==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-03 1OW7 . COMPND 2 MOLECULE: FOCAL ADHESION KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.K.HOELLERER,M.E.M.NOBLE,G.LABESSE,J.M.WERNER,S.T.AROLD . 448 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 80.1 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 . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 68.8 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 1 0 1 0 1 0 0 0 0 0 0 0 0 1 2 0 0 0 1 0 2 0 3 0 0 3 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 1 916 A N 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.7 18.1 40.2 18.0 2 917 A L - 0 0 23 1,-0.1 2,-0.6 271,-0.1 271,-0.2 0.044 360.0-121.5 -43.1 137.8 19.5 41.4 21.3 3 918 A D - 0 0 49 269,-1.2 3,-0.3 1,-0.1 -1,-0.1 -0.750 25.1-174.0 -85.4 120.7 22.5 43.8 21.3 4 919 A R > + 0 0 46 -2,-0.6 3,-2.4 1,-0.2 -1,-0.1 0.442 49.0 115.2 -96.2 0.1 25.3 42.2 23.2 5 920 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.2 6,-0.0 -2,-0.0 0.769 97.8 12.0 -39.1 -39.7 27.7 45.1 23.1 6 921 A N T 3 S+ 0 0 99 -3,-0.3 2,-1.0 5,-0.0 -1,-0.3 -0.172 88.4 131.8-136.4 41.9 27.5 45.5 26.9 7 922 A D <> - 0 0 9 -3,-2.4 4,-1.7 1,-0.2 5,-0.1 -0.836 28.9-179.4 -95.9 100.0 25.8 42.3 28.0 8 923 A K H > S+ 0 0 90 -2,-1.0 4,-2.5 2,-0.2 5,-0.2 0.866 80.9 55.1 -70.8 -31.9 28.1 41.2 30.8 9 924 A V H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.959 111.0 43.8 -64.0 -50.3 26.0 38.1 31.4 10 925 A Y H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 114.2 52.7 -62.7 -31.9 26.4 37.1 27.8 11 926 A E H X S+ 0 0 109 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.869 111.4 44.5 -72.1 -37.6 30.1 38.0 28.0 12 927 A N H X S+ 0 0 25 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.894 110.6 52.9 -74.5 -41.9 30.7 35.9 31.1 13 928 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.917 109.5 51.0 -58.9 -44.1 28.8 32.9 29.8 14 929 A T H X S+ 0 0 18 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.936 111.2 48.1 -58.5 -44.1 31.0 33.1 26.7 15 930 A G H X S+ 0 0 33 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.881 111.5 49.1 -64.4 -38.5 34.0 33.2 28.9 16 931 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 29,-0.2 -1,-0.2 0.908 112.1 48.7 -67.5 -41.4 32.9 30.2 31.0 17 932 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.872 110.2 51.0 -65.8 -36.8 32.1 28.3 27.8 18 933 A K H X S+ 0 0 123 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.816 110.9 49.7 -69.3 -27.5 35.6 29.1 26.4 19 934 A A H X S+ 0 0 16 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.911 110.0 48.8 -76.2 -44.9 37.1 27.9 29.7 20 935 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.825 113.5 51.2 -61.2 -31.3 35.2 24.7 29.6 21 936 A I H X S+ 0 0 34 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.909 108.1 46.8 -75.0 -43.8 36.4 24.4 26.0 22 937 A E H X S+ 0 0 78 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.857 113.4 51.6 -66.3 -32.5 40.1 25.0 26.5 23 938 A M H X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.917 