==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-DEC-90 1FHA . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.ARTYMIUK,P.M.HARRISON . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 79.4 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 . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 67.6 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 2 0 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 6 A S > 0 0 85 0, 0.0 3,-0.6 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 141.3 21.9 -18.2 52.4 2 7 A Q T 3 + 0 0 198 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.666 360.0 49.7 -66.2 -18.0 18.6 -20.1 52.2 3 8 A V T 3 S+ 0 0 81 69,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.604 80.5 115.5 -96.8 -22.1 19.5 -20.7 48.5 4 9 A R < + 0 0 87 -3,-0.6 2,-0.3 68,-0.2 68,-0.1 -0.353 35.1 163.2 -61.7 126.3 23.1 -22.0 49.0 5 10 A Q - 0 0 158 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.892 64.2 -16.3-156.9 120.7 23.6 -25.6 47.9 6 11 A N S S+ 0 0 101 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.789 90.0 137.5 55.7 38.1 26.7 -27.6 47.1 7 12 A Y - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 2,-0.2 -0.962 44.7-143.6-114.4 108.6 28.7 -24.3 46.8 8 13 A H > - 0 0 75 -2,-0.6 4,-2.7 1,-0.1 3,-0.3 -0.436 16.1-126.7 -81.3 146.5 32.1 -24.5 48.4 9 14 A Q H > S+ 0 0 55 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.881 113.2 52.8 -50.6 -46.5 33.9 -21.7 50.2 10 15 A D H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.835 108.3 50.4 -63.3 -38.3 36.9 -22.2 48.0 11 16 A S H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.928 110.5 50.3 -65.3 -47.8 34.7 -21.9 44.9 12 17 A E H X S+ 0 0 36 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.947 111.9 46.7 -55.3 -51.4 33.2 -18.7 46.3 13 18 A A H X S+ 0 0 57 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.855 110.1 52.7 -59.8 -40.3 36.6 -17.1 47.0 14 19 A A H X S+ 0 0 26 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.807 105.5 55.6 -66.8 -32.8 38.0 -18.1 43.6 15 20 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.955 105.3 52.0 -66.7 -45.2 35.0 -16.4 42.0 16 21 A N H X S+ 0 0 27 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.854 110.1 49.3 -59.2 -37.5 35.8 -13.1 43.9 17 22 A R H X S+ 0 0 62 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.907 110.0 50.0 -69.4 -41.0 39.4 -13.3 42.5 18 23 A Q H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.913 105.4 57.7 -62.5 -41.9 38.2 -13.9 38.9 19 24 A I H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.877 108.6 46.7 -55.8 -39.1 35.9 -10.9 39.2 20 25 A N H X S+ 0 0 45 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.884 109.1 53.4 -71.6 -43.2 38.9 -8.7 40.1 21 26 A L H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.854 109.7 48.2 -59.1 -43.7 41.1 -10.1 37.2 22 27 A E H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.866 110.6 50.5 -66.6 -38.0 38.4 -9.3 34.7 23 28 A L H X S+ 0 0 37 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.869 110.6 50.7 -63.2 -41.8 37.9 -5.8 36.0 24 29 A Y H X S+ 0 0 60 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.859 107.0 53.3 -65.3 -42.0 41.7 -5.3 35.8 25 30 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.836 106.7 53.1 -64.5 -35.1 41.6 -6.6 32.2 26 31 A S H X S+ 0 0 18 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.884 108.4 51.0 -63.7 -41.2 39.0 -4.0 31.3 27 32 A Y H X S+ 0 0 102 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.925 107.0 51.7 -63.7 -48.2 41.3 -1.3 32.8 28 33 A V H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.952 112.3 46.9 -52.6 -52.8 44.3 -2.4 30.7 29 34 A Y H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.826 107.8 55.7 -60.9 -36.4 42.2 -2.2 27.6 30 35 A L H X S+ 0 0 67 