3> S+ 0 0 114 -4,-0.3 4,-3.7 1,-0.3 5,-0.3 0.860 110.4 58.4 -57.4 -46.3 14.4 30.8 38.0 75 983 A I H 3X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.841 110.0 45.2 -57.2 -33.2 17.4 33.0 37.9 76 984 A E H X S+ 0 0 35 -4,-2.7 4,-2.1 1,-0.2 3,-0.6 0.973 108.2 46.8 -44.5 -61.3 31.0 21.0 42.9 88 996 A E H 3X S+ 0 0 92 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.845 109.5 54.3 -48.4 -40.9 30.7 18.0 40.6 89 997 A L H 3X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.892 106.3 49.5 -69.9 -35.4 33.7 19.1 38.5 90 998 A I H X S+ 0 0 88 -4,-2.1 4,-2.3 1,-0.2 3,-0.8 0.914 108.5 44.8 -39.5 -56.7 35.1 16.0 42.7 92 1000 A K H 3X S+ 0 0 53 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.856 109.9 55.8 -69.4 -29.8 36.1 14.4 39.5 93 1001 A M H 3X S+ 0 0 16 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.775 107.3 48.2 -68.2 -30.7 39.3 16.4 39.4 94 1002 A K H < S+ 0 0 75 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.815 110.2 55.6 -77.8 -24.9 44.8 13.2 40.7 98 1006 A Q H 3< S+ 0 0 132 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.865 114.1 43.0 -63.3 -36.7 44.2 10.5 43.2 99 1007 A Y T >< S+ 0 0 77 -4,-1.8 3,-1.2 -5,-0.2 6,-0.3 0.002 79.5 150.9-105.7 31.5 44.5 8.0 40.4 100 1008 A V T < S+ 0 0 57 -3,-0.8 3,-0.1 1,-0.2 -3,-0.1 -0.374 70.4 7.3 -71.9 142.2 47.5 9.2 38.3 101 1009 A M T 3 S+ 0 0 190 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.648 107.3 107.7 58.1 23.0 49.6 6.7 36.2 102 1010 A T S < S- 0 0 61 -3,-1.2 3,-0.3 1,-0.0 -1,-0.3 -0.382 85.8-105.3-107.0-168.2 47.0 4.0 37.1 103 1011 A S S > S+ 0 0 110 1,-0.2 3,-0.5 -2,-0.2 4,-0.2 0.750 112.4 59.7 -98.5 -21.7 44.6 2.5 34.7 104 1012 A L T 3> S+ 0 0 98 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.325 77.2 97.5 -92.2 3.4 41.5 4.3 35.9 105 1013 A Q H 3> S+ 0 0 28 -6,-0.3 4,-2.0 -3,-0.3 3,-0.2 0.904 80.9 50.0 -54.5 -48.8 42.9 7.7 35.3 106 1014 A Q H <> S+ 0 0 95 -3,-0.5 4,-1.7 1,-0.3 -1,-0.2 0.766 103.8 53.1 -83.4 -23.0 41.3 8.2 32.0 107 1015 A E H > S+ 0 0 96 -4,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.759 106.7 59.8 -72.9 -18.7 37.8 7.3 32.9 108 1016 A Y H >X S+ 0 0 56 -4,-0.9 4,-1.8 -3,-0.2 3,-0.9 0.984 105.3 45.9 -73.1 -44.5 38.4 9.9 35.6 109 1017 A K H 3X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.880 104.4 61.9 -54.0 -37.1 39.0 12.5 32.8 110 1018 A K H 3X S+ 0 0 131 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.844 106.4 48.5 -65.6 -19.6 36.0 11.3 30.9 111 1019 A Q H X S+ 0 0 0 -4,-1.8 4,-2.8 -20,-0.2 3,-0.5 0.994 110.3 48.3 -53.4 -63.2 35.7 15.7 34.2 113 1021 A L H 3X S+ 0 0 48 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.924 108.8 55.2 -45.5 -49.3 34.8 16.5 30.6 114 1022 A T H 3X S+ 0 0 101 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.906 112.9 40.3 -53.6 -42.5 31.2 15.3 31.3 115 1023 