111.8 47.5 -68.3 -43.6 40.0 22.5 29.4 24 939 A S H < S+ 0 0 27 -4,-1.6 4,-0.4 1,-0.2 3,-0.4 0.885 110.8 46.6 -66.4 -44.4 38.3 20.0 27.2 25 940 A S H < S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.716 120.4 42.9 -71.9 -16.4 40.5 20.1 24.1 26 941 A K H X S+ 0 0 96 -4,-0.9 4,-0.7 -5,-0.2 -1,-0.2 0.514 90.0 88.0-105.1 -8.3 43.6 20.0 26.4 27 942 A I T >< S+ 0 0 1 -4,-0.9 3,-0.9 -3,-0.4 -2,-0.1 0.926 75.8 58.0 -64.9 -49.9 42.6 17.3 28.9 28 943 A Q T 34 S+ 0 0 155 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.883 112.3 37.8 -49.1 -54.9 43.7 14.0 27.4 29 944 A P T 34 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.680 101.5 108.3 -72.6 -13.0 47.5 14.7 27.0 30 945 A A << - 0 0 7 -3,-0.9 -3,-0.0 -4,-0.7 -4,-0.0 -0.314 60.1-140.6 -77.3 146.7 47.6 16.7 30.2 31 946 A P >> - 0 0 41 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.375 37.8-102.7 -87.3 170.4 49.1 15.9 33.7 32 947 A P H 3> S+ 0 0 18 0, 0.0 4,-1.8 0, 0.0 58,-0.1 0.860 122.0 65.2 -67.1 -25.4 47.4 16.9 36.9 33 948 A E H 34 S+ 0 0 149 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.749 110.0 37.5 -64.4 -22.4 49.8 19.8 37.1 34 949 A E H <> S+ 0 0 118 -3,-1.1 4,-0.9 2,-0.1 -1,-0.2 0.775 117.0 47.2-100.1 -31.1 48.3 21.2 34.0 35 950 A Y H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.655 99.9 63.2 -90.8 -12.5 44.6 20.4 34.4 36 951 A V H X S+ 0 0 25 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.935 106.4 46.2 -72.6 -42.9 44.0 21.5 38.0 37 952 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.909 110.0 57.0 -61.8 -40.6 44.8 25.1 37.0 38 953 A M H X S+ 0 0 16 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.876 109.0 43.5 -55.7 -44.2 42.5 24.6 34.0 39 954 A V H X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.843 108.5 60.3 -71.7 -33.7 39.6 23.6 36.3 40 955 A K H X S+ 0 0 137 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.842 104.6 49.4 -61.4 -33.5 40.6 26.6 38.5 41 956 A E H X S+ 0 0 110 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.926 106.8 53.3 -70.3 -44.2 40.0 28.9 35.5 42 957 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.928 110.8 49.9 -54.3 -44.3 36.6 27.3 34.8 43 958 A G H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.876 108.6 49.6 -64.1 -39.7 35.8 28.0 38.4 44 959 A L H X S+ 0 0 92 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.885 112.4 49.4 -66.0 -36.3 36.9 31.7 38.3 45 960 A A H X S+ 0 0 19 -4,-2.5 4,-1.8 2,-0.2 -29,-0.2 0.862 112.0 48.1 -70.2 -38.7 34.8 32.2 35.2 46 961 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.926 111.2 49.6 -68.8 -42.4 31.8 30.6 36.8 47 962 A R H X S+ 0 0 153 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.907 111.5 49.7 -60.8 -43.0 32.2 32.7 40.0 48 963 A T H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.884 111.2 50.3 -60.9 -41.8 32.5 35.9 37.8 49 964 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.921 109.4 48.6 -64.8 -46.6 29.3 34.8 35.9 50 965 A L H X S+ 0 0 15 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.837 108.4 