==== 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 02-OCT-07 2ZA8 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR I.YAMASHITA,Y.MISHIMA,S.-Y.PARK,J.G.HEDDLE,J.R.H.TAME . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 80.0 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.6 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 0 0 1 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 9 A Y 0 0 84 0, 0.0 114,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.5 27.7 66.6 46.0 2 10 A S > - 0 0 23 1,-0.1 4,-2.6 111,-0.1 5,-0.1 -0.209 360.0-129.0 -73.7 154.4 31.1 66.4 47.7 3 11 A T H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.795 111.5 58.2 -66.5 -27.9 33.0 69.3 49.4 4 12 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 109.1 42.0 -67.9 -45.6 36.0 68.4 47.3 5 13 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.921 112.3 55.4 -66.6 -45.0 34.0 69.0 44.1 6 14 A E H X S+ 0 0 54 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.923 111.9 43.2 -51.7 -49.6 32.4 72.1 45.5 7 15 A A H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 113.4 51.5 -64.7 -42.9 35.8 73.6 46.2 8 16 A A H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.877 108.1 52.4 -63.5 -37.8 37.2 72.5 42.9 9 17 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.921 108.4 50.6 -63.5 -42.9 34.3 74.1 41.1 10 18 A N H X S+ 0 0 20 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.910 110.7 49.3 -62.4 -39.9 35.0 77.4 42.9 11 19 A R H X S+ 0 0 155 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 109.8 51.2 -63.4 -40.9 38.6 77.2 41.9 12 20 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.879 105.9 54.9 -66.7 -37.6 37.6 76.6 38.3 13 21 A V H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.949 108.3 49.7 -57.0 -45.9 35.3 79.6 38.3 14 22 A N H X S+ 0 0 22 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.923 110.2 50.3 -59.7 -44.7 38.3 81.7 39.4 15 23 A L H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.897 110.7 48.9 -61.2 -43.4 40.4 80.2 36.6 16 24 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.904 112.9 47.2 -63.7 -40.9 37.7 81.0 34.0 17 25 A L H X S+ 0 0 38 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.899 111.1 51.7 -68.4 -37.4 37.3 84.6 35.3 18 26 A R H X S+ 0 0 82 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.905 110.6 49.1 -60.2 -41.7 41.1 85.0 35.3 19 27 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.921 109.6 51.2 -65.6 -42.3 41.1 83.8 31.6 20 28 A S H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 110.1 49.9 -59.1 -43.1 38.4 86.2 30.7 21 29 A Y H X S+ 0 0 105 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.904 109.1 51.8 -62.9 -40.8 40.4 89.0 32.3 22 30 A T H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.914 109.5 49.5 -62.1 -44.5 43.5 88.0 30.4 23 31 A Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.857 106.5 55.8 -65.9 -34.6 41.5 88.1 27.1 24 32 A L H X S+ 0 0 67 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.926 111.2 44.9 -57.6 -44.3 40.2 91.5 28.0 25 33 A S H X S+ 0 0 33 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.922 112.3 50.7 -68.8 -43.7 43.8 92.7 28.3 26 34 A L H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.943 111.8 49.3 -55.7 -48.4 44.8 90.9 25.1 27 35 A G H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.942 111.5 45.9 -59.7 -50.0 42.0 92.5 23.2 28 36 A F H < S+ 0 0 97 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.755 107.0 59.7 -71.7 -21.0 42.6 96.1 24.4 29 37 A Y H >< S+ 0 0 30 -4,-1.8 3,-1.5 1,-0.2 7,-0.3 0.933 106.5 46.7 -64.9 -46.4 46.3 95.7 23.7 30 38 A F H 3< S+ 0 0 0 -4,-1.8 7,-2.2 1,-0.3 11,-0.3 0.666 105.3 62.8 -71.4 -13.3 45.5 95.0 20.0 31 39 A D T 3< S+ 0 0 70 -4,-0.9 -1,-0.3 5,-0.2 -2,-0.2 