==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-OCT-12 4HKA . COMPND 2 MOLECULE: TRYPTOPHAN 2,3-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR W.HUANG,J.DING . 345 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 5 1 0 0 1 1 2 0 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 24 A G 0 0 87 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.1 47.9 -31.8 13.1 2 25 A K + 0 0 212 1,-0.0 2,-0.3 0, 0.0 3,-0.0 0.514 360.0 86.3-129.1 -23.3 47.8 -29.2 15.8 3 26 A I S >> S- 0 0 121 1,-0.1 4,-2.5 4,-0.0 3,-1.5 -0.673 86.3-112.0 -87.7 139.7 51.5 -28.1 16.1 4 27 A Y H 3> S+ 0 0 181 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.787 113.7 43.4 -28.3 -63.0 53.0 -25.5 13.8 5 28 A G H 34>S+ 0 0 25 1,-0.2 5,-2.0 2,-0.2 6,-0.5 0.730 115.6 48.0 -67.1 -27.4 55.3 -27.8 11.9 6 29 A E H X45S+ 0 0 107 -3,-1.5 3,-0.7 3,-0.2 -1,-0.2 0.891 113.2 47.4 -77.8 -43.7 52.8 -30.6 11.4 7 30 A Y H 3<5S+ 0 0 169 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.908 117.1 41.9 -62.5 -45.5 50.0 -28.2 10.3 8 31 A L T 3<5S- 0 0 73 -4,-2.4 -1,-0.2 -5,-0.3 5,-0.2 0.379 105.4-128.7 -86.4 3.7 52.2 -26.4 7.8 9 32 A M T X>5 + 0 0 110 -3,-0.7 4,-2.5 -5,-0.2 3,-1.1 0.874 44.1 167.3 48.7 46.2 53.8 -29.7 6.6 10 33 A L H 3>< + 0 0 41 -5,-2.0 4,-2.5 1,-0.3 -4,-0.1 0.721 66.8 65.9 -62.9 -24.6 57.3 -28.2 7.2 11 34 A D H 34 S+ 0 0 132 -6,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.841 112.0 34.8 -65.9 -34.1 58.9 -31.6 6.9 12 35 A K H X4 S+ 0 0 155 -3,-1.1 3,-1.5 2,-0.1 -2,-0.2 0.927 119.7 49.3 -79.5 -52.0 57.8 -31.7 3.2 13 36 A L H >< S+ 0 0 75 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.859 112.9 45.2 -58.1 -43.4 58.2 -27.9 2.5 14 37 A L T 3< S+ 0 0 114 -4,-2.5 -1,-0.3 1,-0.2 3,-0.2 0.284 105.7 61.7 -91.8 11.5 61.7 -27.6 3.9 15 38 A D T < S+ 0 0 141 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.136 81.6 84.8-113.2 16.5 63.0 -30.7 2.2 16 39 A A < + 0 0 54 -3,-1.0 2,-0.7 1,-0.1 -2,-0.1 0.190 64.5 98.8-100.9 15.6 62.3 -29.3 -1.3 17 40 A Q + 0 0 49 -3,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.830 42.2 166.9-113.8 96.8 65.6 -27.4 -1.6 18 41 A C - 0 0 77 -2,-0.7 2,-0.7 14,-0.0 3,-0.1 -0.901 22.7-153.8-113.7 104.5 68.2 -29.3 -3.6 19 42 A M > - 0 0 32 -2,-0.6 4,-1.7 1,-0.2 3,-0.4 -0.680 3.8-162.8 -77.0 115.5 71.3 -27.2 -4.6 20 43 A L H > S+ 0 0 62 -2,-0.7 4,-0.6 1,-0.2 6,-0.2 0.758 89.1 54.3 -74.8 -25.9 72.6 -28.8 -7.8 21 44 A S H 4>S+ 0 0 0 2,-0.2 5,-1.8 7,-0.2 -1,-0.2 0.708 107.3 54.7 -75.9 -19.9 76.0 -27.2 -7.5 22 45 A E H >45S+ 0 0 115 -3,-0.4 3,-1.3 3,-0.2 -2,-0.2 0.942 107.5 44.6 -78.5 -50.7 76.3 -28.6 -4.0 23 46 A E H 3<5S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.631 109.1 60.3 -69.7 -14.1 75.7 -32.2 -4.8 24 47 A D T 3<5S- 0 0 77 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.092 115.6-116.5-102.1 30.6 78.1 -31.8 -7.7 25 48 A K T < 5S+ 0 0 189 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.523 94.8 94.6 48.9 15.2 80.9 -30.8 -5.3 26 49 A R < - 0 0 170 -5,-1.8 2,-0.1 -6,-0.2 -1,-0.1 -0.605 65.5-164.7-128.3 72.3 81.2 -27.3 -6.7 27 50 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -5,-0.1 -0.355 