55.3 -66.1 -31.2 27.2 34.2 39.0 51 966 A A H X S+ 0 0 50 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.966 110.2 46.0 -63.0 -52.3 28.3 37.6 40.5 52 967 A T H X S+ 0 0 21 -4,-2.0 4,-1.0 1,-0.2 3,-0.4 0.904 112.7 49.0 -56.1 -47.6 27.1 39.3 37.3 53 968 A V H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.849 105.8 59.3 -63.3 -32.6 23.8 37.4 37.3 54 969 A D H < S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.0 44.8 -64.3 -33.5 23.4 38.3 41.0 55 970 A E H < S+ 0 0 153 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.644 111.1 54.4 -84.1 -15.0 23.5 42.0 40.1 56 971 A T H >< S+ 0 0 18 -4,-1.0 3,-1.9 -3,-0.3 4,-0.3 0.770 88.2 77.0 -88.7 -27.6 21.1 41.6 37.2 57 972 A I G >< S+ 0 0 14 -4,-1.7 3,-2.4 1,-0.3 -1,-0.1 0.887 85.7 61.2 -50.7 -47.8 18.3 39.9 39.0 58 973 A P G 3 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.693 101.9 54.4 -54.1 -20.3 17.0 43.1 40.6 59 974 A L G < S+ 0 0 37 -3,-1.9 -2,-0.2 -4,-0.1 -3,-0.1 0.410 98.4 79.6 -95.0 1.7 16.3 44.5 37.2 60 975 A L S < S- 0 0 7 -3,-2.4 5,-0.1 -4,-0.3 67,-0.1 -0.770 96.0 -80.1-112.5 155.6 14.2 41.6 36.0 61 976 A P >> - 0 0 16 0, 0.0 3,-3.2 0, 0.0 4,-0.9 -0.255 34.4-132.7 -52.1 126.4 10.5 40.7 36.7 62 977 A A T 34 S+ 0 0 80 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.759 105.6 71.6 -53.3 -22.5 10.2 39.1 40.1 63 978 A S T 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.707 101.5 42.7 -67.7 -16.9 8.1 36.5 38.3 64 979 A T T X> S+ 0 0 18 -3,-3.2 4,-1.5 1,-0.1 3,-0.6 0.667 87.8 95.0-101.1 -19.6 11.3 35.2 36.7 65 980 A H H 3X S+ 0 0 45 -4,-0.9 4,-1.8 1,-0.2 -2,-0.1 0.702 83.3 47.3 -44.1 -39.1 13.6 35.3 39.7 66 981 A R H 3> S+ 0 0 169 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.874 106.4 54.7 -78.8 -36.4 13.2 31.7 40.8 67 982 A E H <> S+ 0 0 129 -3,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.873 113.6 46.2 -61.8 -33.0 13.8 30.1 37.5 68 983 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.891 109.1 52.8 -73.9 -42.4 17.0 32.1 37.4 69 984 A E H X S+ 0 0 96 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.800 110.0 50.0 -64.6 -28.0 17.9 31.2 40.9 70 985 A M H X S+ 0 0 81 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.933 108.5 50.1 -76.1 -44.7 17.5 27.5 40.0 71 986 A A H X S+ 0 0 8 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.867 110.8 52.4 -58.4 -36.2 19.6 27.8 37.0 72 987 A Q H X S+ 0 0 14 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.910 109.3 47.8 -66.3 -43.4 22.2 29.4 39.2 73 988 A K H X S+ 0 0 141 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.954 107.4 56.8 -61.4 -48.0 22.0 26.6 41.7 74 989 A L H X S+ 0 0 72 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.879 104.9 52.3 -50.2 -45.6 22.4 24.0 38.9 75 990 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.905 106.4 50.6 -59.8 -47.6 25.7 25.6 37.7 76 991 A N H X S+ 0 0 90 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.847 109.9 55.0 -59.6 -31.4 27.4 25.5 41.2 77 992 A S H X S+ 0 0 55 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.930 