==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 04-DEC-09 3KXU . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.GRANIER,B.GALLOIS,B.LANGLOIS D'ESTAINTOT,P.AROSIO . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 76.3 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 1 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 0 143 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 145.4 -19.2 54.3 24.1 2 3 A S > - 0 0 27 71,-0.4 3,-0.9 1,-0.1 72,-0.0 -0.238 360.0-124.6 -56.9 143.6 -17.9 51.6 21.8 3 4 A Q T 3 S+ 0 0 197 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.679 111.7 44.4 -58.3 -23.0 -19.5 51.5 18.3 4 5 A I T 3 S+ 0 0 91 69,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.581 82.6 121.0 -97.2 -13.4 -20.4 47.8 19.0 5 6 A R < + 0 0 57 -3,-0.9 2,-0.3 68,-0.2 68,-0.1 -0.292 29.8 159.3 -66.6 131.9 -21.7 48.1 22.5 6 7 A Q - 0 0 159 66,-0.5 3,-0.1 -2,-0.0 -3,-0.0 -0.927 65.8 -10.4-157.0 123.0 -25.3 46.9 23.0 7 8 A N S S+ 0 0 89 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.758 90.1 136.5 57.9 31.0 -27.1 45.8 26.1 8 9 A Y - 0 0 12 64,-0.1 -1,-0.2 114,-0.0 2,-0.1 -0.901 47.3-141.5-115.4 102.8 -23.9 45.7 28.1 9 10 A S > - 0 0 24 -2,-0.7 4,-2.7 1,-0.1 5,-0.2 -0.319 12.0-136.1 -59.6 135.3 -24.1 47.2 31.6 10 11 A T H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.801 110.1 58.1 -59.5 -27.6 -21.2 49.3 32.9 11 12 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 106.7 45.6 -69.5 -42.8 -21.8 47.3 36.1 12 13 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.925 110.2 54.4 -63.9 -45.7 -21.2 44.1 34.3 13 14 A E H X S+ 0 0 29 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.932 112.4 44.3 -52.1 -48.3 -18.1 45.5 32.5 14 15 A A H X S+ 0 0 56 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.887 111.9 51.2 -64.4 -42.4 -16.7 46.4 35.9 15 16 A A H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.857 108.4 53.7 -65.7 -36.0 -17.6 43.0 37.5 16 17 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.925 108.2 49.2 -62.1 -47.2 -15.9 41.3 34.6 17 18 A N H X S+ 0 0 18 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.917 111.7 49.0 -56.6 -43.7 -12.7 43.2 35.2 18 19 A S H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 110.6 50.4 -62.6 -41.2 -12.9 42.3 38.9 19 20 A L H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.876 105.5 56.2 -66.5 -38.3 -13.5 38.6 38.0 20 21 A V H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.937 108.0 49.2 -56.2 -47.0 -10.4 38.7 35.7 21 22 A N H X S+ 0 0 35 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.921 109.3 51.6 -57.1 -42.7 -8.4 39.9 38.7 22 23 A L H X S+ 0 0 31 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 112.5 45.9 -62.9 -42.7 -9.8 37.0 40.8 23 24 A Y H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.866 110.5 52.5 -65.4 -41.2 -8.8 34.5 38.1 24 25 A L H X S+ 0 0 29 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.944 112.3 47.1 -56.8 -46.4 -5.3 36.1 37.8 25 26 A Q H X S+ 0 0 45 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.891 111.8 50.1 -62.0 -40.5 -5.0 35.7 41.6 26 27 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.914 109.0 50.4 -68.1 -40.4 -6.3 32.1 41.4 27 28 A S H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.903 110.5 52.1 -62.1 -38.5 -3.8 31.1 38.6 28 29 A Y H X S+ 0 0 111 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 107.2 51.3 -64.4 -45.0 -1.1 32.7 40.8 29 30 A T H X S+ 0 0 17 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.906 110.8 48.7 -57.4 -44.0 -2.1 30.6 43.8 30 31 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.878 107.1 55.3 -70.0 -32.1 -2.0 27.4 41.6 31 32 A L H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.946 111.2 45.6 -59.3 -46.9 1.5 28.4 40.3 32 33 A S H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 113.0 48.9 -64.5 -44.3 2.6 28.6 43.9 33 34 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.913 110.5 52.9 -59.6 -43.3 1.0 25.3 44.9 34 35 A G H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.936 112.5 41.8 -61.5 -48.8 2.5 23.6 41.8 35 36 A F H >X S+ 0 0 89 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.887 107.6 