14.3-164.5 -77.4 132.1 79.0 -25.3 -4.4 28 51 A V > - 0 0 13 1,-0.1 3,-1.7 -2,-0.1 4,-0.4 -0.966 13.3-148.8-110.0 116.7 77.7 -21.8 -5.2 29 52 A H T > S+ 0 0 155 -2,-0.6 3,-1.4 1,-0.3 4,-0.4 0.868 92.5 56.0 -50.9 -47.4 76.3 -20.0 -2.1 30 53 A D T 3> S+ 0 0 30 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.559 83.9 82.9 -70.4 -8.8 73.7 -17.9 -3.9 31 54 A E H <> S+ 0 0 10 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.841 86.6 59.3 -61.9 -31.8 72.0 -21.0 -5.5 32 55 A H H <> S+ 0 0 95 -3,-1.4 4,-2.3 -4,-0.4 -1,-0.2 0.904 106.1 46.6 -60.7 -44.4 70.2 -21.4 -2.2 33 56 A L H > S+ 0 0 45 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.896 108.2 56.6 -62.5 -44.9 68.7 -17.9 -2.7 34 57 A F H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.928 111.1 43.1 -51.4 -53.0 67.8 -18.7 -6.3 35 58 A I H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.948 115.8 47.2 -59.4 -53.5 65.7 -21.7 -5.3 36 59 A I H X S+ 0 0 68 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.896 109.0 54.5 -59.7 -43.5 64.0 -20.0 -2.3 37 60 A T H X S+ 0 0 10 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.941 112.5 43.0 -56.3 -50.2 63.1 -16.9 -4.3 38 61 A H H X S+ 0 0 80 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.882 113.0 52.4 -62.8 -41.4 61.3 -19.0 -7.0 39 62 A Q H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.862 108.0 51.0 -65.8 -37.4 59.7 -21.2 -4.4 40 63 A A H X S+ 0 0 27 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.943 112.4 47.6 -61.3 -48.7 58.3 -18.1 -2.6 41 64 A Y H X S+ 0 0 17 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.929 110.5 51.7 -53.4 -50.7 57.0 -16.9 -5.9 42 65 A E H X S+ 0 0 55 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.879 107.5 51.8 -60.6 -41.0 55.4 -20.3 -6.7 43 66 A L H X S+ 0 0 101 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.934 113.5 44.6 -58.8 -48.5 53.6 -20.4 -3.3 44 67 A W H X S+ 0 0 94 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.873 108.3 57.6 -62.9 -38.7 52.2 -17.0 -4.0 45 68 A F H X S+ 0 0 13 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.920 106.0 50.8 -55.5 -44.7 51.3 -18.0 -7.6 46 69 A K H X S+ 0 0 138 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.841 109.9 49.7 -60.5 -37.6 49.2 -20.9 -6.1 47 70 A Q H X S+ 0 0 66 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.907 109.9 50.5 -67.7 -44.0 47.5 -18.4 -3.8 48 71 A I H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.944 111.8 47.4 -59.4 -49.9 46.7 -16.1 -6.7 49 72 A I H X S+ 0 0 18 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.916 111.7 51.9 -53.8 -46.6 45.3 -19.0 -8.7 50 73 A F H X S+ 0 0 143 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.876 113.3 43.1 -61.5 -41.3 43.2 -20.0 -5.6 51 74 A E H X S+ 0 0 5 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.917 114.7 51.2 -68.6 -43.5 41.8 -16.5 -5.2 52 75 A F H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 3,-0.4 0.925 108.7 49.9 -58.6 -50.6 41.2 -16.2 -9.0 53 76 A D H X S+ 0 0 43 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.885 109.9 50.8 -57.8 -41.5 39.3 -19.5 -9.2 54 77 A S H X S+ 0 0 22 