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 3,-0.7 0.975 109.0 49.1 -51.8 -62.4 25.7 28.9 31.8 124 1032 A K H 3X S+ 0 0 47 -4,-1.9 4,-1.5 1,-0.3 -2,-0.2 0.889 109.5 54.5 -46.7 -41.8 24.1 29.2 28.3 125 1033 A N H 3X S+ 0 0 80 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.893 103.4 52.6 -65.5 -34.2 20.9 28.4 29.9 126 1034 A L H S+ 0 0 26 -4,-3.4 5,-2.3 1,-0.3 4,-1.1 0.875 107.5 51.5 -53.1 -40.8 13.1 41.6 27.0 136 1044 A K H ><5S+ 0 0 81 -4,-1.8 3,-0.7 -5,-0.3 -1,-0.3 0.961 113.9 43.1 -53.6 -55.9 10.1 41.6 29.3 137 1045 A M H 3<5S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.822 110.3 53.7 -62.4 -41.9 11.4 44.7 31.1 138 1046 A L H 3<5S- 0 0 5 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.660 121.5-110.8 -70.6 -18.5 12.4 46.6 27.9 139 1047 A G T <<5 - 0 0 5 -4,-1.1 15,-3.2 -3,-0.7 -3,-0.2 0.792 43.2-172.4 98.4 34.8 8.9 45.9 26.7 140 1048 A Q < 0 0 94 -5,-2.3 -1,-0.2 13,-0.2 13,-0.1 -0.342 360.0 360.0 -55.2 127.3 9.0 43.3 23.9 141 1049 A T 0 0 125 11,-0.3 -1,-0.1 -2,-0.1 11,-0.1 -0.024 360.0 360.0 -76.2 360.0 5.7 42.6 21.9 142 !* 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 0.0 143 907 B Q 0 0 249 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.3 3.7 75.1 20.7 144 908 B E - 0 0 171 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.913 360.0-148.8-170.1 155.2 5.2 71.8 19.5 145 909 B I - 0 0 151 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.952 12.5-151.0-146.5 152.7 3.8 68.2 19.6 146 910 B S - 0 0 46 -2,-0.3 -2,-0.0 1,-0.0 123,-0.0 -0.938 29.9-113.1-120.5 144.0 4.5 64.5 19.9 147 911 B P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.178 55.7 -74.4 -64.1 161.5 2.5 61.5 18.4 148 912 B P S S- 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.343 74.3 -79.4 -60.9 149.8 0.8 59.2 20.9 149 913 B P - 0 0 49 0, 0.0 123,-0.0 0, 0.0 119,-0.0 -0.113 67.2 -73.7 -61.9 152.8 3.5 57.1 22.5 150 914 B T - 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0 0 6 0, 0.0 3,-2.7 0, 0.0 4,-0.6 -0.372 37.3-122.7 -70.1 136.2 22.5 51.7 25.7 213 977 B A H >> S+ 0 0 52 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.759 106.8 65.0 -36.5 -46.1 25.4 53.8 27.1 214 978 B S H 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.663 101.8 46.8 -61.0 -20.6 25.0 56.4 24.3 215 979 B T H <> S+ 0 0 22 -3,-2.7 4,-1.5 1,-0.1 -1,-0.3 0.558 88.8 85.7 -99.0 -11.6 21.5 57.5 25.5 216 980 B H H S+ 0 0 117 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.846 110.5 50.7 -67.1 -38.9 20.2 62.6 27.5 219 983 B I H X S+ 0 0 0 -4,-1.5 4,-1.0 -3,-0.4 -1,-0.2 0.813 106.2 57.7 -69.4 -31.5 18.1 60.9 30.2 220 984 B E H X S+ 0 0 72 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.899 111.2 41.7 -64.8 -41.8 20.3 62.4 32.8 221 985 B M H X S+ 0 0 8 -4,-1.4 4,-2.4 1,-0.2 3,-0.4 0.902 109.7 55.8 -73.9 -41.9 19.6 65.9 31.5 222 986 B A H X S+ 