0.531 78.2 114.9 -84.2 -8.8 43.1 98.0 20.1 32 40 A R S X> S- 0 0 81 -3,-1.5 4,-2.4 -4,-0.3 3,-1.9 -0.311 76.4-124.3 -61.5 145.7 46.0 100.4 20.8 33 41 A D T 34 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.778 113.1 51.8 -63.7 -23.2 46.7 102.9 18.1 34 42 A D T 34 S+ 0 0 100 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.276 121.4 31.8 -95.9 9.1 50.3 101.7 17.9 35 43 A V T <4 S+ 0 0 32 -3,-1.9 -2,-0.2 -5,-0.1 -5,-0.1 0.557 80.4 170.7-120.7 -62.6 49.2 98.0 17.5 36 44 A A < + 0 0 59 -4,-2.4 2,-0.5 -7,-0.3 -5,-0.2 0.880 15.6 143.6 59.9 56.6 46.0 98.5 15.6 37 45 A L >> - 0 0 16 -7,-2.2 4,-2.4 1,-0.1 3,-0.7 -0.817 22.4-177.9-124.7 88.7 44.9 95.0 14.6 38 46 A E H 3> S+ 0 0 68 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.857 79.1 55.9 -62.5 -38.1 41.1 95.1 14.9 39 47 A G H 3> S+ 0 0 4 126,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.856 111.7 45.8 -59.9 -36.7 40.5 91.4 13.9 40 48 A V H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.916 110.7 52.2 -72.3 -44.7 42.9 90.4 16.7 41 49 A C H X S+ 0 0 3 -4,-2.4 4,-2.4 -11,-0.3 -2,-0.2 0.938 113.7 44.1 -51.9 -51.3 41.2 92.8 19.2 42 50 A H H X S+ 0 0 97 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.909 109.1 56.7 -67.9 -38.6 37.8 91.3 18.4 43 51 A F H X S+ 0 0 24 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.936 113.8 39.6 -54.7 -50.5 39.0 87.7 18.5 44 52 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.877 113.0 53.9 -73.0 -35.3 40.3 88.1 22.0 45 53 A R H X S+ 0 0 103 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.893 107.9 51.9 -66.5 -35.5 37.3 90.3 23.2 46 54 A E H X S+ 0 0 111 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.907 109.0 50.7 -61.3 -42.5 35.0 87.5 22.0 47 55 A L H X S+ 0 0 13 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.865 103.7 57.9 -65.3 -34.2 37.0 85.0 24.0 48 56 A A H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.941 108.8 46.7 -59.7 -43.3 36.8 87.2 27.1 49 57 A E H X S+ 0 0 92 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.928 110.8 52.2 -60.4 -48.3 33.0 86.9 26.7 50 58 A E H X S+ 0 0 71 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 110.3 47.7 -57.3 -43.4 33.2 83.1 26.2 51 59 A K H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.892 110.5 50.6 -69.3 -37.6 35.2 82.6 29.3 52 60 A R H X S+ 0 0 90 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.928 109.4 52.5 -64.3 -41.1 33.0 84.7 31.5 53 61 A E H X S+ 0 0 66 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.890 106.8 52.9 -59.8 -39.3 30.0 82.7 30.1 54 62 A G H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.916 108.7 49.8 -60.4 -45.0 31.9 79.5 31.2 55 63 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 110.5 50.0 -57.6 -45.2 32.3 80.9 34.7 56 64 A E H X S+ 0 0 95 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.890 108.9 51.6 -64.6 -38.7 28.6 81.7 34.8 57 65 A R H X S+ 0 0 116 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 110.1 49.8 -62.2 -44.4 27.6 78.2 33.7 58 66 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 110.8 49.7 -60.0 -41.5 29.8 76.8 36.4 59 67 A L H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.899 110.1 50.0 -66.0 -39.5 28.1 79.1 39.0 60 68 A K H X S+ 0 0 139 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 112.7 47.2 -64.0 -44.0 24.6 78.1 37.9 61 69 A M H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.912 107.0 57.2 -62.9 -44.7 25.6 74.4 38.1 62 70 A Q H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.943 111.5 43.2 -51.0 -50.6 27.1 75.0 41.6 63 71 A N H ><5S+ 0 0 111 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.897 108.9 57.1 -65.3 -38.9 23.8 76.3 42.8 64 72 A Q H 3<5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.866 109.4 46.6 -59.8 -33.5 21.8 73.6 