==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/INHIBITOR 27-JUL-12 3VVR . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Y.TANAKA,R.ISHITANI,O.NUREKI . 451 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 82.0 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 . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 2 3 0 1 1 0 2 1 0 0 0 0 2 0 0 2 0 0 1 1 1 0 2 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 4 A K 0 0 124 0, 0.0 2,-0.3 0, 0.0 220,-0.0 0.000 360.0 360.0 360.0 56.6 56.7 -2.0 9.1 2 5 A T - 0 0 59 4,-0.0 2,-0.0 5,-0.0 219,-0.0 -0.827 360.0-159.5-155.0 110.8 54.0 -4.7 8.9 3 6 A T > - 0 0 42 -2,-0.3 4,-1.4 157,-0.1 3,-0.2 -0.246 34.9-102.3 -85.6 175.1 52.5 -6.6 11.9 4 7 A K H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.899 119.5 55.2 -63.9 -42.4 50.7 -9.9 12.0 5 8 A G H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.812 104.9 53.8 -61.3 -32.1 47.3 -8.3 12.3 6 9 A V H > S+ 0 0 1 -3,-0.2 4,-3.6 2,-0.2 -1,-0.2 0.876 106.6 51.2 -70.0 -38.7 47.9 -6.3 9.1 7 10 A Q H < S+ 0 0 126 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.783 111.0 48.8 -70.9 -29.0 48.8 -9.5 7.2 8 11 A L H >< S+ 0 0 32 -4,-1.6 3,-0.9 1,-0.1 -2,-0.2 0.942 114.7 44.8 -68.6 -51.2 45.5 -11.0 8.4 9 12 A L H 3< S+ 0 0 1 -4,-2.4 2,-1.1 1,-0.3 -2,-0.2 0.928 114.5 49.1 -58.6 -49.8 43.6 -7.9 7.4 10 13 A R T 3< S+ 0 0 57 -4,-3.6 -1,-0.3 -5,-0.1 2,-0.2 -0.317 112.9 59.1 -85.4 50.0 45.4 -7.7 4.0 11 14 A G S < S- 0 0 29 -2,-1.1 -3,-0.1 -3,-0.9 5,-0.0 -0.636 101.0 -13.7-147.6-154.4 44.7 -11.4 3.3 12 15 A D > - 0 0 98 -2,-0.2 4,-2.0 1,-0.2 3,-0.3 -0.434 54.0-145.3 -59.6 120.5 42.0 -14.0 2.9 13 16 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.814 98.0 54.6 -61.0 -34.1 38.8 -12.5 4.2 14 17 A K H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.889 110.2 45.8 -66.5 -40.9 37.5 -15.8 5.5 15 18 A K H > S+ 0 0 108 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.842 113.7 50.8 -68.2 -34.5 40.7 -16.3 7.5 16 19 A A H X S+ 0 0 1 -4,-2.0 4,-0.8 -8,-0.2 5,-0.3 0.875 105.4 54.8 -72.9 -39.7 40.4 -12.7 8.7 17 20 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.917 115.9 37.5 -58.8 -45.3 36.8 -13.0 9.8 18 21 A V H X S+ 0 0 42 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.969 113.7 49.8 -75.5 -55.7 37.5 -15.9 12.1 19 22 A R H < S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.549 118.7 41.4 -69.2 -7.1 40.9 -15.2 13.6 20 23 A L H X S+ 0 0 4 -4,-0.8 4,-0.9 -5,-0.1 -1,-0.2 0.736 112.8 52.5-100.5 -35.5 39.7 -11.7 14.6 21 24 A S H X S+ 0 0 2 -4,-1.5 4,-3.5 -5,-0.3 3,-0.3 0.907 100.3 60.5 -68.4 -45.5 36.2 -12.6 15.8 22 25 A I H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.913 107.0 43.0 -53.2 -51.7 37.2 -15.3 18.3 23 26 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.792 116.3 51.5 -69.3 -21.0 39.4 -13.2 20.5 24 27 A M H X S+ 0 0 4 -4,-0.9 4,-3.5 -3,-0.3 5,-0.3 0.947 109.0 47.5 -74.2 -50.8 36.7 -10.5 20.3 25 28 A M H X S+ 0 0 32 -4,-3.5 4,-1.9 2,-0.2 -3,-0.2 0.874 113.6 51.1 -54.7 -39.7 33.8 -12.8 21.3 26 29 A I H X S+ 0 0 72 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.978 112.7 44.2 -59.3 -57.6 36.1 -14.0 24.1 27 30 A G H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.881 114.1 49.6 -55.4 -44.3 36.7 -10.5 25.3 28 31 A M H X S+ 0 0 8 -4,-3.5 4,-0.8 1,-0.2 -1,-0.2 0.855 115.0 45.9 -63.3 -34.7 33.1 -9.5 24.9 29 32 A S H X S+ 0 0 45 -4,-1.9 4,-1.8 -5,-0.3 3,-0.4 0.898 105.6 55.9 -78.7 -42.9 32.0 -12.6 26.9 30 33 A V H X S+ 0 0 36 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.831 108.1 51.3 -60.3 -31.2 34.6 -12.3 29.8 31 34 A Q H X S+ 0 0 2 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.3 0.790 104.8 55.4 -76.4 -28.2 33.2 -8.8 30.5 32 35 A T H X S+ 0 0 14 -4,-0.8 4,-1.3 -3,-0.4 -2,-0.2 0.850 100.0 61.0 -69.4 -33.7 29.7 -10.2 30.5 33 36 A L H X S+ 0 0 101 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.833 101.6 54.0 -59.0 -33.3 30.9 -12.6 33.2 34 37 A Y H X S+ 0 0 5 -4,-0.8 4,-3.1 2,-0.2 5,-0.5 0.943 102.1 55.6 -64.7 -48.7 31.7 -9.5 35.3 35 38 A N H X S+ 0 0 28 -4,-1.4 4,-0.7 1,-0.3 -1,-0.2 0.784 108.5 49.7 -56.2 -29.2 28.2 -8.1 34.9 36 39 A L H X S+ 0 0 75 -4,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.856 113.0 46.1 -76.7 -38.1 26.9 -11.4 36.4 37 40 A A H >X S+ 0 0 19 -4,-1.6 4,-2.0 2,-0.2 3,-1.5 0.988 116.9 41.8 -65.5 -59.3 29.4 -11.2 39.3 38 41 A D H 3X S+ 0 0 16 -4,-3.1 4,-1.4 1,-0.3 -1,-0.2 0.755 111.6 61.5 -60.0 -22.9 28.7 -7.5 40.1 39 42 A G H 3X S+ 0 0 41 -4,-0.7 4,-0.5 -5,-0.5 -1,-0.3 0.791 109.5 37.9 -70.9 -30.6 25.1 -8.5 39.5 40 43 A I H < S+ 0 0 11 -4,-1.4 3,-0.7 -5,-0.2 4,-0.4 0.822 103.8 65.7 -67.7 -31.6 25.1 -5.9 44.6 43 46 A S H >< S+ 0 0 61 -4,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.895 100.3 48.2 -57.9 -45.1 21.9 -7.9 45.0 44 47 A G H 3< S+ 0 0 59 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.644 91.3 81.2 -74.1 -15.3 22.6 -9.1 48.5 45 48 A L T << S- 0 0 48 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.749 104.5-105.5 -63.5 -25.3 23.5 -5.5 49.6 46 49 A G <> - 0 0 21 -3,-1.0 4,-1.1 -4,-0.4 3,-0.3 -0.582 32.3 -65.8 124.9 173.9 19.8 -4.8 50.0 47 50 A P H > S+ 0 0 122 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.838 124.9 56.5 -66.6 -35.5 16.9 -2.9 48.4 48 51 A E H 4 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 84,-0.2 0.770 105.2 50.9 -70.7 -28.1 18.5 0.6 49.1 49 52 A S H >> S+ 0 0 18 -3,-0.3 4,-1.2 1,-0.2 3,-0.6 0.822 105.2 54.2 -80.6 -33.0 21.7 -0.2 47.2 50 53 A L H 3X S+ 0 0 54 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.693 100.3 63.8 -73.4 -18.8 20.1 -1.5 44.0 51 54 A A H 3X S+ 0 0 58 -4,-0.7 4,-0.6 2,-0.2 -1,-0.2 