==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 11-DEC-08 3FI6 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR M.ABE,T.UENO,K.HIRATA,M.SUZUKI,S.ABE,N.SHIMIZU,M.YAMAOTO, . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 77.3 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 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 . 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 2 A S 0 0 119 0, 0.0 4,-0.0 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 120.4 -52.4 -19.7 -20.4 2 3 A Q - 0 0 105 2,-0.0 70,-0.0 0, 0.0 0, 0.0 -0.956 360.0 -16.4 -85.4 -13.3 -51.2 -17.5 -19.3 3 4 A I S S+ 0 0 107 69,-0.1 69,-0.1 2,-0.0 67,-0.0 0.637 89.3 122.7-121.6 -20.2 -47.8 -18.7 -20.6 4 5 A R + 0 0 75 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.254 31.4 162.7 -61.4 127.6 -48.0 -22.4 -21.5 5 6 A Q - 0 0 156 66,-0.5 3,-0.1 3,-0.0 -1,-0.0 -0.970 63.1 -7.9-150.6 128.2 -47.0 -22.9 -25.2 6 7 A N S S+ 0 0 93 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.813 93.3 130.6 56.0 33.5 -45.9 -26.1 -27.1 7 8 A Y - 0 0 10 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.842 46.2-150.8-123.8 94.9 -45.9 -28.0 -23.7 8 9 A S > - 0 0 22 -2,-0.5 4,-2.4 1,-0.1 5,-0.1 -0.164 22.4-125.1 -69.0 155.1 -47.8 -31.3 -23.8 9 10 A T H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.827 113.1 58.4 -63.8 -29.6 -49.5 -33.0 -20.9 10 11 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 107.9 43.6 -66.1 -44.1 -47.4 -36.0 -21.7 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.925 111.6 54.7 -67.3 -44.5 -44.1 -34.1 -21.3 12 13 A E H X S+ 0 0 30 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.930 111.0 45.1 -52.8 -49.0 -45.5 -32.5 -18.1 13 14 A A H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.904 112.6 50.7 -62.1 -41.6 -46.3 -35.9 -16.6 14 15 A A H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.861 108.4 52.7 -67.5 -36.8 -42.9 -37.4 -17.7 15 16 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.924 108.5 50.0 -62.9 -45.2 -41.1 -34.4 -16.1 16 17 A N H X S+ 0 0 18 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.912 111.6 48.7 -61.3 -41.1 -42.9 -35.0 -12.8 17 18 A R H X S+ 0 0 155 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 109.8 52.0 -63.7 -39.7 -41.9 -38.7 -12.9 18 19 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.880 106.0 54.3 -65.0 -38.0 -38.3 -37.7 -13.6 19 20 A V H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.935 107.8 50.5 -58.3 -45.7 -38.3 -35.4 -10.6 20 21 A N H X S+ 0 0 23 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.930 110.6 49.1 -60.7 -43.2 -39.5 -38.4 -8.5 21 22 A L H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.899 112.1 48.0 -62.1 -43.3 -36.6 -40.5 -9.9 22 23 A Y H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.910 113.2 47.4 -64.1 -44.3 -34.0 -37.8 -9.2 23 24 A L H X S+ 0 0 40 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.887 111.0 51.9 -64.0 -38.7 -35.3 -37.3 -5.7 24 25 A R H X S+ 0 0 79 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.891 110.0 49.5 -60.9 -40.9 -35.3 -41.1 -5.1 25 26 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 108.6 52.6 -65.9 -41.3 -31.7 -41.2 -6.3 26 27 A S H X S+ 0 0 19 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.926 