==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/METAL-BINDING PROTEIN 16-SEP-09 2WTK . COMPND 2 MOLECULE: CALCIUM-BINDING PROTEIN 39; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ZEQIRAJ,D.M.F.VAN AALTEN . 1818 30 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 81940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1245 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 183 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.6 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 . 95 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 243 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 681 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 9 4 4 10 6 2 8 2 2 2 3 2 12 1 1 0 4 1 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 7 11 5 1 4 5 4 1 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 . 8 0 4 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 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 9 A H 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.5 -50.5 32.0 89.5 2 10 A K - 0 0 80 4,-0.0 4,-0.5 3,-0.0 5,-0.1 0.722 360.0-162.5-113.4 -55.5 -47.4 32.6 87.4 3 11 A S >> - 0 0 57 3,-0.1 4,-2.2 2,-0.1 3,-0.7 0.527 36.1 -85.7 78.2 139.4 -47.7 36.1 85.8 4 12 A P H 3> S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 123.5 52.9 -40.9 -50.7 -45.9 37.8 82.9 5 13 A A H 3> S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -2,-0.1 0.854 110.0 45.1 -62.4 -41.4 -42.9 38.9 85.0 6 14 A D H <> S+ 0 0 76 -3,-0.7 4,-3.3 -4,-0.5 -1,-0.2 0.880 112.4 52.9 -70.2 -38.3 -42.1 35.5 86.5 7 15 A I H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.911 111.5 46.4 -61.5 -43.8 -42.5 33.9 83.1 8 16 A V H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.947 114.1 47.6 -64.0 -47.4 -40.0 36.4 81.7 9 17 A K H X S+ 0 0 114 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.943 112.3 49.9 -57.8 -46.9 -37.7 35.9 84.6 10 18 A N H X S+ 0 0 57 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.948 113.4 44.7 -57.3 -50.9 -37.9 32.1 84.2 11 19 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.785 111.4 55.2 -63.5 -31.3 -37.2 32.2 80.5 12 20 A K H X S+ 0 0 107 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.927 110.8 44.3 -66.2 -46.4 -34.3 34.7 81.1 13 21 A E H X S+ 0 0 106 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.913 114.5 47.7 -69.3 -39.2 -32.7 32.3 83.6 14 22 A S H X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.706 109.4 52.5 -78.6 -19.2 -33.1 29.2 81.5 15 23 A M H X S+ 0 0 2 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.858 107.1 54.0 -75.9 -35.7 -31.8 30.9 78.3 16 24 A A H < S+ 0 0 59 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.918 106.6 52.7 -60.4 -42.3 -28.7 31.9 80.3 17 25 A V H < S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 107.3 51.5 -62.8 -37.6 -28.3 28.3 81.2 18 26 A L H < S+ 0 0 27 -4,-1.1 2,-1.3 1,-0.2 -2,-0.2 0.947 104.0 58.6 -65.7 -47.7 -28.4 27.2 77.6 19 27 A E S < S+ 0 0 112 -4,-2.1 2,-0.2 -5,-0.0 -1,-0.2 -0.698 81.7 112.7 -84.5 92.6 -25.8 29.7 76.4 20 28 A K 0 0 109 -2,-1.3 -3,-0.0 1,-0.2 -4,-0.0 -0.813 360.0 360.0-168.1 122.9 -22.8 28.6 78.6 21 29 A Q 0 0 191 -2,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.993 360.0 360.0 59.7 360.0 -19.5 27.0 77.7 22 ! 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 23 31 A I 0 0 79 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -48.7 -22.2 23.5 81.0 24 32 A S - 0 0 50 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.963 360.0-113.9 178.9-175.9 -23.6 20.0 81.9 25 33 A D S >> S+ 0 0 130 -2,-0.3 4,-1.3 3,-0.1 3,-0.7 0.726 107.5 39.3-103.7 -65.8 -25.7 17.1 80.7 26 34 A K H 3> S+ 0 0 144 1,-0.2 4,-1.5 2,-0.2 3,-0.1 0.871 115.5 52.3 -53.4 -45.3 -28.7 17.0 83.2 27 35 A K H 3> S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.783 102.6 59.1 -66.7 -31.2 -29.1 20.8 83.4 28 36 A A H <> S+ 0 0 32 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.939 106.8 45.6 -64.1 -49.9 -29.2 21.3 79.6 29 37 A E H X S+ 0 0 155 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.862 112.6 54.0 -58.6 -37.8 -32.3 19.0 79.2 30 38 A K H X S+ 0 0 114 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.937 110.8 43.2 -62.9 -50.7 -33.8 20.8 82.2 31 39 A A H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.889 110.0 56.9 -65.0 -40.3 -33.4 24.3 80.6 32 40 A T H X S+ 0 0 58 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.900 110.9 45.3 -53.5 -42.8 -34.6 23.0 77.2 33 41 A E H X S+ 0 0 113 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.915 113.6 47.4 -69.9 -47.0 -37.8 21.9 79.0 34 42 A E H X S+ 0 0 68 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 113.8 49.4 -59.7 -41.3 -38.2 25.2 80.9 35 43 A V H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.953 112.7 45.4 -64.6 -49.7 -37.5 27.2 77.8 36 44 A S H X S+ 0 0 35 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.922 116.6 44.9 -61.8 -46.4 -40.0 25.3 75.6 37 45 A K H X S+ 0 0 135 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.861 111.5 53.0 -67.0 -37.2 -42.8 25.4 78.3 38 46 A N H X S+ 0 0 13 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.926 107.7 50.6 -65.5 -44.0 -42.2 29.0 79.1 39 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.849 108.3 53.1 -60.2 -38.3 -42.6 30.1 75.5 40 48 A V H X S+ 0 0 61 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.934 109.0 49.5 -60.2 -46.2 -45.8 28.1 75.3 41 49 A A H X S+ 0 0 21 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.886 112.5 48.9 -60.7 -38.3 -47.1 30.0 78.3 42 50 A M H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.936 110.4 48.4 -67.0 -46.6 -46.0 33.3 76.6 43 51 A K H X S+ 0 0 37 -4,-2.9 4,-3.4 1,-0.2 -2,-0.2 0.905 109.9 53.3 -60.5 -41.7 -47.8 32.5 73.3 44 52 A E H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 106.2 52.0 -61.4 -46.1 -51.0 31.5 75.2 45 53 A I H < S+ 0 0 35 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.864 116.6 41.5 -51.0 -40.0 -51.0 34.8 77.0 46 54 A L H < 0 0 3 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.876 360.0 360.0 -83.2 -40.0 -50.7 36.5 73.6 47 55 A Y < 0 0 57 -4,-3.4 4,-0.3 -5,-0.1 -3,-0.2 0.450 360.0 360.0-109.7 360.0 -53.1 34.3 71.7 48 ! 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 49 58 A N 0 0 173 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 81.3 -58.1 27.0 72.7 50 59 A E + 0 0 209 1,-0.2 2,-0.4 0, 0.0 443,-0.0 0.927 360.0 138.2 64.5 49.3 -61.0 29.5 72.1 51 60 A K - 0 0 152 -4,-0.3 -1,-0.2 -7,-0.1 3,-0.0 -0.979 48.0-144.8-131.2 116.3 -59.5 31.9 74.6 52 61 A E - 0 0 161 -2,-0.4 3,-0.1 -3,-0.1 -5,-0.1 -0.751 33.9-107.4 -90.9 110.7 -59.3 35.6 74.0 53 62 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 0.082 29.4-116.4 -38.8 130.3 -56.1 37.2 75.5 54 63 A Q > - 0 0 145 -9,-0.2 4,-1.6 1,-0.1 3,-0.0 -0.628 22.0-141.5 -76.6 125.8 -56.5 39.3 78.7 55 64 A T H > S+ 0 0 121 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.754 94.8 49.0 -66.2 -33.1 -55.5 42.8 77.8 56 65 A E H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 108.4 54.5 -74.1 -42.9 -53.7 43.8 81.1 57 66 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.898 108.8 50.5 -50.6 -43.4 -51.7 40.6 81.1 58 67 A V H X S+ 0 0 18 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.916 106.9 53.2 -65.1 -42.0 -50.5 41.5 77.6 59 68 A A H X S+ 0 0 29 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.817 112.8 44.1 -62.2 -32.7 -49.5 45.0 78.6 60 69 A Q H X S+ 0 0 86 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.835 111.4 52.0 -86.9 -35.2 -47.3 43.7 81.4 61 70 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.944 111.4 49.5 -60.8 -47.3 -45.8 41.0 79.4 62 71 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.917 111.1 48.3 -56.8 -46.8 -44.9 43.6 76.8 63 72 A Q H X S+ 0 0 91 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.928 113.1 47.0 -65.7 -42.8 -43.4 45.9 79.4 64 73 A E H X S+ 0 0 49 -4,-2.4 4,-2.7 1,-0.2 6,-0.3 0.918 108.0 56.0 -62.4 -45.0 -41.3 43.1 81.0 65 74 A L H X S+ 0 0 0 -4,-2.9 6,-0.9 -5,-0.2 4,-0.9 0.892 113.3 43.0 -55.0 -40.7 -40.1 42.0 77.5 66 75 A Y H >< S+ 0 0 24 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.995 115.6 45.6 -64.1 -63.7 -38.9 45.5 77.0 67 76 A N H 3< S+ 0 0 102 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.748 114.9 46.9 -55.1 -30.6 -37.3 46.1 80.4 68 77 A S H 3< S- 0 0 27 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.698 