==== 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 2ZA7 . 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 . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 77.6 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 68.8 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 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 5 A I 0 0 175 0, 0.0 69,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -19.0 18.8 69.5 48.0 2 6 A R + 0 0 97 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.300 360.0 165.1 -62.5 132.2 22.5 68.5 48.1 3 7 A Q - 0 0 156 66,-0.4 3,-0.1 3,-0.0 -1,-0.0 -0.935 62.7 -8.7-154.9 124.2 23.0 64.8 47.1 4 8 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.804 91.5 132.4 57.9 32.2 26.1 63.0 46.0 5 9 A Y - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.881 45.8-149.1-119.6 101.3 28.0 66.3 45.9 6 10 A S > - 0 0 20 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.212 20.6-126.2 -71.1 155.4 31.4 66.2 47.7 7 11 A T H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.839 112.4 59.0 -65.1 -29.1 33.1 69.0 49.5 8 12 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 108.7 41.9 -65.0 -44.2 36.2 68.3 47.3 9 13 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 112.0 55.7 -69.1 -44.4 34.2 68.8 44.1 10 14 A E H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 111.9 42.9 -51.6 -49.2 32.5 71.9 45.5 11 15 A A H X S+ 0 0 40 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 113.2 51.8 -66.0 -41.6 35.9 73.5 46.3 12 16 A A H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.858 107.4 53.5 -64.0 -35.5 37.4 72.5 43.0 13 17 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.924 107.8 50.6 -65.7 -44.2 34.4 74.0 41.2 14 18 A N H X S+ 0 0 20 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.898 110.3 49.8 -59.8 -39.4 35.0 77.3 43.0 15 19 A R H X S+ 0 0 152 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 109.1 52.1 -65.3 -39.0 38.7 77.2 42.0 16 20 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.859 104.9 55.7 -65.9 -39.1 37.7 76.6 38.3 17 21 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.944 108.1 49.3 -54.0 -47.7 35.4 79.6 38.5 18 22 A N H X S+ 0 0 26 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.924 110.2 50.6 -59.9 -41.6 38.4 81.7 39.5 19 23 A L H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.4 47.3 -63.6 -43.3 40.5 80.2 36.7 20 24 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.884 113.4 47.6 -66.1 -40.8 37.8 81.0 34.1 21 25 A L H X S+ 0 0 39 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.890 110.9 51.9 -68.1 -38.2 37.3 84.6 35.4 22 26 A R H X S+ 0 0 82 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.5 49.1 -58.8 -44.5 41.1 85.0 35.4 23 27 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 108.7 52.3 -61.7 -47.0 41.2 83.8 31.7 24 28 A S H X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.930 109.6 49.6 -54.1 -43.5 38.4 86.2 30.8 25 29 A Y H X S+ 0 0 110 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.895 109.2 52.8 -64.0 -39.3 40.4 89.1 32.4 26 30 A T H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.927 109.3 48.4 -62.1 -45.4 43.5 88.0 30.4 27 31 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.840 107.0 56.2 -66.4 -32.7 41.5 88.1 27.1 28 32 A L H X S+ 0 0 74 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.929 110.0 46.5 -59.1 -45.0 40.1 91.6 28.0 29 33 A S H X S+ 0 0 34 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.921 112.2 49.5 -66.3 -45.9 43.8 92.8 28.3 30 34 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.933 110.4 51.9 -54.6 -47.8 44.8 91.1 25.1 31 35 A G H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.933 112.2 43.7 -57.6 -46.5 41.8 92.7 23.3 32 36 A F H < S+ 0 0 93 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.760 