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.790 111.8 47.8 -69.4 -27.8 37.0 -18.6 -6.3 55 78 A I H X S+ 0 0 2 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.858 109.1 54.0 -77.6 -38.3 36.3 -15.3 -8.0 56 79 A R H X S+ 0 0 25 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.933 109.4 48.1 -56.9 -47.3 35.6 -17.1 -11.3 57 80 A D H < S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.0 49.1 -63.8 -37.0 33.1 -19.4 -9.6 58 81 A M H < S+ 0 0 42 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.7 47.0 -72.1 -35.3 31.3 -16.4 -7.9 59 82 A L H < S+ 0 0 5 -4,-2.2 2,-2.4 1,-0.2 -2,-0.2 0.729 91.0 84.6 -78.2 -23.1 31.1 -14.5 -11.1 60 83 A D S < S+ 0 0 93 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 -0.371 79.0 87.0 -77.7 60.6 29.8 -17.5 -13.0 61 84 A A S S- 0 0 45 -2,-2.4 3,-0.1 1,-0.1 -3,-0.0 -0.975 80.5-124.2-154.6 155.3 26.2 -16.8 -11.8 62 85 A E S S+ 0 0 161 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.836 98.4 45.6 -73.3 -34.5 23.3 -14.7 -13.1 63 86 A V - 0 0 112 -3,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.957 57.7-180.0-118.5 121.8 22.9 -12.7 -9.8 64 87 A I - 0 0 27 -2,-0.5 -5,-0.0 105,-0.1 -6,-0.0 -0.964 21.6-157.9-114.3 107.9 25.8 -11.2 -7.9 65 88 A D > - 0 0 72 -2,-0.6 4,-1.8 1,-0.1 5,-0.1 -0.160 33.2 -96.6 -78.1 177.2 24.5 -9.4 -4.8 66 89 A E H > S+ 0 0 152 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.820 122.3 55.0 -61.2 -34.1 26.1 -6.6 -2.8 67 90 A T H > S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.917 109.8 42.9 -68.8 -47.4 27.4 -9.1 -0.3 68 91 A K H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.813 108.8 61.2 -68.9 -31.2 29.3 -11.3 -2.8 69 92 A T H X S+ 0 0 11 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.938 103.3 49.6 -57.4 -49.3 30.5 -8.1 -4.5 70 93 A L H X S+ 0 0 91 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.881 108.7 52.8 -57.6 -41.7 32.3 -7.1 -1.2 71 94 A E H X S+ 0 0 53 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.888 110.4 47.5 -63.3 -39.6 33.9 -10.6 -1.0 72 95 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.936 110.2 51.6 -65.3 -48.5 35.2 -10.3 -4.6 73 96 A V H X S+ 0 0 17 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.930 110.0 51.1 -51.4 -49.2 36.6 -6.8 -3.9 74 97 A K H X S+ 0 0 105 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.910 112.1 45.2 -54.6 -47.9 38.4 -8.2 -0.8 75 98 A R H X S+ 0 0 57 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.857 113.2 49.0 -72.3 -34.9 40.0 -11.0 -2.8 76 99 A L H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.903 111.2 51.2 -66.4 -40.7 41.0 -8.8 -5.7 77 100 A N H X S+ 0 0 73 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.842 107.6 53.3 -63.1 -35.6 42.5 -6.4 -3.1 78 101 A R H X S+ 0 0 99 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.903 107.4 50.7 -65.1 -43.0 44.4 -9.3 -1.6 79 102 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.873 106.2 56.2 -62.4 -38.5 45.8 -10.2 -5.0 80 103 A V H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.961 108.7 46.3 -57.1 -52.6 47.0 -6.6 -5.4 81 104 A L H X S+ 0 0 100 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.895 112.3 50.0 -57.7 -45.2 48.9 -6.8 -2.2 82 105 A I H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.932 110.2 51.7 -59.6 -44.6 50.5 -10.2 -3.1 83 106 A L H X S+ 0 0 15 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.885 106.9 52.0 -61.1 -42.1 51.5 -8.7 -6.5 84 107 A K H X S+ 0 0 109 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.910 110.3 50.3 -57.6 -43.3 53.2 -5.7 -4.9 85 108 A L H X S+ 0 0 80 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.896 109.3 50.2 -61.3 -43.2 55.1 -8.1 -2.7 86 109 A L H >X S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.868 107.4 53.7 -66.4 -37.0 56.1 -10.2 -5.8 87 110 A V H >< S+ 0 0 15 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.910 109.6 49.6 -58.2 -42.8 57.3 -7.0 -7.5 88 111 A D H 3< S+ 0 0 111 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.523 96.1 70.9 -77.0 -9.2 59.5 -6.3 -4.5 89 112 A Q H XX S+ 0 0 24 -3,-0.7 4,-1.2 -4,-0.6 3,-1.0 0.773 83.1 73.2 -76.6 -25.3 61.0 -9.8 -4.4 90 113 A V H < S+ 0 0 12 -4,-1.2 3,-2.3 -3,-0.4 -1,-0.2 0.841 103.6 69.1 -70.6 -33.2 67.5 -11.9 -6.3 94 117 A E T 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.539 83.9 77.2 -59.8 -4.9 69.2 -9.0 -8.0 95 118 A T T < S+ 0 0 105 -3,-0.9 2,-0.4 -5,-0.2 -1,-0.3 0.592 73.7 90.2 -86.7 -13.3 71.6 -9.2 -5.1 96 119 A M S < S- 0 0 4 -3,-2.3 -3,-0.0 -66,-0.1 3,-0.0 -0.704 84.6-118.6 -81.7 132.4 73.3 -12.3 -6.6 97 120 A T >> - 0 0 70 -2,-0.4 4,-1.9 1,-0.1 3,-0.5 -0.424 13.9-122.3 -71.1 147.6 76.3 -11.4 -8.8 98 121 A P H 3> S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.919 113.0 55.7 -51.1 -49.2 76.3 -12.3 -12.5 99 122 A L H 3> S+ 0 0 131 1,-0.2 4,-0.9 2,-0.2 197,-0.0 0.784 107.3 49.1 -57.0 -32.5 79.5 -14.3 -12.1 100 123 A D H <4 S+ 0 0 57 -3,-0.5 -1,-0.2 2,-0.2 3,-0.2 0.873 110.3 50.4 -73.9 -38.4 77.9 -16.4 -9.3 101 124 A F H >X S+ 0 0 9 -4,-1.9 3,-1.5 1,-0.2 4,-1.2 0.876 104.8 58.7 -65.5 -37.0 74.9 -17.1 -11.5 102 125 A M H 3< S+ 0 0 72 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.838 96.0 64.0 -59.5 -35.2 77.2 -18.2 -14.3 103 126 A D T 3< S+ 0 0 100 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.463 118.0 22.6 -73.9 -2.9 78.7 -20.9 -12.1 104 127 A F T X4 S+ 0 0 1 -3,-1.5 3,-1.2 -4,-0.2 -1,-0.2 0.396 92.0 94.6-140.3 2.0 75.4 -22.8 -11.8 105 128 A R G >< S+ 0 0 41 -4,-1.2 3,-1.6 1,-0.2 -2,-0.1 0.725 73.6 75.0 -67.7 -20.5 73.2 -21.9 -14.8 106 129 A K G 3 S+ 0 0 131 -4,-0.4 -1,-0.2 1,-0.3 -3,-0.1 0.780 83.5 66.1 -60.9 -28.1 74.5 -24.9 -16.6 107 130 A Y G < S+ 0 0 57 -3,-1.2 2,-0.4 2,-0.1 -1,-0.3 0.324 94.3 80.7 -75.5 10.0 72.3 -27.1 -14.4 108 131 A L S < S- 0 0 52 -3,-1.6 6,-0.0 2,-0.0 4,-0.0 -0.961 84.8-114.0-127.1 134.9 69.3 -25.5 -16.1 109 132 A A > - 0 0 46 -2,-0.4 4,-1.6 1,-0.1 -2,-0.1 -0.416 36.2-116.2 -63.3 135.7 67.5 -26.0 -19.5 110 133 A P T 4 S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.784 99.3 -6.6 -47.7 -47.4 67.9 -23.0 -21.8 111 134 A A T >4 S+ 0 0 46 2,-0.0 3,-0.8 32,-0.0 4,-0.3 0.597 133.8 59.3-121.4 -26.9 64.2 -22.0 -22.0 112 135 A S G >4 S+ 0 0 84 1,-0.2 3,-0.6 2,-0.2 33,-0.0 0.767 97.3 61.9 -75.6 -28.5 62.4 -24.8 -20.2 113 136 A G G 3< S+ 0 0 31 