105.1 49.8 -65.9 -48.0 26.3 21.9 41.2 78 993 A D H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.851 108.9 51.7 -61.5 -36.9 28.0 21.1 37.9 79 994 A L H X S+ 0 0 20 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.901 108.9 54.1 -65.9 -37.7 31.3 22.8 39.1 80 995 A G H X S+ 0 0 32 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.961 110.8 42.6 -57.9 -54.4 30.8 20.5 42.1 81 996 A E H X S+ 0 0 98 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.850 115.6 51.3 -62.2 -33.8 30.6 17.4 40.0 82 997 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.912 108.1 49.5 -70.8 -42.5 33.4 18.6 37.8 83 998 A I H X S+ 0 0 55 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.928 110.2 54.4 -60.9 -41.7 35.7 19.3 40.7 84 999 A N H >X S+ 0 0 98 -4,-2.2 4,-2.4 1,-0.2 3,-0.7 0.936 108.5 45.0 -54.8 -58.5 35.0 15.8 42.0 85 1000 A K H 3X S+ 0 0 61 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.899 109.0 59.2 -56.7 -38.5 35.9 14.0 38.9 86 1001 A M H 3X S+ 0 0 17 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.838 106.9 46.7 -58.3 -35.4 39.0 16.1 38.7 87 1002 A K H < S+ 0 0 75 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.913 109.5 52.4 -60.9 -47.7 44.4 13.1 40.1 91 1006 A Q H 3< S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.929 113.3 43.1 -55.2 -50.2 44.2 10.1 42.4 92 1007 A Y T >< S+ 0 0 71 -4,-2.4 3,-1.7 -5,-0.2 6,-0.3 -0.023 78.3 148.3 -91.7 32.9 44.3 7.6 39.6 93 1008 A V T < S+ 0 0 56 -3,-1.3 3,-0.1 1,-0.3 -3,-0.1 -0.516 73.0 15.7 -69.6 132.0 47.1 9.3 37.6 94 1009 A M T 3 S+ 0 0 170 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.577 107.0 112.8 81.7 13.7 49.1 6.6 35.7 95 1010 A T S X S- 0 0 57 -3,-1.7 3,-1.8 1,-0.1 4,-0.4 -0.723 84.9-106.9-116.1 165.2 46.5 3.9 36.3 96 1011 A S T 3 S+ 0 0 113 1,-0.3 4,-0.3 -2,-0.2 3,-0.1 0.577 120.6 57.1 -61.8 -6.1 44.1 1.9 34.0 97 1012 A L T 3> S+ 0 0 78 -5,-0.2 4,-1.0 1,-0.1 -1,-0.3 0.509 78.5 90.8-103.9 -4.5 41.4 4.2 35.6 98 1013 A Q H <> S+ 0 0 58 -3,-1.8 4,-1.5 -6,-0.3 5,-0.1 0.832 85.9 50.3 -56.7 -42.2 42.9 7.5 34.5 99 1014 A Q H > S+ 0 0 108 -4,-0.4 4,-2.5 1,-0.2 3,-0.3 0.942 105.7 52.6 -66.9 -51.1 41.0 7.6 31.2 100 1015 A E H > S+ 0 0 92 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.765 110.2 53.0 -59.9 -19.0 37.5 6.9 32.5 101 1016 A Y H X S+ 0 0 44 -4,-1.0 4,-1.4 2,-0.2 -12,-0.2 0.877 107.6 46.2 -86.3 -33.2 38.1 9.8 35.0 102 1017 A K H X S+ 0 0 10 -4,-1.5 4,-2.7 -3,-0.3 -2,-0.2 0.872 110.9 56.3 -70.8 -37.6 39.0 12.4 32.4 103 1018 A K H X S+ 0 0 103 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.846 108.0 45.7 -61.9 -35.3 36.1 11.2 30.3 104 1019 A Q H X S+ 0 0 41 -4,-1.0 4,-2.6 -5,-0.2 -1,-0.2 0.830 109.6 58.0 -75.2 -30.8 33.7 11.9 33.2 105 1020 A M H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.948 105.7 47.6 -60.5 -50.2 35.5 15.2 33.6 106 1021 A L H X S+ 0 0 56 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.913 111.1 52.6 -58.3 -40.9 34.6 16.1 30.1 107 1022 A T H X S+ 0 0 99 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.899 