0 0 23 -4,-2.7 4,-1.1 1,-0.3 -1,-0.2 0.782 107.6 54.7 -59.3 -24.4 15.9 65.3 31.0 223 987 B Q H X S+ 0 0 19 -4,-1.0 4,-1.4 2,-0.2 -1,-0.3 0.847 106.0 47.2 -80.0 -36.0 16.0 64.3 34.6 224 988 B K H >X S+ 0 0 85 -4,-1.1 4,-2.1 -3,-0.4 3,-0.5 0.956 107.5 57.2 -73.5 -47.9 17.5 67.5 35.9 225 989 B L H 3X S+ 0 0 23 -4,-2.4 4,-1.7 1,-0.3 -1,-0.2 0.891 103.9 54.3 -42.9 -44.6 15.1 69.6 33.9 226 990 B L H 3X S+ 0 0 0 -4,-1.1 4,-1.7 -5,-0.2 -1,-0.3 0.926 105.1 53.0 -62.9 -37.9 12.3 67.8 35.7 227 991 B N H < S+ 0 0 72 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.946 107.7 43.4 -68.8 -51.2 1.0 81.4 50.5 242 1006 B Q H 3< S+ 0 0 120 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.841 112.6 55.6 -58.9 -36.2 2.2 84.9 51.5 243 1007 B Y T >< S+ 0 0 31 -4,-2.5 3,-1.1 5,-0.1 6,-0.7 0.257 72.2 123.4 -96.1 21.2 -0.5 86.5 49.4 244 1008 B V T < S+ 0 0 47 -3,-1.1 2,-0.1 1,-0.2 3,-0.1 -0.351 74.2 35.9 -63.1 159.4 -3.5 84.8 50.9 245 1009 B M T 3 S+ 0 0 185 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.063 111.3 87.6 81.3 -33.8 -5.9 87.5 52.1 246 1010 B T S X S- 0 0 34 -3,-1.1 3,-1.0 -2,-0.1 4,-0.3 -0.397 91.3-109.9 -96.8 170.4 -4.8 89.6 49.1 247 1011 B S T >> S+ 0 0 83 1,-0.2 3,-0.9 2,-0.1 4,-0.5 0.772 109.4 70.7 -64.4 -28.4 -5.9 90.0 45.4 248 1012 B L H 3> S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.558 72.3 84.3 -73.5 -13.9 -2.6 88.3 44.3 249 1013 B Q H <> S+ 0 0 20 -3,-1.0 4,-2.0 -6,-0.7 -1,-0.2 0.962 92.3 48.4 -53.2 -45.7 -3.6 84.9 45.5 250 1014 B Q H <> S+ 0 0 97 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.2 0.874 110.7 51.1 -68.3 -33.9 -5.5 84.3 42.2 251 1015 B E H X S+ 0 0 59 -4,-0.5 4,-1.6 2,-0.2 5,-0.2 0.972 110.2 47.0 -61.1 -57.1 -2.5 85.5 40.2 252 1016 B Y H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -12,-0.2 0.817 106.0 61.1 -62.4 -26.8 0.1 83.2 41.9 253 1017 B K H >X S+ 0 0 10 -4,-2.0 4,-2.4 -5,-0.3 3,-0.7 0.975 102.4 52.1 -60.3 -53.3 -2.4 80.2 41.5 254 1018 B K H 3X S+ 0 0 121 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.927 107.2 50.2 -45.9 -50.8 -2.2 80.7 37.7 255 1019 B Q H 3X S+ 0 0 21 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.811 107.9 56.4 -66.0 -21.4 1.6 80.6 37.7 256 1020 B M H X S+ 0 0 126 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.956 108.3 51.2 -53.7 -52.1 1.6 72.1 33.2 262 1026 B A H 3X S+ 0 0 37 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.851 107.6 52.5 -52.5 -39.4 5.2 72.4 32.1 263 1027 B L H 3X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.3 0.842 109.5 49.5 -71.8 -31.6 6.3 69.6 34.4 264 1028 B A H < S+ 0 0 106 -4,-1.4 3,-1.1 -5,-0.2 -1,-0.2 0.913 110.8 49.4 -61.4 -48.5 17.5 50.8 20.1 281 1045 B M H 3< S+ 0 0 18 -4,-2.4 -271,-1.2 1,-0.2 -2,-0.2 0.929 110.0 53.3 -58.7 -43.1 18.5 48.2 22.8 282 1046 B L H 3< 0 0 17 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.620 360.0 360.0 -65.5 -17.5 16.0 45.8 21.3 283 1047 B G << 0 0 81 -3,-1.1 -1,-0.2 -4,-0.5 -274,-0.1 -0.522 360.0 360.0 67.0 360.0 17.5 46.0 17.7 284 !