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.0 0.323 108.5 43.4 -80.8 8.0 64.3 -24.2 -16.9 114 137 A F G < S+ 0 0 96 -3,-0.8 2,-0.5 -6,-0.0 -1,-0.2 0.400 88.5 99.4-129.7 -4.7 62.8 -20.7 -16.7 115 138 A Q < - 0 0 62 -3,-0.6 2,-0.5 -4,-0.3 -4,-0.0 -0.779 57.4-150.6 -96.9 127.5 59.1 -21.2 -17.6 116 139 A S > - 0 0 24 -2,-0.5 4,-1.7 1,-0.2 5,-0.1 -0.833 9.6-157.3-100.9 123.9 56.5 -21.4 -14.9 117 140 A L H > S+ 0 0 56 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.946 95.8 50.4 -56.1 -50.7 53.4 -23.4 -15.3 118 141 A Q H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 106.2 53.8 -63.5 -38.6 51.5 -21.4 -12.6 119 142 A F H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 109.1 49.1 -59.6 -46.6 52.4 -18.0 -14.1 120 143 A R H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.880 109.8 53.0 -59.9 -38.9 51.0 -19.1 -17.5 121 144 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.870 107.3 51.5 -62.6 -38.8 47.9 -20.3 -15.6 122 145 A I H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.942 108.4 51.5 -63.0 -49.6 47.5 -16.9 -13.9 123 146 A E H X>S+ 0 0 9 -4,-2.3 5,-2.9 2,-0.2 4,-2.5 0.897 115.1 41.5 -50.9 -49.0 47.7 -15.1 -17.3 124 147 A N H <5S+ 0 0 6 -4,-2.0 38,-0.2 3,-0.2 -2,-0.2 0.912 113.5 51.2 -71.4 -43.1 45.0 -17.3 -18.9 125 148 A K H <5S+ 0 0 23 -4,-2.6 37,-2.7 1,-0.2 -2,-0.2 0.836 113.2 46.9 -63.8 -33.8 42.7 -17.2 -15.8 126 149 A L H <5S- 0 0 2 -4,-2.5 37,-1.0 35,-0.2 -2,-0.2 0.932 128.8 -98.5 -70.4 -48.3 43.0 -13.4 -15.8 127 150 A G T <5 + 0 0 3 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.2 0.548 57.0 163.4 141.5 16.0 42.3 -13.3 -19.5 128 151 A V < - 0 0 13 -5,-2.9 2,-0.2 -6,-0.1 -1,-0.1 -0.443 39.5-131.1 -58.5 116.5 45.5 -13.0 -21.7 129 152 A L >> - 0 0 59 -2,-0.3 3,-0.7 191,-0.3 4,-0.6 -0.547 2.4-136.0 -75.3 136.1 44.2 -14.0 -25.2 130 153 A T G >4 S+ 0 0 45 1,-0.2 3,-1.1 -2,-0.2 -1,-0.1 0.886 104.3 53.1 -59.9 -42.8 46.3 -16.6 -27.0 131 154 A E G 34 S+ 0 0 123 1,-0.2 -1,-0.2 -3,-0.0 7,-0.0 0.735 102.4 60.7 -66.2 -22.3 46.2 -14.7 -30.4 132 155 A Q G <4 S+ 0 0 28 -3,-0.7 -1,-0.2 188,-0.1 -2,-0.2 0.665 86.9 95.9 -78.1 -18.2 47.4 -11.5 -28.6 133 156 A R S << S- 0 0 2 -3,-1.1 5,-0.1 -4,-0.6 183,-0.0 -0.369 84.5-103.2 -70.3 151.2 50.7 -13.3 -27.6 134 157 A V - 0 0 23 178,-0.1 3,-0.3 1,-0.1 -1,-0.1 -0.308 35.0-102.5 -71.3 162.0 53.8 -12.9 -29.7 135 158 A R S > S+ 0 0 205 1,-0.2 3,-1.1 2,-0.1 4,-0.4 0.805 108.8 71.3 -54.3 -38.4 55.0 -15.7 -32.1 136 159 A Y T 3 S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.909 116.9 10.3 -49.9 -66.3 57.7 -16.9 -29.7 137 160 A N T 3 S+ 0 0 16 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.296 91.3 120.0-112.5 47.6 55.7 -18.6 -26.9 138 161 A Q < + 0 0 32 -3,-1.1 2,-0.5 1,-0.1 -1,-0.1 0.936 65.6 55.8 -76.8 -50.3 52.3 -18.6 -28.4 139 162 A K S >> S- 0 0 146 -4,-0.4 3,-0.8 -3,-0.2 4,-0.7 -0.778 73.1-149.7 -90.0 125.3 51.5 -22.3 -28.4 140 163 A Y H 3> S+ 0 0 35 -2,-0.5 4,-3.0 1,-0.2 -1,-0.1 0.712 92.3 67.3 -68.1 -24.4 51.8 -23.9 -25.0 141 164 A S H 34 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.2 9,-0.1 0.860 100.0 50.6 -63.1 -37.8 52.9 -27.3 -26.4 142 165 A D H <4 S+ 0 0 127 