==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-OCT-03 1UPK . COMPND 2 MOLECULE: MO25 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.C.MILBURN,J.BOUDEAU,M.DEAK,D.R.ALESSI,D.M.F.VAN AALTEN . 322 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 79.8 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 . 2 0.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 60.6 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+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 3 1 2 3 1 1 0 2 1 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 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 . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 10 A K 0 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.6 6.3 7.1 5.5 2 11 A S > - 0 0 44 1,-0.0 4,-2.6 50,-0.0 5,-0.2 -0.205 360.0 -88.9 -86.0-179.6 8.0 6.6 2.1 3 12 A P H > S+ 0 0 7 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.954 128.4 50.4 -56.5 -51.1 11.4 5.0 1.3 4 13 A A H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.890 112.0 48.5 -54.2 -41.0 13.2 8.3 1.6 5 14 A D H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.922 110.7 48.8 -66.9 -45.7 11.5 8.9 5.0 6 15 A I H X S+ 0 0 13 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.910 113.0 49.1 -60.0 -42.6 12.3 5.5 6.4 7 16 A V H X S+ 0 0 3 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.926 111.8 48.5 -64.2 -44.0 16.0 6.0 5.2 8 17 A K H X S+ 0 0 112 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.932 113.8 46.4 -61.2 -44.9 16.1 9.4 6.9 9 18 A N H X S+ 0 0 50 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.891 112.4 49.3 -66.5 -39.9 14.6 8.1 10.1 10 19 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.912 109.6 51.9 -67.6 -38.5 16.9 5.1 10.2 11 20 A K H X S+ 0 0 71 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.907 111.3 48.3 -63.6 -38.1 20.0 7.3 9.6 12 21 A E H X S+ 0 0 97 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.919 112.0 47.1 -68.4 -43.4 18.9 9.6 12.5 13 22 A S H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.878 109.3 54.8 -66.5 -37.0 18.3 6.8 15.0 14 23 A X H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.906 104.6 55.6 -62.3 -38.6 21.6 5.2 14.0 15 24 A A H X S+ 0 0 46 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.897 106.0 50.2 -61.7 -39.6 23.2 8.6 14.8 16 25 A V H >< S+ 0 0 53 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.950 106.4 55.0 -63.2 -46.4 21.8 8.5 18.4 17 26 A L H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 105.2 54.1 -56.9 -31.2 23.1 4.9 18.9 18 27 A E H 3< 0 0 106 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.805 360.0 360.0 -73.4 -29.3 26.6 6.1 18.1 19 28 A K << 0 0 208 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.1 0.994 360.0 360.0 -60.4 360.0 26.4 8.9 20.7 20 ! 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 21 32 A S > 0 0 118 0, 0.0 2,-1.1 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0-151.5 21.9 6.6 27.4 22 33 A D T 3> + 0 0 128 1,-0.3 4,-4.6 2,-0.1 5,-0.4 -0.511 360.0 37.8 67.7 -95.5 19.1 4.3 28.6 23 34 A K H 3> S+ 0 0 177 -2,-1.1 4,-1.9 1,-0.2 -1,-0.3 0.961 130.4 33.6 -46.4 -63.4 15.9 6.4 28.0 24 35 A K H <> S+ 0 0 150 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.850 122.0 49.4 -61.9 -39.2 17.3 7.9 24.8 25 36 A A H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.905 108.4 51.9 -69.3 -43.5 19.2 4.7 23.9 26 37 A E H X S+ 0 0 103 -4,-4.6 4,-2.1 1,-0.2 -2,-0.2 0.891 112.4 47.1 -60.9 -39.0 16.2 2.4 24.5 27 38 A K H X S+ 0 0 86 -4,-1.9 4,-3.0 -5,-0.4 -2,-0.2 0.933 112.2 48.3 -68.1 -47.1 14.1 4.6 22.2 28 39 A A H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.884 111.8 50.6 -63.0 -36.1 16.7 4.7 19.5 29 40 A T H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.925 112.8 45.7 -68.2 -42.3 17.1 0.9 19.7 30 41 A E H X S+ 0 0 81 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.903 114.0 49.2 -65.2 -40.9 13.4 0.5 19.4 31 42 A E H X S+ 0 0 70 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.888 110.5 50.7 -66.8 -38.1 13.2 3.0 16.5 32 43 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.968 111.2 48.8 -62.3 -49.8 16.1 1.2 14.7 33 44 A S H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.915 113.1 47.0 -56.8 -44.8 14.3 -2.1 15.1 34 45 A K H X S+ 0 0 110 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.886 112.2 48.9 -66.1 -40.1 11.1 -0.7 13.8 35 46 A N H X S+ 0 0 16 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.841 109.5 52.4 -67.9 -36.9 12.7 1.1 10.8 36 47 