* 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 0.0 285 908 C E 0 0 217 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.4 -6.6 89.4 27.7 286 909 C I - 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.968 360.0-152.9-135.7 147.6 -6.1 93.1 26.4 287 910 C S - 0 0 50 -2,-0.3 123,-0.0 1,-0.0 126,-0.0 -0.810 31.9-118.1-101.2 149.8 -6.1 96.7 27.3 288 911 C P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.339 56.5 -69.9 -68.4 171.7 -6.9 99.4 24.7 289 912 C P S S- 0 0 109 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.289 71.2 -70.8 -66.5 149.8 -3.9 101.8 24.2 290 913 C P - 0 0 64 0, 0.0 4,-0.1 0, 0.0 123,-0.1 -0.085 68.5 -89.5 -37.1 130.1 -3.0 104.3 27.0 291 914 C T > - 0 0 36 -3,-0.1 3,-0.5 1,-0.1 125,-0.0 -0.110 25.6-146.8 -47.7 141.7 -5.7 106.9 27.3 292 915 C A T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -3,-0.1 4,-0.1 0.751 87.5 78.5 -85.9 -28.9 -5.2 110.0 25.1 293 916 C N T 3 S+ 0 0 126 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.246 81.3 79.8 -69.2 8.8 -6.8 112.3 27.7 294 917 C L S < S- 0 0 30 -3,-0.5 2,-0.8 -4,-0.1 122,-0.0 -0.973 81.8-122.4-121.2 144.3 -3.7 112.4 29.9 295 918 C D > - 0 0 120 -2,-0.4 3,-0.7 1,-0.1 -2,-0.1 -0.654 22.7-174.9 -92.9 112.8 -0.6 114.5 29.2 296 919 C R T 3 + 0 0 55 -2,-0.8 3,-0.5 1,-0.2 -1,-0.1 0.248 59.7 93.7 -87.0 4.9 2.6 112.5 28.9 297 920 C S T 3 S+ 0 0 90 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.777 102.4 26.2 -70.2 -28.7 5.2 115.3 28.6 298 921 C N S < S+ 0 0 147 -3,-0.7 2,-1.4 1,-0.0 -1,-0.2 0.207 91.8 119.3-113.2 13.8 6.0 115.2 32.4 299 922 C D > + 0 0 12 -3,-0.5 4,-2.1 1,-0.2 5,-0.1 -0.642 31.8 174.9 -97.9 79.1 4.9 111.6 33.0 300 923 C K H > S+ 0 0 109 -2,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.577 78.1 64.9 -58.5 -15.7 8.0 109.7 34.4 301 924 C V H >> S+ 0 0 2 2,-0.2 4,-2.5 3,-0.1 3,-0.9 0.989 107.1 39.9 -66.1 -66.2 5.8 106.6 34.9 302 925 C Y H 3> S+ 0 0 83 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.893 116.8 53.1 -41.9 -48.9 5.2 106.2 31.2 303 926 C E H 3X S+ 0 0 116 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.855 112.2 42.4 -59.4 -35.7 8.9 107.2 30.6 304 927 C N H < + 0 0 2 -4,-2.4 3,-1.6 1,-0.2 -1,-0.1 0.388 56.0 93.7 -48.6 -29.9 20.9 86.8 24.0 320 943 C Q T 3 S+ 0 0 145 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.803 103.1 18.9 -32.1 -72.3 20.9 83.9 21.5 321 944 C P T 3 S+ 0 0 123 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.451 98.2 117.5 -88.3 6.7 24.7 83.4 21.0 322 945 C A < - 0 0 4 -3,-1.6 5,-0.0 -4,-0.2 -3,-0.0 -0.560 50.4-145.9 -86.3 132.2 25.9 85.2 24.1 323 946 C P >> - 0 0 50 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.028 