==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 16-JUL-07 2Z5R . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR T.UENO,K.HIRATA,M.ABE,M.SUZUKI,S.ABE,N.SHIMIZU,M.YAMAMOTO, . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 72.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 62.8 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 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 1 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 0 171 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.0 -54.0 -21.2 -17.8 2 3 A Q + 0 0 184 70,-0.1 70,-0.0 0, 0.0 0, 0.0 0.566 360.0 22.2-157.5 -53.0 -51.6 -18.4 -19.2 3 4 A I S S+ 0 0 103 69,-0.1 2,-0.2 2,-0.0 69,-0.0 0.426 80.7 124.9-110.4 -5.4 -48.0 -18.9 -20.5 4 5 A R + 0 0 85 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.368 30.6 163.0 -66.3 125.5 -48.2 -22.6 -21.5 5 6 A Q - 0 0 161 66,-0.4 3,-0.1 -2,-0.2 -1,-0.0 -0.923 64.3 -11.0-150.5 117.4 -47.3 -23.1 -25.1 6 7 A N S S+ 0 0 95 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.843 91.9 129.5 64.4 27.7 -46.3 -26.3 -26.9 7 8 A Y - 0 0 8 64,-0.1 -1,-0.2 65,-0.0 5,-0.0 -0.767 47.0-154.0-114.5 83.9 -46.0 -28.1 -23.5 8 9 A S > - 0 0 29 -2,-0.5 4,-2.1 111,-0.2 3,-0.2 -0.159 23.2-118.8 -59.8 149.3 -48.0 -31.4 -23.8 9 10 A T H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.603 112.5 57.6 -52.6 -26.0 -49.6 -33.2 -20.8 10 11 A E H > S+ 0 0 109 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.869 107.5 46.3 -83.5 -40.5 -47.5 -36.4 -21.5 11 12 A V H > S+ 0 0 0 -3,-0.2 4,-3.3 2,-0.2 5,-0.2 0.945 111.5 53.0 -60.4 -53.8 -44.2 -34.4 -21.2 12 13 A E H X S+ 0 0 23 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.925 111.4 45.9 -42.7 -52.1 -45.6 -32.8 -18.0 13 14 A A H X S+ 0 0 33 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.908 113.0 49.2 -65.4 -38.9 -46.3 -36.2 -16.6 14 15 A A H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.857 109.2 52.3 -72.7 -38.0 -42.9 -37.6 -17.6 15 16 A V H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.952 107.4 53.6 -57.1 -49.8 -41.1 -34.6 -16.1 16 17 A N H X S+ 0 0 21 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.886 110.5 46.5 -48.1 -40.7 -43.1 -35.3 -12.9 17 18 A R H X S+ 0 0 162 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.894 109.3 53.9 -75.0 -38.2 -41.8 -38.9 -12.9 18 19 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.903 106.0 51.7 -64.0 -35.6 -38.3 -37.9 -13.6 19 20 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.950 110.5 50.7 -63.1 -43.2 -38.3 -35.5 -10.6 20 21 A N H X S+ 0 0 33 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.904 109.4 49.6 -61.5 -42.5 -39.5 -38.5 -8.5 21 22 A L H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.852 111.9 49.7 -65.3 -37.9 -36.6 -40.7 -9.9 22 23 A Y H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.892 112.1 45.6 -67.7 -44.6 -34.1 -37.9 -9.1 23 24 A L H X S+ 0 0 43 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.873 111.6 51.9 -65.6 -39.5 -35.3 -37.5 -5.5 24 25 A R H X S+ 0 0 52 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.943 110.6 49.4 -62.1 -41.3 -35.4 -41.2 -5.0 25 26 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.912 109.8 51.7 -59.1 -44.7 -31.7 -41.2 -6.3 