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.918 110.1 48.6 -66.1 -40.7 14.6 -2.0 9.8 37 48 A V H X S+ 0 0 58 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.930 111.0 51.6 -63.9 -39.3 11.3 -4.0 9.9 38 49 A A H X S+ 0 0 23 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.845 106.8 53.0 -64.6 -36.6 9.7 -1.2 7.7 39 50 A X H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-0.6 0.913 106.5 53.3 -67.0 -39.1 12.5 -1.4 5.2 40 51 A K H 3X S+ 0 0 52 -4,-1.9 4,-1.7 1,-0.2 3,-0.3 0.915 102.9 57.7 -61.7 -39.8 11.9 -5.2 4.9 41 52 A E H 3< S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 102.0 55.2 -62.2 -27.6 8.3 -4.6 4.2 42 53 A I H << S+ 0 0 30 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.890 107.3 50.9 -69.9 -39.0 9.3 -2.4 1.2 43 54 A L H < 0 0 20 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.841 360.0 360.0 -67.0 -34.9 11.3 -5.3 -0.2 44 55 A Y < 0 0 160 -4,-1.7 -1,-0.2 0, 0.0 -2,-0.2 0.370 360.0 360.0-116.5 360.0 8.6 -7.9 0.0 45 ! 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 46 63 A Q > 0 0 187 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 110.9 6.0 -1.3 -5.5 47 64 A T H > + 0 0 124 1,-0.3 4,-1.6 2,-0.2 5,-0.0 0.833 360.0 46.2 -61.2 -32.0 8.9 -2.0 -7.9 48 65 A E H > S+ 0 0 155 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.724 103.4 61.8 -82.9 -21.8 9.7 1.7 -7.8 49 66 A A H > S+ 0 0 3 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.941 108.6 44.0 -65.8 -44.9 9.5 1.8 -4.0 50 67 A V H X S+ 0 0 28 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.923 113.6 50.7 -62.0 -45.1 12.3 -0.8 -4.0 51 68 A A H X S+ 0 0 27 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.914 111.8 48.3 -58.2 -44.1 14.1 1.3 -6.6 52 69 A Q H X S+ 0 0 77 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.909 109.5 51.7 -63.7 -44.9 13.6 4.4 -4.5 53 70 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.954 110.1 49.6 -58.5 -50.2 14.9 2.6 -1.3 54 71 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.934 110.9 48.3 -55.8 -48.3 18.0 1.5 -3.1 55 72 A Q H X S+ 0 0 99 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.921 113.9 47.2 -58.7 -46.1 18.8 5.0 -4.5 56 73 A E H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 6,-0.4 0.873 108.9 55.7 -63.2 -38.4 18.3 6.5 -1.0 57 74 A L H X S+ 0 0 0 -4,-2.8 6,-1.2 -5,-0.2 4,-0.8 0.906 113.0 40.4 -62.1 -39.6 20.5 3.8 0.5 58 75 A Y H >< S+ 0 0 30 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.977 117.9 46.6 -72.3 -52.0 23.4 4.7 -1.8 59 76 A N H 3< S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.806 113.1 45.7 -58.2 -41.1 23.0 8.4 -1.6 60 77 A S H 3< S- 0 0 39 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.671 101.5-125.2 -80.4 -20.0 22.6 8.8 2.1 61 78 A G S + 0 0 0 -6,-0.4 4,-3.0 -5,-0.2 5,-0.2 0.872 65.2 57.8 -61.1 -39.2 23.0 4.5 5.2 63 80 A L H > S+ 0 0 3 -6,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.957 110.8 44.2 -54.9 -47.1 24.0 1.2 3.7 64 81 A S H > S+ 0 0 24 -7,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.918 112.7 52.0 -63.6 -42.9 27.6 1.9 4.8 65 82 A T H X S+ 0 0 22 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.887 104.5 56.1 -61.3 -42.2 26.4 3.1 8.3 66 83 A L H < S+ 0 0 2 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.870 112.4 42.8 -59.6 -37.2 24.4 -0.1 8.9 67 84 A V H >< S+ 0 0 10 -4,-1.4 3,-1.4 -5,-0.2 4,-0.2 0.941 115.1 48.4 -73.2 -47.9 27.5 -2.1 8.3 68 85 A A H 3< S+ 0 0 49 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.863 119.6 39.2 -59.4 -36.9 29.8 0.2 10.3 69 86 A D T >X S+ 0 0 20 -4,-3.0 3,-2.0 -5,-0.2 4,-0.7 0.177 77.3 117.4 -99.4 18.4 27.3 0.3 13.2 70 87 A L G X4 S+ 0 0 1 -3,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.837 70.0 61.8 -57.6 -35.4 26.2 -3.4 13.2 71 88 A Q G 34 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.730 101.1 55.6 -62.1 -21.2 27.6 -4.0 16.6 72 89 A L G <4 S+ 0 0 74 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.651 90.6 91.4 -85.4 -17.0 25.2 -1.4 18.0 73 90 A I S << S- 0 0 3 -3,-1.2 5,-0.1 -4,-0.7 -44,-0.1 -0.512 82.1-103.7 -85.2 146.4 22.1 -3.1 16.6 74 91 A D > - 0 0 47 -2,-0.2 4,-2.6 -45,-0.2 5,-0.2 -0.111 39.8 -94.4 -63.5 164.2 19.9 -5.6 18.4 75 92 A F H > S+ 0 0 127 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.875 124.5 35.5 -46.4 -58.0 20.1 -9.4 17.7 76 93 A E H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 114.3 59.8 -69.4 -34.1 17.2 -9.6 15.3 77 94 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.868 99.0 56.7 -60.8 -39.7 18.1 -6.2 13.8 78 95 A K