0.737 102.9 47.3 -76.7 -23.8 18.2 1.8 43.8 52 55 A A H <> S+ 0 0 0 -3,-0.6 4,-0.9 -4,-0.4 -2,-0.2 0.814 112.6 48.9 -83.6 -34.1 21.4 3.7 43.4 53 56 A V H < S+ 0 0 36 -4,-1.2 3,-0.4 2,-0.2 -2,-0.2 0.934 110.2 49.7 -69.6 -48.0 22.7 1.3 40.7 54 57 A G H < S+ 0 0 48 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.760 112.1 49.0 -63.6 -26.8 19.5 1.4 38.7 55 58 A L H < S+ 0 0 38 -4,-0.6 4,-0.4 1,-0.2 -1,-0.3 0.711 110.4 50.8 -82.9 -22.7 19.5 5.2 38.8 56 59 A F S X S+ 0 0 4 -4,-0.9 4,-1.1 -3,-0.4 -2,-0.2 0.304 90.5 87.5 -94.8 6.5 23.1 5.2 37.7 57 60 A F H > S+ 0 0 54 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.914 84.2 48.0 -72.6 -46.9 22.3 2.9 34.8 58 61 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.899 113.5 48.1 -64.0 -37.5 21.3 5.5 32.2 59 62 A V H > S+ 0 0 24 -4,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.816 114.4 46.7 -72.0 -30.0 24.4 7.6 32.8 60 63 A F H >X S+ 0 0 24 -4,-1.1 4,-1.0 2,-0.2 3,-0.6 0.960 115.6 43.1 -73.5 -52.9 26.6 4.6 32.6 61 64 A M H 3X S+ 0 0 19 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.779 112.0 58.6 -61.7 -26.6 25.0 3.2 29.4 62 65 A G H 3X S+ 0 0 19 -4,-1.6 4,-0.8 -5,-0.3 -1,-0.2 0.836 111.8 37.2 -72.0 -34.4 25.1 6.8 28.2 63 66 A I H S+ 0 0 54 -4,-1.8 5,-2.5 1,-0.2 3,-0.3 0.910 109.8 48.3 -67.2 -43.4 43.3 3.5 5.7 82 85 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.823 106.8 58.3 -67.8 -30.9 45.5 0.4 6.1 83 86 A G H 3<5S+ 0 0 2 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 104.4 50.9 -64.7 -34.3 43.5 -1.3 3.4 84 87 A A T 3<5S- 0 0 56 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.206 117.8-113.9 -89.2 15.6 44.5 1.5 1.0 85 88 A R T < 5 + 0 0 164 -3,-1.3 2,-1.0 1,-0.2 -3,-0.2 0.785 69.5 146.2 57.1 29.8 48.1 1.1 2.0 86 89 A D >< + 0 0 36 -5,-2.5 4,-2.3 1,-0.2 -1,-0.2 -0.741 14.5 162.0-102.9 86.2 48.0 4.6 3.5 87 90 A K H > S+ 0 0 46 -2,-1.0 4,-3.7 2,-0.2 5,-0.3 0.920 75.7 56.6 -66.0 -46.4 50.3 4.5 6.6 88 91 A E H > S+ 0 0 88 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.794 114.1 40.7 -59.5 -30.4 50.5 8.3 6.8 89 92 A G H > S+ 0 0 19 2,-0.2 4,-1.1 -8,-0.1 -1,-0.2 0.872 115.2 50.2 -81.8 -42.0 46.7 8.4 7.0 90 93 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.5 0.898 110.7 49.1 -63.6 -43.1 46.4 5.4 9.4 91 94 A D H X S+ 0 0 23 -4,-3.7 4,-1.1 1,-0.2 -1,-0.2 0.854 111.2 52.2 -62.0 -34.2 49.0 6.8 11.7 92 95 A N H X S+ 0 0 31 -4,-0.6 4,-1.3 -5,-0.3 -1,-0.2 0.625 103.4 55.2 -84.1 -16.4 47.1 10.2 11.7 93 96 A V H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.2 0.823 103.6 57.2 -79.0 -34.9 43.8 8.7 12.6 94 97 A A H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.899 111.1 41.7 -61.0 -42.7 45.3 7.1 15.7 95 98 A V H X S+ 0 0 9 -4,-1.1 4,-1.6 128,-0.2 -1,-0.2 0.894 112.1 55.5 -72.5 -39.4 46.5 10.5 17.0 96 99 A H H X S+ 0 0 8 