107.0 60.5 -76.1 -21.5 42.6 96.2 24.4 33 37 A Y H >< S+ 0 0 30 -4,-1.7 3,-1.5 1,-0.2 7,-0.3 0.933 105.7 47.7 -66.4 -46.3 46.3 95.8 23.7 34 38 A F H 3< S+ 0 0 1 -4,-2.0 7,-2.2 1,-0.3 11,-0.3 0.612 105.1 62.0 -71.2 -9.2 45.4 95.2 20.0 35 39 A D T 3< S+ 0 0 99 -4,-0.5 -1,-0.3 5,-0.2 -2,-0.2 0.480 77.2 116.5 -89.9 -6.5 43.1 98.2 20.1 36 40 A R S X> S- 0 0 83 -3,-1.5 4,-2.4 -4,-0.3 3,-2.1 -0.349 75.8-124.7 -61.9 142.3 46.1 100.5 20.9 37 41 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.765 112.7 52.0 -62.8 -23.5 46.7 103.1 18.2 38 42 A D T 34 S+ 0 0 101 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.251 120.6 32.5 -96.1 11.2 50.4 101.8 17.9 39 43 A V T <4 S+ 0 0 34 -3,-2.1 -2,-0.2 -5,-0.1 -5,-0.1 0.546 79.8 171.3-125.6 -62.5 49.2 98.2 17.5 40 44 A A < + 0 0 65 -4,-2.4 2,-0.5 -7,-0.3 -5,-0.2 0.879 14.9 145.5 58.1 57.1 45.9 98.6 15.6 41 45 A L >> - 0 0 17 -7,-2.2 4,-2.3 1,-0.1 3,-0.6 -0.808 20.9-178.6-122.0 87.1 44.8 95.1 14.6 42 46 A E H 3> S+ 0 0 120 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.877 79.6 54.2 -58.9 -42.4 41.0 95.2 14.9 43 47 A G H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.855 110.8 47.2 -57.2 -42.2 40.4 91.6 13.9 44 48 A V H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.907 110.8 51.5 -67.3 -45.6 42.8 90.4 16.6 45 49 A C H X S+ 0 0 14 -4,-2.3 4,-2.5 -11,-0.3 -2,-0.2 0.932 111.8 47.9 -54.7 -45.8 41.1 92.7 19.2 46 50 A H H X S+ 0 0 76 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.923 107.6 54.8 -64.4 -42.6 37.7 91.3 18.3 47 51 A F H X S+ 0 0 18 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.939 114.5 40.6 -55.2 -51.2 38.9 87.6 18.5 48 52 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.869 111.7 54.3 -71.4 -35.4 40.2 88.2 22.0 49 53 A R H X S+ 0 0 122 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.912 108.7 51.2 -65.6 -37.0 37.2 90.3 23.2 50 54 A E H X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.875 109.2 50.0 -61.1 -39.2 34.9 87.4 22.0 51 55 A L H X S+ 0 0 10 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.849 104.0 58.7 -70.1 -31.9 37.0 84.9 24.0 52 56 A A H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.934 108.6 46.5 -61.5 -41.7 36.7 87.2 27.1 53 57 A E H X S+ 0 0 70 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.918 110.5 52.1 -63.7 -45.8 32.9 86.8 26.8 54 58 A E H X S+ 0 0 72 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.887 110.1 48.5 -60.5 -40.5 33.2 83.0 26.3 55 59 A K H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.894 110.5 50.6 -66.3 -41.8 35.3 82.5 29.4 56 60 A R H X S+ 0 0 93 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.917 108.9 52.3 -60.7 -41.3 32.9 84.7 31.5 57 61 A E H X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.869 107.3 53.0 -62.9 -35.3 30.0 82.5 30.2 58 62 A G H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.920 108.9 48.2 -64.9 -45.0 31.9 79.4 31.3 59 63 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.912 111.0 51.7 -58.4 -45.1 32.3 80.8 34.8 60 64 A E H X S+ 0 0 103 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.882 108.2 51.1 -61.2 -38.9 28.6 81.7 34.9 61 65 A R H X S+ 0 0 116 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 109.8 49.8 -65.6 -44.8 27.7 78.1 33.8 62 66 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 111.1 50.0 -57.2 -42.6 29.9 76.7 36.6 63 67 A L H X S+ 0 0 32 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.907 109.2 50.5 -65.3 -39.8 28.2 79.0 39.2 64 68 A K H X S+ 0 0 143 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.928 112.3 47.7 -64.2 -43.7 24.7 78.0 38.0 65 69 A M H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 6,-0.2 0.900 106.3 58.2 -62.8 -43.7 25.7 74.3 38.4 66 70 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.5 0.944 