H X S+ 0 0 20 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.903 108.2 48.0 -59.5 -40.4 21.5 -7.5 12.8 79 96 A K H X S+ 0 0 82 -4,-1.1 4,-2.9 -5,-0.2 -1,-0.2 0.840 108.5 53.9 -68.7 -32.8 19.9 -10.2 10.8 80 97 A D H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.890 106.1 52.4 -67.3 -40.5 17.5 -7.8 9.2 81 98 A V H X S+ 0 0 3 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.960 111.7 47.3 -58.0 -47.4 20.5 -5.6 8.1 82 99 A A H X S+ 0 0 3 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.950 113.2 47.6 -58.6 -49.6 22.0 -8.8 6.5 83 100 A Q H X S+ 0 0 79 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.899 115.2 44.7 -59.8 -40.5 18.7 -9.7 4.8 84 101 A I H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.934 114.6 49.1 -69.3 -45.3 18.2 -6.2 3.4 85 102 A F H X S+ 0 0 2 -4,-3.1 4,-2.5 -5,-0.3 -2,-0.2 0.930 110.3 51.1 -58.6 -45.9 21.8 -5.9 2.3 86 103 A N H X S+ 0 0 29 -4,-3.0 4,-0.8 -5,-0.3 -1,-0.2 0.858 112.8 45.9 -64.7 -35.4 21.6 -9.3 0.6 87 104 A N H >< S+ 0 0 53 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.946 113.8 46.4 -71.0 -47.9 18.5 -8.3 -1.3 88 105 A I H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 11,-0.3 0.865 103.4 65.3 -64.1 -34.1 19.7 -4.9 -2.4 89 106 A L H 3< S+ 0 0 0 -4,-2.5 11,-0.3 -5,-0.3 -1,-0.2 0.849 100.8 50.5 -55.6 -34.8 23.1 -6.4 -3.5 90 107 A R T << S+ 0 0 107 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.344 79.2 134.7 -88.7 5.6 21.2 -8.4 -6.2 91 108 A R < - 0 0 56 -3,-1.9 8,-0.4 -4,-0.2 2,-0.4 -0.281 38.2-160.8 -56.5 136.8 19.4 -5.4 -7.6 92 109 A Q - 0 0 124 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.965 22.5-175.4-126.7 143.1 19.5 -5.2 -11.4 93 110 A I B > S-A 96 0A 82 3,-2.3 3,-2.2 -2,-0.4 2,-0.4 -0.892 75.2 -55.4-131.7 98.2 18.9 -2.4 -13.9 94 111 A G T 3 S- 0 0 76 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.530 122.5 -20.3 67.2-121.1 19.2 -4.0 -17.4 95 112 A T T 3 S+ 0 0 132 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.576 120.7 97.3 -94.6 -11.7 22.6 -5.7 -17.3 96 113 A R B < -A 93 0A 115 -3,-2.2 -3,-2.3 1,-0.0 3,-0.1 -0.432 57.8-156.3 -82.9 151.8 23.9 -3.6 -14.5 97 114 A T >> - 0 0 36 -5,-0.2 4,-1.9 -2,-0.1 3,-0.7 -0.866 15.1-171.0-122.5 86.8 24.1 -4.5 -10.7 98 115 A P H 3> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.775 79.9 56.4 -52.1 -35.1 24.2 -1.0 -9.2 99 116 A T H 3> S+ 0 0 1 -8,-0.4 4,-2.8 -11,-0.3 5,-0.2 0.876 107.2 49.7 -70.1 -32.8 24.9 -2.2 -5.6 100 117 A V H <> S+ 0 0 6 -3,-0.7 4,-1.9 -11,-0.3 -1,-0.2 0.950 112.3 46.7 -69.6 -44.3 28.0 -4.0 -6.8 101 118 A E H X S+ 0 0 81 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.921 112.0 53.5 -61.2 -39.9 29.2 -0.9 -8.7 102 119 A Y H >< S+ 0 0 29 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.953 108.3 47.2 -59.0 -52.3 28.4 1.1 -5.6 103 120 A I H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.812 101.8 65.1 -62.4 -28.8 30.5 -1.2 -3.3 104 121 A C H 3< S+ 0 0 41 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.782 110.5 37.9 -63.6 -24.0 33.4 -1.0 -5.8 105 122 A T T << S+ 0 0 110 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.230 119.6 49.9-105.9 7.7 33.6 2.8 -4.9 106 123 A Q X + 0 0 68 -3,-1.4 3,-2.2 -4,-0.1 4,-0.4 -0.393 66.9 156.0-138.6 52.9 32.8 2.1 -1.2 107 124 A Q T >> + 0 0 77 -3,-0.3 4,-1.7 1,-0.3 3,-0.9 0.704 58.2 78.2 -63.8 -16.8 35.3 -0.6 -0.5 108 125 A N H 3> S+ 0 0 91 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.736 82.8 68.0 -64.5 -20.7 35.5 0.1 3.2 109 126 A I H <> S+ 0 0 0 -3,-2.2 4,-2.3 -6,-0.2 -1,-0.3 0.933 103.1 44.2 -61.1 -42.2 32.2 -1.8 3.4 110 127 A L H <> S+ 0 0 0 -3,-0.9 4,-2.6 -4,-0.4 -2,-0.2 0.913 113.7 49.4 -68.9 -41.6 34.1 -4.9 2.5 111 128 A F H X S+ 0 0 56 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.881 112.7 48.1 -66.8 -35.6 37.0 -4.2 4.9 112 129 A X H X S+ 0 0 48 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.917 110.9 50.2 -70.2 -41.2 34.6 -3.5 7.7 113 130 A L H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.2 3,-0.2 0.936 111.3 49.3 -61.5 -43.9 32.7 -6.7 7.1 114 131 A L H >< S+ 0 0 4 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.925 109.1 51.1 -59.2 -46.5 35.9 -8.7 7.0 115 132 A K H >< S+ 0 0 103 -4,-2.1 3,-2.4 1,-0.3 -1,-0.2 0.773 94.3 76.7 -62.1 -25.1 37.1 -7.1 10.3 116 133 A G G >< S+ 0 0 4 -4,-1.4 3,-2.0 1,-0.3 6,-0.3 0.710 73.9 76.6 -59.9 -21.4 33.8 -8.1 11.8 117 134 A Y G < S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.746 88.4 61.6 -61.3 -19.1 35.0 -11.7 12.0 118 135 A E G < S+ 0 0 73 