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.866 109.9 47.3 -63.6 -40.5 40.8 1.2 28.5 31 36 A S H X S+ 0 0 34 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.946 109.2 52.1 -64.8 -51.7 44.3 2.5 28.8 32 37 A M H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.4 0.892 106.8 56.7 -55.7 -41.4 45.5 1.0 25.5 33 38 A S H >X S+ 0 0 5 -4,-1.9 3,-0.7 1,-0.2 4,-0.6 0.954 107.4 42.9 -58.0 -57.7 42.5 2.7 23.8 34 39 A Y H 3< S+ 0 0 139 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.631 105.3 67.1 -70.5 -8.6 43.2 6.3 24.7 35 40 A Y H >< S+ 0 0 24 -4,-1.0 3,-1.2 -3,-0.4 7,-0.3 0.915 102.3 45.8 -73.0 -41.9 46.8 5.7 24.0 36 41 A F H << S+ 0 0 1 -4,-1.5 7,-1.6 -3,-0.7 -2,-0.2 0.595 104.6 62.9 -78.1 -7.2 45.9 5.3 20.2 37 42 A D T 3< S+ 0 0 108 -4,-0.6 -1,-0.2 5,-0.2 -2,-0.2 0.456 77.7 114.3 -91.4 -5.7 43.7 8.5 20.4 38 43 A R S X> S- 0 0 105 -3,-1.2 4,-2.6 -4,-0.2 3,-1.6 -0.405 76.5-124.4 -67.8 147.0 46.8 10.6 21.2 39 44 A D T 34 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.666 112.6 54.2 -66.6 -21.3 47.6 13.2 18.5 40 45 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.215 122.7 27.6 -99.1 13.9 51.2 11.7 18.3 41 46 A V T <4 S+ 0 0 34 -3,-1.6 -2,-0.2 -5,-0.1 -5,-0.1 0.487 76.9 170.8-129.6 -65.8 49.8 8.2 17.7 42 47 A A < + 0 0 65 -4,-2.6 2,-0.6 -7,-0.3 -5,-0.2 0.840 15.9 145.6 48.6 59.7 46.4 8.6 16.0 43 48 A L > - 0 0 23 -7,-1.6 4,-2.0 1,-0.1 3,-0.5 -0.845 24.5-174.3-120.4 83.1 45.3 5.1 14.9 44 49 A K H > S+ 0 0 70 -2,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.633 77.9 49.8 -58.6 -25.4 41.5 5.5 15.4 45 50 A N H > S+ 0 0 63 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.774 107.6 53.8 -88.9 -28.2 40.5 1.8 14.6 46 51 A F H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.951 111.3 49.1 -59.7 -51.7 43.1 0.5 17.0 47 52 A A H X S+ 0 0 12 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.886 111.0 47.0 -53.7 -47.1 41.5 2.8 19.6 48 53 A K H X S+ 0 0 56 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.840 109.6 56.6 -68.3 -33.9 37.9 1.6 18.8 49 54 A Y H X S+ 0 0 36 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.930 110.3 41.3 -65.7 -50.1 39.1 -2.1 18.9 50 55 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -17,-0.2 0.670 111.3 57.7 -72.2 -20.8 40.5 -1.9 22.5 51 56 A L H X S+ 0 0 48 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.905 109.0 45.3 -72.9 -42.0 37.5 0.2 23.7 52 57 A H H X S+ 0 0 125 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.875 112.6 51.3 -67.0 -40.3 35.2 -2.5 22.6 53 58 A Q H X S+ 0 0 33 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.881 107.5 54.7 -62.0 -39.5 37.5 -5.1 24.2 54 59 A S H X S+ 0 0 6 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.903 108.5 46.7 -60.9 -47.2 37.4 -3.0 27.4 55 60 A H H X S+ 0 0 115 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.848 109.2 55.6 -65.7 -37.9 33.5 -3.1 27.5 56 61 A E H X S+ 0 0 29 -4,-1.9 4,-2.1 1,-0.2 3,-0.4 0.934 105.8 50.4 -56.9 -54.8 33.5 -6.9 26.9 57 62 A E H X S+ 0 0 5 -4,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.849 107.5 54.2 -56.3 -38.0 35.8 -7.5 29.9 58 63 A R H X S+ 0 0 157 -4,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.854 108.4 50.1 -63.1 -38.3 33.5 -5.4 32.1 59 64 A E H X S+ 0 0 52 -4,-1.5 4,-1.6 -3,-0.4 -2,-0.2 0.860 104.3 58.3 -72.2 -32.8 30.6 -7.6 31.0 60 65 A H H X S+ 0 0 39 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.893 109.4 45.5 -61.0 -40.9 32.6 -10.7 31.8 61 66 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.854 108.5 52.9 -67.1 -43.8 32.9 -9.5 35.5 62 67 A E H X S+ 0 0 101 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.839 105.9 55.9 -66.5 -30.6 29.3 -8.5 35.9 63 68 A K H X S+ 0 0 93 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.870 109.4 46.3 -65.6 -44.2 28.2 -12.0 34.7 64 69 