97.4-127.9 -91.5 -20.1 -35.5 42.8 80.6 69 78 A G + 0 0 0 -6,-0.3 4,-3.5 -5,-0.2 5,-0.3 0.834 64.2 56.9 -53.7 -41.4 -35.4 39.1 76.7 71 80 A L H > S+ 0 0 3 -6,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.968 107.4 49.8 -56.3 -48.6 -36.7 39.8 73.1 72 81 A S H > S+ 0 0 31 -7,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.909 113.4 47.4 -56.1 -38.8 -33.1 40.6 72.2 73 82 A T H X S+ 0 0 44 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.939 106.3 55.0 -68.1 -47.5 -32.0 37.3 73.9 74 83 A L H < S+ 0 0 2 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.823 117.0 40.0 -53.1 -31.6 -34.7 35.2 72.2 75 84 A V H >< S+ 0 0 11 -4,-1.8 3,-1.0 -5,-0.3 -2,-0.2 0.913 113.2 51.2 -85.4 -49.1 -33.4 36.5 68.9 76 85 A A H 3< S+ 0 0 51 -4,-3.2 3,-0.3 1,-0.2 -2,-0.2 0.891 123.2 31.4 -52.0 -40.6 -29.6 36.4 69.6 77 86 A D T >< S+ 0 0 30 -4,-2.7 3,-3.8 -5,-0.2 4,-0.4 0.224 74.4 127.8-112.8 13.3 -29.8 32.8 70.8 78 87 A L G X + 0 0 0 -3,-1.0 3,-1.0 1,-0.3 -1,-0.2 0.715 68.7 67.4 -41.3 -30.3 -32.6 31.4 68.6 79 88 A Q G 3 S+ 0 0 138 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.735 95.9 56.1 -66.5 -20.8 -30.2 28.6 67.6 80 89 A L G < S+ 0 0 43 -3,-3.8 -1,-0.2 2,-0.0 -2,-0.2 0.564 90.5 87.7 -89.5 -11.6 -30.3 27.2 71.2 81 90 A I S < S- 0 0 7 -3,-1.0 -49,-0.1 -4,-0.4 2,-0.0 -0.452 84.0-107.3 -84.5 159.3 -34.1 26.9 71.3 82 91 A D > - 0 0 49 -50,-0.2 4,-2.8 -2,-0.1 5,-0.2 -0.236 37.7 -89.0 -82.7 178.2 -35.8 23.7 70.1 83 92 A F H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.926 127.0 33.8 -53.5 -59.6 -37.8 23.2 66.9 84 93 A E H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.754 115.3 62.6 -73.2 -20.2 -41.3 24.1 68.2 85 94 A G H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.960 99.3 52.2 -62.4 -52.7 -39.6 26.7 70.5 86 95 A K H X S+ 0 0 14 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.861 109.5 49.3 -52.5 -43.6 -38.2 28.6 67.5 87 96 A K H X S+ 0 0 10 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.851 108.7 53.5 -64.3 -38.4 -41.7 28.9 65.9 88 97 A D H X S+ 0 0 14 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.824 105.3 54.1 -68.3 -34.2 -43.2 30.1 69.2 89 98 A V H X S+ 0 0 3 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.936 107.8 50.8 -60.6 -45.9 -40.6 32.8 69.4 90 99 A A H X S+ 0 0 3 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.929 112.7 45.1 -62.0 -42.1 -41.6 33.9 65.9 91 100 A Q H X S+ 0 0 41 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.807 115.1 47.5 -72.7 -31.1 -45.3 34.0 66.9 92 101 A I H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.934 115.0 46.2 -70.0 -47.4 -44.6 35.8 70.2 93 102 A F H X S+ 0 0 3 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.935 111.8 51.8 -61.0 -45.9 -42.3 38.3 68.4 94 103 A N H X S+ 0 0 18 -4,-3.2 4,-0.8 -5,-0.3 -1,-0.2 0.855 110.7 48.8 -62.4 -31.7 -44.9 38.8 65.7 95 104 A N H >X S+ 0 0 16 -4,-1.4 4,-0.9 1,-0.2 3,-0.6 0.915 110.6 45.1 -78.3 -44.4 -47.7 39.5 68.2 96 105 A I H 3< S+ 0 0 2 -4,-2.3 11,-0.4 1,-0.2 -1,-0.2 0.778 106.6 64.2 -71.1 -20.1 -46.0 42.0 70.4 97 106 A L H 3< S+ 0 0 1 -4,-1.6 11,-0.2 -5,-0.3 -1,-0.2 0.817 103.9 46.3 -66.5 -32.2 -44.8 43.7 67.2 98 107 A R H << S+ 0 0 46 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.660 84.3 126.7 -85.6 -19.6 -48.4 44.5 66.3 99 108 A R < - 0 0 49 -4,-0.9 2,-0.4 -3,-0.1 8,-0.3 -0.020 41.6-164.5 -35.5 135.0 -49.4 45.8 69.8 100 109 A Q - 0 0 62 5,-0.2 2,-0.5 6,-0.1 5,-0.2 -0.995 21.0-174.9-133.4 134.1 -51.0 49.2 69.7 101 110 A I B > S-A 104 0A 72 3,-1.6 3,-2.8 -2,-0.4 -2,-0.0 -0.996 72.6 -50.4-122.2 122.0 -51.6 51.8 72.4 102 111 A G T 3 S- 0 0 46 -2,-0.5 803,-0.7 1,-0.3 0, 0.0 -0.255 121.4 -24.5 48.5-126.0 -53.6 54.7 71.0 103 112 A T T 3 S+ 0 0 43 801,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.435 120.5 99.3 -91.4 -0.3 -51.7 55.8 67.9 104 113 A R B < -A 101 0A 105 -3,-2.8 -3,-1.6 1,-0.0 0, 0.0 -0.479 58.2-155.6 -92.3 160.7 -48.4 54.4 69.1 105 114 A T >> - 0 0 31 -5,-0.2 4,-1.7 -2,-0.2 3,-1.3 -0.724 15.2-171.8-133.2 77.4 -46.7 51.1 68.2 106 115 A P H 3> S+ 0 0 14 0, 0.0 4,-3.2 0, 0.0 -1,-0.1 0.779 78.5 53.2 -56.1 -37.1 -44.5 50.5 71.2 107 116 A T H 3> S+ 0 0 1 -11,-0.4 4,-3.1 -8,-0.3 5,-0.1 0.837 109.5 51.4 -65.2 -31.9 -42.5 47.5 70.0 108 117 A V H <> S+ 0 0 7 -3,-1.3 4,-2.2 -11,-0.2 -1,-0.2 0.956 110.6 47.5 -67.3 -49.6 -41.5 49.5 66.9 109 118 A E H X S+ 0 0 88 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.949 113.5 50.8 -51.6 -48.1 -40.4 52.4 69.1 110 119 A Y H >< S+ 0 0 28 -4,-3.2 3,-2.4 1,-0.2 -2,-0.2 0.956 108.7 48.6 -52.5 -57.0 -38.6 49.8 71.2 111 120 A I H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.808 101.3 64.0 -62.1 -30.7 -36.8 48.2 68.2 112 121 A C H 3< S+ 0 0 44 -4,-2.2 -1,-0.3 1,-0.3 3,-0.3 0.720 109.3 41.5 -62.0 -20.5 -35.7 51.6 66.9 113 122 A T T << S+ 0 0 107 -3,-2.4 -1,-0.3 -4,-0.7 -2,-0.2 0.287 120.9 45.2-103.5 7.2 -33.7 51.9 70.2 114 123 A Q X + 0 0 68 -3,-1.6 3,-2.0 -4,-0.2 4,-0.3 -0.325 65.4 156.8-146.7 49.9 -32.6 48.2 69.8 115 124 A Q T >> + 0 0 70 -3,-0.3 4,-1.8 1,-0.3 3,-0.6 0.664 59.3 81.9 -63.3 -17.2 -31.6 47.9 66.2 116 125 A N H 3> S+ 0 0 91 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.860 80.7 67.0 -57.0 -32.0 -29.4 44.9 66.9 117 126 A I H <> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.948 103.7 44.7 -52.1 -48.0 -32.6 42.8 66.8 118 127 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.919 112.5 50.2 -63.5 -43.5 -32.9 43.7 63.0 119 128 A F H X S+ 0 0 54 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.887 112.2 47.1 -67.3 -36.0 -29.2 43.0 62.3 120 129 A M H X S+ 0 0 45 -4,-2.9 4,-0.7 2,-0.2 -1,-0.2 0.875 111.7 51.1 -68.7 -38.5 -29.3 39.7 64.0 121 130 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 -5,-0.3 4,-0.4 0.937 109.6 50.3 -63.9 -42.6 -32.5 38.7 62.2 122 131 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.914 106.3 54.2 -62.4 -45.5 -31.0 39.6 58.9 123 132 A K H >< S+ 0 0 135 -4,-1.9 3,-2.0 1,-0.2 4,-0.3 0.673 89.8 82.5 -58.1 -20.0 -27.8 37.5 59.6 124 133 A G G X< S+ 0 0 2 -3,-1.0 3,-2.0 -4,-0.7 6,-0.3 0.805 74.4 70.2 -58.6 -30.5 -30.2 34.6 60.2 125 134 A Y G < S+ 0 0 3 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.727 90.5 63.7 -60.9 -19.2 -30.5 33.9 56.5 126 135 A E G < S+ 0 0 84 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.741 96.2 65.3 -75.7 -22.2 -26.9 32.7 56.9 127 136 A S X> - 0 0 54 -3,-2.0 4,-1.7 -4,-0.3 3,-1.1 -0.886 66.3-158.2-111.6 112.2 -27.9 29.9 59.2 128 137 A P T 34 S+ 0 0 103 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.869 90.2 62.1 -52.9 -42.5 -30.1 27.0 57.9 129 138 A E T 34 S+ 0 0 150 1,-0.2 3,-0.0 2,-0.1 -5,-0.0 0.845 123.0 18.3 -51.9 -36.2 -31.3 26.0 61.3 130 139 A I T <> S+ 0 0 22 -3,-1.1 4,-2.3 -6,-0.3 5,-0.3 0.418 92.2 102.9-121.4 -3.0 -33.0 29.4 61.9 131 140 A A H X S+ 0 0 1 -4,-1.7 4,-2.2 -3,-0.2 5,-0.1 0.846 80.5 53.2 -56.3 -41.3 -33.3 31.1 58.4 132 141 A L H > S+ 0 0 34 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.933 113.8 40.3 -64.4 -48.1 -37.1 30.4 58.0 133 142 A N H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.895 113.8 52.7 -67.1 -45.2 -38.2 32.0 61.3 134 143 A C H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.930 112.3 48.4 -52.6 -44.1 -35.8 34.9 61.1 135 144 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.922 109.9 50.7 -61.1 -46.9 -37.3 35.4 57.7 136 145 A I H X S+ 0 0 30 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.883 114.1 44.4 -57.2 -42.9 -40.8 35.2 59.1 137 146 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.807 111.3 54.3 -75.3 -32.6 -40.0 37.8 61.8 138 147 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.939 103.5 53.3 -67.0 -47.0 -38.2 40.1 59.4 139 148 A R H < S+ 0 0 45 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.825 110.4 50.2 -62.4 -29.6 -41.1 40.3 57.0 140 149 A E H >< S+ 0 0 37 -4,-1.0 3,-0.9 -5,-0.2 4,-0.3 0.903 108.7 51.4 -69.0 -44.4 -43.2 41.3 60.1 141 150 A C H >< S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 6,-0.3 0.941 105.6 56.4 -55.8 -47.1 -40.6 44.0 61.1 142 151 A I T 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 6,-0.2 0.633 85.8 77.3 -67.3 -13.5 -40.7 45.5 57.6 143 152 A R T < S+ 0 0 80 -3,-0.9 2,-0.6 -4,-0.4 -1,-0.3 0.714 88.0 73.7 -61.6 -16.9 -44.5 46.0 57.6 144 153 A H S X> S- 0 0 33 -3,-2.0 4,-2.1 -4,-0.3 3,-0.9 -0.876 84.1-139.8-108.6 119.9 -43.5 49.0 59.8 145 154 A E H 