111.3 41.9 -50.9 -50.0 27.2 75.0 41.8 67 71 A N H ><5S+ 0 0 93 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.901 109.3 58.5 -65.9 -41.3 23.8 76.3 43.0 68 72 A Q H 3<5S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 109.6 44.6 -54.8 -36.9 21.9 73.5 41.2 69 73 A R T 3<5S- 0 0 26 -4,-2.2 -66,-0.4 -3,-0.2 -1,-0.3 0.508 119.5-109.5 -85.3 -8.1 23.9 70.9 43.2 70 74 A G T < 5S+ 0 0 8 -3,-1.2 -3,-0.2 -4,-0.5 -68,-0.2 0.631 72.9 137.7 85.0 15.1 23.4 72.9 46.5 71 75 A G < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.292 53.8-115.8 -79.9 172.2 27.1 73.9 46.7 72 76 A R - 0 0 150 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.959 17.7-130.3-122.2 120.8 28.1 77.3 47.8 73 77 A A - 0 0 32 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.473 24.4-174.2 -66.2 131.2 29.9 79.8 45.5 74 78 A L - 0 0 113 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.981 10.1-152.4-131.2 117.8 32.9 81.3 47.1 75 79 A F - 0 0 132 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.651 10.3-168.9 -93.7 144.6 34.7 84.1 45.2 76 80 A Q - 0 0 135 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.845 38.9 -72.2-121.2 167.0 38.4 84.9 45.5 77 81 A D - 0 0 151 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.197 47.5-127.9 -52.8 147.0 40.6 87.8 44.3 78 82 A L - 0 0 78 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.922 20.0-132.3-103.4 115.5 41.2 87.7 40.5 79 83 A Q - 0 0 111 -2,-0.6 -54,-0.1 1,-0.1 3,-0.1 -0.386 25.4-111.1 -62.9 142.0 44.9 87.9 39.6 80 84 A K - 0 0 145 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.254 48.3 -78.5 -67.6 157.1 45.8 90.4 36.9 81 85 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.209 41.0-112.5 -58.2 157.9 47.0 89.0 33.5 82 86 A S S S+ 0 0 106 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.668 95.8 32.9 -69.2 -21.9 50.6 87.8 33.3 83 87 A Q - 0 0 84 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.943 53.8-156.0-132.1 155.8 51.6 90.6 30.9 84 88 A D S S+ 0 0 127 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.625 93.9 35.6 -95.6 -27.2 50.8 94.3 30.3 85 89 A E - 0 0 112 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.978 68.2-159.5-129.6 143.4 51.9 94.2 26.6 86 90 A W - 0 0 4 -2,-0.3 2,-0.2 1,-0.3 9,-0.2 0.305 23.8-145.1-117.2 8.5 51.5 91.1 24.5 87 91 A G - 0 0 31 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.432 53.8 -6.5 74.7-135.6 54.0 91.5 21.7 88 92 A T S > S- 0 0 57 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.422 77.0 -96.5 -93.4 170.8 53.3 90.4 18.1 89 93 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 126.6 48.8 -57.1 -46.1 50.2 88.4 16.9 90 94 A P H > S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 110.2 52.8 -61.1 -36.7 52.1 85.0 17.1 91 95 A D H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 112.2 45.3 -59.3 -48.2 53.3 86.0 20.7 92 96 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.917 112.2 49.7 -63.5 -45.4 49.7 86.7 21.7 93 97 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.894 110.2 51.3 -62.8 -38.5 48.3 83.5 20.1 94 98 A K H X S+ 0 0 99 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 110.2 49.5 -62.3 -44.8 51.0 81.4 21.8 95 99 A A H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.886 109.8 51.8 -62.0 -39.7 50.0 82.9 25.2 96 100 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.893 109.3 49.4 -63.1 -40.4 46.4 82.2 24.5 97 101 A I H X S+ 0 0 28 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.913 109.8 50.9 -66.1 -44.5 47.2 78.5 23.7 98 102 A V H X S+ 0 0 102 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.936 112.7 48.2 -56.0 -46.0 49.2 78.2 27.0 99 103 A L H X S+ 0 0 30 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.938 112.7 46.4 -58.4 -50.1 46.2 79.7 28.8 100 104 A E H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.863 