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.865 108.2 55.9 -70.1 -34.9 30.4 -13.6 37.5 65 70 A M H X S+ 0 0 57 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.905 110.2 47.4 -61.6 -39.2 28.9 -11.1 40.0 66 71 A K H X S+ 0 0 133 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.870 108.5 52.7 -67.4 -41.9 25.6 -12.4 38.9 67 72 A L H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.883 106.3 55.7 -62.1 -40.2 26.7 -16.1 39.3 68 73 A Q H X>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 4,-0.6 0.915 109.6 43.0 -60.3 -49.6 27.9 -15.4 42.8 69 74 A N H ><5S+ 0 0 89 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.895 111.3 57.5 -64.4 -40.6 24.5 -14.1 44.1 70 75 A Q H 3<5S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.778 109.4 43.0 -59.7 -37.1 22.7 -16.9 42.3 71 76 A R H 3<5S- 0 0 29 -4,-1.4 -66,-0.5 -3,-0.3 -1,-0.2 0.439 120.9-107.0 -89.4 -6.5 24.7 -19.6 44.1 72 77 A G T <<5S+ 0 0 4 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.663 74.1 133.5 86.7 21.7 24.3 -17.7 47.5 73 78 A G < - 0 0 0 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.400 53.6-114.4 -92.4 176.9 27.9 -16.5 47.8 74 79 A R - 0 0 140 -2,-0.1 2,-0.4 2,-0.0 -58,-0.1 -0.975 18.7-127.6-123.3 131.5 29.0 -13.0 48.8 75 80 A I - 0 0 56 -2,-0.4 2,-0.5 -10,-0.1 -62,-0.1 -0.627 23.9-176.6 -77.4 126.7 30.8 -10.6 46.6 76 81 A F - 0 0 66 -2,-0.4 2,-0.3 -63,-0.1 -2,-0.0 -0.999 13.7-156.2-127.3 118.1 34.0 -9.1 48.2 77 82 A L - 0 0 119 -2,-0.5 2,-0.2 -58,-0.1 -60,-0.1 -0.713 7.4-165.4-100.7 151.5 35.7 -6.5 46.0 78 83 A Q - 0 0 70 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.749 37.8 -70.1-126.7 170.3 39.3 -5.5 46.0 79 84 A D - 0 0 140 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.205 42.8-125.3 -61.2 153.6 41.2 -2.5 44.5 80 85 A I - 0 0 79 -57,-0.1 -1,-0.1 -56,-0.0 -59,-0.0 -0.937 32.0-132.3-108.1 109.3 41.7 -2.3 40.7 81 86 A Q - 0 0 127 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.248 20.1 -99.7 -65.1 144.7 45.4 -2.0 40.0 82 87 A K - 0 0 159 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.467 47.6-103.9 -49.3 133.7 47.0 0.6 37.6 83 88 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.236 33.0-117.5 -62.7 154.9 47.8 -1.1 34.3 84 89 A D S S+ 0 0 100 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.779 92.1 56.6 -70.2 -29.9 51.5 -1.7 34.2 85 90 A C + 0 0 29 1,-0.1 3,-0.1 3,-0.0 -54,-0.0 -0.781 44.4 178.4-108.1 151.7 52.2 0.5 31.2 86 91 A D S S+ 0 0 78 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.658 85.8 40.5-111.5 -38.7 51.4 4.2 30.6 87 92 A D - 0 0 65 1,-0.1 -1,-0.4 -52,-0.0 -55,-0.1 -0.900 64.0-170.5-110.8 140.3 53.1 4.2 27.1 88 93 A W - 0 0 12 -2,-0.4 2,-2.0 -3,-0.1 6,-0.2 0.197 22.8-145.2-119.5 14.9 52.5 1.2 24.9 89 94 A E - 0 0 77 4,-0.1 2,-0.3 5,-0.1 3,-0.1 -0.298 59.3 -3.7 57.0 -47.6 55.0 2.0 22.1 90 95 A S S > S- 0 0 19 -2,-2.0 4,-2.2 1,-0.1 5,-0.1 -0.975 71.8 -93.7-163.3 173.7 53.3 0.7 18.9 91 96 A G H > S+ 0 0 0 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.907 122.3 45.0 -62.0 -47.4 50.4 -1.1 17.4 92 97 A L H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 110.2 54.2 -65.4 -42.4 52.2 -4.5 17.4 93 98 A N H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 108.3 50.2 -59.8 -45.0 53.5 -4.1 20.9 94 99 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.872 111.3 47.7 -63.1 -38.3 49.9 -3.4 22.1 95 100 A M H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.850 110.5 52.9 -68.8 -36.8 48.6 -6.5 20.4 96 101 A E H X S+ 0 0 62 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.842 109.2 48.5 -68.5 -36.2 51.4 -8.5 21.8 97 102 A C H X S+ 0 0 42 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.851 110.1 52.3 -72.9 -34.5 50.6 -7.3 25.4 98 103 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.879 106.8 52.8 -70.2 -34.9 46.9 -8.1 24.8 