3> S+ 0 0 60 -2,-0.6 4,-2.7 1,-0.3 -1,-0.1 0.849 98.0 51.3 -50.5 -48.1 -41.9 51.9 57.9 146 155 A P H 3> S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.871 111.9 48.8 -61.5 -32.3 -39.2 52.8 60.5 147 156 A L H <> S+ 0 0 0 -3,-0.9 4,-1.5 -6,-0.3 -2,-0.2 0.846 110.7 48.8 -76.5 -32.9 -38.0 49.2 60.6 148 157 A A H X S+ 0 0 1 -4,-2.1 4,-3.2 -7,-0.3 5,-0.3 0.895 108.7 56.7 -68.9 -37.0 -37.9 48.9 56.9 149 158 A K H X S+ 0 0 101 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.958 105.3 49.7 -55.4 -52.2 -36.0 52.2 56.8 150 159 A I H < S+ 0 0 27 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.885 116.4 42.3 -57.3 -39.7 -33.3 50.8 59.1 151 160 A I H >< S+ 0 0 0 -4,-1.5 3,-1.6 2,-0.2 6,-0.4 0.973 113.3 49.8 -72.9 -51.1 -32.9 47.7 57.0 152 161 A L H 3< S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.785 114.3 46.1 -56.1 -33.1 -33.0 49.4 53.6 153 162 A W T 3< S+ 0 0 80 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.3 0.468 96.7 96.7 -92.2 -5.5 -30.4 52.0 54.6 154 163 A S S X S- 0 0 19 -3,-1.6 3,-1.8 -4,-0.4 4,-0.4 -0.639 78.8-126.6 -87.4 142.4 -28.0 49.3 56.2 155 164 A E G > S+ 0 0 119 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.763 109.3 68.3 -45.0 -32.5 -25.0 47.7 54.6 156 165 A Q G > S+ 0 0 50 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.791 81.3 76.1 -67.2 -24.4 -26.6 44.4 55.5 157 166 A F G X S+ 0 0 0 -3,-1.8 3,-1.7 -6,-0.4 4,-0.3 0.859 86.0 62.4 -51.9 -37.3 -29.3 45.1 52.9 158 167 A Y G X S+ 0 0 21 -3,-1.2 3,-1.3 -4,-0.4 4,-0.3 0.714 83.5 76.1 -65.6 -17.6 -26.8 44.2 50.2 159 168 A D G X> S+ 0 0 39 -3,-2.1 4,-2.4 -4,-0.3 3,-2.0 0.785 77.5 76.6 -66.2 -22.6 -26.5 40.7 51.5 160 169 A F H <> S+ 0 0 1 -3,-1.7 4,-2.9 -4,-0.4 -1,-0.3 0.850 84.3 63.5 -53.2 -36.1 -29.9 40.0 49.9 161 170 A F H <4 S+ 0 0 16 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.703 110.6 38.5 -64.0 -18.4 -28.1 39.9 46.5 162 171 A R H X4 S+ 0 0 130 -3,-2.0 3,-1.8 -4,-0.3 -2,-0.2 0.868 114.8 52.9 -89.9 -51.9 -26.3 36.8 47.9 163 172 A Y H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 12,-0.2 0.817 101.9 58.2 -51.5 -42.3 -29.3 35.3 49.7 164 173 A V T 3< S+ 0 0 5 -4,-2.9 -1,-0.3 1,-0.3 -3,-0.1 0.677 107.1 49.4 -68.3 -14.1 -31.7 35.4 46.7 165 174 A E T < S+ 0 0 72 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.197 77.4 136.5-111.0 14.7 -29.3 33.2 44.7 166 175 A M < - 0 0 47 -3,-1.4 6,-0.1 2,-0.1 -3,-0.0 -0.287 61.0-129.1 -58.2 143.2 -28.7 30.5 47.3 167 176 A S S S+ 0 0 73 1,-0.1 2,-1.1 235,-0.1 236,-0.4 0.773 95.2 83.0 -72.9 -23.5 -28.8 27.1 45.9 168 177 A T S >> S- 0 0 60 1,-0.2 4,-1.9 234,-0.1 3,-0.6 -0.725 73.0-159.8 -78.1 102.2 -31.4 26.0 48.6 169 178 A F H 3> S+ 0 0 10 232,-2.0 4,-3.3 -2,-1.1 5,-0.2 0.789 79.4 62.2 -60.1 -35.8 -34.5 27.4 46.8 170 179 A D H 3> S+ 0 0 31 231,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.908 110.2 39.9 -56.6 -47.0 -36.8 27.6 50.0 171 180 A I H <> S+ 0 0 24 -3,-0.6 4,-3.8 2,-0.2 5,-0.3 0.928 114.9 53.6 -69.3 -45.4 -34.5 30.1 51.7 172 181 A A H X S+ 0 0 5 -4,-1.9 4,-3.6 2,-0.2 5,-0.3 0.946 107.9 49.3 -53.0 -54.3 -33.9 32.0 48.4 173 182 A S H X S+ 0 0 14 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.899 114.9 46.9 -50.6 -45.9 -37.6 32.3 47.7 174 183 A D H X S+ 0 0 10 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.951 113.1 46.1 -59.0 -58.2 -37.9 33.6 51.3 175 184 A A H X S+ 0 0 0 -4,-3.8 4,-2.1 1,-0.2 3,-0.3 0.909 115.2 49.4 -53.0 -41.4 -35.0 36.1 51.1 176 185 A F H X S+ 0 0 12 -4,-3.6 4,-2.9 -5,-0.3 -1,-0.2 0.891 104.8 56.9 -69.5 -36.2 -36.3 37.2 47.7 177 186 A A H X S+ 0 0 44 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.847 110.7 44.5 -62.1 -31.6 -39.8 37.7 49.2 178 187 A T H X S+ 0 0 0 -4,-1.7 4,-3.2 -3,-0.3 -1,-0.2 0.844 111.8 51.8 -78.0 -44.4 -38.3 40.1 51.8 179 188 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.984 110.2 48.9 -53.3 -58.7 -36.2 41.9 49.3 180 189 A K H X S+ 0 0 87 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.879 113.2 49.6 -51.4 -39.9 -39.3 42.4 47.1 181 190 A D H >X S+ 0 0 27 -4,-1.3 4,-2.5 -5,-0.2 3,-0.9 0.931 106.8 51.9 -67.6 -46.9 -41.1 43.7 50.1 182 191 A L H 3< S+ 0 0 1 -4,-3.2 4,-0.4 1,-0.2 -1,-0.2 0.920 114.4 45.6 -55.8 -39.4 -38.5 46.2 51.2 183 192 A L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.578 125.5 25.5 -83.1 -9.6 -38.5 47.6 47.6 184 193 A T H << S+ 0 0 36 -3,-0.9 3,-0.2 -4,-0.8 -2,-0.2 0.640 101.9 70.6-130.5 -19.8 -42.3 47.8 47.1 185 194 A R S < S+ 0 0 89 -4,-2.5 2,-1.0 1,-0.2 -3,-0.1 0.966 101.9 40.5 -68.3 -53.6 -44.2 48.2 50.4 186 195 A H S > S- 0 0 32 -5,-0.4 4,-2.9 -4,-0.4 -1,-0.2 -0.820 76.6-171.1-103.1 98.0 -43.3 51.7 51.5 187 196 A K H > S+ 0 0 38 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.903 79.6 42.1 -69.9 -49.1 -43.4 53.5 48.3 188 197 A L H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 115.9 53.7 -61.5 -40.2 -42.0 56.9 49.1 189 198 A L H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.954 111.8 42.8 -57.2 -55.8 -39.4 55.1 51.2 190 199 A S H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.890 112.7 53.0 -52.5 -47.9 -38.2 52.8 48.4 191 200 A A H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.954 110.1 48.2 -60.1 -49.2 -38.3 55.6 45.9 192 201 A E H X S+ 0 0 93 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.928 113.4 49.0 -49.5 -51.6 -36.1 57.7 48.2 193 202 A F H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.866 111.3 46.1 -63.8 -42.3 -33.7 54.8 48.6 194 203 A L H X S+ 0 0 0 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.876 113.7 51.4 -66.7 -37.6 -33.4 53.9 44.9 195 204 A E H < S+ 0 0 100 -4,-2.4 3,-0.4 -5,-0.3 -2,-0.2 0.930 115.8 40.1 -61.5 -48.7 -32.8 57.6 44.1 196 205 A Q H < S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.818 127.0 33.0 -70.8 -34.1 -30.1 58.0 46.7 197 206 A H H X S+ 0 0 53 -4,-2.0 4,-2.6 -5,-0.2 3,-0.3 0.181 76.9 129.0-115.5 20.0 -28.4 54.6 46.0 198 207 A Y H X S+ 0 0 19 -4,-0.8 4,-2.9 -3,-0.4 5,-0.5 0.869 71.2 49.3 -38.7 -71.4 -28.9 54.2 42.3 199 208 A D H > S+ 0 0 120 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.856 118.6 37.0 -41.9 -53.5 -25.4 53.4 41.3 200 209 A R H > S+ 0 0 106 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.964 119.1 47.6 -72.1 -48.0 -24.7 50.8 43.9 201 210 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.4 0.948 115.4 43.4 -51.7 -59.0 -28.2 49.2 43.8 202 211 A F H X S+ 0 0 17 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.757 107.8 59.4 -69.7 -24.8 -28.5 49.0 40.0 203 212 A S H X S+ 0 0 62 -4,-1.6 4,-0.9 -5,-0.5 -1,-0.3 0.912 112.8 40.8 -60.2 -43.9 -24.9 47.7 39.7 204 213 A E H X S+ 0 0 45 -4,-1.9 4,-1.0 -3,-0.4 3,-0.4 0.906 112.2 53.3 -72.3 -43.2 -26.0 44.8 41.9 205 214 A Y H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.820 101.0 63.1 -63.7 -31.8 -29.5 44.3 40.3 206 215 A E H >X S+ 0 0 72 -4,-1.7 4,-0.7 -5,-0.2 3,-0.5 0.926 97.1 55.7 -55.4 -46.2 -27.7 44.1 36.9 207 216 A K H >< S+ 0 0 133 -4,-0.9 3,-0.6 -3,-0.4 -1,-0.2 0.848 104.5 54.9 -59.3 -32.4 -25.9 40.9 38.1 208 217 A L H >< S+ 0 0 2 -4,-1.0 3,-1.5 1,-0.2 -1,-0.2 0.863 101.5 55.7 -66.5 -36.2 -29.3 39.3 38.9 209 218 A L H << S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.651 112.8 43.9 -73.3 -13.1 -30.6 39.9 35.4 210 219 A H T << S+ 0 0 110 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.199 92.7 139.3-106.9 8.5 -27.5 38.0 34.2 211 220 A S < - 0 0 9 -3,-1.5 2,-0.7 -5,-0.1 6,-0.1 -0.150 58.8-128.2 -60.7 145.0 -27.9 35.3 36.8 212 221 A E S S+ 0 0 186 4,-0.1 -1,-0.1 -47,-0.0 2,-0.1 -0.889 84.1 79.4 -86.9 115.0 -27.4 31.5 36.4 213 222 A N S > S- 0 0 41 -2,-0.7 4,-2.7 2,-0.0 5,-0.3 0.009 73.9-138.1 133.6 100.6 -30.8 30.4 37.8 214 223 A Y H > S+ 0 0 24 191,-0.8 4,-2.8 1,-0.2 5,-0.1 0.854 105.0 45.2 -48.3 -44.9 -34.0 30.6 35.8 215 224 A V H > S+ 0 0 5 2,-0.2 4,-3.3 3,-0.2 5,-0.5 0.910 110.0 52.5 -73.7 -45.1 -36.0 31.9 38.8 216 225 A T H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.981 117.2 40.3 -51.7 -57.6 -33.4 34.5 39.9 217 226 A K H X S+ 0 0 47 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.931 119.8 45.0 -55.9 -51.0 -33.3 35.9 36.4 218 227 A R H X S+ 0 0 13 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.940 117.0 42.7 -63.4 -51.8 -37.1 35.5 35.8 219 228 A Q H X S+ 0 0 36 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.949 114.5 51.3 -59.1 -51.5 -38.2 37.0 39.2 220 229 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.5 -1,-0.2 0.854 110.7 50.0 -54.4 -37.1 -35.6 39.8 39.0 221 230 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.938 109.5 48.4 -69.6 -49.5 -36.9 40.7 35.6 222 231 A K H X S+ 0 0 45 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 112.7 49.4 -53.7 -46.3 -40.6 40.9 36.5 223 232 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.899 105.2 56.7 -67.6 -39.7 -39.8 43.0 39.5 224 233 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.953 108.9 48.3 -50.8 -48.9 -37.7 45.4 37.5 225 234 A G H X S+ 0 0 14 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.896 111.8 47.7 -61.2 -44.2 -40.7 46.0 35.3 226 235 A E H X S+ 0 0 79 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.857 113.1 50.1 -64.8 -36.8 -43.0 46.5 38.2 227 236 A L H < S+ 0 0 7 -4,-2.9 6,-0.3 2,-0.2 3,-0.2 0.916 110.6 47.9 -65.6 -46.8 -40.5 48.9 39.8 228 237 A L H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 9,-0.2 0.848 113.3 47.2 -69.1 -32.1 -40.0 51.0 36.6 229 238 A L H < S+ 0 0 58 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.678 85.0 102.7 -84.9 -19.1 -43.8 51.3 35.9 230 239 A D S >< S- 0 0 14 -4,-1.1 3,-2.4 -3,-0.2 533,-0.2 -0.553 73.4-139.0 -64.9 116.9 -44.6 52.3 39.5 231 240 A R G > S+ 0 0 35 531,-1.9 3,-1.7 -2,-0.5 4,-0.2 0.728 98.1 68.6 -51.9 -28.6 -45.2 56.1 39.4 232 241 A H G 3 S+ 0 0 62 1,-0.3 3,-0.3 530,-0.2 -1,-0.3 0.819 100.7 49.7 -57.3 -30.9 -43.3 56.6 42.7 233 242 A N G X> S+ 0 0 5 -3,-2.4 4,-2.6 -6,-0.3 3,-1.1 0.124 72.8 128.0 -97.9 22.3 -40.2 55.6 40.8 234 243 A F H <> S+ 0 0 48 -3,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.825 76.4 43.7 -46.8 -48.5 -40.8 58.0 37.9 235 244 A T H 3> S+ 0 0 66 -3,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.705 110.2 55.3 -72.2 -28.1 -37.3 59.5 38.2 236 245 A I H <> S+ 0 0 7 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.894 108.5 50.6 -70.1 -40.6 -35.6 56.1 38.7 237 246 A M H X S+ 0 0 5 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.919 107.3 50.9 -62.1 -46.2 -37.3 55.0 35.4 238 247 A T H < S+ 0 0 58 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.852 112.8 47.0 -69.0 -29.2 -36.1 58.0 33.4 239 248 A K H >< S+ 0 0 88 -4,-1.2 3,-1.3 2,-0.2 4,-0.4 0.958 114.7 47.8 -68.6 -47.2 -32.5 57.4 34.5 240 249 A Y H >< S+ 0 0 7 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.905 111.4 47.4 -62.3 -45.5 -32.8 53.7 33.8 241 250 A I T 3< S+ 0 0 0 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.432 105.0 63.3 -81.3 3.5 -34.3 54.0 30.3 242 251 A S T < S+ 0 0 31 -3,-1.3 -1,-0.3 -5,-0.2 40,-0.2 0.520 82.4 91.7 -98.7 -7.6 -31.7 56.6 29.3 243 252 A K <> - 0 0 94 -3,-1.3 4,-1.3 -4,-0.4 3,-0.2 -0.782 68.4-144.0 -99.8 130.3 -28.6 54.3 29.7 244 253 A P H > S+ 0 0 44 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.821 97.7 55.5 -61.0 -39.1 -27.4 52.4 26.6 245 254 A E H > S+ 0 0 109 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.904 104.3 53.2 -60.6 -43.4 -26.4 49.2 28.5 246 255 A N H > S+ 0 0 18 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 112.9 45.3 -61.8 -35.7 -29.8 48.8 30.1 247 256 A L H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.936 110.6 52.3 -71.4 -48.3 -31.3 48.9 26.6 248 257 A K H X S+ 0 0 59 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.949 111.2 49.2 -49.7 -50.5 -28.7 46.6 25.1 249 258 A L H X S+ 0 0 12 -4,-3.0 4,-2.4 1,-0.2 3,-0.2 0.914 110.8 46.4 -60.6 -51.9 -29.5 44.1 27.9 250 259 A M H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.918 110.1 56.3 -53.1 -45.5 -33.3 44.1 27.5 251 260 A M H < S+ 0 0 0 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.878 109.5 45.7 -57.3 -37.8 -32.8 43.8 23.7 252 261 A N H >< S+ 0 0 59 -4,-1.9 3,-2.3 -3,-0.2 -1,-0.2 0.896 105.4 58.4 -72.2 -40.8 -30.8 40.6 24.3 253 262 A L H >< S+ 0 0 10 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.731 92.0 72.0 -62.7 -19.0 -33.2 39.1 26.8 254 263 A L T 3< S+ 0 0 1 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.748 99.9 46.6 -64.2 -22.4 -35.8 39.4 24.0 255 264 A R T < S+ 0 0 107 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.132 86.7 135.2-107.0 17.3 -33.9 36.5 22.4 256 265 A D < - 0 0 38 -3,-1.6 6,-0.1 2,-0.2 -3,-0.0 -0.291 68.2-118.6 -62.4 147.5 -33.7 34.4 25.5 257 266 A K S S+ 0 0 209 1,-0.1 2,-0.7 4,-0.1 -1,-0.1 0.795 96.8 83.4 -49.2 -34.1 -34.4 30.7 25.4 258 267 A S > - 0 0 5 1,-0.1 4,-2.8 -5,-0.1 5,-0.3 -0.707 66.5-157.2 -87.9 112.8 -37.3 31.4 27.9 259 268 A R H > S+ 0 0 78 -2,-0.7 4,-1.3 1,-0.2 -1,-0.1 0.768 97.6 47.4 -50.4 -33.9 -40.6 32.5 26.4 260 269 A N H > S+ 0 0 27 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.903 108.9 51.8 -79.5 -43.4 -41.6 34.1 29.7 261 270 A I H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.950 111.5 48.4 -54.7 -47.3 -38.2 35.8 30.2 262 271 A Q H X S+ 0 0 34 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.895 107.5 56.1 -62.8 -36.9 -38.5 37.3 26.8 263 272 A F H X S+ 0 0 36 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.870 110.9 42.7 -62.3 -40.2 -42.1 38.4 27.5 264 273 A E H X S+ 0 0 34 -4,-2.2 4,-1.6 2,-0.2 5,-0.2 0.908 112.2 54.1 -72.7 -40.0 -41.0 40.4 30.6 265 274 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.894 105.6 55.8 -55.0 -40.3 -38.0 41.8 28.7 266 275 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 104.0 52.4 -57.5 -43.8 -40.5 42.9 26.1 267 276 A H H < S+ 0 0 34 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.772 112.9 43.1 -72.6 -24.4 -42.5 44.9 28.8 268 277 A V H >X S+ 0 0 1 -4,-1.6 4,-1.0 -3,-0.2 3,-0.6 0.845 111.6 57.2 -77.5 -36.5 -39.3 46.7 29.9 269 278 A F H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.8 0.907 97.5 59.7 -61.1 -45.0 -38.3 47.2 26.3 270 279 A K H 3X S+ 0 0 52 -4,-2.4 4,-3.2 1,-0.3 -1,-0.2 0.809 101.6 56.1 -52.3 -34.4 -41.6 49.0 25.3 271 280 A V H <> S+ 0 0 6 -3,-0.6 4,-1.0 -4,-0.4 -1,-0.3 0.821 103.3 52.8 -70.8 -36.2 -40.8 51.7 27.9 272 281 A F H << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.935 117.0 40.6 -59.4 -44.9 -37.4 52.5 26.4 273 282 A V H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.6 51.9 -76.3 -40.8 -39.2 52.9 23.1 274 283 A A H < S+ 0 0 32 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.706 81.2 116.9 -72.2 -18.5 -42.4 54.8 24.2 275 284 A N < - 0 0 11 -4,-1.0 3,-0.4 -5,-0.2 -3,-0.0 -0.278 54.3-159.3 -48.3 121.0 -40.1 57.3 26.0 276 285 A P S S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.497 85.1 56.0 -86.2 -1.7 -40.7 60.7 24.3 277 286 A N S S+ 0 0 134 2,-0.0 2,-0.1 -39,-0.0 -2,-0.1 -0.469 75.4 171.3-126.1 59.9 -37.4 62.1 25.5 278 287 A K - 0 0 47 -3,-0.4 2,-0.2 -5,-0.1 -36,-0.1 -0.427 28.7-128.6 -75.2 141.5 -34.9 59.6 24.2 279 288 A T > - 0 0 52 -2,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.558 26.2-108.2 -87.2 158.1 -31.2 60.4 24.5 280 289 A Q H > S+ 0 0 87 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.908 117.9 54.4 -59.5 -46.8 -29.0 60.1 21.4 281 290 A P H > S+ 0 0 67 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.891 112.0 47.6 -49.6 -40.9 -27.1 56.9 22.5 282 291 A I H > S+ 0 0 0 -3,-0.4 4,-1.9 -40,-0.2 -2,-0.2 0.902 113.2 46.2 -65.0 -43.9 -30.5 55.3 22.9 283 292 A L H X S+ 0 0 27 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.884 106.8 58.0 -70.2 -38.5 -31.8 56.5 19.6 284 293 A D H X S+ 0 0 65 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.841 107.2 49.0 -60.7 -35.3 -28.7 55.4 17.7 285 294 A I H X S+ 0 0 21 -4,-1.2 4,-1.8 -5,-0.3 -2,-0.2 0.978 113.6 44.3 -67.1 -56.1 -29.2 51.9 19.0 286 295 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 7,-0.2 0.845 116.6 49.0 -55.6 -38.0 -32.8 51.7 17.9 287 296 A L H >< S+ 0 0 13 -4,-3.1 3,-1.9 2,-0.2 4,-0.4 0.954 106.9 53.1 -67.8 -49.6 -31.8 53.4 14.6 288 297 A K H 3< S+ 0 0 119 -4,-2.9 3,-0.2 1,-0.3 -2,-0.2 0.864 120.1 36.7 -49.7 -35.8 -29.0 50.9 13.9 289 298 A N T 3X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.3 0.148 80.1 114.2-108.6 16.6 -31.5 48.1 14.4 290 299 A Q H <> S+ 0 0 56 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.931 78.1 50.8 -53.5 -51.6 -34.6 49.6 12.8 291 300 A A H > S+ 0 0 80 -4,-0.4 4,-1.4 -3,-0.2 -1,-0.2 0.936 116.6 39.1 -52.7 -52.4 -34.7 47.1 10.0 292 301 A K H > S+ 0 0 62 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.899 113.3 54.8 -70.0 -41.7 -34.5 44.0 12.3 293 302 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.4 0.931 104.4 54.2 -57.7 -47.8 -36.7 45.4 15.1 294 303 A I H X S+ 0 0 32 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.923 118.1 35.1 -53.9 -47.7 -39.6 46.1 12.6 295 304 A E H < S+ 0 0 142 -4,-1.4 4,-0.4 -5,-0.2 5,-0.2 0.955 116.4 53.2 -70.9 -52.7 -39.5 42.4 11.4 296 305 A F H >X S+ 0 0 27 -4,-3.3 3,-1.9 1,-0.2 4,-1.4 0.916 110.7 45.8 -48.8 -55.8 -38.6 40.8 14.7 297 306 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.9 58.7 -57.5 -36.8 -41.5 42.4 16.7 298 307 A S T 3< S+ 0 0 66 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.2 0.477 117.0 33.4 -72.6 -5.6 -43.9 41.5 13.9 299 308 A K T X4 S+ 0 0 139 -3,-1.9 3,-1.3 -4,-0.4 -2,-0.2 0.447 87.3 129.1-120.4 -11.1 -43.0 37.9 14.4 300 309 A F T 3< S- 0 0 5 -4,-1.4 11,-0.1 1,-0.3 -3,-0.1 -0.261 92.5 -24.4 -57.4 116.9 -42.4 38.0 18.2 301 310 A Q T 3 S+ 0 0 13 -2,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.912 74.2 177.8 40.7 58.3 -44.4 35.3 19.9 302 311 A N < + 0 0 111 -3,-1.3 2,-0.5 6,-0.0 -1,-0.1 0.797 62.2 79.8 -55.9 -31.2 -46.9 35.1 17.0 303 312 A D 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.720 360.0 360.0 -77.4 121.3 -48.6 32.2 18.9 304 313 A R 0 0 161 -2,-0.5 -2,-0.0 4,-0.0 -3,-0.0 -0.933 360.0 360.0-164.1 360.0 -50.8 33.5 21.7 305 ! 