26 27 A S H X S+ 0 0 15 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.915 110.0 49.0 -51.4 -50.5 -31.0 -38.4 -3.8 27 28 A Y H X S+ 0 0 99 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.913 108.3 53.0 -60.5 -48.6 -32.5 -40.5 -1.0 28 29 A T H X S+ 0 0 7 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.933 109.6 48.7 -49.7 -47.4 -30.4 -43.6 -2.0 29 30 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.803 107.5 54.7 -68.2 -32.1 -27.2 -41.6 -1.8 30 31 A L H X S+ 0 0 80 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.953 111.2 44.8 -63.7 -51.2 -28.1 -40.2 1.5 31 32 A S H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 113.5 50.8 -54.9 -51.7 -28.6 -43.8 2.9 32 33 A L H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.919 110.6 50.8 -51.9 -50.5 -25.3 -44.9 1.1 33 34 A G H < S+ 0 0 4 -4,-2.6 4,-0.3 17,-0.2 -2,-0.2 0.903 112.7 42.8 -55.4 -47.0 -23.5 -41.9 2.8 34 35 A F H >< S+ 0 0 134 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.841 108.2 61.2 -77.5 -27.3 -24.7 -42.6 6.3 35 36 A Y H >< S+ 0 0 30 -4,-2.4 3,-1.9 1,-0.2 7,-0.3 0.931 104.4 47.3 -54.5 -48.0 -24.0 -46.3 5.9 36 37 A F T 3< S+ 0 0 0 -4,-1.7 7,-2.7 1,-0.3 11,-0.3 0.488 105.9 60.9 -79.9 -4.1 -20.3 -45.8 5.3 37 38 A D T < S+ 0 0 93 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.295 78.2 117.9 -96.4 -0.4 -20.1 -43.5 8.3 38 39 A R S X> S- 0 0 85 -3,-1.9 4,-2.6 1,-0.1 3,-1.9 -0.393 77.1-119.5 -67.2 151.4 -21.2 -46.3 10.6 39 40 A D T 34 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.814 114.8 48.4 -68.6 -25.5 -18.7 -47.1 13.3 40 41 A D T 34 S+ 0 0 97 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.287 122.8 34.3 -93.5 10.1 -18.4 -50.7 12.0 41 42 A V T <4 S+ 0 0 33 -3,-1.9 -2,-0.2 -6,-0.1 -5,-0.1 0.617 78.0 166.6-118.0 -58.3 -18.0 -49.5 8.4 42 43 A A < + 0 0 66 -4,-2.6 2,-0.4 -7,-0.3 -5,-0.2 0.859 12.7 144.9 49.7 69.1 -16.0 -46.2 8.8 43 44 A L >> - 0 0 17 -7,-2.7 4,-2.0 1,-0.1 3,-1.0 -0.827 22.2-176.6-131.4 86.3 -14.8 -45.2 5.3 44 45 A E H 3> S+ 0 0 111 -2,-0.4 4,-2.0 1,-0.3 5,-0.3 0.892 78.7 58.8 -63.7 -38.3 -15.0 -41.4 5.3 45 46 A G H 3> S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.825 109.3 46.3 -54.2 -33.3 -13.9 -40.9 1.7 46 47 A V H <> S+ 0 0 0 -3,-1.0 4,-1.8 1,-0.2 3,-0.2 0.927 106.7 56.7 -82.4 -46.8 -16.8 -43.0 0.6 47 48 A C H X S+ 0 0 23 -4,-2.0 4,-0.6 -11,-0.3 -2,-0.2 0.862 112.0 42.3 -43.4 -43.6 -19.4 -41.2 2.9 48 49 A H H < S+ 0 0 38 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.719 105.5 60.2 -88.5 -21.7 -18.6 -37.7 1.3 49 50 A F H >X S+ 0 0 41 -4,-1.0 4,-1.2 -5,-0.3 3,-0.5 0.896 110.8 45.1 -63.2 -40.1 -18.4 -38.9 -2.3 50 51 A F H 3X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -17,-0.2 0.695 101.2 67.0 -74.9 -14.6 -22.0 -39.9 -1.7 51 52 A R H 3< S+ 0 0 62 -4,-0.6 -1,-0.2 2,-0.2 -2,-0.1 0.377 106.1 43.7 -70.2 -1.2 -23.1 -36.7 0.1 52 53 A E H <> S+ 0 0 89 -3,-0.5 4,-1.9 2,-0.3 -2,-0.2 0.598 102.9 58.3-174.6 -69.0 -22.7 -35.0 -2.9 53 54 A L H X S+ 0 0 3 -4,-1.2 4,-2.5 2,-0.2 5,-0.3 0.830 106.3 55.0 -4.7 -71.3 -24.2 -37.2 -5.2 54 55 A A H X S+ 0 0 7 -4,-1.8 4,-2.5 1,-0.2 -2,-0.3 0.950 110.0 46.6 -59.5 -40.6 -27.2 -36.7 -3.0 55 56 A E H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.924 112.2 49.7 -62.2 -44.5 -26.9 -32.9 -3.6 56 57 A E H X S+ 0 0 54 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 112.1 46.3 -64.9 -44.3 -26.4 -33.3 -7.3 57 58 A K H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.917 111.9 51.9 -67.9 -41.2 -29.4 -35.5 -7.7 58 59 A R H X S+ 0 0 104 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.926 110.4 48.7 -59.4 -41.9 -31.4 -33.1 -5.5 59 60 A E H X S+ 0 0 82 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.891 107.1 57.5 -63.5 -35.8 -30.3 -30.1 -7.8 60 61 A G H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.935 107.5 45.7 -53.3 -50.0 -31.3 -32.2 -10.8 61 62 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.927 113.6 49.1 -67.1 -44.3 -34.8 -32.5 -9.4 62 63 A E H X S+ 0 0 114 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.905 108.7 52.9 -54.6 -45.8 -35.0 -28.7 -8.6 63 64 A R H X S+ 0 0 59 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.925 111.3 48.5 -59.8 -45.9 -33.7 -27.8 -12.1 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.927 110.6 49.1 -57.3 -45.3 -36.5 -30.0 -13.6 65 66 A L H X S+ 0 0 30 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 111.1 49.2 -64.4 -42.2 -39.2 -28.5 -11.4 66 67 A K H X S+ 0 0 137 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.923 112.0 49.6 -65.5 -42.8 -38.2 -24.9 -12.2 67 68 A M H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.2 6,-0.2 0.937 108.1 52.4 -56.0 -51.7 -38.2 -25.8 -15.8 68 69 A Q H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.4 0.923 111.4 48.2 -49.7 -48.3 -41.6 -27.3 -15.5 69 70 A N H ><5S+ 0 0 107 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.915 106.6 57.6 -63.5 -41.6 -42.8 -24.0 -13.9 70 71 A Q H 3<5S+ 0 0 126 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.7 47.7 -55.8 -32.6 -41.2 -22.0 -16.7 71 72 A R T 3<5S- 0 0 28 -4,-1.7 -66,-0.4 -3,-0.4 -1,-0.3 0.310 121.7-105.0 -89.6 1.6 -43.2 -23.7 -19.3 72 73 A G T < 5S+ 0 0 25 -3,-1.9 -3,-0.2 1,-0.2 -68,-0.2 0.665 74.9 142.2 80.5 8.4 -46.5 -23.3 -17.4 73 74 A G < - 0 0 8 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.174 49.9-119.8 -70.7 174.2 -46.5 -26.9 -16.3 74 75 A R - 0 0 157 -3,-0.1 -58,-0.1 2,-0.0 2,-0.1 -0.950 16.6-131.4-128.1 111.9 -47.7 -28.1 -12.9 75 76 A A - 0 0 24 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.357 24.0-172.2 -53.8 126.9 -45.4 -30.0 -10.4 76 77 A L - 0 0 79 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.996 7.8-153.4-127.6 127.6 -47.1 -33.1 -9.0 77 78 A F - 0 0 127 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.778 10.1-172.0-105.7 146.8 -45.3 -34.9 -6.2 78 79 A Q - 0 0 130 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.811 40.2 -72.3-124.7 169.6 -45.6 -38.6 -5.3 79 80 A D - 0 0 153 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.167 46.9-125.0 -54.2 147.8 -44.4 -40.7 -2.4 80 81 A L - 0 0 70 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.0 -0.912 19.7-132.2-102.7 112.4 -40.6 -41.5 -2.4 81 82 A Q - 0 0 117 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.297 28.8-109.7 -47.8 134.5 -39.8 -45.1 -2.2 82 83 A K - 0 0 143 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.173 50.7 -77.1 -66.5 158.3 -37.1 -45.9 0.4 83 84 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.198 