110.2 48.8 -55.9 -46.4 -30.8 -38.3 -3.9 27 28 A Y H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.884 108.8 52.7 -62.4 -42.6 -32.3 -40.3 -1.1 28 29 A T H X S+ 0 0 18 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 110.2 48.0 -58.5 -47.3 -30.4 -43.4 -2.1 29 30 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.857 107.0 56.7 -63.8 -35.3 -27.1 -41.4 -2.0 30 31 A L H X S+ 0 0 77 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.950 110.9 44.0 -57.0 -48.2 -28.1 -40.0 1.4 31 32 A S H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 112.1 52.6 -64.2 -43.5 -28.4 -43.6 2.7 32 33 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.941 109.5 50.1 -58.2 -45.8 -25.2 -44.6 1.0 33 34 A G H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.938 111.9 44.9 -60.5 -50.4 -23.3 -41.7 2.6 34 35 A F H >< S+ 0 0 122 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.854 107.1 60.4 -66.9 -30.1 -24.4 -42.4 6.1 35 36 A Y H >< S+ 0 0 28 -4,-2.2 3,-1.7 1,-0.2 7,-0.3 0.932 103.1 51.0 -59.8 -44.7 -23.8 -46.1 5.8 36 37 A F H 3< S+ 0 0 0 -4,-1.8 7,-2.8 1,-0.3 -1,-0.2 0.685 104.7 58.5 -69.1 -13.0 -20.1 -45.4 5.1 37 38 A D T << S+ 0 0 97 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.342 77.0 121.0 -92.6 -2.5 -19.9 -43.2 8.2 38 39 A R S X> S- 0 0 84 -3,-1.7 4,-2.5 -4,-0.2 3,-2.0 -0.403 76.1-120.1 -58.9 144.8 -21.0 -46.1 10.5 39 40 A D T 34 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.760 114.9 50.7 -61.8 -25.1 -18.4 -46.8 13.1 40 41 A D T 34 S+ 0 0 102 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.253 120.3 34.1 -94.6 10.4 -18.0 -50.4 11.8 41 42 A V T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -6,-0.1 -4,-0.1 0.589 78.4 171.1-122.6 -61.2 -17.5 -49.2 8.2 42 43 A A < + 0 0 65 -4,-2.5 2,-0.4 -7,-0.3 -5,-0.2 0.890 17.3 142.0 55.3 57.5 -15.7 -45.9 8.7 43 44 A L >> - 0 0 15 -7,-2.8 4,-2.0 1,-0.1 3,-0.7 -0.786 22.6-179.2-124.3 88.5 -14.6 -44.7 5.2 44 45 A E H 3> S+ 0 0 96 -2,-0.4 4,-3.0 1,-0.3 5,-0.2 0.847 78.9 56.9 -60.4 -38.1 -15.1 -40.9 5.3 45 46 A G H 3> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.854 107.9 48.9 -63.2 -32.1 -14.0 -40.4 1.7 46 47 A V H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.917 110.6 50.5 -71.1 -46.3 -16.8 -42.8 0.5 47 48 A C H X S+ 0 0 20 -4,-2.0 4,-2.6 -11,-0.2 -2,-0.2 0.955 111.9 48.2 -50.9 -50.9 -19.3 -40.9 2.7 48 49 A A H X S+ 0 0 41 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.897 108.4 53.8 -61.2 -41.7 -18.2 -37.6 1.2 49 50 A F H X S+ 0 0 20 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.942 113.3 42.5 -57.1 -48.2 -18.4 -38.9 -2.4 50 51 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.862 109.6 56.7 -73.7 -31.5 -22.0 -40.1 -1.9 51 52 A R H X S+ 0 0 52 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.907 106.7 50.9 -59.4 -44.2 -23.1 -36.9 -0.0 52 53 A E H X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.902 110.5 48.9 -60.2 -42.6 -21.9 -34.9 -3.0 53 54 A L H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.871 106.1 56.1 -67.6 -37.0 -24.0 -37.1 -5.3 54 55 A A H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.932 110.3 46.9 -56.2 -46.3 -27.0 -36.7 -3.0 55 56 A E H X S+ 0 0 77 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.916 110.6 51.5 -61.3 -47.0 -26.6 -32.9 -3.5 56 57 A E H X S+ 0 0 72 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.878 110.2 48.3 -60.9 -39.4 -26.2 -33.2 -7.3 57 58 A K H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.890 111.4 49.6 -70.8 -38.7 -29.4 -35.3 -7.7 58 59 A R H X S+ 0 0 96 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 110.2 51.9 -63.6 -41.4 -31.4 -32.9 -5.5 59 60 A E H X S+ 0 0 65 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.891 108.1 51.6 -60.9 -39.6 -30.1 -30.1 -7.7 60 61 A G H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 109.6 49.2 -60.6 -48.4 -31.2 -31.9 -10.8 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 111.6 49.3 -58.2 -43.8 -34.7 -32.4 -9.4 62 63 A E H X S+ 0 0 89 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.884 109.0 52.1 -64.2 -39.0 -34.9 -28.7 -8.5 63 64 A R H X S+ 0 0 85 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.913 110.4 49.2 -62.5 -44.1 -33.7 -27.7 -12.0 64 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.898 111.5 49.3 -59.3 -42.9 -36.5 -29.9 -13.6 65 66 A L H X S+ 0 0 29 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.890 109.9 49.9 -66.5 -41.3 -39.1 -28.3 -11.3 66 67 A K H X S+ 0 0 139 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.937 111.7 50.0 -62.1 -44.1 -38.0 -24.8 -12.1 67 68 A M H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.888 107.0 54.2 -59.3 -44.2 -38.2 -25.7 -15.8 68 69 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.926 112.4 43.9 -55.1 -50.6 -41.7 -27.2 -15.3 69 70 A N H ><5S+ 0 0 96 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.906 109.6 56.3 -62.3 -41.8 -42.8 -23.8 -13.8 70 71 A Q H 3<5S+ 0 0 122 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.862 109.2 47.4 -58.9 -35.8 -41.0 -21.8 -16.5 71 72 A R T 3<5S- 0 0 28 -4,-2.0 -66,-0.5 -5,-0.2 -1,-0.3 0.516 120.6-107.7 -83.3 -4.7 -43.0 -23.7 -19.1 72 73 A G T < 5S+ 0 0 8 -3,-1.3 -3,-0.2 -4,-0.4 -68,-0.2 0.612 75.2 135.1 85.9 12.9 -46.4 -23.2 -17.3 73 74 A G < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.292 54.4-115.4 -83.8 175.7 -46.6 -26.8 -16.2 74 75 A R - 0 0 148 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.961 17.9-129.8-124.7 120.1 -47.6 -27.9 -12.7 75 76 A A - 0 0 33 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.384 25.0-174.2 -62.3 133.4 -45.3 -29.8 -10.3 76 77 A L - 0 0 115 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.982 8.5-154.7-133.7 124.9 -46.9 -32.9 -8.8 77 78 A F - 0 0 126 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.737 8.6-169.3-102.0 144.6 -45.1 -34.8 -6.1 78 79 A Q - 0 0 137 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.770 41.5 -68.4-122.4 170.2 -45.5 -38.5 -5.2 79 80 A D - 0 0 155 -2,-0.3 2,-0.7 1,-0.1 -1,-0.2 -0.195 47.2-130.4 -52.3 145.8 -44.3 -40.7 -2.4 80 81 A L - 0 0 74 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.0 -0.942 22.1-133.9-104.8 114.5 -40.5 -41.2 -2.5 81 82 A Q - 0 0 110 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.362 25.4-107.5 -65.8 146.4 -39.7 -44.9 -2.1 82 83 A K - 0 0 148 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.254 50.1 -79.3 -67.7 159.8 -37.0 -45.8 0.4 83 84 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.200 41.3-109.0 -62.7 160.1 -33.7 -46.9 -1.1 