61.6 -72.7 -31.3 6.1 24.6 42.6 36 37 A Y H >< S+ 0 0 32 -4,-2.4 3,-1.2 1,-0.2 7,-0.3 0.927 105.0 48.3 -53.8 -46.8 5.7 23.9 46.3 37 38 A F H 3< S+ 0 0 1 -4,-1.8 7,-2.6 1,-0.3 11,-0.3 0.619 104.5 60.5 -72.6 -11.2 5.0 20.2 45.5 38 39 A D H << S+ 0 0 88 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.430 79.2 117.9 -91.0 -7.3 8.1 20.1 43.2 39 40 A R S XX S- 0 0 80 -3,-1.2 4,-2.5 -4,-0.5 3,-2.1 -0.373 75.8-123.6 -52.4 146.0 10.3 21.0 46.2 40 41 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.771 112.9 51.5 -68.8 -23.0 12.9 18.3 47.0 41 42 A D T 34 S+ 0 0 103 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.297 121.7 31.5 -98.7 10.1 11.5 18.0 50.5 42 43 A V T <4 S+ 0 0 33 -3,-2.1 -2,-0.2 -6,-0.1 -5,-0.1 0.551 80.0 172.0-121.6 -61.2 7.9 17.6 49.3 43 44 A A < + 0 0 65 -4,-2.5 2,-0.4 -7,-0.3 -5,-0.2 0.885 16.4 143.4 58.3 55.0 8.5 15.8 46.0 44 45 A L > - 0 0 74 -7,-2.6 4,-2.5 1,-0.1 3,-0.3 -0.799 21.5-179.4-122.1 90.1 5.0 14.8 44.8 45 46 A E H > S+ 0 0 120 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.841 80.3 54.2 -61.5 -37.4 5.1 15.2 41.0 46 47 A G H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 112.3 43.8 -63.9 -40.5 1.4 14.1 40.5 47 48 A V H > S+ 0 0 25 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.918 113.7 51.3 -68.7 -45.4 0.2 16.8 43.0 48 49 A S H X S+ 0 0 3 -4,-2.5 4,-2.7 -11,-0.3 -2,-0.2 0.932 111.8 47.5 -54.5 -48.7 2.6 19.4 41.4 49 50 A H H X S+ 0 0 101 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.905 108.0 55.6 -61.7 -43.7 1.2 18.5 38.0 50 51 A F H X S+ 0 0 44 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.927 113.4 40.6 -53.2 -51.0 -2.4 18.7 39.2 51 52 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 112.3 54.3 -70.8 -38.0 -1.9 22.2 40.5 52 53 A R H X S+ 0 0 123 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.908 108.2 50.6 -62.3 -38.1 0.1 23.4 37.5 53 54 A E H X S+ 0 0 78 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.879 108.4 52.6 -66.9 -37.7 -2.7 22.2 35.2 54 55 A L H X S+ 0 0 12 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.883 103.1 57.1 -63.4 -39.7 -5.2 24.2 37.3 55 56 A A H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.937 109.2 47.6 -53.4 -44.1 -3.0 27.3 36.9 56 57 A E H X S+ 0 0 66 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.892 109.5 51.6 -64.4 -42.4 -3.4 26.8 33.1 57 58 A E H X S+ 0 0 81 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.877 109.4 50.0 -64.9 -36.2 -7.1 26.3 33.4 58 59 A K H X S+ 0 0 9 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.861 109.0 52.5 -71.8 -32.2 -7.5 29.6 35.4 59 60 A R H X S+ 0 0 90 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.915 106.5 52.6 -64.3 -42.5 -5.4 31.4 32.8 60 61 A E H X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.891 108.5 54.1 -57.0 -39.9 -7.8 30.0 30.1 61 62 A G H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 110.1 42.2 -58.7 -54.5 -10.6 31.5 32.2 62 63 A Y H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.902 113.0 54.3 -70.4 -30.4 -9.3 35.0 32.5 63 64 A E H X S+ 0 0 103 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.909 109.5 48.4 -63.6 -39.3 -8.3 35.0 28.8 64 65 A R H X S+ 0 0 111 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.920 110.8 50.5 -66.5 -41.6 -11.9 34.0 27.9 65 66 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.902 111.7 48.2 -59.5 -45.0 -13.3 36.7 30.1 66 67 A L H X S+ 0 0 34 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.890 110.7 50.7 -65.2 -41.2 -11.0 39.3 28.4 67 68 A K H X S+ 0 0 90 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.4 47.0 -58.8 -47.1 -12.0 38.1 25.0 68 69 A M H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.898 106.8 58.0 -62.1 -41.6 -15.7 38.4 25.9 69 70 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.5 0.936 111.6 42.0 -53.3 -49.1 -15.1 41.9 27.4 70 71 A N H ><5S+ 0 0 95 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.875 109.3 58.0 -67.4 -39.1 -13.7 43.0 24.0 71 72 A Q H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.7 44.2 -57.4 -36.2 -16.5 41.2 22.1 72 73 A R H 3<5S- 0 0 25 -4,-2.1 -66,-0.5 -3,-0.2 -1,-0.2 0.511 119.5-108.2 -86.2 -7.7 -19.1 43.2 24.1 73 74 A G T <<5S+ 0 0 2 -3,-0.9 -71,-0.4 -4,-0.5 -3,-0.2 0.537 73.9 137.1 85.7 10.1 -17.2 46.6 23.7 74 75 A G < - 0 0 0 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.251 51.5-119.1 -75.5 174.8 -16.2 46.7 27.3 75 76 A R - 0 0 127 -3,-0.1 2,-0.1 -2,-0.1 -58,-0.1 -0.973 15.6-126.0-131.5 118.3 -12.7 47.8 28.3 76 77 A A - 0 0 37 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.395 26.0-175.6 -60.9 131.5 -10.1 45.7 30.2 77 78 A L - 0 0 115 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.978 10.0-155.1-133.4 122.3 -8.8 47.4 33.3 78 79 A F - 0 0 121 -2,-0.4 2,-0.2 -58,-0.1 -60,-0.1 -0.725 9.9-173.3-102.7 141.9 -6.0 45.6 35.2 79 80 A Q - 0 0 138 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.750 42.5 -69.1-121.7 168.9 -5.1 45.9 38.9 80 81 A D - 0 0 154 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.312 48.2-127.6 -53.3 142.2 -2.3 44.6 41.0 81 82 A I - 0 0 74 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.1 -0.876 22.6-129.5 -97.7 115.7 -2.4 40.8 41.5 82 83 A K - 0 0 71 -2,-0.7 -54,-0.1 1,-0.1 3,-0.1 -0.338 25.0-111.3 -63.4 140.5 -2.2 39.9 45.2 83 84 A K - 0 0 134 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.211 47.0 -80.3 -64.4 158.8 0.3 37.2 46.1 84 85 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.238 38.6-114.7 -64.5 159.0 -1.0 33.8 47.3 85 86 A A S S+ 0 0 89 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.695 95.0 35.0 -73.2 -23.4 -2.2 33.5 50.9 86 87 A E - 0 0 109 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.927 52.6-159.2-129.7 152.6 0.6 31.0 51.9 87 88 A D S S+ 0 0 123 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.660 94.9 35.7 -94.1 -27.5 4.3 30.5 51.0 88 89 A E - 0 0 113 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.994 68.8-162.3-130.4 133.6 4.1 26.9 52.2 89 90 A W - 0 0 20 -2,-0.4 9,-0.2 1,-0.3 6,-0.1 0.233 25.2-140.2-108.4 9.6 1.0 24.8 51.7 90 91 A G - 0 0 32 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.362 54.1 -12.7 74.0-143.5 1.4 21.8 54.1 91 92 A K S > S- 0 0 156 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.456 79.2 -91.7 -91.4 169.3 0.5 18.2 53.2 92 93 A T H > S+ 0 0 22 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.878 126.1 50.4 -48.5 -47.2 -1.6 17.2 50.2 93 94 A P H > S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.891 109.2 50.7 -62.7 -39.0 -4.9 17.4 52.1 94 95 A D H > S+ 0 0 80 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.941 114.0 46.2 -58.9 -46.9 -4.2 20.9 53.4 95 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.907 112.2 49.1 -60.8 -45.9 -3.4 22.0 49.8 96 97 A M H X S+ 0 0 8 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.860 110.2 52.0 -66.4 -35.0 -6.4 20.3 48.4 97 98 A K H X S+ 0 0 125 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.884 109.8 49.2 -66.2 -40.0 -8.6 22.0 51.1 98 99 A A H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.917 110.7 51.5 -62.3 -44.4 -7.1 25.3 50.1 99 100 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.907 109.4 47.7 -60.8 -44.0 -7.8 24.6 46.5 100 101 A M H X S+ 0 0 45 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.894 110.4 52.8 -71.3 -32.1 -11.5 23.7 47.1 101 102 A A H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.923 110.3 48.8 -61.6 -41.7 -11.9 26.9 49.1 102 103 A L H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 111.7 48.4 -60.6 -45.6 -10.5 28.8 46.2 103 104 A E H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.880 109.4 52.6 -66.5 -37.5 -12.8 27.1 43.7 104 105 A K H X S+ 0 0 129 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.887 109.6 49.9 -63.3 -38.1 -15.8 27.8 46.0 105 106 A K H X S+ 0 0 85 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 112.9 46.2 -62.6 -46.8 -14.8 31.5 46.1 106 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.912 111.6 51.5 -63.0 -42.6 -14.5 31.6 42.3 107 108 A N H X S+ 0 0 29 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.897 109.4 49.8 -63.3 -42.3 -17.8 29.8 41.9 108 109 A Q H X S+ 0 0 102 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.910 109.9 51.4 -62.0 -40.8 -19.5 32.3 44.2 109 110 A A H X S+ 0 0 24 