==== 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 30-OCT-08 3F37 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR L.S.VEDULA,N.J.ECONOMOU,M.J.ROSSI,R.G.ECKENHOFF,P.J.LOLL . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 77.4 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 1 0 0 0 0 0 0 3 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 75 0, 0.0 3,-0.5 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 141.7 51.5 18.1 21.7 2 3 A Q + 0 0 195 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.697 360.0 42.0 -59.4 -22.3 51.4 19.7 18.2 3 4 A I S S+ 0 0 87 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.630 83.9 118.8-102.2 -14.5 47.7 20.5 18.9 4 5 A R + 0 0 71 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.311 32.9 161.4 -65.1 128.6 48.0 21.7 22.5 5 6 A Q - 0 0 157 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.937 64.0 -10.6-151.5 124.1 46.9 25.3 23.0 6 7 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.821 91.9 131.5 59.9 32.3 45.8 27.1 26.1 7 8 A Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.908 46.4-148.7-122.6 102.7 45.7 23.8 28.1 8 9 A S > - 0 0 18 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.234 20.9-124.8 -73.8 156.5 47.5 24.0 31.4 9 10 A T H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.847 112.5 58.9 -64.8 -29.8 49.3 21.2 33.1 10 11 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 108.8 42.3 -66.5 -44.0 47.1 21.9 36.2 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 111.6 55.5 -67.4 -44.8 43.9 21.3 34.2 12 13 A E H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.929 112.1 43.5 -51.9 -48.4 45.4 18.3 32.5 13 14 A A H X S+ 0 0 37 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.894 112.9 51.3 -65.5 -41.2 46.2 16.7 35.9 14 15 A A H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.842 107.3 53.9 -66.2 -34.7 42.8 17.7 37.4 15 16 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.919 107.8 50.4 -64.8 -42.8 41.0 16.1 34.4 16 17 A N H X S+ 0 0 19 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.907 110.5 49.5 -61.6 -40.7 42.9 12.8 35.0 17 18 A R H X S+ 0 0 151 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.912 109.3 51.8 -62.7 -40.7 41.8 12.9 38.6 18 19 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.868 105.2 55.5 -66.5 -35.6 38.2 13.6 37.6 19 20 A V H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.924 108.4 49.2 -59.0 -43.8 38.3 10.5 35.3 20 21 A N H X S+ 0 0 38 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.934 110.1 50.4 -63.7 -42.1 39.4 8.5 38.3 21 22 A L H X S+ 0 0 76 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.893 111.8 48.0 -63.6 -40.0 36.6 9.9 40.4 22 23 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.895 112.7 47.5 -67.8 -41.5 34.0 9.1 37.7 23 24 A L H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.890 111.8 50.8 -66.3 -37.9 35.3 5.6 37.2 24 25 A R H X S+ 0 0 80 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.910 109.8 50.5 -63.8 -41.5 35.3 5.1 41.0 25 26 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 108.9 52.1 -60.2 -43.4 31.7 6.3 41.1 26 27 A S H X S+ 0 0 20 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 110.2 48.2 -59.1 -43.7 30.8 3.9 38.3 27 28 A Y H X S+ 0 0 100 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.891 109.1 53.0 -63.2 -41.5 32.3 1.0 40.3 28 29 A T H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.920 110.0 48.4 -59.7 -42.9 30.5 2.1 43.5 29 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.835 106.8 55.8 -69.8 -31.4 27.2 2.0 41.5 30 31 A L H X S+ 0 0 71 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.922 110.5 46.3 -61.5 -45.3 28.1 -1.4 40.1 31 32 A S H X S+ 0 0 35 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.924 112.6 49.2 -63.2 -45.1 28.4 -2.6 43.7 32 33 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.935 110.8 51.7 -58.3 -46.2 25.2 -1.0 44.8 33 34 A G H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.942 111.6 44.3 -59.0 -50.0 23.3 -2.5 41.8 34 35 A F H < S+ 0 0 94 -4,-2.4 3,-0.3 1,-0.2 4,-0.3 0.809 106.5 60.7 -71.1 -25.0 24.4 -6.0 42.5 35 36 A Y H >< S+ 0 0 31 -4,-1.9 3,-1.6 1,-0.2 7,-0.3 0.934 105.0 48.9 -62.5 -42.2 23.8 -5.7 46.2 36 37 A F H 3< S+ 0 0 0 -4,-1.8 7,-2.4 1,-0.3 11,-0.3 0.660 104.6 60.8 -75.6 -9.7 20.1 -5.0 