44.2-111.1 -60.3 160.4 -33.7 -46.9 -1.0 84 85 A S S S+ 0 0 84 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.647 95.9 37.2 -72.6 -7.7 -33.5 -50.5 -2.2 85 86 A Q - 0 0 98 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.969 51.5-159.5-140.2 151.8 -31.2 -51.6 0.6 86 87 A D S S+ 0 0 122 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.714 93.0 36.0 -96.1 -36.7 -30.6 -51.0 4.3 87 88 A E - 0 0 115 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.964 66.7-161.3-116.3 143.0 -27.0 -52.2 4.3 88 89 A W - 0 0 8 -2,-0.4 6,-0.2 1,-0.3 9,-0.1 0.382 20.9-148.2-108.9 4.9 -24.8 -51.5 1.3 89 90 A G - 0 0 31 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.342 56.2 -6.4 67.8-134.2 -21.9 -54.2 1.7 90 91 A T S > S- 0 0 52 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.368 74.0-100.2 -95.0 170.8 -18.5 -53.1 0.4 91 92 A T H > S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.903 126.4 55.6 -53.8 -40.6 -17.4 -50.0 -1.5 92 93 A L H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.902 108.5 44.7 -55.7 -51.7 -17.5 -52.3 -4.6 93 94 A D H > S+ 0 0 80 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.952 115.3 49.6 -61.3 -44.7 -21.2 -53.3 -4.0 94 95 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -6,-0.2 -1,-0.2 0.834 108.6 49.7 -61.9 -40.1 -22.1 -49.8 -3.3 95 96 A M H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.842 110.7 52.3 -74.8 -28.6 -20.4 -48.4 -6.4 96 97 A K H X S+ 0 0 92 -4,-1.9 4,-2.4 2,-0.2 3,-0.3 0.948 107.8 50.7 -65.2 -51.3 -22.2 -51.1 -8.5 97 98 A A H X S+ 0 0 29 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.899 109.7 52.4 -56.2 -38.1 -25.6 -50.1 -7.0 98 99 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.838 109.3 46.7 -64.6 -39.4 -24.8 -46.4 -7.9 99 100 A I H X S+ 0 0 15 -4,-1.5 4,-3.0 -3,-0.3 5,-0.2 0.899 110.4 52.3 -70.1 -46.4 -24.0 -47.1 -11.6 100 101 A V H X S+ 0 0 105 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.949 114.0 48.3 -49.0 -42.5 -27.2 -49.3 -11.9 101 102 A L H X S+ 0 0 29 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.913 112.6 42.7 -69.1 -48.0 -28.9 -46.2 -10.5 102 103 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.864 111.2 57.5 -70.9 -34.2 -27.4 -43.6 -12.7 103 104 A K H X S+ 0 0 120 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.938 106.7 48.5 -58.1 -44.7 -27.8 -45.8 -15.7 104 105 A S H X S+ 0 0 57 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.880 110.5 50.5 -68.1 -32.1 -31.5 -46.0 -15.1 105 106 A L H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.920 110.8 50.9 -66.0 -38.6 -31.7 -42.2 -14.6 106 107 A N H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.947 108.5 50.9 -64.6 -43.3 -29.9 -41.8 -18.0 107 108 A Q H X S+ 0 0 97 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.883 108.4 52.0 -60.3 -36.8 -32.3 -44.1 -19.6 108 109 A A H X S+ 0 0 22 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.845 108.5 50.9 -71.8 -31.5 -35.2 -42.1 -18.3 109 110 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.2 -2,-0.2 0.932 112.1 47.2 -66.4 -46.2 -33.7 -38.9 -19.7 110 111 A L H X S+ 0 0 71 -4,-2.6 4,-2.8 2,-0.2 3,-0.2 0.914 109.1 53.5 -59.2 -46.6 -33.3 -40.5 -23.1 111 112 A D H X S+ 0 0 98 