110.1 53.2 -68.5 -33.3 43.6 77.4 27.2 101 105 A K H X S+ 0 0 132 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.844 107.5 52.5 -69.1 -31.4 45.7 74.3 27.8 102 106 A S H X S+ 0 0 64 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.884 111.1 46.2 -70.5 -38.4 45.9 75.3 31.5 103 107 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 111.7 52.4 -65.3 -45.8 42.1 75.6 31.6 104 108 A N H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.916 108.3 50.2 -56.9 -45.5 41.8 72.3 29.8 105 109 A Q H X S+ 0 0 98 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 109.5 51.2 -60.2 -41.6 44.1 70.6 32.3 106 110 A A H X S+ 0 0 19 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 110.0 50.2 -61.2 -40.3 42.0 72.0 35.1 107 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.923 111.4 47.9 -61.6 -44.6 38.9 70.5 33.4 108 112 A L H X S+ 0 0 75 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.888 111.0 51.6 -64.0 -39.6 40.6 67.1 33.1 109 113 A D H X S+ 0 0 96 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.894 111.4 46.7 -63.3 -43.4 41.7 67.3 36.8 110 114 A L H X S+ 0 0 7 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 110.3 52.7 -65.3 -43.0 38.1 68.0 37.9 111 115 A H H X S+ 0 0 44 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.911 109.3 49.9 -56.2 -43.5 36.7 65.3 35.7 112 116 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.892 111.1 49.3 -64.6 -37.4 39.2 62.8 37.3 113 117 A L H X S+ 0 0 46 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.929 111.4 48.2 -66.1 -46.2 38.1 64.0 40.7 114 118 A G H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.3 0.902 110.9 52.0 -60.4 -42.2 34.4 63.6 39.9 115 119 A S H ><5S+ 0 0 79 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.911 110.5 47.4 -61.3 -43.0 35.1 60.1 38.5 116 120 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 114.2 46.9 -66.6 -32.3 36.9 59.1 41.7 117 121 A Q T 3<5S- 0 0 72 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.348 113.4-120.0 -89.1 3.8 34.0 60.5 43.9 118 122 A A T < 5 + 0 0 66 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.940 59.5 152.4 49.1 58.3 31.5 58.7 41.6 119 123 A D >< + 0 0 2 -5,-2.6 4,-2.0 1,-0.1 3,-0.4 -0.760 14.2 170.9-114.6 79.9 29.8 62.0 40.6 120 124 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.780 74.4 60.4 -69.3 -27.3 28.3 61.3 37.2 121 125 A H H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.920 107.1 47.3 -60.6 -42.2 26.3 64.5 37.0 122 126 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.949 112.2 49.2 -62.9 -48.9 29.6 66.5 37.3 123 127 A C H X S+ 0 0 15 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.923 112.9 46.9 -57.1 -46.4 31.3 64.4 34.7 124 128 A D H X S+ 0 0 87 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.877 109.7 54.7 -60.9 -40.7 28.3 64.8 32.2 125 129 A F H X S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.932 110.5 44.7 -61.1 -45.8 28.3 68.6 32.9 126 130 A L H X>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-2.2 0.924 115.1 48.8 -66.0 -43.4 31.9 68.9 32.0 127 131 A E H <>S+ 0 0 98 -4,-2.4 5,-0.7 -5,-0.2 -2,-0.2 0.920 114.0 46.1 -59.4 -45.6 31.5 66.7 28.9 128 132 A S H <5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.809 130.0 16.4 -67.6 -35.4 28.4 68.6 27.7 129 133 A H H <5S+ 0 0 73 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.537 131.7 22.7-122.4 -10.7 29.6 72.2 28.1 130 134 A F T X5S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.732 102.1 60.9-127.5 -50.6 33.4 72.3 28.5 131 135 A L H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 109.9 46.5 -58.2 -47.5 34.4 73.4 23.5 134 138 A E H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.915 111.6 49.2 -60.6 -48.4 38.0 73.6 24.8 135 139 A V H X S+ 0 0 83 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.932 