41.9 -81.1 -78.8-177.8 28.0 83.4 27.0 324 947 C P H 3> S+ 0 0 35 0, 0.0 4,-1.2 0, 0.0 58,-0.1 0.767 125.2 69.5 -59.6 -29.9 27.9 84.0 30.9 325 948 C E H 34 S+ 0 0 155 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.838 108.6 35.1 -45.1 -39.4 30.4 86.9 30.2 326 949 C E H <> S+ 0 0 89 -3,-1.7 4,-1.1 2,-0.1 -1,-0.2 0.772 111.1 50.9-104.7 -27.2 27.5 88.8 28.6 327 950 C Y H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 5,-0.2 0.790 95.2 69.1 -87.8 -24.2 24.2 88.1 30.2 328 951 C V H >X S+ 0 0 44 -4,-1.2 4,-2.0 1,-0.2 3,-1.0 0.985 111.0 34.3 -52.1 -64.8 25.1 88.8 33.8 329 952 C P H 3> S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.881 113.0 62.4 -53.4 -39.2 25.5 92.6 33.1 330 953 C M H 3X S+ 0 0 24 -4,-1.1 4,-0.6 1,-0.2 -2,-0.2 0.779 109.7 41.5 -54.4 -30.4 22.6 92.4 30.5 331 954 C V H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 3,-0.9 0.943 108.3 56.6 -68.0 -48.8 17.2 95.3 37.4 336 959 C L H 3X S+ 0 0 92 -4,-3.1 4,-1.9 1,-0.3 -2,-0.2 0.827 109.3 46.3 -43.7 -41.9 18.7 98.8 37.2 337 960 C A H 3X S+ 0 0 24 -4,-1.3 4,-1.1 1,-0.2 -1,-0.3 0.684 110.8 51.1 -87.0 -21.2 15.7 100.0 35.2 338 961 C L H X S+ 0 0 44 -4,-2.4 4,-1.2 1,-0.2 3,-0.9 0.992 108.3 51.9 -54.9 -65.8 11.2 104.5 43.0 344 967 C T H 3< S+ 0 0 14 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 110.3 47.7 -38.3 -41.2 9.1 106.7 40.6 345 968 C V H >X S+ 0 0 0 -4,-1.5 3,-2.0 2,-0.2 4,-1.7 0.889 104.0 61.8 -76.1 -35.7 5.9 104.8 41.5 346 969 C D H X< S+ 0 0 96 -4,-2.4 3,-1.9 -3,-0.9 2,-0.5 0.969 108.1 41.3 -46.4 -74.2 6.6 105.1 45.2 347 970 C E T 3< S+ 0 0 133 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.175 110.6 60.8 -61.2 16.8 6.5 108.9 45.1 348 971 C T T X> S+ 0 0 22 -3,-2.0 3,-0.7 -2,-0.5 4,-0.6 0.620 91.1 67.1-109.6 -27.6 3.5 108.9 42.8 349 972 C I G X< S+ 0 0 19 -3,-1.9 3,-1.5 -4,-1.7 -2,-0.2 0.890 84.4 69.1 -57.2 -45.8 1.2 107.0 45.1 350 973 C P G 34 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.787 103.4 43.4 -53.8 -31.6 0.8 109.8 47.8 351 974 C L G <4 S+ 0 0 110 -3,-0.7 -2,-0.2 -4,-0.1 3,-0.1 0.656 95.9 87.5 -85.0 -18.0 -1.2 112.1 45.5 352 975 C L S << S- 0 0 9 -3,-1.5 5,-0.1 -4,-0.6 67,-0.1 -0.460 99.6 -69.9 -81.7 159.3 -3.5 109.6 44.0 353 976 C P - 0 0 38 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.010 40.1-123.0 -46.4 151.3 -6.8 108.8 45.8 354 977 C A S > S+ 0 0 84 1,-0.2 3,-1.5 2,-0.1 4,-0.2 0.956 106.0 53.3 -55.9 -53.6 -6.5 106.9 49.1 355 978 C S T > S+ 0 0 97 1,-0.3 3,-1.1 2,-0.1 4,-0.3 0.870 104.1 53.3 -54.2 -50.2 -8.8 104.0 48.0 356 979 C T T 3> S+ 0 0 31 1,-0.2 4,-1.1 2,-0.1 -1,-0.3 0.525 81.3 91.4 -69.2 -11.2 -7.0 103.0 44.8 357 980 C H H <> S+ 0 0 37 -3,-1.5 4,-1.6 -4,-0.4 -1,-0.2 0.701 78.5 62.8 -57.2 -24.8 -3.5 102.7 46.5 358 981 C R H <> S+ 0 0 147 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.958 