41.1 65 73 A R T 3<5S- 0 0 66 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.502 121.0-109.0 -84.0 -8.8 23.8 71.0 43.0 66 74 A G T < 5S+ 0 0 67 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.609 71.7 140.2 88.4 13.7 23.4 72.9 46.3 67 75 A G < - 0 0 8 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.279 54.2-114.0 -79.5 168.6 27.0 74.0 46.6 68 76 A R - 0 0 178 -2,-0.1 2,-0.2 2,-0.0 -58,-0.1 -0.935 21.5-135.7-111.2 118.7 28.0 77.5 47.8 69 77 A A - 0 0 25 -2,-0.6 2,-0.4 -10,-0.1 -62,-0.1 -0.509 25.7-174.8 -67.4 131.6 29.7 79.8 45.3 70 78 A L - 0 0 95 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.999 9.3-150.6-133.8 130.1 32.7 81.4 46.9 71 79 A F - 0 0 125 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.750 9.6-168.1-106.4 145.1 34.7 84.1 45.1 72 80 A Q - 0 0 138 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.806 41.1 -71.0-122.0 168.3 38.4 84.9 45.5 73 81 A D - 0 0 154 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.225 48.1-129.1 -54.7 145.3 40.6 87.8 44.3 74 82 A L - 0 0 74 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.903 20.2-134.2-102.2 113.2 41.2 87.7 40.5 75 83 A Q - 0 0 105 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.380 24.5-109.9 -64.9 142.2 44.8 88.0 39.7 76 84 A K - 0 0 143 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.211 48.2 -78.8 -64.2 157.9 45.7 90.4 36.9 77 85 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.194 41.3-112.6 -58.9 159.8 46.9 89.0 33.6 78 86 A S S S+ 0 0 105 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.656 95.7 36.1 -74.2 -17.7 50.5 87.8 33.4 79 87 A Q - 0 0 85 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.947 54.6-156.2-132.2 154.1 51.6 90.6 30.9 80 88 A D S S+ 0 0 128 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.621 93.0 33.3 -95.2 -24.1 50.8 94.3 30.4 81 89 A E - 0 0 116 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.978 68.2-157.0-133.2 146.8 51.9 94.1 26.7 82 90 A W - 0 0 4 -2,-0.3 9,-0.2 1,-0.3 2,-0.1 0.239 23.6-144.0-119.4 11.9 51.4 91.1 24.5 83 91 A G - 0 0 31 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.370 53.8 -10.0 72.4-137.2 54.0 91.5 21.7 84 92 A T S > S- 0 0 54 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.447 76.5 -94.6 -94.9 169.9 53.2 90.4 18.1 85 93 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 126.8 48.4 -52.0 -48.6 50.3 88.4 16.9 86 94 A P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.908 110.2 52.8 -61.3 -37.8 52.2 85.1 17.1 87 95 A D H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 112.8 44.3 -57.9 -46.4 53.3 86.0 20.7 88 96 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.895 112.1 50.7 -68.3 -39.7 49.7 86.6 21.7 89 97 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.898 110.2 51.0 -67.5 -37.2 48.4 83.5 20.0 90 98 A K H X S+ 0 0 99 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.924 110.3 49.4 -60.6 -45.9 51.1 81.4 21.8 91 99 A A H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.905 110.3 51.4 -59.9 -41.4 50.1 83.0 25.1 92 100 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.880 108.6 50.7 -63.8 -38.4 46.4 82.2 24.4 93 101 A I H X S+ 0 0 24 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.920 109.3 50.4 -65.6 -43.9 47.3 78.5 23.6 94 102 A V H X S+ 0 0 103 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.931 112.3 49.1 -59.3 -45.0 49.2 78.2 26.9 95 103 A L H X S+ 0 0 31 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 113.1 45.2 -57.9 -49.7 46.1 79.7 28.7 96 104 A E H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.888 111.2 52.2 -67.1 -38.3 43.6 77.3 27.0 97 105 A K H X S+ 0 0 126 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.878 110.4 50.0 -64.0 -35.7 45.8 74.3 27.5 98 106 A S H X S+ 0 0 64 