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.841 108.9 47.0 -61.0 -36.5 43.2 12.1 16.0 97 100 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.810 106.6 58.1 -76.9 -30.1 41.2 9.7 18.0 98 101 A L H X S+ 0 0 21 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.847 109.2 44.5 -68.4 -35.0 43.5 10.0 21.0 99 102 A I H X S+ 0 0 59 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.862 111.9 52.9 -74.3 -37.8 42.8 13.8 21.2 100 103 A L H X S+ 0 0 23 -4,-1.5 4,-3.2 1,-0.2 5,-0.4 0.828 104.3 56.9 -64.6 -32.3 39.0 13.1 20.6 101 104 A S H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 5,-0.3 0.869 108.7 46.7 -66.5 -35.5 39.2 10.7 23.6 102 105 A L H X S+ 0 0 90 -4,-1.0 4,-1.8 3,-0.2 5,-0.4 0.919 117.0 43.1 -70.3 -46.1 40.5 13.5 25.7 103 106 A I H X S+ 0 0 96 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.970 121.1 38.3 -63.8 -57.6 37.9 16.0 24.5 104 107 A L H X S+ 0 0 43 -4,-3.2 4,-1.7 2,-0.2 -3,-0.2 0.918 119.2 49.5 -60.7 -45.1 34.9 13.6 24.6 105 108 A G H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.4 3,-0.3 0.966 114.2 38.3 -61.5 -62.0 36.0 11.9 27.8 106 109 A V H X S+ 0 0 59 -4,-1.8 4,-2.7 -5,-0.3 5,-0.3 0.862 112.4 59.1 -62.5 -37.9 36.8 14.9 30.1 107 110 A T H X S+ 0 0 65 -4,-1.7 4,-2.1 -5,-0.4 5,-0.3 0.900 101.4 55.3 -56.4 -42.4 33.8 16.8 28.7 108 111 A I H X S+ 0 0 16 -4,-1.7 4,-1.7 -3,-0.3 5,-0.3 0.882 110.9 46.7 -57.1 -37.9 31.6 14.0 29.9 109 112 A T H X S+ 0 0 22 -4,-1.2 4,-2.3 -3,-0.2 -2,-0.2 0.968 115.8 41.0 -69.1 -53.4 33.0 14.5 33.4 110 113 A I H < S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.664 118.6 47.2 -75.2 -16.9 32.7 18.2 33.6 111 114 A T H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.3 4,-0.2 0.868 118.4 37.3 -86.5 -41.3 29.3 18.3 32.0 112 115 A M H >X S+ 0 0 61 -4,-1.7 3,-1.3 -5,-0.3 4,-0.9 0.848 102.3 70.3 -84.5 -35.7 27.7 15.6 34.0 113 116 A L G >< S+ 0 0 64 -4,-2.3 3,-0.8 -5,-0.3 4,-0.4 0.892 104.2 40.0 -50.9 -50.3 29.2 16.1 37.5 114 117 A P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.593 120.2 48.2 -78.5 -3.7 27.4 19.4 38.3 115 118 A A G <> S+ 0 0 39 -3,-1.3 4,-1.1 -4,-0.2 3,-0.3 0.393 89.5 82.5-109.9 -1.4 24.2 18.0 36.7 116 119 A I H S+ 0 0 70 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.648 110.6 46.1 -87.4 -16.1 22.6 15.9 41.7 118 121 A S H > S+ 0 0 63 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.695 101.2 67.7 -93.0 -25.0 19.7 17.4 39.8 119 122 A L H X S+ 0 0 50 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.903 103.6 44.4 -59.0 -43.9 19.2 14.2 37.7 120 123 A F H X>S+ 0 0 23 -4,-0.8 5,-2.4 2,-0.2 4,-0.9 0.928 113.5 48.9 -68.0 -47.0 18.2 12.3 40.8 121 124 A R H <5S+ 0 0 68 -4,-0.7 -2,-0.2 3,-0.2 -1,-0.2 0.837 108.5 55.0 -63.1 -34.1 15.9 15.0 42.1 122 125 A S H <5S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 107.5 49.3 -65.5 -37.3 