84 85 A S S S+ 0 0 104 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.691 97.0 31.5 -67.1 -24.1 -33.3 -50.5 -2.3 85 86 A Q - 0 0 82 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.935 52.5-156.1-133.0 156.7 -31.0 -51.5 0.6 86 87 A D S S+ 0 0 126 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.661 94.1 37.0 -96.2 -28.4 -30.4 -50.7 4.3 87 88 A E - 0 0 118 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.987 68.5-160.7-128.7 138.2 -26.8 -51.9 4.2 88 89 A W - 0 0 4 -2,-0.4 9,-0.1 1,-0.3 2,-0.1 0.288 22.7-142.9-112.5 9.8 -24.6 -51.3 1.2 89 90 A G - 0 0 32 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.403 53.4 -15.3 71.6-139.0 -21.7 -53.8 1.5 90 91 A T S > S- 0 0 55 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.414 76.3 -90.7 -96.1 174.2 -18.2 -52.9 0.5 91 92 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 126.4 48.7 -51.5 -49.7 -17.0 -50.0 -1.7 92 93 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.885 110.0 52.9 -63.1 -33.7 -17.2 -51.9 -5.0 93 94 A D H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 112.6 44.8 -60.1 -45.8 -20.8 -53.1 -4.0 94 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.894 111.2 51.5 -67.2 -41.4 -21.8 -49.5 -3.5 95 96 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.907 109.7 51.2 -63.7 -40.2 -20.1 -48.2 -6.6 96 97 A K H X S+ 0 0 102 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.937 109.6 49.4 -60.5 -48.7 -21.9 -50.9 -8.6 97 98 A A H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 110.6 51.7 -56.6 -41.8 -25.3 -49.9 -7.1 98 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.891 109.0 48.9 -63.5 -43.5 -24.5 -46.2 -8.0 99 100 A I H X S+ 0 0 20 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.920 110.9 50.6 -61.7 -43.6 -23.7 -47.0 -11.6 100 101 A V H X S+ 0 0 103 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.948 112.7 48.2 -57.7 -47.7 -27.0 -49.0 -11.9 101 102 A L H X S+ 0 0 32 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.931 112.7 45.6 -58.1 -50.6 -28.8 -46.0 -10.4 102 103 A E H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.885 110.1 54.0 -64.6 -40.5 -27.2 -43.4 -12.7 103 104 A K H X S+ 0 0 125 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.906 107.3 52.7 -60.0 -39.6 -27.8 -45.6 -15.8 104 105 A S H X S+ 0 0 61 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.901 111.1 45.6 -62.1 -39.9 -31.4 -45.8 -14.9 105 106 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.917 112.0 52.5 -65.1 -43.3 -31.6 -41.9 -14.6 106 107 A N H X S+ 0 0 30 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.922 109.0 49.1 -59.5 -45.9 -29.8 -41.6 -17.9 107 108 A Q H X S+ 0 0 100 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.905 109.3 52.4 -63.3 -39.5 -32.3 -44.0 -19.6 108 109 A A H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 109.3 50.3 -60.3 -40.1 -35.2 -41.9 -18.1 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.920 110.8 48.6 -60.4 -47.0 -33.6 -38.8 -19.6 110 111 A L H X S+ 0 0 75 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.864 111.1 50.8 -60.8 -38.1 -33.3 -40.5 -23.0 111 112 A D H X S+ 0 0 96 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.880 111.7 46.9 -68.4 -39.0 -36.9 -41.6 -22.8 112 113 A L H X