100.6 49.0 -65.7 -55.5 -4.1 98.9 47.1 359 982 C E H > S+ 0 0 132 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.835 115.8 46.0 -54.6 -32.3 -4.4 97.9 43.5 360 983 C I H X S+ 0 0 2 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.864 107.5 55.2 -78.5 -35.1 -1.2 99.8 42.8 361 984 C E H >X S+ 0 0 80 -4,-1.6 4,-1.4 1,-0.2 3,-0.5 0.948 111.9 44.7 -66.6 -43.8 0.7 98.5 45.7 362 985 C M H 3X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.920 104.2 62.1 -65.0 -48.4 0.1 94.9 44.6 363 986 C A H 3X S+ 0 0 25 -4,-1.7 4,-1.1 1,-0.3 -1,-0.2 0.793 106.7 47.2 -49.8 -32.0 0.9 95.6 40.9 364 987 C Q H X S+ 0 0 61 -4,-1.4 4,-1.3 -3,-0.4 3,-0.9 0.937 102.8 58.2 -55.9 -36.4 5.0 93.5 44.1 366 989 C L H 3X S+ 0 0 15 -4,-1.9 4,-2.4 1,-0.3 3,-0.4 0.916 98.3 55.6 -66.6 -45.1 4.3 91.4 41.0 367 990 C L H 3X S+ 0 0 1 -4,-1.1 4,-2.4 1,-0.2 -1,-0.3 0.835 103.4 58.3 -50.5 -34.4 7.0 92.9 39.1 368 991 C N H < S+ 0 0 72 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.904 105.9 54.6 -63.0 -51.5 25.1 79.7 34.3 383 1006 C Q H 3< S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 113.8 45.3 -44.6 -41.5 25.3 76.3 36.2 384 1007 C Y T 3< S+ 0 0 38 -4,-2.1 3,-0.4 5,-0.1 -1,-0.3 -0.284 72.7 149.1-115.6 43.3 24.8 74.6 32.9 385 1008 C V S < S+ 0 0 65 -3,-1.2 3,-0.1 1,-0.2 4,-0.1 -0.443 70.7 26.3 -64.1 147.5 27.1 76.3 30.4 386 1009 C M S S+ 0 0 170 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.931 104.4 106.5 58.9 56.8 28.4 73.9 27.7 387 1010 C T S >> S- 0 0 37 -3,-0.4 3,-1.5 1,-0.1 4,-0.5 -0.973 85.2-111.4-158.8 151.4 25.3 71.6 27.9 388 1011 C S T 34 S+ 0 0 82 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 0.811 116.5 65.5 -57.9 -27.8 22.2 70.7 26.0 389 1012 C L T 3> S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.478 81.8 77.8 -76.6 -8.4 20.3 72.4 28.9 390 1013 C Q H X> S+ 0 0 44 -3,-1.5 4,-1.9 1,-0.2 3,-0.7 1.000 90.2 51.1 -61.1 -68.8 21.8 75.7 28.0 391 1014 C Q H 3X S+ 0 0 172 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.747 113.4 50.4 -32.4 -35.9 19.5 76.4 25.1 392 1015 C E H 3> S+ 0 0 74 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.899 104.3 49.4 -86.5 -40.7 16.6 75.6 27.4 393 1016 C Y H X S+ 0 0 69 -4,-2.7 3,-1.1 1,-0.2 4,-0.9 0.940 112.4 43.5 -53.4 -53.5 -8.9 109.3 35.7 421 1044 C K H >X S+ 0 0 152 -4,-3.1 3,-0.6 1,-0.3 4,-0.6 0.886 105.6 61.6 -65.3 -38.0 -11.1 108.7 38.7 422 1045 C M H 3< S+ 0 0 84 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.3 0.791 109.6 44.6 -48.9 -32.1 -9.3 111.4 40.7 423 1046 C L H << S+ 0 0 117 -4,-1.3 -2,-0.2 -3,-1.1 -1,-0.2 0.527 87.3 82.9 -96.5 -11.9 -10.6 113.7 37.9 424 1047 C G H << 0 0 64 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.649 360.0 360.0 -54.5 -23.2 -14.1 112.1 38.0 425 1048 C Q < 0 0 212 -4,-0.6 -1,-0.2 -3,-0.3 0, 0.0 -0.947 360.0 360.0 142.3 360.0 -14.1 114.7 40.9