14.2 15.3 38.7 123 126 A M H <5S- 0 0 117 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.652 128.7-101.8 -75.9 -16.2 13.5 11.5 38.8 124 127 A G T <5 + 0 0 63 -4,-0.9 -3,-0.2 -3,-0.2 -2,-0.1 0.753 57.0 174.2 101.4 32.0 12.0 12.1 42.3 125 128 A A < - 0 0 36 -5,-2.4 -1,-0.2 1,-0.1 -5,-0.0 -0.372 32.2-133.3 -71.3 149.2 14.8 10.9 44.5 126 129 A K - 0 0 88 -2,-0.1 -1,-0.1 1,-0.1 -5,-0.0 0.978 31.5-123.9 -67.4 -59.1 14.4 11.3 48.3 127 130 A G S S+ 0 0 54 -7,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.024 98.7 39.3 135.7 -26.8 17.8 12.7 49.2 128 131 A E S > S+ 0 0 88 2,-0.1 3,-0.7 3,-0.1 4,-0.1 0.637 113.5 50.6-117.3 -34.4 19.1 10.2 51.8 129 132 A A T 3 S+ 0 0 63 1,-0.2 3,-0.3 2,-0.1 -78,-0.1 0.904 123.8 31.6 -70.1 -43.5 17.8 7.0 50.4 130 133 A V T 3> S+ 0 0 21 1,-0.2 4,-0.6 2,-0.1 3,-0.4 -0.092 84.3 112.4-105.4 31.8 19.3 7.7 47.0 131 134 A E H <> S+ 0 0 54 -3,-0.7 4,-0.6 1,-0.2 -1,-0.2 0.549 74.3 61.1 -77.7 -8.1 22.2 9.7 48.4 132 135 A L H > S+ 0 0 60 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.714 88.7 70.7 -85.2 -25.3 24.4 6.8 47.1 133 136 A A H > S+ 0 0 11 -3,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.867 102.1 42.7 -61.6 -39.2 23.3 7.5 43.5 134 137 A I H X S+ 0 0 32 -4,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.830 115.5 50.4 -73.2 -33.2 25.3 10.7 43.4 135 138 A E H X S+ 0 0 15 -4,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.826 112.0 46.8 -75.7 -32.9 28.2 9.0 45.2 136 139 A Y H X S+ 0 0 8 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.902 115.0 45.6 -73.0 -43.0 28.2 6.0 42.8 137 140 A A H X S+ 0 0 5 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.742 106.0 62.1 -74.4 -23.2 28.0 8.3 39.7 138 141 A R H X S+ 0 0 133 -4,-1.3 4,-0.8 2,-0.2 -1,-0.2 0.886 104.2 47.3 -66.9 -40.3 30.7 10.6 41.1 139 142 A V H < S+ 0 0 6 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.883 113.9 46.5 -69.7 -39.8 33.3 7.8 41.1 140 143 A L H >< S+ 0 0 9 -4,-1.3 3,-1.9 1,-0.2 -2,-0.2 0.922 110.4 50.6 -70.5 -45.8 32.5 6.6 37.6 141 144 A L H >< S+ 0 0 4 -4,-2.1 3,-1.1 1,-0.3 4,-0.2 0.720 98.1 70.0 -64.9 -20.7 32.5 10.1 36.0 142 145 A A T 3< S+ 0 0 62 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.579 111.2 31.9 -71.6 -9.7 35.9 10.6 37.6 143 146 A G T <> S+ 0 0 2 -3,-1.9 4,-2.1 -4,-0.1 -1,-0.3 0.038 80.9 117.8-133.1 22.3 37.2 8.1 35.1 144 147 A A H <> S+ 0 0 1 -3,-1.1 4,-1.1 1,-0.2 -2,-0.1 0.713 80.3 51.1 -63.9 -21.5 34.9 8.8 32.2 145 148 A F H > S+ 0 0 59 -4,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.838 106.1 53.3 -81.7 -37.7 38.0 9.8 30.2 146 149 A I H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 106.5 54.0 -62.8 -39.6 39.7 6.6 31.1 147 150 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.936 113.5 41.3 -59.5 -47.3 36.7 4.7 29.8 148 151 