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.763 116.0 43.3 -68.1 -28.4 56.2 -25.6 -27.5 143 166 A V H < S+ 0 0 12 -4,-0.7 2,-0.4 1,-0.2 -2,-0.2 0.939 119.7 33.9 -83.8 -54.6 56.7 -24.2 -24.1 144 167 A F < - 0 0 25 -4,-3.0 -1,-0.2 1,-0.1 -32,-0.0 -0.904 53.2-176.2-112.0 130.8 55.8 -27.1 -21.8 145 168 A S + 0 0 104 -2,-0.4 -1,-0.1 -3,-0.1 -4,-0.1 0.712 54.0 103.1 -94.9 -25.0 56.4 -30.8 -22.7 146 169 A D > - 0 0 97 1,-0.1 4,-1.1 2,-0.0 -2,-0.1 -0.140 66.7-138.3 -59.1 154.8 54.8 -32.4 -19.6 147 170 A E H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.889 99.4 48.6 -85.6 -44.3 51.3 -34.0 -20.0 148 171 A E H > S+ 0 0 158 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.824 111.5 53.5 -65.2 -33.0 49.6 -32.8 -16.8 149 172 A A H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.941 105.7 51.8 -64.4 -50.4 50.8 -29.3 -17.5 150 173 A R H X S+ 0 0 68 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.862 108.4 52.5 -54.5 -40.8 49.3 -29.3 -21.1 151 174 A N H X S+ 0 0 83 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.862 109.6 48.1 -65.5 -38.6 45.9 -30.4 -19.6 152 175 A S H X S+ 0 0 52 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.910 113.4 46.5 -68.1 -44.6 45.9 -27.6 -17.1 153 176 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.898 112.0 51.0 -65.7 -42.3 46.8 -24.9 -19.7 154 177 A R H X S+ 0 0 91 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.924 111.8 48.5 -58.5 -45.8 44.2 -26.3 -22.1 155 178 A N H X S+ 0 0 72 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.837 109.6 52.1 -62.2 -36.4 41.6 -26.1 -19.3 156 179 A S H < S+ 0 0 5 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.845 111.7 46.9 -69.7 -35.4 42.6 -22.5 -18.5 157 180 A E H < S+ 0 0 60 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.896 117.6 40.3 -71.5 -43.9 42.2 -21.4 -22.1 158 181 A K H < S+ 0 0 162 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.897 101.3 81.4 -75.9 -42.8 38.8 -23.1 -22.6 159 182 A D S < S- 0 0 66 -4,-2.2 2,-0.2 -5,-0.2 0, 0.0 -0.235 101.8 -81.3 -62.6 152.8 37.3 -22.3 -19.2 160 183 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.390 49.8-141.6 -64.2 122.6 35.8 -18.8 -18.7 161 184 A S > - 0 0 9 -2,-0.2 4,-2.2 -4,-0.2 5,-0.2 -0.232 25.4-105.6 -75.6 169.1 38.5 -16.2 -18.0 162 185 A L H > S+ 0 0 1 -37,-2.7 4,-1.8 1,-0.2 -35,-0.2 0.833 123.2 56.5 -63.9 -32.0 38.2 -13.4 -15.5 163 186 A L H > S+ 0 0 6 -37,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.933 108.2 45.3 -63.2 -49.9 37.9 -11.1 -18.6 164 187 A E H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.936 114.1 47.3 -58.5 -51.1 34.9 -13.0 -20.0 165 188 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.819 110.0 52.4 -68.2 -33.2 33.0 -13.2 -16.7 166 189 A V H X S+ 0 0 2 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.896 108.1 53.0 -66.3 -40.8 33.6 -9.5 -15.8 167 190 A Q H X S+ 0 0 28 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.940 109.1 47.7 -57.8 -50.4 32.2 -8.6 -19.3 168 191 A R H X S+ 0 0 86 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.878 113.4 48.7 -58.7 -40.5 29.0 -10.7 -18.7 169 192 A W H < S+ 0 0 20 -4,-1.9 4,-0.4 