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.442 91.1 73.8 -86.5 -0.6 36.9 -10.4 15.1 119 136 A S S X> S- 0 0 27 -3,-2.0 4,-2.3 1,-0.1 3,-2.0 -0.941 71.8-151.4-117.4 110.3 33.7 -9.4 17.0 120 137 A P T 34 S+ 0 0 96 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.786 91.4 54.9 -47.7 -38.1 31.8 -12.4 18.3 121 138 A E T 34 S+ 0 0 143 1,-0.2 4,-0.1 2,-0.1 -5,-0.0 0.629 121.8 25.5 -80.8 -10.6 28.4 -10.8 18.2 122 139 A I T <> S+ 0 0 9 -3,-2.0 4,-2.5 -6,-0.3 3,-0.4 0.512 90.5 99.7-124.7 -10.1 28.5 -9.8 14.6 123 140 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.873 85.3 46.7 -45.5 -50.9 31.0 -12.4 13.0 124 141 A L H > S+ 0 0 77 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.899 112.4 49.4 -66.0 -35.5 28.3 -14.7 11.5 125 142 A N H > S+ 0 0 12 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.896 111.1 50.7 -69.4 -36.4 26.3 -11.8 10.0 126 143 A C H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.923 109.4 51.8 -63.1 -42.9 29.5 -10.4 8.5 127 144 A G H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 5,-0.2 0.929 108.5 50.9 -57.5 -46.5 30.2 -13.9 7.1 128 145 A I H X S+ 0 0 62 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.943 114.6 42.3 -57.2 -51.1 26.7 -14.1 5.5 129 146 A X H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.898 113.2 53.1 -65.9 -39.4 27.0 -10.7 3.9 130 147 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.937 107.2 51.1 -59.9 -46.0 30.6 -11.4 2.8 131 148 A R H X S+ 0 0 52 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.858 110.0 50.4 -64.0 -31.9 29.6 -14.6 1.1 132 149 A E H >< S+ 0 0 51 -4,-1.7 3,-1.1 -5,-0.2 4,-0.3 0.926 110.7 49.3 -69.4 -40.6 26.8 -12.8 -0.8 133 150 A C H >< S+ 0 0 0 -4,-2.6 3,-2.4 1,-0.2 7,-0.4 0.929 103.2 62.2 -57.1 -46.5 29.3 -10.1 -1.9 134 151 A I H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.630 85.1 74.9 -54.1 -24.2 31.7 -12.9 -3.1 135 152 A R T << S+ 0 0 92 -3,-1.1 2,-0.6 -4,-0.5 -1,-0.3 0.750 87.3 72.3 -62.2 -23.1 29.2 -14.1 -5.6 136 153 A H S X> S- 0 0 25 -3,-2.4 4,-2.4 -4,-0.3 3,-0.9 -0.859 81.8-141.9-100.1 118.7 30.1 -11.0 -7.7 137 154 A E H 3> S+ 0 0 96 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.833 97.8 55.1 -51.8 -37.4 33.6 -11.3 -9.3 138 155 A P H 3> S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.879 112.0 43.5 -67.1 -31.8 34.5 -7.6 -8.7 139 156 A L H <> S+ 0 0 0 -3,-0.9 4,-2.1 -6,-0.3 -2,-0.2 0.872 111.7 52.8 -79.3 -38.5 33.9 -7.9 -5.0 140 157 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 -7,-0.4 5,-0.2 0.922 109.6 52.0 -59.5 -42.1 35.6 -11.3 -4.7 141 158 A K H X S+ 0 0 99 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.926 106.6 50.6 -60.6 -46.5 38.6 -9.6 -6.4 142 159 A I H X S+ 0 0 25 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.928 115.8 43.5 -58.7 -46.5 38.8 -6.7 -4.0 143 160 A I H >< S+ 0 0 1 -4,-2.1 3,-0.8 1,-0.2 6,-0.4 0.959 113.9 48.9 -65.8 -47.1 38.7 -9.1 -1.1 144 161 A L H 3< S+ 0 0 1 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 112.9 46.5 -62.0 -38.1 41.2 -11.6 -2.5 145 162 A W H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.597 95.7 99.9 -80.6 -10.6 43.8 -9.0 -3.5 146 163 A S S X< S- 0 0 14 -3,-0.8 3,-1.4 -4,-0.8 4,-0.4 -0.414 79.7-127.0 -78.4 153.2 43.6 -7.2 -0.1 147 164 A E G > S+ 0 0 102 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.778 109.9 68.6 -64.4 -29.1 46.0 -7.7 2.8 148 165 A Q G > S+ 0 0 77 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.753 79.8 76.4 -65.8 -18.8 43.0 -8.5 4.9 149 166 A F G X S+ 0 0 0 -3,-1.4 3,-1.9 -6,-0.4 4,-0.3 0.903 88.2 60.0 -57.6 -38.0 42.6 -11.7 2.9 150 167 A Y G X> S+ 0 0 22 -3,-1.2 3,-1.2 -4,-0.4 4,-0.5 0.668 86.2 76.1 -65.1 -14.3 45.5 -13.1 4.9 151 168 A D H X> S+ 0 0 29 -3,-1.8 4,-2.6 -4,-0.3 3,-0.9 0.763 80.1 71.5 -67.5 -23.1 43.4 -12.6 8.1 152 169 A F H <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.5 -1,-0.3 0.829 88.6 61.4 -61.3 -27.2 41.4 -15.7 7.0 153 170 A F H <4 S+ 0 0 10 -3,-1.2 -1,-0.3 -4,-0.3 4,-0.2 0.849 110.0 41.1 -68.6 -28.3 44.5 -17.8 8.0 154 171 A R H X< S+ 0 0 120 -3,-0.9 3,-1.2 -4,-0.5 -2,-0.2 0.912 113.5 52.8 -81.1 -44.0 44.1 -16.4 11.5 155 172 A Y H >< S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.890 104.8 53.1 -59.6 -43.4 40.3 -16.7 11.5 156 173 A V T 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.658 109.5 51.3 -69.9 -10.7 40.1 -20.3 10.5 157 174 A E T < S+ 0 0 76 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.265 83.8 130.7-104.0 8.5 42.5 -21.1 13.4 158 175 A X < - 0 0 50 -3,-1.7 6,-0.2 2,-0.1 -3,-0.1 -0.291 66.2-125.7 -62.4 148.3 40.4 -19.3 16.0 159 176 A S S S+ 0 0 109 1,-0.1 2,-1.3 4,-0.1 -1,-0.1 0.696 98.0 80.1 -70.2 -21.0 39.5 -21.1 19.3 160 177 A T S > S- 0 0 62 1,-0.2 4,-2.3 2,-0.1 3,-0.4 -0.748 71.5-166.2 -88.2 96.7 35.8 -20.5 18.7 161 178 A F H > S+ 0 0 126 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.756 78.4 57.5 -57.4 -32.8 35.3 -23.3 16.2 162 179 A D H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 112.1 41.7 -66.7 -42.7 31.9 -22.3 14.9 163 180 A I H > S+ 0 0 12 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.893 113.2 54.1 -69.7 -40.8 33.2 -18.9 13.8 164 181 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.921 109.2 49.1 -57.9 -42.4 36.4 -20.6 12.5 165 182 A S H X S+ 0 0 68 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.886 110.9 49.5 -64.8 -38.9 34.2 -22.9 10.4 166 183 A D H X S+ 0 0 25 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.925 110.2 49.9 -66.9 -43.0 32.2 -20.0 9.0 167 184 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.888 108.1 55.3 -61.2 -38.2 35.4 -18.1 8.1 168 185 A F H X S+ 0 0 12 -4,-2.2 4,-3.3 -5,-0.2 5,-0.2 0.911 104.2 52.7 -62.6 -42.0 36.6 -21.3 6.4 169 186 A A H X S+ 0 0 43 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.904 112.8 45.2 -59.4 -39.1 33.4 -21.4 4.2 170 187 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.940 113.4 49.5 -67.2 -47.5 34.1 -17.8 3.2 171 188 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.932 112.7 47.6 -54.7 -52.9 37.8 -18.5 2.5 172 189 A K H X S+ 0 0 73 -4,-3.3 4,-1.1 1,-0.2 5,-0.2 0.889 110.0 52.4 -59.7 -40.7 36.9 -21.6 0.4 173 190 A D H >X S+ 0 0 23 -4,-2.0 4,-2.8 -5,-0.2 3,-0.9 0.954 108.4 51.2 -60.8 -48.8 34.3 -19.7 -1.6 174 191 A L H 3< S+ 0 0 2 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.879 113.6 44.8 -54.7 -41.0 36.8 -16.9 -2.4 175 192 A L H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.602 125.6 28.1 -81.2 -14.2 39.3 -19.5 -3.6 176 193 A T H << S+ 0 0 29 -4,-1.1 3,-0.2 -3,-0.9 -2,-0.2 0.606 100.8 71.9-124.7 -17.5 36.9 -21.6 -5.7 177 194 A R S < S+ 0 0 119 -4,-2.8 2,-0.9 1,-0.2 -3,-0.1 0.964 100.2 39.3 -70.5 -54.9 34.0 -19.6 -7.0 178 195 A H S > S- 0 0 29 -4,-0.4 4,-2.8 -5,-0.3 5,-0.2 -0.833 74.6-169.3-100.1 98.8 35.6 -17.4 -9.7 179 196 A K H > S+ 0 0 80 -2,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.860 79.9 43.2 -58.6 -47.9 38.1 -19.7 -11.4 180 197 A L H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 116.6 49.3 -65.8 -43.8 40.1 -17.4 -13.6 181 198 A L H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 113.7 44.7 -60.9 -47.8 40.3 -14.8 -10.8 182 199 A S H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.939 112.6 52.0 -64.8 -41.9 41.4 -17.4 -8.2 183 200 A A H X S+ 0 0 5 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.891 110.3 48.7 -60.4 -39.2 43.9 -18.9 -10.6 184 201 A E H X S+ 0 0 86 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.897 113.1 48.6 -69.5 -38.3 45.4 -15.4 -11.4 185 202 A F H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.951 110.3 49.0 -64.7 -51.2 45.6 -14.7 -7.6 186 203 A L H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.4 49.3 -57.5 -40.1 47.3 -18.0 -6.7 187 204 A E H >< S+ 0 0 87 -4,-1.8 3,-0.9 -5,-0.3 -1,-0.2 0.944 113.5 45.1 -66.0 -45.8 49.9 -17.5 -9.4 188 205 A Q H 3< S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.736 126.0 30.0 -70.7 -25.9 50.7 -13.9 -8.5 189 206 A H T 3X S+ 0 0 57 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 -0.025 80.1 133.5-123.9 31.3 51.0 -14.6 -4.7 190 207 A Y H <> + 0 0 12 -3,-0.9 4,-2.7 1,-0.2 5,-0.4 0.909 68.9 46.6 -48.5 -58.5 52.1 -18.2 -4.8 191 208 A D H > S+ 0 0 120 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.916 117.6 40.4 -56.8 -49.0 54.9 -18.1 -2.2 192 209 A R H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 116.5 49.8 -67.8 -41.9 53.1 -16.1 0.5 193 210 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.967 114.7 41.7 -62.7 -52.5 49.8 -18.0 0.0 194 211 A F H X S+ 0 0 17 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.821 109.1 60.2 -69.8 -23.5 51.3 -21.5 0.1 195 212 A S H X S+ 0 0 56 -4,-1.6 4,-0.9 -5,-0.4 -1,-0.2 0.934 112.3 39.4 -64.8 -43.5 53.6 -20.5 3.0 196 213 A E H X S+ 0 0 50 -4,-1.9 4,-0.9 1,-0.2 3,-0.4 0.897 114.7 52.5 -70.6 -40.8 50.5 -19.7 5.0 197 214 A Y H >X S+ 0 0 2 -4,-2.7 4,-1.4 1,-0.2 3,-0.8 0.881 98.6 64.0 -64.0 -37.0 48.5 -22.6 3.7 198 215 A E H 3< S+ 0 0 79 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.893 100.5 55.0 -54.9 -37.3 51.3 -25.1 4.7 199 216 A K H >< S+ 0 0 114 -4,-0.9 