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.909 113.9 52.0 -68.5 -43.5 36.9 6.5 26.4 149 152 A F H X S+ 0 0 19 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.870 110.1 50.2 -60.4 -38.4 40.7 6.3 26.2 150 153 A N H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.922 111.3 47.9 -64.7 -46.4 40.4 2.6 26.8 151 154 A N H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.883 112.3 49.1 -61.1 -41.8 37.8 2.2 24.1 152 155 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.938 110.5 50.1 -64.6 -46.8 39.9 4.2 21.6 153 156 A G H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.862 113.3 47.1 -57.9 -37.0 43.0 2.2 22.4 154 157 A N H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.868 112.0 50.3 -70.9 -38.0 40.9 -0.9 21.8 155 158 A G H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.850 108.3 52.7 -68.1 -36.0 39.5 0.6 18.6 156 159 A I H < S+ 0 0 0 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.902 112.3 45.7 -64.4 -41.1 43.1 1.5 17.4 157 160 A L H ><>S+ 0 0 0 -4,-1.6 5,-2.5 1,-0.2 3,-1.6 0.940 114.0 44.1 -71.9 -48.9 44.2 -2.1 18.0 158 161 A R H ><5S+ 0 0 13 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.612 104.9 68.2 -72.3 -9.5 41.3 -4.0 16.4 159 162 A G T 3<5S+ 0 0 0 -4,-0.7 -1,-0.3 1,-0.2 -77,-0.2 0.546 105.9 39.3 -83.4 -8.7 41.5 -1.4 13.6 160 163 A E T < 5S- 0 0 0 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.063 125.6 -93.8-127.0 22.8 44.9 -2.9 12.5 161 164 A G T < 5S+ 0 0 6 -3,-0.6 2,-1.1 1,-0.1 3,-0.3 0.558 86.8 129.9 79.1 9.4 44.1 -6.6 13.1 162 165 A D >< + 0 0 28 -5,-2.5 4,-0.9 1,-0.2 -1,-0.1 -0.430 15.4 139.2 -92.7 59.9 45.4 -6.6 16.6 163 166 A A H > + 0 0 3 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.659 63.6 65.1 -76.3 -16.7 42.4 -8.3 18.1 164 167 A N H > S+ 0 0 108 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.937 107.7 36.9 -71.0 -49.0 44.6 -10.4 20.4 165 168 A R H > S+ 0 0 43 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.685 114.8 58.4 -77.3 -18.9 46.0 -7.6 22.4 166 169 A A H X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.841 105.2 49.8 -71.7 -36.2 42.6 -6.0 22.1 167 170 A M H X S+ 0 0 42 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.889 104.1 59.5 -65.8 -41.3 41.3 -9.1 23.8 168 171 A L H X S+ 0 0 68 -4,-1.6 4,-3.3 1,-0.2 5,-0.3 0.912 103.9 50.4 -54.1 -46.9 44.0 -8.8 26.5 169 172 A A H X S+ 0 0 2 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.894 110.4 49.4 -59.5 -41.6 42.6 -5.3 27.5 170 173 A M H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.817 116.6 42.2 -68.5 -30.8 39.0 -6.7 27.7 171 174 A V H X S+ 0 0 48 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.914 113.7 49.2 -81.9 -46.7 40.2 -9.6 29.9 172 175 A L H X S+ 0 0 53 -4,-3.3 4,-1.8 -5,-0.2 5,-0.2 0.852 115.1 46.8 -60.2 -36.1 42.6 -7.6 32.1 173 176 A G H X S+ 0 0 3 