==== 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 3F33 . 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) . 9634.0 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 67.9 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 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 2 A S > 0 0 79 0, 0.0 3,-0.5 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 133.4 52.0 18.3 21.8 2 3 A Q T 3 + 0 0 196 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.728 360.0 40.0 -58.2 -25.5 51.6 19.8 18.3 3 4 A I T 3 S+ 0 0 90 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.618 84.1 119.1-101.7 -13.5 48.0 20.7 19.0 4 5 A R < + 0 0 75 -3,-0.5 2,-0.3 68,-0.2 68,-0.1 -0.327 32.8 161.9 -66.7 129.2 48.2 21.8 22.7 5 6 A Q - 0 0 160 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.941 64.2 -11.0-151.4 121.9 47.1 25.4 23.2 6 7 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.816 92.0 130.9 61.0 31.4 46.0 27.3 26.3 7 8 A Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.900 46.8-148.8-119.7 103.9 45.9 24.0 28.3 8 9 A S > - 0 0 19 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.249 21.3-124.0 -75.8 157.5 47.8 24.2 31.6 9 10 A T H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.829 112.9 58.8 -62.6 -28.6 49.5 21.3 33.3 10 11 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 108.2 43.0 -68.8 -43.6 47.3 22.0 36.4 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.924 111.6 55.1 -65.6 -45.6 44.1 21.5 34.4 12 13 A E H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.924 111.8 44.3 -52.5 -46.7 45.6 18.4 32.7 13 14 A A H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 112.3 51.0 -67.2 -40.2 46.4 16.9 36.2 14 15 A A H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.841 107.4 54.5 -66.1 -36.0 43.0 17.8 37.6 15 16 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.921 107.6 49.6 -65.2 -41.5 41.3 16.2 34.6 16 17 A N H X S+ 0 0 20 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.913 111.0 49.6 -62.9 -40.6 43.2 12.9 35.3 17 18 A R H X S+ 0 0 155 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.919 109.4 51.9 -62.7 -39.9 42.1 13.1 39.0 18 19 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.876 104.9 55.6 -66.8 -36.8 38.5 13.6 37.9 19 20 A V H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.913 107.7 50.0 -57.0 -43.4 38.6 10.6 35.6 20 21 A N H X S+ 0 0 28 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.927 109.9 50.2 -65.0 -41.8 39.7 8.5 38.6 21 22 A L H X S+ 0 0 52 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.890 111.2 48.5 -63.8 -41.5 36.8 9.9 40.7 22 23 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.902 112.8 47.1 -65.4 -41.8 34.3 9.1 38.0 23 24 A L H X S+ 0 0 42 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.898 111.4 51.7 -67.0 -38.3 35.6 5.5 37.6 24 25 A R H X S+ 0 0 77 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.903 110.3 49.8 -61.4 -42.8 35.5 5.1 41.4 25 26 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 108.7 51.4 -63.1 -41.6 31.9 6.3 41.4 26 27 A S H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.925 111.1 49.1 -60.3 -41.4 31.0 3.8 38.6 27 28 A Y H X S+ 0 0 105 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.890 109.0 52.0 -65.5 -42.2 32.6 1.0 40.7 28 29 A T H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.924 110.8 47.9 -59.0 -44.3 30.7 2.1 43.8 29 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.825 107.1 55.9 -69.1 -31.1 27.4 2.0 41.9 30 31 A L H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.927 110.6 46.1 -62.4 -44.2 28.3 -1.4 40.4 31 32 A S H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.932 112.7 49.2 -63.9 -44.8 28.6 -2.6 44.1 32 33 A L H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.938 110.9 51.7 -59.4 -46.6 25.4 -1.0 45.1 33 34 A G H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.941 111.2 44.3 -58.8 -50.7 23.5 -2.5 42.2 34 35 A F H < S+ 0 0 91 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.808 106.7 60.9 -70.1 -25.5 24.6 -6.1 42.8 35 36 A Y H >< S+ 0 0 31 -4,-1.9 3,-1.6 1,-0.2 7,-0.3 0.931 104.1 49.5 -61.5 -43.2 23.9 -5.8 46.5 36 37 A F H 3< S+ 0 0 0 -4,-1.7 7,-2.2 1,-0.3 11,-0.3 0.661 104.2 61.3 -73.8 -10.1 20.3 -5.1 45.7 37 38 A D T 3< S+ 0 0 103 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.490 77.9 117.3 -88.8 -7.2 20.3 -8.2 43.4 38 39 A R S X> S- 0 0 80 -3,-1.6 4,-2.3 -4,-0.4 3,-2.0 -0.330 75.5-124.9 -57.9 141.6 21.2 -10.5 46.5 39 40 A D T 34 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.780 112.5 52.9 -63.2 -22.4 18.4 -13.0 47.1 40 41 A D T 34 S+ 0 0 101 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.248 120.3 31.9 -94.9 11.6 18.2 -11.8 50.7 41 42 A V T <4 S+ 0 0 31 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.544 