3,-1.6 -3,-0.4 -1,-0.3 0.831 99.5 59.0 -67.2 -31.5 50.6 -24.0 8.3 200 217 A L H X< S+ 0 0 2 -4,-0.9 3,-2.0 -3,-0.8 -1,-0.2 0.864 94.6 65.3 -65.1 -32.4 46.9 -24.9 8.0 201 218 A L T 3< S+ 0 0 2 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.465 103.8 47.0 -70.8 2.1 47.9 -28.4 7.2 202 219 A H T < S+ 0 0 116 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.084 83.5 144.6-123.9 17.6 49.3 -28.6 10.7 203 220 A S < - 0 0 8 -3,-2.0 6,-0.1 1,-0.1 -3,-0.1 -0.255 49.6-145.0 -61.7 143.3 46.2 -27.2 12.5 204 221 A E S S+ 0 0 183 -47,-0.1 2,-1.3 1,-0.1 -1,-0.1 0.730 86.3 87.6 -79.1 -22.1 45.3 -28.5 15.9 205 222 A N S > S- 0 0 15 1,-0.2 4,-2.5 -49,-0.1 3,-0.4 -0.681 73.3-157.0 -78.8 99.7 41.6 -28.0 14.9 206 223 A Y H > S+ 0 0 157 -2,-1.3 4,-2.6 1,-0.3 5,-0.2 0.819 90.8 55.0 -47.8 -35.2 41.2 -31.4 13.2 207 224 A V H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.936 107.1 46.1 -66.1 -48.7 38.4 -29.9 11.2 208 225 A T H > S+ 0 0 2 -3,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.917 115.3 49.8 -61.8 -39.5 40.4 -27.0 9.8 209 226 A K H X S+ 0 0 38 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 113.8 42.6 -63.8 -48.3 43.2 -29.5 9.0 210 227 A R H X S+ 0 0 53 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 117.2 47.0 -65.3 -45.9 40.9 -32.0 7.2 211 228 A Q H X S+ 0 0 51 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.871 111.8 52.1 -64.5 -37.1 39.0 -29.3 5.4 212 229 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.934 110.3 47.2 -66.8 -41.2 42.3 -27.6 4.4 213 230 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 112.7 50.3 -66.6 -38.1 43.7 -30.8 3.0 214 231 A K H X S+ 0 0 79 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.919 111.1 47.7 -65.5 -42.5 40.4 -31.4 1.1 215 232 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.886 107.1 57.1 -67.2 -37.4 40.4 -27.9 -0.4 216 233 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.950 107.1 49.3 -57.3 -47.1 44.1 -28.3 -1.4 217 234 A G H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.917 112.3 47.6 -56.7 -45.2 43.1 -31.4 -3.4 218 235 A E H X S+ 0 0 73 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.918 111.7 49.9 -64.1 -43.6 40.3 -29.5 -5.1 219 236 A L H >< S+ 0 0 9 -4,-3.0 3,-0.7 1,-0.2 6,-0.2 0.924 110.9 48.8 -60.5 -46.4 42.4 -26.5 -5.9 220 237 A L H 3< S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.798 110.5 51.9 -64.7 -31.1 45.2 -28.7 -7.5 221 238 A L H 3< S+ 0 0 118 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.594 81.5 103.8 -84.5 -13.8 42.7 -30.6 -9.6 222 239 A D S X< S- 0 0 39 -4,-0.9 3,-2.1 -3,-0.7 7,-0.2 -0.554 72.4-134.3 -74.0 132.1 40.9 -27.7 -11.3 223 240 A R G > S+ 0 0 202 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.826 103.5 62.4 -53.8 -32.8 42.1 -27.2 -14.9 224 241 A H G 3 S+ 0 0 50 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.728 100.2 54.8 -65.7 -21.5 42.4 -23.4 -14.3 225 242 A N G X> + 0 0 6 -3,-2.1 4,-2.8 -6,-0.2 3,-0.5 0.253 68.7 122.0 -98.0 15.9 45.0 -24.0 -11.7 226 243 A F H <> S+ 0 0 129 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.833 75.5 47.3 -47.7 -45.2 47.4 -26.1 -13.8 227 244 A T H 3> S+ 0 0 76 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.899 113.9 47.9 -65.9 -40.3 50.4 -23.8 -13.4 228 245 A I H <> S+ 0 0 6 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.896 113.3 48.9 -64.1 -42.1 49.9 -23.6 -9.7 229 246 A X H X S+ 0 0 30 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.959 107.9 53.1 -64.9 -48.8 49.6 -27.4 -9.5 230 247 A T H < S+ 0 0 57 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.886 112.6 45.5 -53.2 -39.5 52.7 -28.0 -11.6 231 248 A K H >< S+ 0 0 80 -4,-1.7 3,-1.3 -5,-0.2 4,-0.4 0.906 111.1 51.6 -72.7 -42.3 54.6 -25.8 -9.2 232 249 A Y H >< S+ 0 0 8 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.914 109.0 50.0 -62.2 -42.9 53.2 -27.4 -6.0 233 250 A I T 3< S+ 0 0 2 -4,-2.8 38,-0.3 1,-0.2 -1,-0.3 0.362 101.1 66.3 -81.4 11.3 54.0 -30.9 -7.1 234 251 A S T < S+ 0 0 34 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.539 80.3 92.6-103.9 -9.6 57.6 -29.9 -7.9 235 252 A K X> - 0 0 83 -3,-1.2 4,-1.7 -4,-0.4 3,-1.0 -0.763 64.1-151.3 -94.3 122.0 58.6 -29.2 -4.3 236 253 A P H 3> S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.854 96.9 58.1 -52.2 -42.6 60.2 -32.0 -2.3 237 254 A E H 3> S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.825 104.9 50.1 -61.2 -33.2 58.9 -30.6 1.0 238 255 A N H <> S+ 0 0 18 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.915 111.6 47.3 -72.5 -42.8 55.3 -30.8 -0.3 239 256 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.936 111.4 53.2 -61.1 -43.8 55.7 -34.5 -1.4 240 257 A K H X S+ 0 0 61 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.938 109.1 48.4 -55.7 -50.2 57.3 -35.2 2.0 241 258 A L H X S+ 0 0 21 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.906 112.4 47.4 -60.7 -44.0 54.3 -33.7 3.8 242 259 A X H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.920 111.9 50.4 -66.7 -37.7 51.8 -35.6 1.8 243 260 A X H >< S+ 0 0 0 -4,-3.0 3,-0.6 1,-0.2 4,-0.4 0.915 110.7 49.2 -66.1 -39.3 53.7 -38.9 2.3 244 261 A N H >< S+ 0 0 70 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 0.866 106.3 57.1 -66.3 -33.4 53.8 -38.3 6.0 245 262 A L H >< S+ 0 0 10 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.719 90.8 71.1 -70.8 -19.7 50.1 -37.5 6.1 246 263 A L T << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.756 104.3 43.3 -64.5 -22.2 49.5 -41.0 4.5 247 264 A R T < S+ 0 0 106 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.189 85.1 136.6-107.5 17.1 50.5 -42.2 8.0 248 265 A D < - 0 0 27 -3,-1.6 6,-0.2 2,-0.2 -3,-0.1 -0.232 67.3-117.6 -61.7 152.7 48.5 -39.6 10.0 249 266 A K S S+ 0 0 174 4,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.752 98.1 81.3 -64.3 -20.7 46.7 -41.1 13.0 250 267 A S > - 0 0 22 1,-0.1 4,-2.4 -5,-0.1 -2,-0.2 -0.777 69.0-154.8 -93.8 126.1 43.5 -39.9 11.3 251 268 A R H > S+ 0 0 92 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.845 97.1 50.8 -61.5 -39.6 42.0 -42.2 8.6 252 269 A N H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.889 109.1 51.2 -67.4 -42.0 40.2 -39.3 6.9 253 270 A I H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.956 110.5 48.9 -59.8 -48.1 43.4 -37.2 6.8 254 271 A Q H X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 111.8 50.2 -57.3 -45.2 45.3 -40.2 5.2 255 272 A F H X S+ 0 0 27 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.895 111.9 45.3 -62.9 -41.3 42.6 -40.5 2.7 256 273 A E H X S+ 0 0 31 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.882 112.5 52.9 -69.0 -36.4 42.6 -36.8 1.8 257 274 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 3,-0.4 0.890 102.5 58.6 -64.9 -38.1 46.4 -37.0 1.6 258 275 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.882 101.3 56.7 -56.7 -40.7 46.2 -39.9 -0.8 259 276 A H H X S+ 0 0 54 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.876 112.3 39.3 -61.8 -38.4 44.2 -37.7 -3.2 260 277 A V H >X S+ 0 0 0 -4,-1.2 3,-1.4 -3,-0.4 4,-1.3 0.941 111.7 58.2 -75.3 -47.2 47.0 -35.1 -3.3 261 278 A F H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.3 3,-0.4 0.887 99.4 59.1 -45.9 -48.8 49.7 -37.8 -3.3 262 279 A K H 3X S+ 0 0 59 -4,-2.7 4,-2.9 1,-0.2 -1,-0.3 0.868 100.7 56.7 -50.4 -39.7 48.2 -39.3 -6.5 263 280 A V H > - 0 0 50 -38,-0.3 4,-2.5 -2,-0.1 3,-0.6 -0.475 33.1-108.7 -77.3 158.9 61.6 -32.8 -11.2 272 289 A Q H 3> S+ 0 0 144 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.857 117.2 56.7 -60.1 -39.4 64.6 -34.8 -10.1 273 290 A P H 3> S+ 0 0 64 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.836 112.1 45.1 -60.6 -31.4 64.2 -34.1 -6.3 274 291 A I H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 3,-0.3 0.937 113.5 46.8 -75.3 -52.3 60.6 -35.5 -6.6 275 292 A L H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.901 110.9 54.9 -56.8 -40.2 61.6 -38.6 -8.7 276 293 A D H X S+ 0 0 68 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.849 105.9 50.3 -65.1 -35.7 64.5 -39.2 -6.2 277 294 A I H X S+ 0 0 9 -4,-1.1 4,-1.0 -3,-0.3 -1,-0.2 0.904 111.8 48.5 -67.0 -41.8 62.2 -39.3 -3.2 278 295 A L H < S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 7,-0.2 0.906 113.3 46.9 -65.6 -38.5 59.9 -41.8 -5.0 279 296 A L H >< S+ 0 0 22 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.883 107.2 56.4 -70.2 -40.0 62.8 -44.0 -6.0 280 297 A K H 3< S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 121.2 30.5 -60.7 -26.3 64.3 -43.9 -2.5 281 298 A N T 3X S+ 0 0 2 -4,-1.0 4,-3.1 -3,-0.3 5,-0.3 0.144 85.9 120.3-119.0 20.7 60.9 -45.2 -1.2 282 299 A Q H <> S+ 0 0 56 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.919 78.6 38.1 -54.1 -58.1 59.9 -47.3 -4.3 283 300 A A H > S+ 0 0 81 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.914 118.5 50.8 -62.3 -42.3 59.6 -50.7 -2.7 284 301 A K H > S+ 0 0 89 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.900 111.7 47.6 -61.3 -42.6 58.1 -49.3 0.5 285 302 A L H X S+ 0 0 0 -4,-3.1 4,-3.0 -7,-0.2 5,-0.3 0.902 110.4 51.9 -65.4 -43.8 55.5 -47.3 -1.5 