111.1 45.6 -63.5 -38.8 31.1 15.1 30.8 108 1023 A A H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.950 115.3 46.5 -67.6 -47.5 30.9 17.3 33.9 109 1024 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.899 111.8 50.7 -60.3 -45.1 32.5 20.3 32.1 110 1025 A H H X S+ 0 0 57 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.928 109.9 50.3 -60.3 -46.1 30.3 19.9 29.0 111 1026 A A H X S+ 0 0 31 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.874 107.3 55.4 -59.1 -37.7 27.2 19.8 31.3 112 1027 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.958 109.9 45.5 -59.6 -50.0 28.4 22.9 33.0 113 1028 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.882 111.8 50.9 -61.3 -42.4 28.6 24.7 29.6 114 1029 A V H 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0 0 111 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.896 116.5 49.7 -61.2 -35.5 -3.8 96.0 42.7 350 983 C I H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.826 109.9 47.3 -74.0 -31.7 -0.7 98.0 41.9 351 984 C E H X S+ 0 0 89 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.888 113.8 49.8 -75.2 -36.3 1.5 96.5 44.6 352 985 C M H X S+ 0 0 16 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.916 106.9 53.7 -64.8 -45.2 0.2 93.1 43.6 353 986 C A H X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.847 110.0 50.5 -57.6 -37.0 1.1 93.8 39.9 354 987 C Q H X S+ 0 0 15 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.879 106.4 51.6 -69.8 -40.6 4.6 94.7 41.1 355 988 C K H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.898 105.7 57.9 -64.0 -35.6 5.1 91.5 43.1 356 989 C L H X S+ 0 0 17 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.913 104.2 50.6 -59.3 -42.8 4.0 89.6 40.1 357 990 C L H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.863 105.9 57.1 -63.2 -36.6 6.9 91.2 38.1 358 991 C N H X S+ 0 0 32 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.945 108.7 44.3 -57.4 -53.1 9.4 90.2 40.9 359 992 C S H X S+ 0 0 15 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.805 107.4 59.9 -64.5 -30.6 8.5 86.5 40.6 360 993 C D H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.859 107.9 46.2 -64.5 -34.8 8.6 86.7 36.8 361 994 C L H X S+ 0 0 1 -4,-1.5 4,-2.4 -3,-0.4 -2,-0.2 0.821 108.0 56.2 -74.0 -35.6 12.3 87.8 37.1 362 995 C G H X S+ 0 0 14 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.930 106.9 50.0 -61.2 -43.9 12.8 85.0 39.6 363 996 C E H X S+ 0 0 19 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.972 110.6 49.7 -57.0 -55.1 11.6 82.6 37.0 364 997 C L H X S+ 0 0 0 -4,-2.0 4,-1.0 26,-0.3 -1,-0.2 0.844 111.6 48.2 -51.4 -41.5 14.0 84.1 34.4 365 998 C I H X S+ 0 0 5 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.867 108.8 52.7 -70.8 -36.3 16.9 83.9 36.8 366 999 C N H X S+ 0 0 65 -4,-2.2 4,-1.3 -3,-0.3 -2,-0.2 0.852 109.6 50.0 -66.0 -35.9 16.2 80.2 37.7 367 1000 C K H X S+ 0 0 6 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.757 113.1 47.4 -74.7 -23.9 16.2 79.4 34.0 368 1001 C M H X S+ 0 0 3 -4,-1.0 4,-1.7 -5,-0.2 