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.918 117.8 39.6 -72.9 -45.2 39.9 -5.0 32.7 174 177 A S H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.845 115.4 53.7 -73.6 -35.3 37.1 -7.4 33.5 175 178 A G H X S+ 0 0 27 -4,-3.1 4,-2.0 2,-0.2 5,-0.2 0.936 110.8 43.3 -64.5 -50.0 39.4 -9.7 35.5 176 179 A L H X S+ 0 0 49 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.885 113.8 53.1 -62.8 -39.3 40.7 -7.0 37.8 177 180 A N H X S+ 0 0 1 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.851 109.0 51.1 -62.5 -34.5 37.2 -5.7 38.2 178 181 A I H < S+ 0 0 56 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.7 41.2 -71.8 -41.1 36.1 -9.2 39.1 179 182 A V H X S+ 0 0 78 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.773 116.3 48.7 -80.6 -26.4 38.7 -9.7 41.9 180 183 A L H X S+ 0 0 25 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.679 96.4 75.2 -85.9 -19.3 38.4 -6.2 43.3 181 184 A D H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.2 5,-0.4 0.934 100.9 36.4 -61.1 -51.0 34.6 -6.4 43.5 182 185 A P H >>S+ 0 0 34 0, 0.0 5,-1.9 0, 0.0 4,-1.7 0.850 118.5 52.8 -73.7 -28.7 34.3 -8.7 46.5 183 186 A I H <>S+ 0 0 74 -4,-0.6 5,-3.7 3,-0.2 6,-0.4 0.931 116.6 36.7 -68.8 -46.4 37.3 -7.1 48.2 184 187 A F H <5S+ 0 0 30 -4,-2.8 6,-2.2 3,-0.2 7,-0.4 0.928 123.7 41.1 -72.0 -46.8 36.0 -3.5 47.9 185 188 A I H <5S+ 0 0 4 -4,-2.2 6,-1.6 -5,-0.3 -2,-0.2 0.965 135.1 8.5 -67.2 -55.5 32.4 -4.2 48.5 186 189 A Y T <5S+ 0 0 113 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.932 128.8 43.6 -96.3 -58.7 32.6 -6.8 51.3 187 190 A T T - 0 0 111 -6,-2.2 3,-0.7 1,-0.3 -5,-0.2 0.622 44.9-157.1 -93.8 -17.2 32.7 0.1 51.1 191 194 A G T >> - 0 0 20 -6,-1.6 3,-0.9 -7,-0.4 4,-0.7 -0.461 59.6 -13.6 76.6-146.5 29.4 -1.2 49.9 192 195 A V H >> S+ 0 0 4 1,-0.3 4,-0.8 2,-0.2 3,-0.8 0.836 135.6 58.3 -62.4 -33.5 27.9 -0.2 46.5 193 196 A V H <> S+ 0 0 26 -3,-0.7 4,-2.1 1,-0.2 -1,-0.3 0.776 96.1 64.8 -68.4 -25.4 30.5 2.6 46.1 194 197 A G H <> S+ 0 0 0 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.823 96.7 55.6 -64.4 -31.5 33.2 -0.0 46.5 195 198 A A H S+ 0 0 28 -4,-3.9 4,-1.6 1,-0.2 5,-1.1 0.921 111.3 52.7 -64.7 -44.4 49.4 3.5 27.3 212 215 A Y H <>S+ 0 0 128 -4,-2.0 5,-3.8 -5,-0.3 4,-0.5 0.861 110.5 50.9 -58.0 -35.8 52.4 1.3 27.8 213 216 A W H <>S+ 0 0 17 -4,-2.1 5,-1.7 3,-0.2 6,-0.8 0.958 124.3 21.0 -68.7 -53.7 51.6 -0.4 24.5 214 217 A L H <5S+ 0 0 1 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.262 134.3 34.7-108.1 11.1 51.2 2.6 22.1 215 218 A F T <5S+ 0 0 87 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.561 130.3 21.8-126.3 -34.4 53.2 5.2 24.0 216 219 A V T + 0 0 116 -2,-0.3 3,-2.2 1,-0.1 -1,-0.1 0.425 66.2 109.1-110.8 -4.4 52.7 15.0 17.4 227 230 A R T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.756 101.0 12.1 -51.3 -35.3 56.0 16.2 15.9 