286 303 A I H X S+ 0 0 36 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.958 115.8 40.9 -57.7 -47.9 54.6 -50.3 -3.6 287 304 A E H X S+ 0 0 110 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.936 115.4 51.0 -66.0 -46.0 54.0 -52.4 -0.5 288 305 A F H >X S+ 0 0 36 -4,-3.1 3,-1.2 1,-0.2 4,-1.0 0.932 111.8 45.7 -57.6 -48.4 52.3 -49.5 1.4 289 306 A L H 3< S+ 0 0 0 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.834 104.4 62.8 -66.6 -32.0 49.8 -48.8 -1.4 290 307 A S H 3< S+ 0 0 56 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.654 117.6 30.0 -66.8 -12.9 49.1 -52.5 -1.8 291 308 A K H X< S+ 0 0 139 -3,-1.2 3,-1.2 -4,-0.6 2,-0.3 0.457 84.7 132.8-123.2 -6.0 47.7 -52.5 1.7 292 309 A F T 3< S- 0 0 9 -4,-1.0 14,-0.1 -3,-0.3 -3,-0.0 -0.343 93.0 -34.0 -57.7 112.8 46.4 -48.9 2.2 293 310 A Q T > S+ 0 0 13 -2,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.868 77.2 169.4 39.0 49.1 42.9 -48.9 3.7 294 311 A N T < S+ 0 0 95 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.684 71.3 65.9 -62.8 -14.0 42.1 -52.1 1.8 295 312 A D T 3 0 0 106 3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.853 360.0 360.0 -74.8 -33.0 39.0 -52.3 4.0 296 313 A R < 0 0 56 -3,-1.3 4,-0.1 2,-0.1 -3,-0.0 0.164 360.0 360.0 -66.4 360.0 37.6 -49.2 2.3 297 ! 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 0.0 298 315 A E 0 0 170 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 101.9 34.4 -50.5 -1.0 299 316 A D - 0 0 63 1,-0.1 2,-1.8 2,-0.0 -3,-0.0 0.806 360.0-169.1 -92.0 -39.4 35.1 -47.3 -2.9 300 317 A E S > S+ 0 0 121 1,-0.2 4,-1.8 -4,-0.1 -1,-0.1 -0.154 83.7 60.3 75.6 -46.1 36.1 -48.9 -6.3 301 318 A Q H > S+ 0 0 139 -2,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.884 108.6 46.6 -74.4 -37.1 37.3 -45.6 -7.6 302 319 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.899 111.3 50.1 -66.5 -45.2 39.7 -45.6 -4.7 303 320 A N H > S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 110.7 50.0 -64.0 -39.4 40.7 -49.3 -5.4 304 321 A D H X S+ 0 0 98 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.846 108.6 53.2 -68.7 -31.0 41.3 -48.5 -9.0 305 322 A E H X S+ 0 0 32 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.885 107.3 50.7 -71.5 -37.7 43.5 -45.5 -8.0 306 323 A K H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.902 110.0 50.7 -64.6 -38.4 45.6 -47.7 -5.8 307 324 A T H X S+ 0 0 87 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.905 112.3 46.9 -64.1 -42.2 46.1 -50.1 -8.7 308 325 A Y H X S+ 0 0 83 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.869 113.3 47.8 -66.6 -41.1 47.1 -47.3 -10.9 309 326 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.876 108.1 54.4 -71.7 -36.8 49.6 -45.8 -8.4 310 327 A V H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.932 112.2 45.1 -62.6 -41.9 51.2 -49.2 -7.6 311 328 A K H X S+ 0 0 115 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.904 111.2 53.0 -67.7 -39.7 51.8 -49.6 -11.3 312 329 A Q H < S+ 0 0 53 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.946 112.1 44.7 -58.6 -48.3 53.1 -46.0 -11.6 313 330 A I H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.894 111.7 52.6 -65.0 -40.7 55.6 -46.5 -8.7 314 331 A R H 3< S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.6 48.2 -61.6 -36.6 56.7 -49.9 -10.1 315 332 A D T 3< S+ 0 0 101 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.477 79.1 130.8 -86.9 -0.0 57.4 -48.3 -13.4 316 333 A L < + 0 0 19 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.1 -0.295 32.8 176.2 -57.1 132.0 59.4 -45.3 -12.1 317 334 A K - 0 0 173 -2,-0.0 -2,-0.0 0, 0.0 -38,-0.0 -0.995 34.4-118.0-141.0 143.7 62.6 -44.8 -14.1 318 335 A R - 0 0 176 -2,-0.3 3,-0.1 1,-0.1 -46,-0.0 -0.567 38.6-141.3 -73.7 140.5 65.5 -42.3 -14.1 319 336 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.059 44.6 -45.1 -89.5-161.8 65.6 -40.7 -17.6 320 337 A A 0 0 99 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.474 360.0 360.0 -66.4 134.9 68.6 -39.7 -19.6 321 338 A Q 0 0 249 -2,-0.2 -1,-0.1 -3,-0.1 0, 0.0 0.942 360.0 360.0 -55.2 360.0 71.2 -37.9 -17.4 322 !* 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 0.0 323 1 B D 0 0 139 0, 0.0 2,-0.1 0, 0.0 -39,-0.0 0.000 360.0 360.0 360.0 153.3 59.0 -44.9 8.1 324 2 B W - 0 0 6 -84,-0.1 2,-0.5 -40,-0.0 -43,-0.1 -0.401 360.0-140.9 -76.5 159.4 59.7 -43.1 4.8 325 3 B E 0 0 114 -48,-0.2 -45,-0.0 1,-0.1 -1,-0.0 -0.990 360.0 360.0-124.7 122.9 63.3 -42.0 4.0 326 4 B F 0 0 96 -2,-0.5 -1,-0.1 -46,-0.0 -46,-0.1 0.710 360.0 360.0-110.8 360.0 63.9 -38.6 2.4