112.7 48.7 -58.9 -43.5 39.3 71.0 22.3 136 140 A K H X S+ 0 0 131 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.904 113.0 47.6 -61.9 -41.3 37.6 72.9 19.4 137 141 A L H X S+ 0 0 15 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.907 111.0 49.8 -69.3 -42.4 39.0 76.2 20.6 138 142 A I H X S+ 0 0 33 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.900 110.6 51.1 -62.9 -41.8 42.6 74.9 21.1 139 143 A K H X S+ 0 0 128 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.917 110.5 49.4 -58.2 -45.9 42.4 73.4 17.5 140 144 A K H X S+ 0 0 101 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.931 112.4 47.2 -60.4 -47.4 41.3 76.8 16.1 141 145 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.867 110.9 51.8 -62.9 -37.9 44.1 78.6 18.0 142 146 A G H X S+ 0 0 26 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.915 110.0 49.1 -65.1 -40.9 46.7 76.1 16.7 143 147 A D H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 112.0 49.3 -61.5 -46.2 45.4 76.6 13.2 144 148 A H H X S+ 0 0 23 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.936 110.1 50.8 -58.8 -46.8 45.7 80.4 13.6 145 149 A L H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.902 108.7 51.1 -60.0 -44.7 49.2 80.1 15.0 146 150 A T H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.937 113.2 46.6 -56.4 -45.9 50.4 77.9 12.1 147 151 A N H X S+ 0 0 59 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.915 113.4 46.8 -65.0 -42.1 49.0 80.5 9.7 148 152 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.911 113.3 48.6 -66.2 -40.7 50.5 83.5 11.5 149 153 A Q H X S+ 0 0 87 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.891 110.4 51.4 -69.6 -38.0 53.9 81.8 11.8 150 154 A R H X S+ 0 0 159 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.900 114.3 45.5 -59.8 -40.2 53.8 80.9 8.1 151 155 A L H X S+ 0 0 48 -4,-1.9 4,-1.6 1,-0.2 8,-0.3 0.895 113.2 45.7 -71.4 -43.7 53.0 84.5 7.3 152 156 A V H < S+ 0 0 39 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.584 101.0 68.5 -83.2 -10.4 55.6 86.2 9.5 153 157 A G H < S+ 0 0 65 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.920 106.3 41.5 -64.3 -46.4 58.3 83.9 8.3 154 158 A S H < S- 0 0 105 -4,-0.9 2,-0.3 -3,-0.2 -2,-0.2 0.975 142.7 -21.3 -65.3 -60.4 58.1 85.5 4.9 155 159 A Q X - 0 0 132 -4,-1.6 4,-2.4 1,-0.1 -1,-0.2 -0.871 61.0-145.1-159.0 119.3 57.8 89.2 6.0 156 160 A A H > S+ 0 0 58 -4,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.892 92.5 40.7 -60.8 -53.7 56.6 90.2 9.5 157 161 A G H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.948 118.7 45.7 -62.6 -52.3 54.6 93.4 9.0 158 162 A L H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 112.2 53.7 -55.1 -45.8 52.8 92.3 5.8 159 163 A G H X S+ 0 0 2 -4,-2.4 4,-2.5 -8,-0.3 -2,-0.2 0.918 107.3 48.4 -58.6 -49.0 52.1 88.9 7.4 160 164 A E H X S+ 0 0 39 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.900 113.4 48.1 -61.5 -42.4 50.3 90.3 10.5 161 165 A Y H X S+ 0 0 138 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.938 111.5 49.1 -61.8 -47.7 48.2 92.6 8.4 162 166 A L H X S+ 0 0 69 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.916 111.4 49.9 -61.6 -41.6 47.2 89.9 6.0 163 167 A F H X>S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-1.6 0.937 112.0 47.1 -63.2 -45.4 46.2 87.5 8.7 164 168 A E H <>S+ 0 0 5 -4,-2.2 5,-2.3 -5,-0.2 -1,-0.2 0.900 118.8 41.4 -63.6 -38.8 44.1 90.1 10.5 165 169 A R H <5S+ 0 0 90 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.875 124.6 31.1 -76.2 -40.6 42.3 91.2 7.3 166 170 A L H <5S+ 0 0 140 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.628 131.3 24.6-104.8 -15.5 41.7 87.8 5.6 167 171 A T T <5S+ 0 0 74 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.753 128.8 27.7-108.1 -49.8 41.3 85.4 8.6 168 172 A L T