1,-0.2 3,-0.3 0.892 110.4 51.5 -65.0 -41.4 28.7 -9.0 -15.2 170 193 A L H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.837 105.3 56.2 -62.7 -37.0 29.2 -5.6 -16.9 171 194 A E H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.803 106.0 51.1 -65.3 -31.2 26.4 -6.4 -19.4 172 195 A R T 3< S+ 0 0 101 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.487 77.3 132.2 -87.9 -4.9 23.8 -7.1 -16.7 173 196 A T X - 0 0 11 -3,-0.8 3,-1.3 -4,-0.4 2,-0.2 -0.214 63.6-112.5 -56.5 131.5 24.4 -3.9 -14.7 174 197 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.479 98.7 51.3 -68.9 131.7 21.1 -2.1 -13.8 175 198 A G T 3 S+ 0 0 4 -2,-0.2 8,-2.6 -3,-0.1 9,-0.2 0.001 84.8 83.9 127.3 -25.5 20.7 1.3 -15.6 176 199 A L < + 0 0 6 -3,-1.3 2,-0.5 6,-0.2 3,-0.1 0.388 65.3 121.1 -81.1 2.0 21.4 0.0 -19.1 177 200 A E > - 0 0 83 1,-0.2 5,-2.1 -4,-0.1 3,-0.1 -0.586 53.9-159.6 -77.2 116.1 17.7 -0.9 -19.2 178 201 A E T 5S+ 0 0 110 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.880 99.3 49.3 -56.9 -41.5 15.7 0.8 -21.9 179 202 A S T 5S+ 0 0 114 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.801 124.5 28.9 -66.4 -33.1 12.6 0.0 -19.9 180 203 A G T 5S- 0 0 43 -3,-0.1 165,-0.1 0, 0.0 -2,-0.1 0.569 133.2 -17.7 -97.7-117.6 14.2 1.5 -16.8 181 204 A F T 5 - 0 0 8 163,-0.0 -3,-0.2 1,-0.0 5,-0.1 0.784 69.3-156.4 -69.5 -31.1 16.9 4.2 -16.4 182 205 A N >< + 0 0 54 -5,-2.1 4,-1.7 3,-0.1 -6,-0.2 0.952 19.9 173.8 52.7 63.9 18.0 4.0 -20.0 183 206 A F H > + 0 0 0 -8,-2.6 4,-2.9 2,-0.2 5,-0.2 0.887 68.4 57.0 -70.0 -42.8 21.6 5.4 -19.5 184 207 A W H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 111.0 43.8 -58.9 -43.8 23.0 4.9 -23.0 185 208 A A H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 115.1 47.7 -65.8 -49.2 20.2 7.0 -24.6 186 209 A K H X S+ 0 0 88 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.855 111.2 53.9 -58.3 -37.6 20.4 9.7 -21.9 187 210 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.951 107.8 47.5 -63.2 -53.5 24.2 9.7 -22.3 188 211 A Q H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.914 112.4 51.4 -50.9 -49.4 24.1 10.3 -26.1 189 212 A E H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.905 111.0 45.9 -56.8 -47.9 21.5 13.1 -25.6 190 213 A S H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.768 108.9 56.3 -71.9 -27.2 23.6 14.9 -23.0 191 214 A V H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.933 109.6 46.6 -64.1 -47.4 26.8 14.5 -25.2 192 215 A D H X S+ 0 0 74 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.946 115.6 45.0 -57.2 -52.1 24.9 16.3 -28.0 193 216 A R H X S+ 0 0 143 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.884 115.2 47.1 -61.0 -43.5 23.6 19.0 -25.7 194 217 A F H X S+ 0 0 57 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.914 114.4 46.6 -66.0 -44.9 27.0 19.5 -24.0 195 218 A L H X S+ 0 0 6 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.899 110.6 52.6 -64.9 -42.5 28.9 19.6 -27.4 196 219 A E H X S+ 0 0 111 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.948 109.3 49.5 -54.2 -51.3 26.3 22.0 -28.8 197 220 A A H X S+ 0 0 57 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.809 