45.4 37 38 A D T 3< S+ 0 0 99 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.463 78.3 116.8 -89.1 -6.3 20.1 -8.1 43.1 38 39 A R S X> S- 0 0 84 -3,-1.6 4,-2.5 -4,-0.3 3,-2.0 -0.368 76.0-124.4 -59.9 142.5 21.0 -10.4 46.1 39 40 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.775 112.3 53.1 -62.2 -24.5 18.2 -12.9 46.8 40 41 A D T 34 S+ 0 0 101 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.255 120.9 31.1 -94.4 12.2 18.1 -11.7 50.4 41 42 A V T <4 S+ 0 0 31 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.541 79.2 171.6-125.4 -61.2 17.6 -8.1 49.3 42 43 A A < + 0 0 64 -4,-2.5 2,-0.4 -7,-0.3 -5,-0.2 0.898 15.9 145.3 56.3 57.8 15.7 -8.5 46.0 43 44 A L >> - 0 0 16 -7,-2.4 4,-2.4 1,-0.1 3,-0.8 -0.795 21.4-178.8-122.1 89.0 14.7 -5.0 45.0 44 45 A E H 3> S+ 0 0 145 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.864 78.2 54.7 -63.2 -38.6 15.0 -5.1 41.2 45 46 A G H 3> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.841 110.7 47.3 -61.4 -35.4 14.0 -1.5 40.6 46 47 A V H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 5,-0.3 0.902 110.5 51.5 -73.8 -43.5 16.7 -0.3 42.9 47 48 A C H X S+ 0 0 12 -4,-2.4 4,-2.6 -11,-0.3 5,-0.2 0.951 112.0 47.2 -54.9 -46.7 19.2 -2.6 41.2 48 49 A H H X S+ 0 0 114 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.906 108.1 55.9 -63.6 -40.9 18.2 -1.2 37.8 49 50 A F H X S+ 0 0 25 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.938 113.7 39.8 -56.6 -49.6 18.5 2.4 39.2 50 51 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 112.0 54.4 -75.4 -35.8 22.1 1.9 40.3 51 52 A R H X S+ 0 0 123 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.915 108.0 51.7 -63.5 -36.7 23.2 -0.1 37.3 52 53 A E H X S+ 0 0 71 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.899 109.3 50.1 -62.4 -40.1 21.9 2.7 35.0 53 54 A L H X S+ 0 0 5 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.875 104.7 57.2 -67.4 -35.8 24.0 5.1 37.1 54 55 A A H X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.934 109.1 47.1 -57.4 -43.2 27.1 2.9 36.8 55 56 A E H X S+ 0 0 77 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.938 110.6 51.4 -64.3 -45.2 26.7 3.2 33.0 56 57 A E H X S+ 0 0 66 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.883 110.6 48.2 -59.9 -41.4 26.2 7.0 33.2 57 58 A K H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.888 110.1 50.9 -70.4 -38.8 29.3 7.6 35.2 58 59 A R H X S+ 0 0 93 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.934 109.7 51.4 -61.3 -42.7 31.5 5.4 33.0 59 60 A E H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.893 107.3 53.5 -60.9 -38.2 30.2 7.4 30.0 60 61 A G H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.924 108.8 48.9 -61.1 -47.3 31.2 10.6 31.9 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.904 110.5 50.7 -58.2 -42.3 34.7 9.3 32.3 62 63 A E H X S+ 0 0 93 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.886 108.4 51.8 -65.9 -37.1 34.9 8.3 28.7 63 64 A R H X S+ 0 0 110 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 110.2 49.4 -63.9 -41.7 33.8 11.8 27.6 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.900 110.7 49.9 -62.3 -40.6 36.5 13.3 29.9 65 66 A L H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.896 109.7 51.0 -67.4 -40.4 39.1 11.0 28.3 66 67 A K H X S+ 0 0 141 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 111.7 48.0 -58.9 -45.2 38.0 12.0 24.8 67 68 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.907 105.8 57.7 -64.0 -43.0 38.3 15.7 25.8 68 69 A Q H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.6 0.946 111.7 42.3 -51.9 -50.9 41.8 15.1 27.3 69 70 A N H ><5S+ 0 0 93 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.869 109.1 57.7 -65.4 -37.9 43.0 13.8 23.9 70 71 A Q H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.6 45.0 -60.1 -33.4 41.1 16.5 22.0 71 72 A R H 3<5S- 0 0 26 -4,-2.2 -66,-0.5 -3,-0.2 -1,-0.2 0.528 118.9-109.9 -87.8 -7.3 43.1 19.1 24.0 72 73 A G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.623 72.8 135.3 85.8 11.8 46.4 17.3 23.6 73 74 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.2 -0.308 55.4-114.8 -80.1 174.4 46.7 16.3 27.2 74 75 A R - 0 0 132 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.955 19.5-128.9-123.6 119.0 47.8 12.8 28.2 75 76 A A - 0 0 33 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.419 