99 104 A L H X S+ 0 0 34 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.893 110.7 47.2 -62.3 -42.2 47.7 -11.7 23.7 100 105 A H H X S+ 0 0 49 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.914 110.4 52.9 -64.8 -46.6 49.7 -12.2 26.9 101 106 A L H X S+ 0 0 21 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.928 110.8 46.3 -55.4 -50.8 46.9 -10.7 29.0 102 107 A E H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.850 108.8 53.8 -64.3 -37.2 44.3 -13.1 27.6 103 108 A K H X S+ 0 0 125 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.926 109.9 50.2 -63.9 -38.8 46.6 -16.2 27.9 104 109 A N H X S+ 0 0 112 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.835 107.8 51.4 -66.7 -36.9 46.9 -15.2 31.6 105 110 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.857 107.6 55.0 -68.3 -36.7 43.2 -14.9 32.1 106 111 A N H X S+ 0 0 29 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.814 103.5 53.0 -67.2 -33.4 42.7 -18.4 30.6 107 112 A Q H X S+ 0 0 102 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.909 108.8 50.9 -65.7 -40.8 45.1 -20.1 33.1 108 113 A S H X S+ 0 0 32 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.939 113.0 45.2 -61.2 -47.7 43.1 -18.6 35.9 109 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.852 111.1 52.8 -67.6 -38.5 39.9 -19.9 34.3 110 115 A L H X S+ 0 0 84 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.880 111.2 48.7 -65.5 -34.9 41.6 -23.3 33.7 111 116 A E H X S+ 0 0 121 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.851 109.8 49.9 -70.5 -36.9 42.6 -23.4 37.4 112 117 A L H X S+ 0 0 7 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.876 109.4 52.8 -70.2 -39.3 39.1 -22.5 38.6 113 118 A H H X S+ 0 0 39 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.907 107.6 50.3 -65.2 -38.0 37.6 -25.2 36.5 114 119 A K H X S+ 0 0 68 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.843 111.2 50.4 -68.0 -32.6 39.9 -27.8 38.0 115 120 A L H X S+ 0 0 42 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.960 107.7 51.4 -68.8 -49.8 38.9 -26.6 41.4 116 121 A A H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 3,-0.3 0.904 110.4 50.8 -53.4 -44.8 35.1 -26.9 40.6 117 122 A T H ><5S+ 0 0 69 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.923 108.8 50.8 -56.9 -48.9 35.8 -30.4 39.4 118 123 A D H 3<5S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 112.7 46.0 -60.9 -32.2 37.6 -31.3 42.7 119 124 A K T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.299 113.8-119.9 -91.4 -0.3 34.7 -29.9 44.7 120 125 A N T < 5 + 0 0 123 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.1 0.957 58.9 151.5 54.4 62.7 32.2 -31.8 42.5 121 126 A D >< + 0 0 3 -5,-2.0 4,-1.9 1,-0.1 -1,-0.2 -0.840 13.5 170.4-126.1 88.1 30.4 -28.6 41.4 122 127 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.759 76.7 59.5 -67.9 -28.9 29.0 -29.6 38.0 123 128 A H H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.944 108.8 43.8 -69.9 -41.1 26.9 -26.4 37.9 124 129 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 110.4 56.7 -67.2 -38.1 30.1 -24.3 38.2 125 130 A C H X S+ 0 0 15 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.913 109.4 43.3 -56.4 -48.9 32.0 -26.4 35.7 126 131 A D H X S+ 0 0 92 -4,-1.9 4,-3.4 1,-0.2 -1,-0.2 0.850 109.1 58.5 -67.3 -38.1 29.4 -26.0 32.8 127 132 A F H X S+ 0 0 21 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.917 112.1 40.3 -56.4 -49.1 29.1 -22.3 33.6 128 133 A I H X>S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-2.1 0.930 117.1 48.3 -63.0 -51.8 32.8 -21.7 33.0 129 134 A E H <>S+ 0 0 89 -4,-2.2 5,-0.9 -5,-0.2 -2,-0.2 0.905 117.8 42.5 -56.1 -46.4 32.9 -24.1 30.0 130 135 A T H <5S+ 0 0 79 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.799 127.0 23.8 -77.2 -35.0 29.9 -22.5 28.4 131 136 A H H <5S+ 