==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 19-SEP-03 1R03 . COMPND 2 MOLECULE: MITOCHONDRIAL FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.CORSI,P.SANTAMBROGIO,P.AROSIO,S.LEVI,B.LANGLOIS D'ESTAINTO . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 66.5 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 1 0 0 0 0 0 0 0 0 0 0 1 0 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 6 A S > 0 0 82 0, 0.0 3,-0.9 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 131.1 21.3 -17.9 51.5 2 7 A R T 3 + 0 0 249 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.598 360.0 48.7 -71.1 -5.0 18.0 -19.7 51.0 3 8 A V T 3 S+ 0 0 84 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.611 83.4 114.8-102.9 -13.5 18.9 -20.2 47.3 4 9 A R < + 0 0 79 -3,-0.9 2,-0.3 68,-0.2 68,-0.1 -0.325 34.6 157.6 -65.5 131.6 22.4 -21.5 47.8 5 10 A Q - 0 0 155 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.910 64.8 -11.0-158.4 126.5 22.9 -25.1 46.8 6 11 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.808 90.2 136.4 55.5 36.9 26.0 -27.1 45.8 7 12 A F - 0 0 9 64,-0.1 -1,-0.2 117,-0.0 114,-0.0 -0.883 46.1-146.2-120.3 100.6 28.0 -23.8 45.7 8 13 A H >> - 0 0 68 -2,-0.6 4,-2.5 1,-0.1 3,-0.7 -0.339 16.8-128.2 -70.0 139.8 31.4 -24.1 47.4 9 14 A P H 3> S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.832 112.2 56.9 -54.7 -32.6 32.8 -21.1 49.2 10 15 A D H 3> S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.873 106.8 47.6 -66.0 -37.0 36.0 -21.6 47.1 11 16 A S H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.909 110.6 52.6 -67.8 -44.1 34.0 -21.3 43.9 12 17 A E H X S+ 0 0 28 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.944 112.2 45.4 -56.0 -49.2 32.2 -18.2 45.3 13 18 A A H X S+ 0 0 38 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.903 111.8 51.0 -61.8 -44.4 35.6 -16.7 46.0 14 19 A A H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.846 107.4 53.7 -64.6 -33.3 37.1 -17.6 42.7 15 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.897 107.4 51.5 -67.6 -39.2 34.1 -16.1 40.9 16 21 A N H X S+ 0 0 18 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.912 110.7 48.1 -64.9 -39.4 34.8 -12.8 42.8 17 22 A R H X S+ 0 0 162 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 111.9 50.1 -65.0 -39.5 38.4 -12.9 41.7 18 23 A Q H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.890 105.6 56.3 -66.7 -37.5 37.3 -13.6 38.1 19 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.946 108.6 48.2 -58.5 -46.1 34.8 -10.7 38.3 20 25 A N H X S+ 0 0 37 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.928 110.1 51.2 -60.5 -43.6 37.8 -8.4 39.1 21 26 A L H X S+ 0 0 42 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.884 109.2 50.7 -61.7 -39.1 39.9 -9.8 36.3 22 27 A E H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.893 110.6 48.5 -66.8 -37.5 37.1 -9.2 33.8 23 28 A L H X S+ 0 0 34 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.885 111.0 51.9 -68.8 -37.9 36.8 -5.6 35.0 24 29 A Y H X S+ 0 0 41 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.942 108.6 49.8 -62.3 -46.2 40.5 -5.3 34.7 25 30 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.900 109.1 52.5 -60.2 -39.8 40.4 -6.6 31.1 26 31 A S H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.920 109.9 49.0 -60.4 -42.3 37.7 -4.1 30.4 27 32 A Y H X S+ 0 0 104 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.894 108.2 53.0 -65.6 -41.6 39.9 -1.3 31.8 28 33 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.934 111.8 46.0 -59.7 -44.7 42.9 -2.4 29.7 29 34 A Y H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.854 109.9 53.4 -70.3 -29.4 40.9 -2.3 26.6 30 35 A L H X S+ 0 0 66 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.938 109.8 49.4 -68.0 -43.4 39.4 1.1 27.5 31 36 A S H X S+ 0 0 20 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.930 111.9 48.0 -58.8 -46.6 42.9 2.4 27.9 32 37 A M H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.7 0.932 106.6 57.8 -61.3 -42.6 43.9 1.0 24.6 33 38 A A H 3< S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.930 110.7 42.0 -54.7 -46.2 40.9 2.5 22.9 34 39 A Y H 3< S+ 0 0 137 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.645 105.3 62.9 -80.0 -13.8 41.8 6.0 24.0 35 40 A Y H X< S+ 0 0 17 -4,-1.2 3,-1.7 -3,-0.7 