26.1-175.2 -62.5 132.0 45.5 10.4 29.9 76 77 A L - 0 0 111 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.993 9.7-153.0-131.2 126.1 47.0 8.8 33.0 77 78 A F - 0 0 125 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.749 9.3-169.8-101.8 145.6 45.1 6.2 34.9 78 79 A Q - 0 0 133 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.784 41.0 -69.9-118.6 171.5 45.4 5.3 38.6 79 80 A D - 0 0 124 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.230 44.6-126.3 -53.8 149.7 44.0 2.4 40.6 80 81 A L - 0 0 70 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.901 26.3-133.3 -99.6 111.7 40.3 2.4 41.1 81 82 A Q - 0 0 111 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.365 24.5-107.1 -63.4 138.7 39.7 2.1 44.8 82 83 A K - 0 0 138 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.273 49.7 -83.7 -60.2 151.8 37.1 -0.4 45.9 83 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.168 38.3-111.2 -59.4 158.6 33.8 1.0 47.0 84 85 A S S S+ 0 0 88 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.647 96.5 35.5 -68.5 -20.4 33.5 2.2 50.6 85 86 A Q - 0 0 109 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.943 54.0-157.4-133.4 154.2 31.0 -0.6 51.7 86 87 A D S S+ 0 0 124 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.683 92.9 33.6 -96.6 -27.8 30.5 -4.2 50.8 87 88 A E - 0 0 116 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.981 68.8-157.6-129.7 141.2 26.8 -4.2 51.9 88 89 A W - 0 0 13 -2,-0.4 9,-0.2 1,-0.3 2,-0.1 0.318 21.9-145.2-112.6 8.9 24.6 -1.2 51.5 89 90 A G - 0 0 29 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.385 56.0 -5.6 71.4-138.9 21.8 -1.6 54.0 90 91 A T S > S- 0 0 56 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.331 73.7-101.4 -87.2 172.2 18.3 -0.3 53.1 91 92 A T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 126.4 54.2 -57.9 -38.5 17.2 1.6 50.0 92 93 A L H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 108.6 46.5 -59.4 -48.6 17.3 4.6 52.2 93 94 A D H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 113.9 49.4 -59.4 -43.7 20.9 4.0 53.3 94 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.902 110.3 48.8 -65.1 -42.5 21.9 3.4 49.7 95 96 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.871 110.7 51.6 -67.9 -35.1 20.2 6.6 48.3 96 97 A K H X S+ 0 0 87 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.4 48.7 -63.8 -46.3 21.8 8.6 51.1 97 98 A A H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.885 110.9 51.7 -59.1 -39.8 25.2 7.1 50.1 98 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.903 108.3 49.1 -65.7 -42.1 24.5 7.9 46.4 99 100 A I H X S+ 0 0 30 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.911 110.5 51.7 -67.4 -37.2 23.6 11.6 47.1 100 101 A V H X S+ 0 0 100 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.934 112.0 47.9 -57.4 -46.7 26.9 11.9 49.1 101 102 A L H X S+ 0 0 29 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 112.2 47.5 -60.8 -48.5 28.8 10.4 46.2 102 103 A E H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.889 109.4 53.2 -63.3 -39.8 27.1 12.7 43.6 103 104 A K H X S+ 0 0 130 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.874 108.6 51.3 -63.9 -34.3 27.7 15.8 45.7 104 105 A S H X S+ 0 0 65 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.904 111.3 46.7 -69.9 -38.3 31.4 14.9 45.9 105 106 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.9 51.5 -64.8 -43.8 31.5 14.5 42.1 106 107 A N H X S+ 0 0 29 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.910 108.2 51.6 -60.9 -42.1 29.7 17.8 41.7 107 108 A Q H X S+ 0 0 97 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.904 108.9 50.8 -62.1 -39.9 32.2 19.5 44.0 108 109 A A H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.898 110.1 50.0 -63.0 -40.0 35.1 18.1 41.9 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 111.8 47.9 -61.4 -43.4 33.4 19.5 38.8 110 111 A L H X S+ 0 0 74 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.885 110.6 51.6 -65.4 -40.5 33.0 22.9 40.5 111 112 A D H X S+ 0 0 94 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.913 111.5 47.1 -61.9 -43.6 36.6 22.8 41.6 112 113 A L H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.899 110.2 52.6 -67.3 -38.6 37.8 22.1 38.0 113 114 A H H X S+ 0 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