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 0.0 306 318 A Q > 0 0 94 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -43.2 -54.2 43.2 23.8 307 319 A F H > + 0 0 22 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.890 360.0 53.9 -60.3 -39.9 -50.5 42.1 23.7 308 320 A N H > S+ 0 0 87 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.747 103.0 57.5 -63.9 -26.7 -50.9 42.2 19.8 309 321 A D H > S+ 0 0 99 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.835 106.7 47.8 -71.2 -35.8 -52.1 45.8 20.2 310 322 A E H X S+ 0 0 52 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.839 107.5 54.4 -75.5 -37.6 -48.8 46.8 22.0 311 323 A K H X S+ 0 0 13 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4,-1.8 2,-0.2 5,-0.3 0.909 111.4 52.0 -64.6 -44.7 -66.0 58.3 55.0 839 246 C Y H X S+ 0 0 10 -4,-2.8 4,-1.9 1,-0.2 6,-0.4 0.964 114.3 44.6 -55.0 -52.0 -68.3 61.2 56.0 840 247 C N H X S+ 0 0 5 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.943 112.7 46.8 -60.5 -54.0 -71.2 59.1 54.9 841 248 C I H < S+ 0 0 2 -4,-3.1 -100,-3.9 1,-0.2 -1,-0.2 0.721 121.2 37.6 -69.4 -20.0 -70.3 55.7 56.4 842 249 C T H < S+ 0 0 20 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.709 131.7 27.2 -94.9 -22.1 -69.5 57.2 59.8 843 250 C T H < S- 0 0 16 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.775 85.4-133.8-114.1 -37.3 -72.2 59.8 59.8 844 251 C G S < S+ 0 0 11 -4,-3.3 2,-0.2 -5,-0.4 -4,-0.2 0.592 78.8 87.6 81.3 14.1 -75.2 58.6 57.7 845 252 C L S S- 0 0 100 -6,-0.4 -1,-0.4 -5,-0.2 -2,-0.2 -0.745 74.2-119.1-133.0 175.6 -75.3 62.1 56.1 846 253 C Y - 0 0 68 -2,-0.2 -34,-0.1 -3,-0.1 -9,-0.1 -0.921 12.5-136.6-119.4 149.9 -73.7 63.9 53.2 847 254 C P S S+ 0 0 13 0, 0.0 19,-0.5 0, 0.0 2,-0.3 0.885 90.5 34.5 -72.6 -32.8 -71.5 66.9 53.4 848 255 C F + 0 0 4 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0.0 -1,-0.1 0, 0.0 -25,-0.0 0.644 30.6-143.1 -48.6 -29.2 -72.3 66.6 62.6 869 276 C G S S+ 0 0 63 1,-0.2 3,-0.1 3,-0.1 7,-0.0 0.285 90.2 81.8 85.2 -15.7 -70.3 67.1 65.8 870 277 C D S S+ 0 0 134 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.113 78.6 92.7 -86.4 13.0 -71.1 63.9 67.6 871 278 C C S S- 0 0 26 -4,-0.1 4,-0.2 1,-0.1 -1,-0.1 0.953 87.6-128.4 -72.2 -56.0 -68.3 63.1 65.2 872 279 C G > - 0 0 27 2,-0.1 4,-2.6 1,-0.1 5,-0.3 0.023 18.5 -91.4 109.5 139.9 -65.3 63.5 67.5 873 280 C P H > S+ 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.908 118.9 51.5 -50.2 -56.0 -62.0 65.5 67.1 874 281 C P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 27,-0.3 0.935 117.6 37.5 -46.9 -59.6 -59.9 62.7 65.5 875 282 C L H > S+ 0 0 8 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.825 113.9 53.0 -65.5 -40.4 -62.4 61.9 62.8 876 283 C S H X S+ 0 0 18 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.866 107.3 53.9 -66.7 -34.5 -63.6 65.4 62.0 877 284 C D H X S+ 0 0 84 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.917 109.2 47.1 -63.7 -45.6 -60.0 66.6 61.5 878 285 C L H X S+ 0 0 0 -4,-1.5 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-38.6 -32.5 -3.4 1028 106 D L H 3< S+ 0 0 0 -4,-2.0 11,-0.3 -5,-0.4 -1,-0.2 0.875 100.8 47.6 -56.2 -37.2 -37.9 -34.1 -0.0 1029 107 D R T << S+ 0 0 65 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.447 81.5 129.4 -90.1 -1.0 -41.6 -35.1 0.2 1030 108 D R < - 0 0 57 -3,-1.2 2,-0.4 -4,-0.3 8,-0.4 -0.287 38.2-171.2 -53.8 135.2 -41.7 -36.5 -3.3 1031 109 D Q + 0 0 72 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.963 18.2 178.8-144.2 119.8 -43.2 -39.9 -3.3 1032 110 D I B > -V 1035 0L 77 3,-1.8 3,-2.7 -2,-0.4 2,-0.1 -0.987 68.5 -44.8-123.2 125.6 -43.5 -42.6 -6.0 1033 111 D G T 3 S- 0 0 41 -2,-0.4 796,-1.1 1,-0.3 0, 0.0 -0.366 122.3 -28.1 49.6-124.4 -45.2 -45.9 -5.1 1034 112 D T T 3 S+ 0 0 49 794,-0.2 -1,-0.3 -2,-0.1 2,-0.3 0.317 122.0 101.1 -94.4 3.9 -43.7 -46.9 -1.8 1035 113 D R B < -V 1032 0L 114 -3,-2.7 -3,-1.8 4,-0.0 0, 0.0 -0.633 56.3-160.1 -99.6 150.8 -40.5 -45.1 -2.6 1036 114 D T >> - 0 0 39 -2,-0.3 4,-1.6 -5,-0.2 3,-1.1 -0.749 14.5-168.6-124.9 82.5 -39.3 -41.7 -1.4 1037 115 D P H 3> S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.704 79.2 51.6 -51.2 -38.5 -36.6 -40.7 -4.1 1038 116 D T H 3> S+ 0 0 0 -11,-0.5 4,-2.6 -8,-0.4 5,-0.2 0.854 107.8 52.4 -71.6 -34.6 -35.0 -37.7 -2.4 1039 117 D V H <> S+ 0 0 8 -3,-1.1 4,-2.3 -11,-0.3 -1,-0.2 0.936 110.8 49.7 -61.5 -46.8 -34.4 -39.6 0.9 1040 118 D E H X S+ 0 0 83 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.883 109.3 52.0 -54.8 -42.1 -32.7 -42.2 -1.3 1041 119 D Y H >< S+ 0 0 29 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.986 111.4 45.1 -60.7 -55.9 -30.7 -39.5 -3.0 1042 120 D I H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 6,-0.2 0.791 102.5 65.8 -57.6 -35.0 -29.4 -38.1 0.3 1043 121 D C H 3< S+ 0 0 45 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.731 105.1 45.8 -60.1 -21.2 -28.7 -41.6 1.6 1044 122 D T T << S+ 0 0 102 -3,-2.1 -1,-0.3 -4,-0.7 -2,-0.2 0.298 121.6 37.9 -99.0 5.2 -26.0 -41.7 -1.1 1045 123 D Q X + 0 0 77 -3,-2.0 3,-2.0 -4,-0.1 4,-0.3 -0.349 67.5 162.5-152.8 59.6 -24.7 -38.3 -0.2 1046 124 D Q T >> + 0 0 81 -3,-0.3 3,-1.6 1,-0.3 4,-1.2 0.656 61.5 80.4 -71.0 -17.7 -24.9 -38.0 3.5 1047 125 D N H 3> S+ 0 0 100 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.728 80.4 71.2 -59.4 -21.3 -22.6 -35.1 3.8 1048 126 D I H <> S+ 0 0 0 -3,-2.0 4,-2.0 -6,-0.2 -1,-0.3 0.896 98.2 48.3 -55.5 -42.0 -25.6 -33.0 2.8 1049 127 D L H <> S+ 0 0 0 -3,-1.6 4,-2.4 -4,-0.3 -2,-0.2 0.921 113.0 46.2 -68.7 -42.3 -27.0 -33.7 6.3 1050 128 D F H X S+ 0 0 40 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.886 110.7 52.6 -70.9 -35.7 -23.7 -32.8 8.0 1051 129 D M H X S+ 0 0 44 -4,-3.0 4,-1.1 2,-0.2 -1,-0.2 0.915 110.2 48.8 -62.1 -41.1 -23.3 -29.7 6.0 1052 130 D L H >< S+ 0 0 0 -4,-2.0 3,-0.6 -5,-0.2 4,-0.4 0.937 111.0 50.6 -64.0 -45.1 -26.8 -28.7 7.1 1053 131 D L H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.914 105.6 54.7 -52.9 -48.5 -26.0 -29.5 10.7 1054 132 D K H >< S+ 0 0 107 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.753 88.5 83.3 -66.2 -20.5 -22.8 -27.3 10.5 1055 133 D G G X< S+ 0 0 2 -4,-1.1 3,-2.1 -3,-0.6 6,-0.3 0.768 71.0 74.9 -49.3 -32.8 -25.1 -24.5 9.4 1056 134 D Y G < S+ 0 0 2 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.1 0.685 92.5 58.0 -57.4 -16.2 -25.9 -23.7 13.0 1057 135 D E G < S+ 0 0 79 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.515 94.8 66.1 -94.0 -9.5 -22.4 -22.2 13.2 1058 136 D S S X> S- 0 0 41 -3,-2.1 3,-1.7 -4,-0.2 4,-1.6 -0.951 70.9-157.2-115.2 110.2 -22.9 -19.6 10.4 1059 137 D P T 34 S+ 0 0 95 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.816 87.6 59.9 -56.5 -36.9 -25.5 -17.0 11.5 1060 138 D E T 34 S+ 0 0 105 1,-0.2 4,-0.1 2,-0.1 -5,-0.0 0.555 121.8 22.2 -74.6 -8.8 -26.4 -15.9 7.9 1061 139 D I T <> S+ 0 0 19 -3,-1.7 4,-2.7 -6,-0.3 5,-0.3 0.412 92.1 100.5-130.4 -5.9 -27.5 -19.5 6.9 1062 140 D A H X S+ 0 0 1 -4,-1.6 4,-3.0 1,-0.2 5,-0.2 0.881 82.9 52.8 -51.8 -43.6 -28.4 -21.2 10.3 1063 141 D L H > S+ 0 0 29 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.913 112.9 41.0 -62.4 -48.7 -32.1 -20.6 9.9 1064 142 D N H > S+ 0 0 14 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.862 