S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.902 110.0 54.2 -68.4 -41.0 -38.0 -38.1 -22.0 113 114 A H H X S+ 0 0 53 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.895 107.9 49.1 -57.2 -43.9 -35.9 -36.7 -24.8 114 115 A A H X S+ 0 0 59 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.919 111.3 50.3 -61.9 -44.7 -37.6 -39.1 -27.3 115 116 A L H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.947 110.7 49.1 -56.7 -52.0 -41.0 -38.0 -26.0 116 117 A G H <>S+ 0 0 0 -4,-3.0 5,-2.9 2,-0.2 -2,-0.2 0.889 112.7 47.5 -55.6 -45.5 -39.9 -34.3 -26.4 117 118 A S H ><5S+ 0 0 81 -4,-2.7 3,-1.7 3,-0.2 -1,-0.2 0.936 112.0 49.6 -60.1 -49.1 -38.8 -35.0 -30.0 118 119 A A H 3<5S+ 0 0 85 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.791 111.8 49.6 -59.5 -29.9 -42.0 -36.9 -30.7 119 120 A Q T 3<5S- 0 0 66 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.337 114.0-119.5 -90.0 5.9 -44.0 -33.9 -29.3 120 121 A A T < 5 + 0 0 69 -3,-1.7 -3,-0.2 1,-0.2 3,-0.1 0.929 64.0 147.3 49.0 51.0 -41.9 -31.5 -31.5 121 122 A D >< + 0 0 1 -5,-2.9 4,-1.7 1,-0.1 3,-0.3 -0.757 15.1 169.0-110.9 78.6 -40.7 -29.7 -28.3 122 123 A P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.791 72.8 58.7 -68.4 -26.0 -37.2 -28.7 -29.5 123 124 A H H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.872 103.8 49.5 -70.3 -39.4 -36.7 -26.5 -26.5 124 125 A L H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.939 108.1 55.9 -59.7 -48.0 -37.1 -29.3 -24.0 125 126 A C H X S+ 0 0 18 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.871 110.4 44.3 -49.9 -44.8 -34.6 -31.3 -26.1 126 127 A D H X S+ 0 0 56 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.799 111.4 53.4 -72.6 -33.6 -32.1 -28.5 -25.7 127 128 A F H X S+ 0 0 20 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.897 112.5 44.6 -65.2 -43.7 -32.8 -28.1 -22.0 128 129 A L H X>S+ 0 0 0 -4,-2.9 5,-2.6 2,-0.2 4,-1.8 0.876 114.5 48.6 -68.0 -41.3 -32.2 -31.9 -21.4 129 130 A E H <>S+ 0 0 32 -4,-1.8 5,-1.5 -5,-0.3 6,-0.2 0.977 116.3 38.7 -65.2 -57.6 -29.0 -32.1 -23.5 130 131 A S H <5S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.641 129.0 30.7 -70.5 -19.8 -27.2 -29.0 -22.1 131 132 A H H <5S+ 0 0 93 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.566 132.9 11.3-119.1 -12.4 -28.2 -29.5 -18.5 132 133 A F T X5S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.1 -3,-0.2 0.634 114.3 56.3-135.4 -47.8 -28.7 -33.3 -17.8 133 134 A L H > S+ 0 0 51 -6,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.893 109.8 50.9 -63.4 -41.0 -23.6 -34.4 -16.7 136 137 A E H X S+ 0 0 4 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.915 109.1 49.7 -64.1 -45.2 -24.8 -38.0 -16.6 137 138 A V H X S+ 0 0 91 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.944 113.8 46.0 -58.9 -48.2 -22.3 -39.2 -19.2 138 139 A K H X S+ 0 0 147 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 114.6 48.2 -58.8 -45.4 -19.4 -37.5 -17.3 139 140 A L H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.932 110.5 49.4 -62.0 -50.0 -20.7 -38.9 -13.9 140 141 A I H X S+ 0 0 33 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.893 109.6 52.9 -59.9 -39.3 -21.1 -42.4 -15.2 141 142 A K H X S+ 0 0 127 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.930 110.0 48.0 -60.2 -46.2 -17.5 -42.3 -16.7 142 143 A K H X S+ 0 0 91 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 113.5 48.0 -59.7 -44.6 -16.1 -41.2 -13.3 143 144 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.899 111.0 49.6 -63.1 -43.3 -18.1 -44.0 -11.5 144 145 A G H X S+ 0 0 25 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.905 111.2 49.9 -62.0 -42.8 -16.9 -46.5 -14.0 145 146 A D H X S+ 0 0 65 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.927 111.5 49.0 -58.6 -46.9 -13.3 -45.3 -13.5 146 147 A H H X S+ 0 0 15 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.936 111.0 49.7 -59.2 -48.1 -13.8 -45.6 -9.7 147 148 A L H X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.925 110.1 50.2 -59.1 -45.0 -15.2 -49.1 -10.0 148 149 A T H X S+ 0 0 73 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.926 113.8 46.9 -58.3 -43.2 -12.3 -50.3 -12.2 149 150 A N H X S+ 0 0 57 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.943 113.8 45.3 -65.0 -48.1 -9.8 -48.9 -9.7 150 151 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.915 112.8 51.6 -64.4 -39.8 -11.5 -50.4 -6.7 151 152 A Q H X S+ 0 0 90 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.903 109.6 49.7 -61.1 -41.5 -11.9 -53.8 -8.4 152 153 A R H < S+ 0 0 162 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.860 115.1 46.4 -64.0 -35.6 -8.2 -53.7 -9.3 153 154 A L H X S+ 0 0 58 -4,-1.8 4,-0.8 1,-0.2 8,-0.3 0.840 109.2 49.8 -76.0 -38.4 -7.4 -52.9 -5.6 154 155 A V H < S+ 0 0 32 -4,-2.5 2,-0.7 7,-0.2 4,-0.3 0.512 80.4 114.5 -89.8 -4.0 -9.6 -55.4 -3.8 155 156 A G T < S- 0 0 48 -4,-0.8 -1,-0.1 1,-0.3 -4,-0.0 -0.909 103.8 -24.8-101.7 102.0 -8.4 -58.4 -5.9 156 157 A S T 4 S+ 0 0 117 -2,-0.7 2,-0.3 0, 0.0 -1,-0.3 -0.636 135.5 59.9-136.4 55.0 -7.2 -59.7 -3.6 157 158 A Q X + 0 0 128 -4,-0.8 4,-2.9 1,-0.1 5,-0.2 -0.732 64.2 174.1-121.1 76.5 -6.0 -57.6 -0.6 158 159 A A H > + 0 0 56 -4,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.865 67.2 41.5 -60.9 -51.0 -9.6 -56.4 -0.0 159 160 A G H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.959 118.9 45.8 -63.6 -50.7 -9.3 -54.4 3.3 160 161 A L H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 113.5 50.8 -54.8 -47.8 -6.0 -52.8 2.3 161 162 A G H X S+ 0 0 2 -4,-2.9 4,-2.3 -8,-0.3 -1,-0.2 0.916 108.6 50.9 -59.4 -46.1 -7.3 -52.0 -1.2 162 163 A E H X S+ 0 0 37 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.910 111.7 47.4 -60.2 -44.2 -10.5 -50.4 0.2 163 164 A Y H X S+ 0 0 133 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.931 112.0 49.3 -61.5 -48.7 -8.5 -48.2 2.6 164 165 A L H X S+ 0 0 64 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.900 110.4 50.4 -62.6 -40.3 -6.0 -47.1 -0.1 165 166 A F H X>S+ 0 0 1 -4,-2.3 5,-2.0 2,-0.2 4,-2.0 0.922 112.0 47.5 -63.5 -45.2 -8.8 -46.2 -2.5 166 167 A E H <>S+ 0 0 4 -4,-2.0 5,-1.6 -5,-0.2 -2,-0.2 0.913 118.9 40.6 -60.1 -43.2 -10.6 -44.1 0.1 167 168 A R H <5S+ 0 0 87 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.897 125.5 31.1 -71.7 -44.3 -7.3 -42.3 1.1 168 169 A L H <5S+ 0 0 121 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.626 132.9 22.1-102.7 -17.2 -5.7 -41.7 -2.3 169 170 A T T <5S+ 0 0 56 -4,-2.0 3,-0.5 -5,-0.4 -3,-0.2 0.741 128.7 34.7-108.8 -54.1 -8.7 -41.3 -4.7 170 171 A L T