7,-0.3 0.902 102.3 53.2 -70.5 -40.4 45.5 5.5 23.2 36 41 A F T 3< S+ 0 0 0 -4,-2.0 7,-1.7 1,-0.3 11,-0.2 0.645 103.3 56.0 -73.4 -10.0 44.5 5.0 19.5 37 42 A S T 3 S+ 0 0 55 -4,-0.5 -1,-0.3 5,-0.2 -2,-0.2 0.289 78.4 120.0-101.9 11.5 42.5 8.2 19.4 38 43 A R S X> S- 0 0 92 -3,-1.7 4,-2.6 1,-0.1 3,-1.7 -0.422 77.4-118.2 -66.5 151.4 45.5 10.3 20.5 39 44 A D T 34 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.787 115.1 52.0 -65.5 -23.8 46.4 12.9 17.9 40 45 A D T 34 S+ 0 0 97 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.145 121.6 29.0 -98.5 19.3 49.8 11.3 17.5 41 46 A V T <4 S+ 0 0 29 -3,-1.7 -2,-0.2 -5,-0.1 -5,-0.1 0.404 75.2 169.4-134.3 -59.5 48.4 7.8 17.0 42 47 A A < + 0 0 55 -4,-2.6 2,-0.8 -7,-0.3 -5,-0.2 0.788 14.9 147.4 46.0 47.1 45.0 8.4 15.4 43 48 A L > - 0 0 16 -7,-1.7 4,-2.2 1,-0.1 3,-0.3 -0.843 23.4-176.2-106.0 91.2 44.0 4.9 14.3 44 49 A N H > S+ 0 0 83 -2,-0.8 4,-2.3 1,-0.2 -1,-0.1 0.760 76.6 51.1 -64.1 -27.5 40.3 5.3 14.7 45 50 A N H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.816 108.9 51.2 -82.6 -27.9 39.4 1.7 13.9 46 51 A F H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.908 111.3 51.1 -66.8 -40.9 41.9 0.3 16.3 47 52 A S H X S+ 0 0 14 -4,-2.2 4,-2.3 -11,-0.2 -2,-0.2 0.966 112.7 43.5 -59.3 -50.0 40.3 2.7 18.8 48 53 A R H X S+ 0 0 146 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.874 111.3 55.5 -63.5 -37.6 36.8 1.4 18.0 49 54 A Y H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.946 112.3 41.2 -61.2 -49.9 37.9 -2.2 18.1 50 55 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.869 111.4 56.0 -69.6 -32.6 39.4 -1.9 21.6 51 56 A L H X S+ 0 0 28 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.926 108.6 48.7 -64.6 -40.5 36.5 0.1 22.8 52 57 A H H X S+ 0 0 100 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.916 110.2 50.8 -64.1 -41.3 34.2 -2.7 21.7 53 58 A Q H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 107.7 54.8 -62.1 -40.1 36.4 -5.2 23.4 54 59 A S H X S+ 0 0 7 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.923 108.1 48.0 -58.8 -44.4 36.2 -3.1 26.6 55 60 A R H X S+ 0 0 160 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.841 108.5 54.0 -67.3 -31.8 32.5 -3.2 26.5 56 61 A E H X S+ 0 0 59 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.894 106.2 53.1 -68.9 -39.0 32.4 -6.9 26.0 57 62 A E H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.877 104.4 55.4 -63.4 -38.1 34.6 -7.4 29.0 58 63 A T H X S+ 0 0 50 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.919 107.6 49.5 -60.3 -41.5 32.2 -5.4 31.2 59 64 A E H X S+ 0 0 78 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.889 107.0 55.2 -66.2 -34.9 29.5 -7.8 30.1 60 65 A H H X S+ 0 0 20 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.918 110.1 46.9 -60.3 -43.2 31.7 -10.7 31.0 61 66 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.943 110.7 51.4 -63.9 -45.6 32.0 -9.2 34.5 62 67 A E H X S+ 0 0 107 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.881 105.7 54.4 -60.0 -38.3 28.3 -8.6 34.8 63 68 A K H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.880 109.7 48.1 -64.7 -35.5 27.4 -12.2 33.9 64 69 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.2 -1,-0.2 0.873 110.8 50.5 -70.8 -37.2 29.7 -13.4 36.6 65 70 A M H X S+ 0 0 51 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 111.9 48.2 -65.3 -40.0 28.1 -11.0 39.1 66 71 A R H X S+ 0 0 160 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.930 109.9 52.4 -65.4 -42.0 24.7 -12.2 38.0 67 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.920 107.1 53.1 -57.1 -47.0 25.9 -15.8 38.4 68 73 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.8 0.951 112.6 44.0 -54.9 -50.5 27.1 -15.0 42.0 69 74 A N H ><5S+ 0 0 89 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.906 111.5 53.0 -63.7 -40.6 23.7 -13.7 42.8 70 75 A Q H 3<5S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.2 45.3 -60.9 -42.3 21.8 -16.5 41.2 71 76 A R H 3<5S- 0 0 27 -4,-2.7 -66,-0.5 -5,-0.2 -1,-0.2 0.547 118.5-108.6 -80.0 -8.4 23.8 -19.1 43.1 72 77 A G T <<5S+ 0 0 3 -4,-0.8 -3,-0.2 -3,-0.7 -68,-0.2 0.590 73.4 137.1 92.9 8.9 23.4 -17.2 46.4 73 78 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.3 -0.307 53.6-117.4 -80.9 170.8 27.0 -16.1 46.6 74 79 A R - 0 0 130 