5,-0.3 0.968 107.2 52.5 -77.7 -60.4 19.5 81.2 33.6 369 1002 C K H X S+ 0 0 97 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.813 114.0 48.9 -42.2 -35.2 21.3 79.6 36.6 370 1003 C L H >X S+ 0 0 30 -4,-1.3 4,-1.2 -5,-0.2 3,-0.6 0.955 105.5 51.8 -73.7 -52.8 20.1 76.3 35.0 371 1004 C A H 3< S+ 0 0 0 -4,-1.8 -2,-0.2 12,-0.3 -1,-0.2 0.703 111.1 53.6 -58.9 -14.8 21.3 76.9 31.4 372 1005 C Q H >< S+ 0 0 73 -4,-1.7 3,-0.6 1,-0.2 -1,-0.3 0.836 105.0 50.3 -84.4 -38.9 24.6 77.8 33.1 373 1006 C Q H << S+ 0 0 124 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.619 114.3 49.6 -73.7 -13.6 24.9 74.5 34.9 374 1007 C Y T 3< S+ 0 0 35 -4,-1.2 3,-0.5 5,-0.1 2,-0.3 -0.459 75.2 159.6-127.3 61.5 24.1 72.8 31.6 375 1008 C V < + 0 0 48 -3,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.647 66.5 13.1 -87.2 140.3 26.5 74.2 29.0 376 1009 C M S S+ 0 0 172 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.965 106.3 112.9 60.5 54.7 27.3 72.4 25.8 377 1010 C T S > S- 0 0 37 -3,-0.5 4,-0.7 1,-0.0 -1,-0.2 -0.878 85.8-108.1-143.5 173.1 24.4 69.9 26.4 378 1011 C S H > S+ 0 0 76 -2,-0.3 4,-0.5 1,-0.2 -2,-0.0 0.684 122.7 56.1 -75.9 -18.4 21.1 69.0 24.9 379 1012 C L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.759 90.5 69.7 -83.9 -28.1 19.8 70.7 28.0 380 1013 C Q H 4 S+ 0 0 41 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.873 100.4 47.8 -58.4 -40.5 21.5 74.0 27.4 381 1014 C Q H X S+ 0 0 83 -4,-0.7 4,-1.1 2,-0.1 3,-0.4 0.821 111.3 53.6 -71.1 -28.8 19.2 74.7 24.4 382 1015 C E H >X S+ 0 0 59 -4,-0.5 3,-1.6 1,-0.2 4,-1.6 0.993 103.7 50.0 -69.2 -62.2 16.2 73.8 26.5 383 1016 C Y H 3< S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.3 -12,-0.3 0.479 108.1 59.6 -56.9 -1.5 16.7 76.1 29.5 384 1017 C K H 3> S+ 0 0 3 -3,-0.4 4,-2.7 -5,-0.2 -1,-0.3 0.776 100.6 50.8 -94.0 -37.3 17.1 78.8 26.9 385 1018 C K H S+ 0 0 0 -4,-0.5 4,-1.9 -5,-0.2 -2,-0.2 0.946 109.3 48.7 -65.4 -45.9 14.6 81.7 29.6 388 1021 C L H X S+ 0 0 54 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.902 111.9 49.8 -57.6 -42.5 12.8 83.2 26.6 389 1022 C T H X S+ 0 0 87 -4,-1.5 4,-1.7 1,-0.2 3,-0.2 0.965 110.5 48.0 -58.0 -57.7 9.4 82.1 28.0 390 1023 C A H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -26,-0.3 0.753 113.1 49.4 -56.0 -31.9 10.1 83.6 31.4 391 1024 C A H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.829 105.7 54.0 -81.2 -34.7 11.2 86.9 29.9 392 1025 C H H X S+ 0 0 126 -4,-2.1 4,-2.3 -3,-0.2 -2,-0.2 0.855 108.8 53.1 -65.4 -31.3 8.2 87.2 27.6 393 1026 C A H X S+ 0 0 29 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.940 104.2 53.2 -67.3 -49.6 6.1 86.8 30.8 394 1027 C L H X S+ 0 0 0 -4,-1.5 4,-1.9 -34,-0.2 -1,-0.2 0.876 112.2 47.6 -52.5 -39.0 8.0 89.6 32.5 395 1028 C A H X S+ 0 0 11 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.893 109.0 49.5 -73.9 -40.9 7.2 91.8 29.4 396 1029 C V H X S+ 0 0 61 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.875 115.2 47.3 -64.8 -35.8 3.4 91.0 29.2 397 1030 C D H X S+ 0 0 24 -4,-2.4 4,-3.0 2,-0.2 3,-0.5 0.879 