109.0 54.1 -57.9 -31.8 26.8 24.3 -25.9 198 221 A Q H X S+ 0 0 62 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.865 105.0 52.2 -72.7 -38.5 30.6 24.0 -26.4 199 222 A V H X S+ 0 0 28 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.937 110.3 48.3 -61.6 -47.9 30.4 25.1 -30.1 200 223 A Q H X S+ 0 0 106 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.887 111.5 49.4 -61.7 -42.8 28.4 28.3 -29.2 201 224 A S H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 111.8 49.9 -63.8 -36.2 30.8 29.2 -26.4 202 225 A A H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.859 105.9 55.4 -70.9 -37.3 33.7 28.7 -28.9 203 226 A M H 3< S+ 0 0 96 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0 153 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.915 112.7 46.9 -60.2 -45.2 41.7 25.4 -31.2 214 237 A R H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.845 113.0 48.9 -67.0 -35.6 38.4 24.9 -29.4 215 238 A L H X S+ 0 0 50 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.901 112.5 47.6 -70.4 -42.7 36.6 24.1 -32.7 216 239 A M H X S+ 0 0 77 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.889 112.8 50.5 -60.6 -42.4 39.3 21.6 -33.7 217 240 A D H X S+ 0 0 71 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.907 107.2 51.8 -64.3 -45.8 39.1 20.1 -30.1 218 241 A I H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.843 109.1 52.1 -59.0 -35.5 35.3 19.7 -30.3 219 242 A E H X S+ 0 0 117 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.906 108.1 50.2 -68.4 -42.1 35.7 17.9 -33.6 220 243 A K H X S+ 0 0 132 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.806 109.0 53.7 -63.7 -30.4 38.2 15.5 -32.0 221 244 A R H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.871 104.1 54.3 -70.0 -39.1 35.7 15.0 -29.2 222 245 A R H X S+ 0 0 95 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.886 106.9 51.8 -60.9 -39.8 33.0 14.0 -31.8 223 246 A 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256 A V H <> S+ 0 0 27 -3,-1.1 4,-1.6 -7,-0.3 -1,-0.2 0.884 113.5 49.5 -66.1 -40.1 33.3 1.5 -35.0 234 257 A H H X S+ 0 0 0 -4,-1.6 4,-1.7 -8,-0.2 3,-0.2 0.943 108.6 50.7 -63.1 -50.9 33.6 -0.3 -31.7 235 258 A D H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.824 108.5 53.9 -59.0 -33.6 33.5 -3.8 -33.1 236 259 A A H X S+ 0 0 33 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.898 107.1 50.3 -65.1 -42.6 36.3 -2.7 -35.5 237 260 A L H <>S+ 0 0 31 -4,-1.6 5,-1.8 1,-0.2 6,-1.6 0.781 109.8 51.9 -67.5 -28.9 38.4 -1.6 -32.6 238 261 A V H ><5S+ 0 0 49 -4,-1.7 3,-0.9 4,-0.2 -2,-0.2 0.930 107.2 52.4 -68.8 -47.5 37.8 -4.9 -30.9 239 262 A R H 3<5S+ 0 0 202 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.843 110.6 45.8 -60.9 -39.2 38.9 -6.9 -34.0 240 263 A R T 3<5S- 0 0 166 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.566 119.0-111.2 -82.3 -9.4 42.2 -5.1 -34.4 241 264 A G T < 5S+ 0 0 12 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.566 86.3 117.5 94.4 11.3 42.9 -5.5 -30.6 242 265 A D S - 0 0 34 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.354 39.0-102.5 -65.4 162.3 31.8 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