114.7 52.4 -70.4 -35.0 -32.4 -22.2 6.4 1065 143 D C H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.945 111.9 48.2 -59.0 -45.9 -30.1 -25.0 7.4 1066 144 D G H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.929 109.0 51.9 -59.2 -47.6 -32.3 -25.5 10.4 1067 145 D I H X S+ 0 0 20 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.934 114.6 43.3 -56.9 -44.2 -35.4 -25.5 8.3 1068 146 D M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.873 112.9 50.3 -71.6 -40.8 -34.0 -28.1 5.9 1069 147 D L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.901 108.3 53.4 -62.3 -41.2 -32.5 -30.4 8.6 1070 148 D R H < S+ 0 0 49 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.897 111.1 46.8 -64.2 -36.0 -35.8 -30.4 10.5 1071 149 D E H >< S+ 0 0 32 -4,-1.4 3,-1.4 -5,-0.2 4,-0.3 0.921 110.7 52.3 -67.7 -46.1 -37.5 -31.5 7.3 1072 150 D C H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 7,-0.3 0.891 103.1 58.2 -52.1 -46.7 -34.9 -34.2 6.6 1073 151 D I T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.518 84.9 77.9 -75.9 -2.4 -35.3 -35.7 10.0 1074 152 D R T < S+ 0 0 84 -3,-1.4 2,-0.6 -4,-0.3 -1,-0.3 0.726 85.6 77.5 -65.8 -23.0 -39.0 -36.3 9.4 1075 153 D H S X> S- 0 0 43 -3,-2.1 4,-2.2 -4,-0.3 3,-1.1 -0.810 82.7-140.9 -97.2 119.6 -37.6 -39.2 7.5 1076 154 D E H 3> S+ 0 0 85 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.855 97.6 51.6 -47.1 -52.6 -36.5 -42.2 9.6 1077 155 D P H 3> S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.827 112.5 47.6 -60.1 -29.5 -33.4 -43.2 7.6 1078 156 D L H <> S+ 0 0 0 -3,-1.1 4,-1.7 -6,-0.3 -2,-0.2 0.901 109.8 51.7 -75.3 -42.3 -32.1 -39.5 7.7 1079 157 D A H X S+ 0 0 1 -4,-2.2 4,-2.8 -7,-0.3 5,-0.3 0.928 108.2 53.8 -54.6 -45.7 -32.7 -39.2 11.4 1080 158 D K H X S+ 0 0 99 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.940 103.8 55.1 -55.0 -49.0 -30.8 -42.4 11.9 1081 159 D I H < S+ 0 0 26 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.893 114.7 40.0 -55.8 -40.2 -27.8 -41.1 10.0 1082 160 D I H >< S+ 0 0 0 -4,-1.7 3,-2.4 2,-0.2 6,-0.4 0.984 114.8 49.3 -72.5 -58.9 -27.6 -38.1 12.3 1083 161 D L H 3< S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.905 112.5 49.9 -43.1 -50.0 -28.4 -39.8 15.6 1084 162 D W T 3< S+ 0 0 86 -4,-3.2 -1,-0.3 -5,-0.3 2,-0.2 0.579 97.9 97.2 -71.9 -4.5 -25.7 -42.4 14.8 1085 163 D S S X S- 0 0 12 -3,-2.4 3,-1.3 -4,-0.3 4,-0.3 -0.574 76.1-130.2 -91.3 148.0 -23.1 -39.8 14.0 1086 164 D E G > S+ 0 0 126 1,-0.2 3,-1.4 -2,-0.2 4,-0.2 0.837 107.2 62.8 -49.4 -41.2 -20.3 -38.2 16.0 1087 165 D Q G > S+ 0 0 75 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.682 79.9 83.1 -73.7 -6.5 -21.5 -34.7 15.1 1088 166 D F G X S+ 0 0 0 -3,-1.3 3,-1.7 -6,-0.4 -1,-0.3 0.847 81.5 65.0 -55.5 -34.8 -24.8 -35.3 16.8 1089 167 D Y G X S+ 0 0 14 -3,-1.4 3,-1.3 -4,-0.3 4,-0.3 0.658 82.2 76.6 -69.6 -12.0 -23.1 -34.3 20.0 1090 168 D D G X> S+ 0 0 39 -3,-2.0 4,-2.7 1,-0.3 3,-1.2 0.736 77.2 75.0 -69.5 -22.6 -22.6 -30.8 18.6 1091 169 D F H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.3 0.817 84.7 66.3 -53.4 -30.8 -26.2 -30.2 19.4 1092 170 D F H <4 S+ 0 0 13 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.821 109.5 35.5 -67.9 -27.8 -25.1 -29.9 23.0 1093 171 D R H X4 S+ 0 0 130 -3,-1.2 3,-1.8 -4,-0.3 -2,-0.2 0.873 112.7 59.9 -83.4 -42.7 -23.2 -26.8 22.1 1094 172 D Y H >< S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.3 12,-0.2 0.792 101.6 53.0 -60.5 -32.5 -25.8 -25.5 19.6 1095 173 D V T 3< S+ 0 0 6 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.584 102.7 59.0 -79.4 -14.8 -28.6 -25.3 22.2 1096 174 D E T < S+ 0 0 80 -3,-1.8 2,-0.4 -5,-0.2 -1,-0.2 -0.189 78.3 136.3 -98.6 34.2 -26.4 -23.2 24.5 1097 175 D M < - 0 0 42 -3,-0.7 6,-0.2 2,-0.2 7,-0.1 -0.691 59.0-135.2 -88.7 134.9 -26.0 -20.5 21.8 1098 176 D S S S+ 0 0 90 -2,-0.4 2,-0.8 237,-0.1 238,-0.3 0.664 89.7 81.6 -68.2 -14.0 -26.4 -16.9 23.0 1099 177 D T S > S- 0 0 60 1,-0.2 4,-2.8 236,-0.1 236,-0.2 -0.848 70.1-159.5 -91.2 115.4 -28.6 -16.1 20.1 1100 178 D F H > S+ 0 0 8 234,-1.8 4,-2.8 -2,-0.8 5,-0.3 0.808 85.0 61.7 -69.8 -32.1 -32.0 -17.4 21.1 1101 179 D D H > S+ 0 0 19 233,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.923 115.8 32.9 -57.4 -45.0 -33.4 -17.6 17.6 1102 180 D I H > S+ 0 0 18 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 116.8 55.3 -81.4 -41.5 -30.7 -20.1 16.6 1103 181 D A H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.915 111.4 45.9 -54.0 -46.8 -30.5 -21.8 20.1 1104 182 D S H X S+ 0 0 13 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.844 111.8 50.9 -65.5 -41.1 -34.3 -22.4 20.0 1105 183 D D H X S+ 0 0 11 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.948 111.6 48.2 -58.7 -50.9 -34.1 -23.7 16.4 1106 184 D A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.854 111.5 49.1 -61.0 -38.2 -31.3 -26.1 17.3 1107 185 D F H X S+ 0 0 12 -4,-2.0 4,-3.4 -5,-0.2 -1,-0.2 0.841 107.7 54.9 -71.6 -31.1 -33.1 -27.4 20.4 1108 186 D A H X S+ 0 0 44 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.941 110.2 45.5 -67.8 -43.2 -36.3 -28.0 18.4 1109 187 D T H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.947 114.9 49.7 -60.7 -48.8 -34.4 -30.2 15.9 1110 188 D F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.930 110.8 47.6 -51.8 -55.8 -32.7 -31.9 18.9 1111 189 D K H X S+ 0 0 95 -4,-3.4 4,-0.6 2,-0.2 -1,-0.2 0.908 113.5 51.3 -51.7 -42.3 -36.1 -32.5 20.7 1112 190 D D H >X S+ 0 0 21 -4,-2.1 4,-2.8 1,-0.2 3,-2.0 0.966 105.7 51.0 -67.8 -55.1 -37.4 -33.9 17.4 1113 191 D L H 3< S+ 0 0 2 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.839 113.8 48.2 -46.4 -38.0 -34.6 -36.3 16.7 1114 192 D L H 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.588 124.0 25.5 -82.6 -9.0 -35.1 -37.7 20.2 1115 193 D T H << S+ 0 0 35 -3,-2.0 -2,-0.2 -4,-0.6 3,-0.2 0.627 102.6 69.3-132.6 -26.0 -38.9 -38.1 20.1 1116 194 D R S < S+ 0 0 77 -4,-2.8 2,-1.2 1,-0.2 -3,-0.1 0.995 100.5 42.5 -68.5 -63.3 -40.3 -38.5 16.6 1117 195 D H S > S- 0 0 29 -5,-0.3 4,-2.5 -4,-0.3 -1,-0.2 -0.712 76.9-171.5 -88.5 98.4 -39.1 -42.0 15.5 1118 196 D K H > S+ 0 0 39 -2,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.856 77.9 46.8 -68.1 -41.4 -39.8 -43.8 18.8 1119 197 D L H > S+ 0 0 89 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 113.8 50.8 -67.3 -34.7 -38.1 -47.1 18.1 1120 198 D L H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.951 108.9 49.2 -66.4 -49.6 -35.1 -45.4 16.7 1121 199 D S H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.775 110.9 50.1 -64.3 -28.6 -34.6 -43.0 19.7 1122 200 D A H X S+ 0 0 11 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.950 110.8 49.2 -71.0 -49.2 -34.9 -45.9 22.2 1123 201 D E H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.941 115.5 46.0 -46.8 -51.7 -32.3 -47.9 20.2 1124 202 D F H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.890 113.0 47.1 -62.5 -43.3 -30.1 -44.8 20.2 1125 203 D L H < S+ 0 0 0 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.849 112.5 50.6 -70.8 -34.7 -30.6 -44.1 23.9 1126 204 D E H >< S+ 0 0 92 -4,-3.1 3,-1.0 2,-0.2 4,-0.2 0.986 117.6 38.7 -58.7 -59.1 -29.9 -47.7 24.9 1127 205 D Q H 3< S+ 0 0 124 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.879 125.4 34.1 -62.8 -45.6 -26.7 -47.8 22.9 1128 206 D H T 3X S+ 0 0 50 -4,-2.6 4,-2.8 -5,-0.2 3,-0.3 0.087 79.7 127.1-103.3 24.5 -25.3 -44.3 23.6 1129 207 D Y H <> + 0 0 18 -3,-1.0 4,-3.0 1,-0.2 5,-0.3 0.896 68.7 48.9 -48.4 -59.3 -26.6 -44.0 27.1 1130 208 D D H > S+ 0 0 118 -3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.837 118.5 36.5 -57.0 -43.7 -23.3 -43.2 28.9 1131 209 D R H > S+ 0 0 108 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.879 115.8 54.1 -78.9 -39.3 -22.2 -40.4 26.5 1132 210 D F H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 3,-0.4 0.958 113.6 41.1 -57.4 -52.2 -25.6 -39.0 25.9 1133 211 D F H X S+ 0 0 16 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.688 107.8 59.9 -77.1 -16.7 -26.4 -38.6 29.6 1134 212 D S H X S+ 0 0 61 -4,-0.9 4,-0.9 -5,-0.3 -1,-0.3 0.814 114.8 38.2 -73.2 -31.0 -23.0 -37.3 30.4 1135 213 D E H X S+ 0 0 46 -4,-1.5 4,-1.4 -3,-0.4 -2,-0.2 0.874 116.1 51.6 -83.7 -42.8 -23.8 -34.5 28.0 1136 214 D Y H >X S+ 0 0 0 -4,-3.4 4,-1.5 1,-0.2 3,-0.6 0.956 103.1 59.3 -56.4 -49.7 -27.5 -34.3 29.0 1137 215 D E H >X S+ 0 0 82 -4,-2.5 3,-0.7 1,-0.2 4,-0.6 0.908 101.0 57.0 -40.0 -51.9 -26.3 -34.0 32.7 1138 216 D K