228 231 A D T 3 S+ 0 0 155 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.240 91.2 178.8-133.3 46.0 54.4 17.2 12.6 229 232 A F < - 0 0 60 -3,-2.2 -3,-0.1 1,-0.1 -137,-0.0 -0.214 13.1-162.6 -61.0 134.1 50.7 17.0 13.6 230 233 A S - 0 0 67 -138,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.854 13.8-142.0-123.0 94.5 48.2 17.9 10.9 231 234 A P - 0 0 102 0, 0.0 2,-0.4 0, 0.0 -139,-0.0 -0.379 25.6-154.7 -55.4 109.7 44.7 18.7 12.2 232 235 A S > - 0 0 26 -2,-0.4 4,-1.0 -140,-0.2 5,-0.1 -0.784 26.0-165.3-100.4 131.4 42.4 17.1 9.6 233 236 A R H > S+ 0 0 77 -2,-0.4 4,-0.9 2,-0.2 -1,-0.1 0.625 95.8 51.8 -79.6 -15.3 38.9 18.2 8.8 234 237 A E H > S+ 0 0 67 2,-0.2 4,-2.1 3,-0.1 -1,-0.1 0.886 106.8 47.4 -90.0 -45.7 38.4 15.0 6.9 235 238 A I H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.855 112.1 53.9 -61.6 -35.6 39.6 12.5 9.5 236 239 A L H X S+ 0 0 66 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.901 110.7 44.3 -66.2 -41.2 37.4 14.3 12.0 237 240 A K H X S+ 0 0 108 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.836 112.1 56.4 -69.5 -31.7 34.4 13.9 9.7 238 241 A D H X S+ 0 0 31 -4,-2.1 4,-0.9 2,-0.2 5,-0.2 0.957 108.8 42.2 -65.4 -54.7 35.4 10.3 9.1 239 242 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-0.4 0.865 118.2 46.7 -62.4 -38.0 35.4 9.2 12.8 240 243 A L H X S+ 0 0 75 -4,-1.5 4,-1.4 -5,-0.2 -1,-0.2 0.751 99.7 67.6 -77.8 -23.8 32.2 11.1 13.6 241 244 A R H < S+ 0 0 36 -4,-1.6 143,-0.4 -3,-0.2 144,-0.2 0.791 120.7 20.6 -66.4 -28.1 30.4 9.8 10.5 242 245 A V H X S+ 0 0 0 -4,-0.9 4,-1.4 -3,-0.4 -2,-0.2 0.777 125.1 55.3-102.4 -44.5 30.5 6.3 12.0 243 246 A G H X S+ 0 0 2 -4,-3.0 4,-1.9 -5,-0.2 3,-0.2 0.922 106.0 46.9 -58.0 -56.0 31.0 7.3 15.7 244 247 A L H X S+ 0 0 106 -4,-1.4 4,-1.6 1,-0.3 -1,-0.2 0.890 115.9 43.9 -59.6 -45.4 28.0 9.6 16.3 245 248 A P H > S+ 0 0 15 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.760 110.8 58.4 -71.3 -19.7 25.4 7.3 14.7 246 249 A S H X S+ 0 0 4 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.858 103.3 51.4 -72.8 -36.6 27.0 4.4 16.5 247 250 A S H X S+ 0 0 9 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.940 111.4 46.3 -64.4 -48.1 26.4 6.1 19.9 248 251 A L H X S+ 0 0 93 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.849 110.6 55.7 -61.0 -35.4 22.7 6.6 19.1 249 252 A S H X S+ 0 0 11 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.949 105.9 47.9 -65.0 -50.0 22.5 3.0 17.8 250 253 A Q H < S+ 0 0 21 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.779 115.9 47.2 -61.9 -28.0 23.8 1.5 21.0 251 254 A L H >X S+ 0 0 72 -4,-1.4 4,-2.6 -5,-0.2 3,-1.0 0.893 106.3 56.5 -76.9 -42.8 21.3 3.7 22.9 252 255 A S H 3< S+ 0 0 21 -4,-2.6 4,-0.3 1,-0.3 -2,-0.2 0.770 99.0 60.8 -63.3 -28.4 18.4 2.9 20.7 253 256 A M 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