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.907 111.9 46.8 -66.9 -41.8 46.0 75.2 31.2 99 107 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 111.2 52.4 -64.1 -44.2 42.2 75.6 31.4 100 108 A N H X S+ 0 0 31 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.910 108.1 50.5 -60.2 -42.7 41.7 72.3 29.6 101 109 A Q H X S+ 0 0 100 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.907 109.0 52.1 -62.6 -38.5 44.0 70.6 32.1 102 110 A A H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.902 109.6 49.7 -62.9 -39.3 42.0 72.1 35.0 103 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.911 111.4 48.3 -63.2 -42.3 38.8 70.7 33.4 104 112 A L H X S+ 0 0 71 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.864 110.5 51.9 -67.0 -36.4 40.4 67.3 33.0 105 113 A D H X S+ 0 0 96 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.912 110.9 46.7 -66.6 -42.5 41.5 67.4 36.6 106 114 A L H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.916 111.2 52.7 -65.5 -40.0 38.0 68.3 37.8 107 115 A H H X S+ 0 0 41 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.912 108.2 50.5 -58.7 -43.8 36.6 65.5 35.6 108 116 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.876 110.6 49.9 -61.5 -39.3 39.1 63.0 37.2 109 117 A L H X S+ 0 0 47 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.931 111.0 48.3 -66.1 -45.9 37.9 64.2 40.7 110 118 A G H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -2,-0.2 0.907 111.6 50.9 -58.6 -42.9 34.3 63.8 39.7 111 119 A S H ><5S+ 0 0 79 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.926 110.1 48.6 -59.8 -45.3 35.1 60.3 38.3 112 120 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 114.3 46.4 -66.6 -27.7 36.9 59.3 41.6 113 121 A Q T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.226 114.2-117.1-100.3 11.8 33.9 60.6 43.6 114 122 A A T < 5 + 0 0 84 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.926 60.2 152.2 51.8 55.1 31.3 58.8 41.4 115 123 A D >< + 0 0 13 -5,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.764 14.0 169.9-115.2 82.3 29.7 62.1 40.3 116 124 A P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.807 75.4 59.7 -68.4 -27.6 28.2 61.4 36.8 117 125 A H H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.931 108.7 44.3 -63.2 -44.3 26.3 64.6 36.7 118 126 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.945 113.4 50.6 -62.6 -48.0 29.5 66.6 37.1 119 127 A C H X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.929 113.5 45.0 -59.0 -44.6 31.3 64.5 34.6 120 128 A D H X S+ 0 0 85 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.898 110.4 55.0 -62.8 -43.9 28.4 64.9 32.0 121 129 A F H X S+ 0 0 15 -4,-2.6 4,-1.7 1,-0.2 5,-0.2 0.908 111.8 43.5 -56.1 -46.4 28.2 68.7 32.7 122 130 A L H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-2.0 0.903 115.6 47.5 -67.8 -44.4 31.9 69.1 31.9 123 131 A E H <>S+ 0 0 91 -4,-2.2 5,-1.0 -5,-0.3 -2,-0.2 0.957 115.8 44.8 -62.1 -48.1 31.8 66.9 28.8 124 132 A S H <5S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.763 128.7 20.6 -69.6 -30.5 28.7 68.5 27.4 125 133 A H H <5S+ 0 0 80 -4,-1.7 -1,-0.2 -5,-0.2 -3,-0.2 0.553 133.4 19.6-119.5 -10.2 29.6 72.2 27.9 126 134 A F T X5S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -3,-0.2 0.706 105.7 61.5-128.7 -50.4 33.3 72.5 28.3 127 135 A L H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.920 109.9 46.4 -56.3 -45.7 34.5 73.5 23.4 130 138 A E H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.909 110.7 50.6 -65.1 -47.2 38.1 73.5 24.6 131 139 A V H X S+ 0 0 85 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 113.7 45.8 -57.0 -47.0 39.3 70.9 22.1 132 140 A K H X S+ 0 0 128 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.901 114.1 48.4 -63.4 -42.5 37.7 72.9 19.2 133 141 A L H X