104.0 57.8 -72.6 -40.7 3.1 91.7 32.9 398 1031 C A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.885 108.5 49.2 -57.8 -35.5 5.1 95.0 32.8 399 1032 C K H X S+ 0 0 125 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.756 110.3 50.7 -74.3 -24.0 2.5 96.1 30.3 400 1033 C N H X S+ 0 0 64 -4,-0.7 4,-2.4 -3,-0.5 -2,-0.2 0.865 105.0 55.7 -80.3 -35.9 -0.3 94.9 32.6 401 1034 C L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.972 108.9 48.7 -54.9 -55.0 1.3 96.8 35.5 402 1035 C L H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.909 108.5 53.9 -50.9 -49.5 1.0 99.9 33.3 403 1036 C D H X S+ 0 0 51 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.908 107.2 49.9 -54.8 -46.9 -2.6 99.1 32.5 404 1037 C V H X S+ 0 0 18 -4,-2.4 4,-2.8 1,-0.2 3,-0.4 0.980 110.6 49.8 -54.3 -60.6 -3.6 98.9 36.2 405 1038 C I H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.3 -1,-0.2 0.818 107.9 53.9 -49.2 -36.1 -2.0 102.2 37.0 406 1039 C D H X S+ 0 0 5 -4,-1.9 4,-3.1 2,-0.2 -1,-0.3 0.932 108.7 48.1 -68.0 -42.2 -3.8 103.9 34.0 407 1040 C Q H X S+ 0 0 92 -4,-2.0 4,-2.8 -3,-0.4 -2,-0.2 0.917 111.9 53.1 -60.0 -40.9 -7.1 102.6 35.4 408 1041 C A H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.936 110.8 43.9 -60.2 -47.4 -5.9 104.0 38.7 409 1042 C R H X S+ 0 0 41 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.933 112.8 51.8 -67.2 -39.7 -5.2 107.4 37.2 410 1043 C L H >X S+ 0 0 66 -4,-3.1 4,-1.7 2,-0.2 3,-0.7 0.909 109.0 51.8 -60.5 -40.7 -8.5 107.4 35.3 411 1044 C K H >< S+ 0 0 122 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.992 107.8 50.6 -56.6 -62.9 -10.3 106.6 38.5 412 1045 C M H 3< S+ 0 0 98 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.653 111.1 51.3 -50.2 -19.0 -8.6 109.5 40.3 413 1046 C L H << 0 0 132 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.768 360.0 360.0 -91.3 -27.8 -9.7 111.8 37.5 414 1047 C G << 0 0 107 -4,-1.7 -1,-0.2 -3,-1.5 -2,-0.1 -0.592 360.0 360.0-108.0 360.0 -13.4 110.8 37.4 415 !* 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 0.0 416 2 D T 0 0 45 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -0.2 24.7 34.1 20.2 417 3 D R + 0 0 221 2,-0.2 4,-0.3 3,-0.1 5,-0.0 0.819 360.0 42.1 -83.9 -30.3 25.7 32.9 16.7 418 4 D E S > S+ 0 0 156 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.808 113.8 50.7 -80.1 -35.1 29.3 33.2 17.8 419 5 D L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.712 108.2 56.4 -71.7 -21.8 28.5 31.7 21.2 420 6 D D H > S+ 0 0 74 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.637 95.9 60.4 -84.6 -16.9 26.8 28.9 19.1 421 7 D E H > S+ 0 0 146 -3,-0.4 4,-1.0 -4,-0.3 -2,-0.2 0.889 112.5 42.6 -71.2 -40.1 30.0 28.3 17.2 422 8 D L H >X S+ 0 0 28 -4,-1.1 3,-1.2 2,-0.2 4,-0.8 0.960 109.2 52.8 -67.7 -58.0 31.3 27.4 20.7 423 9 D M H >< S+ 0 0 30 -4,-2.7 3,-0.6 1,-0.3 4,-0.2 0.849 110.3 53.4 -49.2 -31.9 28.3 25.5 21.9 424 10 D A H >< S+ 0 0 60 -4,-1.2 3,-1.5 1,-0.2 -1,-0.3 0.808 92.6 70.6 -72.8 -32.4 28.8 23.5 18.7 425 11 D S H << S+ 0 0 82 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.713 103.2 43.7 -57.9 -23.3 32.5 22.7 19.5 426 12 D L T << 0 0 29 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.485 360.0 360.0 -98.8 -7.3 31.4 20.4 22.3 427 13 D S < 0 0 151 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.687 360.0 360.0 78.1 360.0 28.7 18.9 20.0 428 !