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.840 112.2 47.0 -60.2 -28.6 -36.9 -41.9 -22.9 112 113 A L H X S+ 0 0 6 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.750 109.0 51.2 -84.9 -28.8 -38.0 -38.3 -22.3 113 114 A H H X S+ 0 0 65 -4,-1.6 4,-2.2 -3,-0.2 5,-0.2 0.873 107.3 54.9 -74.0 -35.0 -35.9 -36.8 -25.1 114 115 A A H X S+ 0 0 61 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.841 109.9 47.5 -64.8 -28.1 -37.4 -39.3 -27.4 115 116 A L H X S+ 0 0 54 -4,-0.7 4,-0.7 -5,-0.2 -2,-0.2 0.896 107.6 55.5 -74.6 -43.9 -40.8 -38.0 -26.2 116 117 A G H <>S+ 0 0 4 -4,-2.1 5,-2.4 2,-0.2 3,-0.4 0.907 111.3 43.9 -49.9 -54.0 -39.7 -34.3 -26.7 117 118 A S H ><5S+ 0 0 86 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.952 114.1 49.3 -57.4 -54.9 -38.8 -35.0 -30.4 118 119 A A H 3<5S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.547 112.3 52.0 -62.4 -9.9 -42.1 -37.1 -31.0 119 120 A Q T 3<5S- 0 0 55 -4,-0.7 -1,-0.3 -3,-0.4 -111,-0.2 0.080 113.4-116.7-111.5 21.3 -44.0 -34.1 -29.4 120 121 A A T < 5 + 0 0 71 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.903 67.8 143.3 44.6 50.7 -42.4 -31.3 -31.6 121 122 A D >< + 0 0 3 -5,-2.4 4,-0.7 1,-0.1 3,-0.4 -0.699 17.7 167.4-120.7 74.6 -40.8 -29.8 -28.4 122 123 A P T 4 S+ 0 0 103 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.703 72.8 58.5 -67.0 -17.9 -37.4 -28.5 -29.7 123 124 A H T > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 3,-0.1 0.821 96.8 56.8 -82.2 -37.3 -36.8 -26.5 -26.5 124 125 A L H > S+ 0 0 1 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.817 103.9 64.7 -53.2 -22.2 -37.0 -29.4 -24.0 125 126 A C H < S+ 0 0 22 -4,-0.7 4,-0.4 1,-0.4 -2,-0.2 0.761 103.7 39.7 -56.4 -80.8 -34.2 -30.8 -26.2 126 127 A D H > S+ 0 0 42 -4,-0.4 4,-2.3 2,-0.3 -1,-0.4 0.310 109.6 57.5 79.0 -95.2 -32.1 -28.5 -25.5 127 128 A F H X S+ 0 0 29 -4,-1.6 4,-0.7 2,-0.2 -2,-0.3 0.902 112.1 45.6 -64.9 -43.5 -32.8 -28.2 -21.8 128 129 A L H X>S+ 0 0 0 -4,-2.9 5,-2.2 3,-0.2 4,-1.9 0.859 118.6 41.9 -66.6 -38.2 -32.1 -31.9 -21.3 129 130 A E H 4>S+ 0 0 43 -4,-0.4 5,-0.9 -5,-0.2 -3,-0.2 0.987 115.5 46.6 -72.2 -60.8 -28.9 -31.8 -23.3 130 131 A S H <5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.570 130.8 22.2 -53.0 -17.5 -27.5 -28.5 -22.0 131 132 A H H <5S+ 0 0 84 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.661 130.1 14.1-131.5 -19.9 -28.2 -29.5 -18.4 132 133 A F T X5S+ 0 0 2 -4,-1.9 4,-1.9 -3,-0.2 -3,-0.2 0.672 106.3 60.1-134.7 -47.8 -28.6 -33.3 -17.7 133 134 A L H > S+ 0 0 80 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.891 112.7 53.3 -55.7 -40.7 -23.4 -34.6 -16.5 136 137 A E H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.896 108.3 47.1 -65.0 -47.0 -24.9 -38.1 -16.5 137 138 A V H X S+ 0 0 89 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.920 115.0 47.3 -61.8 -46.8 -22.4 -39.4 -19.2 138 139 A K H X S+ 0 0 130 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.959 112.9 49.3 -58.7 -46.3 -19.4 -37.8 -17.2 139 140 A L H X S+ 0 0 31 -4,-3.2 4,-2.6 1,-0.3 5,-0.2 0.906 109.5 49.0 -60.9 -46.9 -20.6 -39.2 -13.9 140 141 A I H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.885 110.4 53.8 -64.2 -35.9 -21.1 -42.7 -15.2 141 142 A K H X S+ 0 0 127 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.963 