H >< S+ 0 0 141 -4,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.899 102.7 54.3 -49.8 -45.5 -24.4 -30.8 31.6 1139 217 D L H X< S+ 0 0 4 -4,-1.4 3,-1.6 -3,-0.6 -1,-0.2 0.827 98.1 61.1 -63.2 -34.7 -27.7 -29.2 30.3 1140 218 D L H << S+ 0 0 1 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.640 107.4 48.5 -67.0 -11.1 -29.5 -29.7 33.6 1141 219 D H T << S+ 0 0 120 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.211 82.7 136.6-105.9 6.9 -26.8 -27.4 35.1 1142 220 D S < - 0 0 7 -3,-1.6 6,-0.2 1,-0.1 -3,-0.1 -0.299 54.5-142.8 -58.9 137.5 -27.0 -24.6 32.4 1143 221 D E S S+ 0 0 196 4,-0.1 2,-0.7 5,-0.1 -1,-0.1 0.596 80.9 97.1 -74.8 -11.0 -26.9 -21.0 33.6 1144 222 D N > - 0 0 41 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.736 69.1-152.7 -78.3 114.8 -29.4 -20.4 30.8 1145 223 D Y H > S+ 0 0 24 -2,-0.7 4,-2.6 193,-0.6 5,-0.2 0.903 95.5 48.8 -50.2 -48.2 -32.9 -20.4 32.4 1146 224 D V H > S+ 0 0 6 192,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 110.6 50.9 -65.8 -46.0 -34.5 -21.5 29.1 1147 225 D T H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.939 113.6 44.2 -52.6 -52.6 -32.0 -24.3 28.6 1148 226 D K H X S+ 0 0 42 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.971 114.3 48.4 -59.4 -55.9 -32.4 -25.7 32.1 1149 227 D R H X S+ 0 0 14 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.895 117.0 42.9 -50.6 -45.5 -36.2 -25.5 32.1 1150 228 D Q H X S+ 0 0 43 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.856 110.6 51.6 -78.1 -39.5 -36.4 -27.2 28.6 1151 229 D S H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.806 113.2 49.1 -62.0 -30.3 -33.9 -30.0 29.1 1152 230 D L H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.946 110.2 47.9 -77.9 -49.5 -35.7 -30.9 32.3 1153 231 D K H X S+ 0 0 57 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.927 114.1 49.6 -52.1 -45.2 -39.2 -30.9 30.6 1154 232 D L H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.918 106.1 54.6 -67.2 -40.0 -37.7 -33.0 27.9 1155 233 D L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.891 107.5 51.2 -56.8 -40.5 -36.0 -35.5 30.3 1156 234 D G H X S+ 0 0 11 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.904 110.5 48.2 -65.0 -43.0 -39.4 -36.2 32.0 1157 235 D E H X S+ 0 0 79 -4,-1.8 4,-0.6 -5,-0.2 3,-0.3 0.894 112.2 49.5 -65.0 -42.1 -41.1 -36.8 28.7 1158 236 D L H >< S+ 0 0 4 -4,-2.5 3,-0.8 1,-0.2 6,-0.2 0.894 110.4 50.7 -58.7 -46.0 -38.3 -39.2 27.6 1159 237 D L H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.710 110.8 47.6 -71.2 -23.2 -38.4 -41.1 30.8 1160 238 D L H 3< S+ 0 0 52 -4,-1.1 2,-0.4 -3,-0.3 -1,-0.2 0.460 83.1 104.8-102.9 -3.9 -42.1 -41.7 30.7 1161 239 D D S X< S- 0 0 12 -3,-0.8 3,-1.5 -4,-0.6 7,-0.2 -0.667 71.4-138.4 -75.1 129.6 -42.3 -42.9 27.1 1162 240 D R G > S+ 0 0 40 532,-2.2 3,-2.3 -2,-0.4 4,-0.2 0.871 100.1 65.2 -62.9 -36.0 -42.8 -46.6 27.3 1163 241 D H G 3 S+ 0 0 64 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.778 101.8 52.6 -50.6 -30.0 -40.3 -47.2 24.4 1164 242 D N G <> S+ 0 0 6 -3,-1.5 4,-2.7 -6,-0.2 3,-0.4 0.192 71.4 123.7 -94.1 16.9 -37.7 -45.9 26.8 1165 243 D F H <> S+ 0 0 63 -3,-2.3 4,-2.4 1,-0.2 5,-0.2 0.876 75.5 45.9 -42.0 -58.8 -38.6 -48.2 29.7 1166 244 D T H > S+ 0 0 69 -3,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.845 112.0 51.8 -58.1 -42.0 -35.0 -49.7 30.0 1167 245 D I H > S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 -1,-0.3 0.905 109.3 51.1 -58.5 -46.4 -33.4 -46.2 29.8 1168 246 D M H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.980 106.0 52.5 -56.9 -55.6 -35.7 -45.0 32.6 1169 247 D T H < S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.797 113.9 45.7 -57.9 -26.2 -34.9 -47.9 35.0 1170 248 D K H >< S+ 0 0 73 -4,-1.3 3,-1.6 -5,-0.2 -1,-0.2 0.938 111.6 49.9 -77.6 -48.2 -31.2 -47.0 34.5 1171 249 D Y H >< S+ 0 0 7 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.887 110.7 50.0 -55.4 -42.2 -31.6 -43.3 34.9 1172 250 D I T 3< S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.2 38,-0.2 0.383 101.0 65.3 -83.8 5.2 -33.6 -43.6 38.1 1173 251 D S T < S+ 0 0 27 -3,-1.6 -1,-0.2 -5,-0.2 40,-0.2 0.360 79.6 90.4-106.0 2.5 -31.1 -46.0 39.7 1174 252 D K X> - 0 0 87 -3,-1.1 3,-1.8 -4,-0.2 4,-1.3 -0.897 67.3-146.7-111.3 111.2 -28.2 -43.6 39.9 1175 253 D P H 3> S+ 0 0 39 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.742 97.3 60.5 -36.0 -45.5 -27.9 -41.5 43.2 1176 254 D E H 3> S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.865 103.8 49.6 -59.6 -40.2 -26.5 -38.5 41.4 1177 255 D N H <> S+ 0 0 14 -3,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.895 112.9 47.9 -63.6 -40.7 -29.6 -38.2 39.3 1178 256 D L H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.953 111.2 49.7 -65.6 -47.5 -31.7 -38.4 42.4 1179 257 D K H X S+ 0 0 68 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.922 112.0 49.8 -54.1 -45.7 -29.6 -35.8 44.2 1180 258 D L H X S+ 0 0 19 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.956 111.9 45.6 -63.4 -51.4 -29.9 -33.6 41.2 1181 259 D M H X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.940 113.9 50.4 -55.2 -46.8 -33.7 -33.9 41.0 1182 260 D M H < S+ 0 0 0 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.869 111.1 49.0 -60.1 -36.7 -34.0 -33.4 44.7 1183 261 D N H >< S+ 0 0 84 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.2 0.860 104.8 57.0 -73.7 -33.3 -31.8 -30.3 44.5 1184 262 D L H >< S+ 0 0 9 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.746 91.4 72.9 -69.9 -20.8 -33.9 -28.8 41.6 1185 263 D L T 3< S+ 0 0 1 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.807 100.6 45.7 -57.0 -28.9 -37.0 -29.0 43.9 1186 264 D R T < S+ 0 0 93 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.308 88.0 136.3 -99.7 8.0 -35.4 -26.1 45.8 1187 265 D D < - 0 0 38 -3,-1.4 6,-0.1 2,-0.1 -3,-0.1 -0.082 68.9-110.1 -60.7 153.5 -34.5 -23.9 42.8 1188 266 D K S S+ 0 0 208 4,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.844 98.6 73.6 -40.0 -44.0 -35.0 -20.2 42.4 1189 267 D S > - 0 0 9 1,-0.1 4,-2.3 -44,-0.0 5,-0.2 -0.666 66.5-152.3 -98.6 128.0 -37.7 -20.8 39.8 1190 268 D R H > S+ 0 0 100 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.827 101.0 52.3 -57.8 -33.9 -41.2 -22.1 40.4 1191 269 D N H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 108.1 46.8 -76.9 -40.2 -41.2 -23.6 36.9 1192 270 D I H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.968 111.6 51.9 -63.0 -48.6 -37.9 -25.5 37.1 1193 271 D Q H X S+ 0 0 32 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.900 107.3 52.7 -59.2 -42.9 -38.9 -27.0 40.5 1194 272 D F H X S+ 0 0 37 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.913 110.3 48.7 -52.7 -47.1 -42.3 -28.2 39.0 1195 273 D E H >X S+ 0 0 15 -4,-1.9 4,-0.9 2,-0.2 3,-0.6 0.947 110.9 49.1 -60.9 -49.0 -40.3 -29.9 36.2 1196 274 D A H >X S+ 0 0 0 -4,-2.7 4,-3.7 1,-0.3 3,-1.1 0.922 105.3 59.2 -56.4 -43.3 -37.9 -31.6 38.6 1197 275 D F H 3X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.3 0.884 103.7 53.1 -47.9 -40.1 -41.0 -32.7 40.6 1198 276 D H H << S+ 0 0 32 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.662 114.6 38.6 -79.1 -16.2 -42.1 -34.5 37.4 1199 277 D V H XX S+ 0 0 0 -3,-1.1 3,-1.6 -4,-0.9 4,-1.2 0.831 112.7 57.8 -89.3 -46.2 -38.8 -36.4 37.1 1200 278 D F H 3X S+ 0 0 0 -4,-3.7 4,-1.7 1,-0.3 3,-0.3 0.857 97.1 62.0 -49.4 -43.6 -38.6 -36.9 40.9 1201 279 D K H 3X S+ 0 0 56 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.3 0.821 98.9 57.3 -53.1 -32.8 -42.0 -38.7 40.9 1202 280 D V H <> S+ 0 0 5 -3,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.928 103.4 51.9 -68.9 -44.9 -40.5 -41.4 38.7 1203 281 D F H < S+ 0 0 0 -4,-1.2 3,-0.4 -3,-0.3 -1,-0.2 0.925 114.8 43.0 -51.8 -48.2 -37.7 -42.2 41.1 1204 282 D V H < S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.892 107.4 56.0 -71.7 -43.3 -40.2 -42.6 44.0 1205 283 D A H < S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.667 80.5 118.3 -66.5 -15.7 -42.9 -44.6 42.2 1206 284 D N >< - 0 0 11 -4,-0.9 3,-0.5 -3,-0.4 -3,-0.0 -0.311 50.8-163.2 -54.3 121.1 -40.3 -47.2 41.3 1207 285 D P T 3 S+ 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.793 86.9 50.8 -71.5 -27.2 -41.1 -50.6 42.9 1208 286 D N T 3 S+ 0 0 133 -3,-0.0 -2,-0.1 2,-0.0 -3,-0.0 -0.380 74.8 168.5-114.7 54.8 -37.5 -51.8 42.4 1209 287 D K < - 0 0 33 -3,-0.5 2,-0.2 -2,-0.3 -36,-0.1 -0.347 33.3-123.2 -63.2 140.9 -35.3 -49.1 