0 0 74 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.630 132.1 22.9-109.9 -16.6 30.5 -18.7 28.9 132 137 A Y T X5S+ 0 0 2 -4,-2.6 4,-2.0 -5,-0.3 -3,-0.2 0.803 107.9 55.8-119.6 -44.5 34.3 -18.4 29.3 133 138 A L H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.887 108.7 52.0 -65.6 -36.4 35.3 -17.3 24.2 136 141 A Q H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 109.0 47.1 -67.4 -43.3 38.9 -17.3 25.5 137 142 A V H X S+ 0 0 77 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 111.6 50.7 -71.7 -29.6 40.2 -19.6 22.8 138 143 A K H X S+ 0 0 160 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.874 111.0 51.4 -73.0 -32.3 38.5 -17.7 20.0 139 144 A A H X S+ 0 0 23 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.877 110.6 46.3 -64.3 -47.8 40.1 -14.4 21.5 140 145 A I H X S+ 0 0 36 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.839 110.8 52.1 -64.7 -41.1 43.6 -15.8 21.6 141 146 A K H X S+ 0 0 128 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.932 109.8 50.7 -64.6 -45.5 43.5 -17.1 18.1 142 147 A E H X S+ 0 0 77 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.883 110.5 47.1 -59.7 -42.3 42.3 -13.7 16.8 143 148 A L H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.841 110.6 53.9 -71.8 -30.6 45.1 -11.8 18.5 144 149 A G H X S+ 0 0 23 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.951 108.1 50.1 -65.5 -47.8 47.6 -14.4 17.1 145 150 A D H X S+ 0 0 70 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.945 111.9 48.1 -52.1 -50.8 46.2 -13.7 13.6 146 151 A H H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.919 111.0 49.1 -58.9 -48.6 46.6 -10.0 14.2 147 152 A V H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.888 110.5 51.9 -60.7 -41.4 50.2 -10.2 15.5 148 153 A T H X S+ 0 0 87 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.963 111.1 46.2 -60.0 -51.6 51.2 -12.4 12.5 149 154 A N H X S+ 0 0 83 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.914 112.4 49.4 -56.3 -47.8 49.8 -10.0 10.0 150 155 A L H X>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 4,-0.7 0.913 114.1 47.3 -57.5 -46.3 51.4 -6.9 11.6 151 156 A R H ><5S+ 0 0 132 -4,-2.2 3,-1.3 -5,-0.2 -2,-0.2 0.954 111.6 47.8 -63.4 -52.0 54.8 -8.7 11.7 152 157 A K H 3<5S+ 0 0 89 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.824 107.3 57.7 -64.7 -30.0 54.7 -10.0 8.1 153 158 A M H 3<5S- 0 0 82 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.622 125.2-103.0 -70.7 -17.6 53.7 -6.4 6.9 154 159 A G T S+ 0 0 55 -2,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.778 87.8 57.9 -71.4 -33.6 54.5 3.2 9.8 160 173 A L H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.847 101.7 58.0 -65.7 -35.6 52.7 2.5 6.5 161 174 A A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.950 108.5 42.4 -63.8 -50.0 52.2 -1.0 7.7 162 175 A E H X S+ 0 0 19 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.838 113.8 53.7 -68.2 -31.8 50.3 -0.0 10.9 163 176 A Y H X S+ 0 0 121 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.923 111.6 44.1 -63.0 -50.1 48.3 2.6 9.0 164 177 A L H X S+ 0 0 60 -4,-2.7 4,-3.8 2,-0.2 5,-0.4 0.873 112.5 51.1 -65.7 -41.0 47.2 0.1 6.4 165 178 A F H X>S+ 0 0 2 -4,-1.9 5,-2.2 2,-0.2 4,-1.7 0.860 108.6 53.0 -62.3 -41.9 46.3 -2.6 9.0 166 179 A D H <5S+ 0 0 5 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.881 117.9 38.2 -63.0 -40.0 44.2 -0.0 10.9 167 180 A K H <5S+ 0 0 109 -4,-1.4 -2,-0.2 3,-0.1 -3,-0.2 0.969 126.2 30.9 -76.7 -59.8 42.4 0.7 7.7 168 181 A H H <5S+ 0 0 151 -4,-3.8 -3,-0.2 2,-0.1 -2,-0.2 0.819 131.3 24.7 -81.1 -30.4 42.0 -2.7 6.0 169 182 A T T <5 0 0 77 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.874 360.0 360.0 -98.8 -47.7 41.7 -5.1 9.0 170 183 A L < 0 0 49 -5,-2.2 -4,-0.2 0, 0.0 -3,-0.1 0.570 360.0 360.0 -83.1 360.0 40.5 -3.2 12.0