108.8 48.5 -57.6 -53.5 -17.6 -42.4 -16.7 142 143 A K H X S+ 0 0 41 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.870 114.2 46.2 -54.4 -38.0 -16.2 -41.5 -13.3 143 144 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.841 110.0 51.8 -76.8 -38.8 -18.0 -44.4 -11.6 144 145 A G H X S+ 0 0 25 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.914 108.4 52.4 -58.7 -45.1 -17.0 -46.9 -14.1 145 146 A D H X S+ 0 0 67 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.938 111.1 47.9 -57.3 -50.8 -13.4 -45.8 -13.6 146 147 A H H X S+ 0 0 36 -4,-2.1 4,-3.3 1,-0.2 5,-0.3 0.911 110.3 51.2 -51.4 -48.5 -13.8 -46.3 -9.8 147 148 A L H X S+ 0 0 24 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.905 107.4 52.5 -59.6 -42.4 -15.3 -49.7 -10.3 148 149 A T H X S+ 0 0 72 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.921 112.6 46.9 -60.8 -43.4 -12.4 -50.7 -12.6 149 150 A N H X S+ 0 0 58 -4,-2.3 4,-1.1 2,-0.2 3,-0.2 0.911 111.6 47.5 -64.5 -41.9 -10.0 -49.6 -9.8 150 151 A I H >< S+ 0 0 19 -4,-3.3 3,-1.2 1,-0.2 -2,-0.2 0.970 111.3 53.9 -62.2 -46.5 -11.8 -51.4 -7.0 151 152 A Q H >< S+ 0 0 86 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.773 105.7 53.4 -62.8 -24.2 -12.0 -54.5 -9.2 152 153 A R H 3< S+ 0 0 154 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.765 99.0 59.1 -84.3 -16.0 -8.3 -54.4 -9.7 153 154 A L T << S+ 0 0 73 -3,-1.2 8,-0.3 -4,-1.1 -1,-0.2 0.113 89.5 137.5 -88.1 20.7 -7.5 -54.3 -6.0 154 155 A V < + 0 0 100 -3,-0.7 -3,-0.1 -5,-0.1 4,-0.0 -0.450 34.3 29.0 -73.2 131.8 -9.4 -57.5 -6.1 155 156 A G S S+ 0 0 58 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.614 98.5 11.5 58.0 145.8 -8.3 -60.7 -4.2 156 157 A S S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.856 119.7 51.7 -81.6 18.1 -7.1 -62.1 -2.0 157 158 A Q > + 0 0 130 1,-0.2 4,-1.7 -4,-0.2 3,-0.0 -0.504 56.0 157.6-119.7 60.0 -6.7 -58.9 0.0 158 159 A A H > S+ 0 0 74 -2,-0.5 4,-2.1 1,-0.2 5,-0.3 0.901 72.7 50.4 -55.2 -55.1 -10.1 -57.3 0.2 159 160 A G H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 111.6 47.2 -48.6 -53.0 -9.6 -55.2 3.4 160 161 A L H > S+ 0 0 88 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.883 111.0 52.9 -57.5 -40.7 -6.3 -53.7 2.3 161 162 A G H X S+ 0 0 8 -4,-1.7 4,-3.3 -8,-0.3 -1,-0.2 0.901 110.7 44.3 -64.2 -50.2 -7.7 -52.8 -1.1 162 163 A E H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.902 113.3 52.1 -61.3 -46.8 -10.7 -50.9 0.2 163 164 A Y H X S+ 0 0 135 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.983 115.8 41.1 -55.3 -54.8 -8.6 -49.2 2.7 164 165 A L H X S+ 0 0 64 -4,-3.2 4,-3.7 1,-0.2 5,-0.4 0.909 114.0 51.5 -64.8 -40.1 -6.1 -48.0 -0.0 165 166 A F H X>S+ 0 0 4 -4,-3.3 4,-2.3 1,-0.2 5,-2.0 0.910 113.8 44.2 -54.7 -45.5 -8.8 -47.2 -2.5 166 167 A E H <>S+ 0 0 6 -4,-2.5 5,-2.6 3,-0.2 -2,-0.2 0.911 119.3 43.3 -72.8 -42.7 -10.6 -45.0 0.0 167 168 A R H <5S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.898 124.8 31.5 -64.6 -42.5 -7.3 -43.4 1.2 168 169 A L H <5S+ 0 0 133 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.670 133.6 18.7-100.1 -22.8 -5.7 -42.9 -2.2 169 170 A T T <5S+ 0 0 68 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.717 125.4 41.5-111.2 -48.6 -8.6 -42.2 -4.6 170 171 A L T