43.8 1210 288 D T > - 0 0 55 -38,-0.2 4,-2.9 1,-0.1 3,-0.3 -0.504 32.7 -99.4 -79.4 160.5 -31.6 -49.9 44.3 1211 289 D Q H > S+ 0 0 92 1,-0.2 4,-3.3 2,-0.2 5,-0.1 0.831 117.7 45.3 -54.8 -47.8 -30.1 -49.6 47.7 1212 290 D P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.872 114.9 48.7 -69.2 -35.2 -28.4 -46.1 47.5 1213 291 D I H > S+ 0 0 1 -3,-0.3 4,-1.9 -40,-0.2 -2,-0.2 0.963 114.0 47.4 -60.9 -51.7 -31.5 -44.6 45.8 1214 292 D L H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 -3,-0.2 0.951 110.6 54.1 -50.5 -52.7 -33.6 -46.1 48.6 1215 293 D D H X S+ 0 0 83 -4,-3.3 4,-3.5 1,-0.2 5,-0.2 0.846 104.6 51.1 -53.2 -47.9 -31.1 -44.8 51.2 1216 294 D I H X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.935 111.8 48.2 -57.4 -46.6 -31.3 -41.2 50.1 1217 295 D L H < S+ 0 0 0 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.901 113.5 48.1 -62.7 -41.7 -35.0 -41.2 50.3 1218 296 D L H >< S+ 0 0 28 -4,-2.4 3,-1.6 2,-0.2 4,-0.3 0.960 108.9 51.9 -62.0 -51.3 -34.9 -42.9 53.7 1219 297 D K H 3< S+ 0 0 131 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 121.6 34.5 -52.6 -31.7 -32.3 -40.4 55.1 1220 298 D N T 3X S+ 0 0 0 -4,-1.7 4,-3.5 -5,-0.2 5,-0.3 0.293 83.3 117.7-109.5 8.6 -34.6 -37.6 53.9 1221 299 D Q H <> S+ 0 0 53 -3,-1.6 4,-2.5 -4,-0.4 5,-0.2 0.877 80.8 38.7 -45.8 -59.5 -38.0 -39.3 54.6 1222 300 D A H > S+ 0 0 78 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.929 118.0 50.2 -60.3 -45.6 -39.4 -36.8 57.2 1223 301 D K H > S+ 0 0 62 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.894 110.9 50.0 -59.1 -41.0 -37.9 -33.8 55.3 1224 302 D L H X S+ 0 0 0 -4,-3.5 4,-3.1 2,-0.2 5,-0.3 0.925 109.3 50.9 -65.0 -44.2 -39.5 -35.0 52.1 1225 303 D I H X S+ 0 0 31 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.918 114.4 43.7 -60.3 -43.9 -42.8 -35.4 53.8 1226 304 D E H X S+ 0 0 133 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.952 117.2 47.1 -66.0 -45.6 -42.6 -31.9 55.2 1227 305 D F H >X S+ 0 0 37 -4,-3.3 4,-1.6 1,-0.2 3,-1.1 0.971 112.4 45.6 -59.1 -60.6 -41.4 -30.5 51.8 1228 306 D L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.6 57.6 -53.2 -37.9 -43.9 -32.2 49.5 1229 307 D S H 3< S+ 0 0 50 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.810 116.0 33.8 -64.9 -34.4 -46.8 -31.2 51.8 1230 308 D K H X< S+ 0 0 131 -4,-1.3 3,-1.5 -3,-1.1 -1,-0.2 0.612 89.3 133.6 -91.5 -13.3 -45.9 -27.5 51.6 1231 309 D F T 3< S- 0 0 6 -4,-1.6 14,-0.1 1,-0.3 -3,-0.1 -0.145 88.5 -32.7 -55.3 106.4 -44.8 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-66.0 13.3 1793 ! 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 1794 273 F A 0 0 119 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.7 -63.6 -63.5 6.1 1795 274 F I - 0 0 81 1,-0.1 5,-0.0 5,-0.0 -24,-0.0 -0.295 360.0-159.5 -55.4 145.4 -61.9 -60.8 3.7 1796 275 F P 0 0 79 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.904 360.0 360.0 -86.5 -63.3 -64.0 -59.5 0.7 1797 276 F G 0 0 97 2,-0.0 3,-0.1 3,-0.0 -2,-0.0 0.136 360.0 360.0-175.2 360.0 -61.3 -58.1 -1.6 1798 ! 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 1799 282 F L > 0 0 63 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.6 -54.5 -53.8 1.6 1800 283 F S H > + 0 0 57 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 360.0 47.7 -60.1 -49.9 -55.9 -57.3 1.9 1801 284 F D H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.8 50.9 -54.4 -46.6 -52.5 -58.5 3.3 1802 285 F L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 109.6 51.1 -60.6 -38.1 -52.5 -55.5 5.7 1803 286 F L H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.880 107.3 50.9 -69.8 -39.7 -56.1 -56.4 6.8 1804 287 F K H < S+ 0 0 108 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.931 110.4 52.0 -60.2 -44.7 -55.3 -60.1 7.6 1805 288 F G H >< S+ 0 0 6 -4,-2.0 10,-1.6 1,-0.2 3,-0.9 0.889 112.6 42.0 -59.0 -46.5 -52.3 -58.9 9.7 1806 289 F M H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -39,-0.2 0.855 118.3 48.4 -67.3 -35.8 -54.3 -56.5 11.8 1807 290 F L T 3< S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 -0.064 79.6 143.6-101.4 29.8 -57.1 -59.0 12.1 1808 291 F E < - 0 0 60 -3,-0.9 6,-0.1 1,-0.1 -3,-0.1 -0.412 49.2-142.9 -62.4 142.8 -55.0 -62.0 13.1 1809 292 F Y S S+ 0 0 126 -2,-0.1 -1,-0.1 -63,-0.1 -17,-0.1 0.844 90.0 68.3 -74.2 -39.4 -56.6 -64.4 15.6 1810 293 F E S > S- 0 0 89 1,-0.1 4,-1.4 -63,-0.0 -2,-0.1 -0.753 73.6-154.1 -81.7 123.4 -53.2 -65.0 17.2 1811 294 F P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.743 94.0 58.8 -68.2 -24.5 -52.0 -61.8 19.0 1812 295 F A T 4 S+ 0 0 83 1,-0.2 -2,-0.0 -3,-0.0 -4,-0.0 0.915 111.0 38.5 -69.8 -45.4 -48.4 -63.0 18.5 1813 296 F K T 4 S+ 0 0 136 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.703 96.4 107.7 -78.0 -21.6 -48.7 -63.1 14.7 1814 297 F R S < S- 0 0 0 -4,-1.4 -8,-0.2 1,-0.1 -9,-0.1 -0.266 82.9 -92.9 -58.9 140.8 -50.8 -60.0 14.6 1815 298 F F - 0 0 29 -10,-1.6 2,-0.2 -13,-0.1 -1,-0.1 -0.232 31.1-142.5 -59.5 138.6 -49.1 -56.8 13.3 1816 299 F S > - 0 0 41 -3,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.578 36.4 -99.8 -85.4 162.2 -47.3 -54.4 15.7 1817 300 F I H > S+ 0 0 22 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.847 125.5 57.4 -54.5 -34.9 -47.6 -50.7 14.9 1818 301 F R H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.941 105.2 49.9 -56.2 -48.5 -44.1 -50.9 13.3 1819 302 F Q H > S+ 0 0 90 -3,-0.3 4,-0.9 1,-0.2 -2,-0.2 0.827 109.2 52.0 -66.1 -32.4 -45.3 -53.6 10.9 1820 303 F I H >< S+ 0 0 0 -4,-1.7 3,-0.6 2,-0.2 6,-0.3 0.935 109.3 49.6 -63.5 -49.0 -48.3 -51.4 9.9 1821 304 F R H 3< S+ 0 0 63 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.838 114.2 45.0 -58.6 -34.9 -46.1 -48.4 9.2 1822 305 F Q H 3< S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.594 86.2 109.5 -90.6 -13.0 -43.7 -50.5 7.0 1823 306 F H S XX S- 0 0 23 -4,-0.9 4,-1.9 -3,-0.6 3,-1.1 -0.431 76.9-123.0 -66.4 136.5 -46.4 -52.3 5.1 1824 307 F S H 3> S+ 0 0 63 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.754 108.2 58.4 -57.4 -30.9 -46.7 -51.2 1.4 1825 308 F W H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.878 111.6 42.8 -64.7 -38.4 -50.4 -50.1 1.6 1826 309 F F H <4 S+ 0 0 25 -3,-1.1 -2,-0.2 -6,-0.3 -1,-0.2 0.882 117.4 45.7 -70.0 -43.5 -49.5 -47.7 4.4 1827 310 F R H < S+ 0 0 105 -4,-1.9 -2,-0.2 -7,-0.1 -3,-0.2 0.806 93.7 96.1 -74.5 -31.4 -46.3 -46.5 2.7 1828 311 F K S < S- 0 0 94 -4,-2.5 2,-0.8 -5,-0.2 -794,-0.2 -0.262 71.8-135.5 -61.3 139.6 -47.9 -46.0 -0.8 1829 312 F K - 0 0 127 -796,-1.1 -796,-0.3 -150,-0.0 -1,-0.1 -0.896 25.0-147.0 -93.3 107.2 -49.2 -42.6 -1.8 1830 313 F H - 0 0 20 -2,-0.8 -5,-0.0 -5,-0.1 -151,-0.0 -0.557 20.9-108.3 -75.2 134.4 -52.5 -43.4 -3.4 1831 314 F P 0 0 107 0, 0.0 -155,-0.2 0, 0.0 -1,-0.1 -0.464 360.0 360.0 -61.2 128.0 -53.6 -41.1 -6.3 1832 315 F P 0 0 111 0, 0.0 -156,-0.1 0, 0.0 -155,-0.1 0.936 360.0 360.0 -88.0 360.0 -56.4 -38.8 -5.1 1833 ! 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 1834 317 F E 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 -61.8 -38.5 -7.3 1835 318 F A - 0 0 88 1,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.597 360.0-155.6 -78.1 117.2 -64.4 -36.8 -5.1 1836 319 F P - 0 0 74 0, 0.0 -163,-0.1 0, 0.0 -1,-0.0 -0.404 38.3 -77.4 -86.5 166.6 -64.2 -37.8 -1.4 1837 320 F V - 0 0 16 1,-0.1 -172,-0.1 -2,-0.1 -173,-0.1 -0.532 46.5-154.4 -64.8 113.9 -67.0 -37.7 1.2 1838 321 F P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -174,-0.0 0.523 41.6 -90.3 -76.5 -7.6 -67.2 -33.9 1.9 1839 322 F I - 0 0 25 -175,-0.1 -175,-0.1 -176,-0.0 -180,-0.0 0.275 57.7 -76.1 91.5 131.7 -68.6 -33.9 5.5 1840 323 F P 0 0 44 0, 0.0 -176,-0.0 0, 0.0 -172,-0.0 -0.336 360.0 360.0 -74.2 141.1 -72.4 -33.8 5.8 1841 324 F P 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.485 360.0 360.0 -20.5 360.0 -74.4 -30.5 5.3 1842 ! 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 1843 336 F T 0 0 73 0, 0.0 -261,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 11.0 -75.3 -22.1 15.5 1844 337 F V + 0 0 28 -263,-0.1 3,-0.2 2,-0.1 -357,-0.1 0.592 360.0 93.7-125.9 -19.7 -74.8 -18.9 17.6 1845 338 F V S S+ 0 0 81 1,-0.2 -1,-0.0 -359,-0.0 -358,-0.0 0.879 83.7 52.1 -53.2 -54.3 -76.8 -16.0 16.0 1846 339 F P 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.908 360.0 360.0 -49.8 -46.4 -80.1 -16.2 18.0 1847 340 F Y 0 0 119 -3,-0.2 -3,-0.1 -4,-0.1 -266,-0.1 0.389 360.0 360.0 -72.7 360.0 -78.2 -16.2 21.3