* 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 0.0 429 2 E T > 0 0 85 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -7.3 17.4 62.1 43.8 430 3 E R T 4 + 0 0 222 2,-0.2 4,-0.2 1,-0.2 5,-0.0 0.808 360.0 42.4 -76.9 -29.2 19.1 63.6 46.8 431 4 E E T > S+ 0 0 152 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.723 112.4 54.8 -84.6 -26.2 18.3 67.1 45.4 432 5 E L H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.834 107.7 50.2 -73.3 -34.5 14.9 65.8 44.4 433 6 E D H X S+ 0 0 56 -4,-1.6 4,-0.9 2,-0.3 -1,-0.2 0.588 97.9 64.1 -80.5 -12.3 14.4 64.7 48.1 434 7 E E H 4 S+ 0 0 138 -4,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.831 111.4 41.6 -73.3 -31.6 15.4 68.2 49.3 435 8 E L H >X S+ 0 0 42 -4,-0.8 3,-1.0 2,-0.2 4,-0.6 0.884 111.3 52.3 -77.8 -46.1 12.3 69.1 47.4 436 9 E M H 3< S+ 0 0 11 -4,-2.0 -2,-0.2 1,-0.3 3,-0.2 0.710 109.6 52.2 -65.0 -20.3 10.2 66.1 48.6 437 10 E A T 3< S+ 0 0 67 -4,-0.9 3,-0.4 1,-0.2 -1,-0.3 0.629 97.6 68.5 -89.3 -14.2 11.2 67.1 52.1 438 11 E S T <4 S+ 0 0 52 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.688 98.6 47.5 -76.7 -22.4 10.0 70.7 51.4 439 12 E L < 0 0 17 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.416 360.0 360.0 -95.9 -1.4 6.3 69.7 51.2 440 13 E S 0 0 155 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.493 360.0 360.0 67.8 360.0 6.9 67.7 54.5 441 !* 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 0.0 442 2 F T > 0 0 82 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -9.6 13.9 96.4 46.5 443 3 F R H > + 0 0 218 2,-0.2 4,-0.5 1,-0.2 5,-0.0 0.819 360.0 43.2 -76.0 -30.8 15.5 94.3 49.2 444 4 F E H > S+ 0 0 120 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.675 113.0 53.3 -84.4 -22.0 14.0 91.1 47.6 445 5 F L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.765 107.2 51.4 -81.1 -29.3 15.0 92.5 44.2 446 6 F D H X S+ 0 0 55 -4,-1.4 4,-1.5 2,-0.3 -2,-0.2 0.696 99.1 62.4 -80.1 -21.5 18.6 92.9 45.4 447 7 F E H X S+ 0 0 141 -4,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.904 111.7 42.4 -64.4 -38.8 18.6 89.4 46.7 448 8 F L H >X S+ 0 0 32 -4,-0.7 4,-0.9 2,-0.2 3,-0.7 0.914 111.3 50.8 -71.3 -48.6 18.1 88.8 43.0 449 9 F M H 3< S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.718 110.9 52.1 -65.4 -19.9 20.6 91.4 41.7 450 10 F A H >< S+ 0 0 68 -4,-1.5 3,-0.9 1,-0.2 -1,-0.3 0.679 96.1 68.0 -87.1 -22.1 23.2 89.8 44.0 451 11 F S H << S+ 0 0 48 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.838 98.3 51.8 -65.2 -33.7 22.5 86.3 42.6 452 12 F L T 3< 0 0 20 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.546 360.0 360.0 -79.0 -8.6 24.1 87.5 39.4 453 13 F S < 0 0 153 -3,-0.9 -1,-0.3 -4,-0.0 -2,-0.1 -0.451 360.0 360.0 70.9 360.0 27.1 88.6 41.4