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 111.3 48.1 -61.8 -41.9 -18.0 35.1 42.1 110 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.908 112.2 48.1 -60.1 -47.4 -19.4 33.5 39.0 111 112 A L H X S+ 0 0 71 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.917 112.3 49.9 -61.2 -41.5 -22.8 33.0 40.6 112 113 A D H X S+ 0 0 94 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.921 110.9 48.9 -64.4 -41.9 -22.7 36.7 41.7 113 114 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 110.8 50.7 -65.1 -41.6 -21.8 37.8 38.2 114 115 A H H X S+ 0 0 52 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.922 109.6 50.0 -59.3 -45.8 -24.6 35.7 36.8 115 116 A A H X S+ 0 0 56 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.907 109.8 52.2 -59.7 -41.3 -27.1 37.3 39.2 116 117 A L H X S+ 0 0 41 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.938 111.3 46.0 -60.6 -47.4 -25.8 40.7 38.2 117 118 A G H <>S+ 0 0 2 -4,-2.5 5,-2.1 2,-0.2 -2,-0.2 0.891 110.7 52.8 -63.1 -40.1 -26.4 39.9 34.5 118 119 A S H ><5S+ 0 0 77 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.938 109.1 49.8 -58.8 -45.0 -29.8 38.5 35.2 119 120 A A H 3<5S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 114.3 45.2 -62.3 -35.4 -30.7 41.8 37.0 120 121 A R T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.267 113.7-121.4 -91.6 10.5 -29.4 43.7 34.0 121 122 A T T < 5 + 0 0 104 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.932 56.0 155.9 46.3 61.8 -31.3 41.3 31.6 122 123 A D >< + 0 0 5 -5,-2.1 4,-1.7 1,-0.1 -1,-0.2 -0.803 15.6 172.1-118.4 85.6 -28.1 40.3 29.7 123 124 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.783 76.6 61.2 -71.2 -23.2 -28.7 36.9 28.2 124 125 A H H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 106.7 46.0 -63.2 -46.4 -25.5 36.9 26.2 125 126 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 111.1 53.5 -60.3 -43.2 -23.6 37.1 29.5 126 127 A C H X S+ 0 0 30 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.951 110.6 45.6 -55.0 -54.2 -25.8 34.3 31.0 127 128 A D H X S+ 0 0 90 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.884 111.2 54.1 -57.9 -41.9 -25.0 32.0 28.0 128 129 A F H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.934 112.0 43.0 -58.5 -50.3 -21.3 32.8 28.2 129 130 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-2.2 0.900 115.9 47.8 -63.2 -44.3 -21.1 31.9 31.9 130 131 A E H <>S+ 0 0 105 -4,-2.7 5,-0.7 -5,-0.2 -2,-0.2 0.899 115.9 45.2 -62.7 -41.2 -23.2 28.7 31.5 131 132 A T H <5S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.867 129.0 19.7 -71.0 -42.6 -21.2 27.6 28.5 132 133 A H H <5S+ 0 0 66 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X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.898 110.3 52.1 -65.8 -40.8 -11.6 18.0 44.6 145 146 A G H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.938 109.6 49.3 -57.9 -50.9 -14.3 16.6 47.0 146 147 A D H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 111.1 50.7 -54.7 -45.4 -13.6 13.1 45.8 147 148 A H H X S+ 0 0 71 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.934 108.5 50.6 -58.2 -48.0 -9.8 13.7 46.2 148 149 A L H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.905 110.3 50.8 -59.7 -40.3 -10.3 14.9 49.8 149 150 A T H X S+ 0 0 79 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.939 114.1 43.6 -62.3 -44.7 -12.4 11.8 50.6 150 151 A N H X S+ 0 0 77 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.856 111.0 53.3 -70.5 -38.3 -9.7 9.5 49.2 151 152 A L H < S+ 0 0 37 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.906 106.5 54.2 -61.4 -41.3 -6.8 11.4 50.8 152 153 A H H < S+ 0 0 166 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.804 103.2 56.9 -61.8 -31.9 -8.6 11.0 54.2 153 154 A R H < S+ 0 0 150 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.814 81.9 100.4 -70.5 -33.9 -8.8 7.2 53.6 154 155 A L S < S+ 0 0 123 -4,-1.2 -3,-0.0 -3,-0.4 0, 0.0 -0.371 79.9 38.3 -53.6 127.8 -5.0 6.9 53.2 155 156 A G 0 0 82 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.857 360.0 360.0 79.6 84.1 -3.8 5.7 56.6 156 157 A G 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.302 360.0 360.0 169.1 360.0 -6.5 3.2 57.5