S+ 0 0 25 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.915 110.7 49.6 -64.9 -44.1 39.1 76.2 20.5 134 142 A I H X S+ 0 0 32 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.910 111.7 50.0 -63.2 -39.8 42.6 74.8 20.9 135 143 A K H X S+ 0 0 129 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.934 110.3 49.6 -61.8 -45.9 42.5 73.4 17.4 136 144 A K H X S+ 0 0 106 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.910 112.1 48.2 -58.8 -44.4 41.4 76.8 16.0 137 145 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.883 110.0 51.9 -65.4 -38.8 44.2 78.5 17.8 138 146 A G H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 109.9 49.2 -59.3 -45.7 46.7 76.0 16.6 139 147 A D H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.920 112.2 48.9 -59.7 -45.5 45.5 76.6 13.0 140 148 A H H X S+ 0 0 14 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.936 110.0 50.4 -60.4 -47.4 45.8 80.3 13.6 141 149 A L H X S+ 0 0 25 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.927 109.6 50.5 -59.4 -45.6 49.3 80.0 15.0 142 150 A T H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.934 113.7 46.1 -56.8 -44.9 50.5 77.9 12.0 143 151 A N H X S+ 0 0 57 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.935 113.9 47.1 -66.0 -43.1 49.1 80.5 9.6 144 152 A I H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.925 113.3 48.3 -62.7 -45.7 50.6 83.4 11.5 145 153 A Q H X S+ 0 0 85 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.900 110.6 51.1 -64.3 -41.5 54.0 81.8 11.7 146 154 A R H X S+ 0 0 154 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.886 115.0 44.8 -59.7 -39.5 53.9 80.9 8.0 147 155 A L H >X S+ 0 0 50 -4,-2.0 4,-2.1 -5,-0.2 3,-0.6 0.908 114.5 44.1 -72.9 -45.2 53.1 84.5 7.2 148 156 A V H 3< S+ 0 0 37 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.701 104.7 64.5 -78.1 -18.1 55.6 86.3 9.5 149 157 A G H 3< S+ 0 0 69 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.770 109.3 41.3 -70.0 -27.8 58.3 83.9 8.5 150 158 A S H << S- 0 0 103 -4,-0.6 2,-0.3 -3,-0.6 -2,-0.2 0.924 143.6 -16.7 -80.8 -55.1 58.0 85.4 5.0 151 159 A Q X - 0 0 129 -4,-2.1 4,-2.7 1,-0.2 -1,-0.3 -0.857 63.3-147.7-158.4 117.6 57.5 89.1 6.0 152 160 A A H > S+ 0 0 59 -2,-0.3 4,-2.2 -4,-0.3 5,-0.2 0.944 91.9 31.8 -57.9 -66.1 56.7 90.1 9.6 153 161 A G H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 122.5 49.0 -61.5 -49.5 54.6 93.3 9.3 154 162 A L H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 111.1 50.8 -52.7 -48.7 53.0 92.3 6.0 155 163 A G H X S+ 0 0 2 -4,-2.7 4,-2.4 -8,-0.3 -2,-0.2 0.896 107.7 51.6 -62.4 -43.3 52.1 88.9 7.3 156 164 A E H X S+ 0 0 38 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.915 111.8 47.4 -60.0 -45.6 50.4 90.2 10.5 157 165 A Y H X S+ 0 0 139 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.932 111.6 50.0 -59.8 -49.3 48.3 92.5 8.4 158 166 A L H X S+ 0 0 66 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.913 111.6 48.4 -58.6 -42.4 47.3 89.8 5.9 159 167 A F H X>S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-1.7 0.934 112.7 47.5 -64.2 -44.9 46.3 87.4 8.7 160 168 A E H <>S+ 0 0 5 -4,-2.3 5,-1.7 -5,-0.2 -1,-0.2 0.905 118.9 40.7 -63.9 -40.1 44.2 90.1 10.5 161 169 A R H <5S+ 0 0 116 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.884 125.1 31.5 -74.3 -41.5 42.5 91.1 7.3 162 170 A L H <5S+ 0 0 139 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.646 131.0 24.3-104.3 -18.3 41.9 87.8 5.7 163 171 A T T <5S+ 0 0 72 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.773 130.7 30.4-106.6 -49.3 41.4 85.3 8.5 164 172 A L T < 0 0 27 -5,-1.7 -3,-0.2 1,-0.2 -4,-0.2 0.834 360.0 360.0 -86.9 -34.9 40.2 87.3 11.6 165 173 A K < 0 0 180 -5,-1.7 -126,-0.5 -6,-0.3 -1,-0.2 -0.745 360.0 360.0 106.9 360.0 38.4 90.0 9.7