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.957 19.2-127.1-120.2 123.8 28.0 -12.6 47.7 75 80 A I - 0 0 49 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.444 23.9-173.6 -66.3 130.0 29.8 -10.3 45.3 76 81 A R - 0 0 106 -2,-0.2 2,-0.2 -63,-0.1 -1,-0.0 -0.955 11.7-157.3-129.1 105.2 32.9 -8.8 46.9 77 82 A L - 0 0 103 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.506 8.3-169.0 -84.5 154.7 34.4 -6.2 44.7 78 83 A Q - 0 0 137 -2,-0.2 -2,-0.0 -62,-0.2 0, 0.0 -0.872 40.1 -68.7-134.8 167.3 38.0 -5.1 44.8 79 84 A D - 0 0 127 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.253 45.0-127.1 -54.5 144.5 39.9 -2.2 43.2 80 85 A I - 0 0 75 -57,-0.1 -1,-0.1 -56,-0.0 -59,-0.1 -0.874 30.7-131.5 -96.8 112.4 40.2 -2.4 39.5 81 86 A K - 0 0 136 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.330 19.8-109.7 -65.2 144.7 44.0 -2.1 38.9 82 87 A K - 0 0 149 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.356 45.0 -91.3 -69.0 156.8 45.1 0.4 36.3 83 88 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.227 36.8-107.3 -64.7 159.9 46.5 -1.2 33.1 84 89 A E S S+ 0 0 165 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.726 99.5 23.2 -61.4 -26.4 50.3 -1.8 32.9 85 90 A Q - 0 0 51 1,-0.1 3,-0.1 -57,-0.0 -1,-0.0 -0.963 47.5-163.8-139.2 155.7 50.9 1.1 30.4 86 91 A D S S+ 0 0 123 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.645 91.9 60.3-105.7 -24.9 49.1 4.3 29.4 87 92 A D - 0 0 78 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.887 66.6-171.6-104.1 107.6 51.2 4.5 26.2 88 93 A W - 0 0 8 -2,-0.7 2,-2.7 -57,-0.1 6,-0.2 0.327 24.4-142.8 -86.3 10.3 50.6 1.3 24.2 89 94 A E - 0 0 113 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.251 61.8 -9.6 69.0 -56.5 53.4 2.1 21.7 90 95 A S S > S- 0 0 14 -2,-2.7 4,-2.6 1,-0.1 5,-0.2 -0.982 70.2 -95.7-163.8 169.2 51.7 0.9 18.5 91 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.908 124.5 49.0 -62.6 -39.4 48.8 -1.0 17.0 92 97 A L H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.943 111.0 48.5 -64.7 -48.3 50.9 -4.2 16.9 93 98 A H H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 111.1 50.6 -60.3 -41.9 52.1 -3.8 20.5 94 99 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -6,-0.2 -1,-0.2 0.915 111.0 49.1 -62.9 -40.2 48.5 -3.2 21.7 95 100 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.915 111.0 49.4 -65.7 -40.1 47.4 -6.3 19.8 96 101 A E H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.901 112.6 48.3 -65.1 -38.5 50.2 -8.4 21.4 97 102 A C H X S+ 0 0 28 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.870 110.1 51.3 -66.5 -39.1 49.3 -7.1 24.8 98 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.904 109.0 51.6 -64.3 -39.8 45.7 -7.9 24.2 99 104 A L H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.9 45.8 -61.9 -46.5 46.6 -11.4 23.2 100 105 A L H X S+ 0 0 107 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.932 112.2 52.3 -61.7 -45.0 48.7 -11.9 26.4 101 106 A L H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.940 110.6 47.0 -56.9 -46.8 45.8 -10.5 28.4 102 107 A E H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.857 111.1 50.8 -67.5 -33.2 43.3 -12.9 26.9 103 108 A K H X S+ 0 0 124 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.904 111.7 48.6 -69.2 -38.9 45.6 -15.9 27.4 104 109 A N H X S+ 0 0 94 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.916 112.9 47.0 -65.9 -41.7 46.0 -14.9 31.0 105 110 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.899 111.6 52.0 -66.8 -38.4 42.3 -14.5 31.5 106 111 A N H X S+ 0 0 27 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.920 106.9 52.2 -63.5 -44.4 41.7 -17.8 29.7 107 112 A Q H X S+ 0 0 99 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.934 110.3 49.8 -56.8 -43.8 44.2 -19.5 32.1 108 113 A S H X S+ 0 0 29 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 111.0 48.2 -61.1 -43.5 42.2 -18.0 35.0 109 114 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.875 110.8 51.2 -65.4 -36.5 38.9 -19.3 33.5 110 115 A L H X S+ 0 0 77 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.884 110.1 49.1 -68.3 -38.7 40.4 -22.8 33.0 111 116 A E H X S+ 0 0 112 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.904 110.4 51.6 -65.6 -37.8 41.6 -22.8 36.7 112 117 A L H X S+ 0 0 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