79.0 171.9-126.4 -63.0 17.8 -8.1 49.6 42 43 A A < + 0 0 65 -4,-2.3 2,-0.4 -7,-0.3 -5,-0.2 0.901 15.7 145.5 57.8 55.8 15.9 -8.6 46.3 43 44 A L >> - 0 0 17 -7,-2.2 4,-2.4 1,-0.1 3,-0.8 -0.785 21.5-178.2-121.0 88.6 14.9 -5.0 45.3 44 45 A E H 3> S+ 0 0 151 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.873 78.9 53.3 -59.2 -42.1 15.0 -5.1 41.5 45 46 A G H 3> S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.832 110.9 48.0 -62.9 -33.9 14.1 -1.5 40.9 46 47 A V H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.899 110.4 50.9 -72.9 -43.0 16.8 -0.4 43.3 47 48 A C H X S+ 0 0 12 -4,-2.4 4,-2.5 -11,-0.3 5,-0.2 0.945 112.1 48.1 -58.4 -44.0 19.4 -2.6 41.6 48 49 A H H X S+ 0 0 113 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.907 107.5 55.6 -64.2 -39.6 18.3 -1.1 38.2 49 50 A F H X S+ 0 0 27 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.936 113.8 40.0 -58.6 -48.6 18.6 2.5 39.5 50 51 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.861 111.5 54.9 -76.8 -33.0 22.2 1.9 40.6 51 52 A R H X S+ 0 0 123 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.911 107.3 52.0 -65.0 -37.7 23.3 -0.1 37.6 52 53 A E H X S+ 0 0 78 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.889 109.1 50.7 -63.3 -37.0 22.1 2.7 35.3 53 54 A L H X S+ 0 0 13 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.877 104.2 56.7 -70.1 -34.4 24.2 5.2 37.4 54 55 A A H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.936 109.0 48.0 -60.3 -42.4 27.3 3.0 37.1 55 56 A E H X S+ 0 0 74 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.927 110.2 51.1 -62.0 -46.2 26.9 3.2 33.3 56 57 A E H X S+ 0 0 60 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.876 110.8 48.4 -59.9 -40.5 26.4 7.1 33.4 57 58 A K H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.887 110.2 50.6 -72.2 -36.6 29.6 7.6 35.5 58 59 A R H X S+ 0 0 94 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.939 109.8 51.5 -63.4 -43.2 31.7 5.3 33.2 59 60 A E H X S+ 0 0 48 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 107.6 53.4 -58.2 -38.9 30.4 7.4 30.3 60 61 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.924 108.2 49.4 -62.3 -46.5 31.4 10.6 32.1 61 62 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 110.2 50.8 -59.6 -43.4 34.9 9.3 32.6 62 63 A E H X S+ 0 0 102 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.896 108.6 51.5 -63.0 -39.1 35.1 8.3 28.9 63 64 A R H X S+ 0 0 80 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.903 110.0 50.0 -62.6 -41.6 34.0 11.9 27.9 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.890 110.4 49.6 -61.9 -39.8 36.7 13.4 30.1 65 66 A L H X S+ 0 0 33 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 109.3 51.4 -69.9 -40.0 39.3 11.1 28.5 66 67 A K H X S+ 0 0 139 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.926 111.6 48.1 -59.2 -42.6 38.2 12.1 25.0 67 68 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.917 105.9 57.4 -65.4 -42.5 38.5 15.8 26.0 68 69 A Q H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.5 0.941 111.4 42.7 -52.3 -50.7 42.0 15.2 27.5 69 70 A N H ><5S+ 0 0 94 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.876 108.9 58.0 -66.6 -36.9 43.2 13.9 24.1 70 71 A Q H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 110.7 44.6 -61.2 -32.6 41.4 16.6 22.1 71 72 A R T 3<5S- 0 0 28 -4,-2.1 -66,-0.4 -3,-0.2 -1,-0.2 0.501 119.7-108.1 -89.7 -5.7 43.3 19.2 24.1 72 73 A G T < 5S+ 0 0 1 -3,-0.9 -3,-0.2 -4,-0.5 -68,-0.2 0.617 73.1 135.7 88.8 9.1 46.7 17.5 23.8 73 74 A G < - 0 0 0 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.319 54.1-116.5 -82.0 171.3 46.9 16.4 27.4 74 75 A R - 0 0 132 -2,-0.1 2,-0.1 2,-0.0 -58,-0.1 -0.958 18.8-128.3-121.1 121.1 48.0 12.9 28.4 75 76 A A - 0 0 35 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.413 26.1-175.1 -63.0 133.6 45.7 10.4 30.2 76 77 A L - 0 0 113 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.978 9.3-154.1-133.6 122.6 47.3 8.9 33.3 77 78 A F - 0 0 127 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.733 7.7-165.7 -99.2 146.5 45.5 6.2 35.2 78 79 A Q - 0 0 131 -2,-0.3 2,-0.0 -62,-0.2 -2,-0.0 -0.786 40.0 -72.5-121.0 167.4 45.8 5.3 38.9 79 80 A D - 0 0 152 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.333 48.6-128.0 -58.6 133.8 44.7 2.3 41.0 80 81 A L - 0 0 78 -57,-0.0 -1,-0.1 -2,-0.0 2,-0.1 -0.777 22.3-134.0 -90.8 112.6 40.9 2.4 41.5 81 82 A Q - 0 0 109 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.354 22.7-109.1 -68.1 142.8 40.0 2.1 45.1 82 83 A K - 0 0 149 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.280 48.2 -81.7 -65.5 156.6 37.3 -0.4 46.2 83 84 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.154 39.0-111.5 -59.6 158.3 34.0 1.0 47.3 84 85 A S S S+ 0 0 105 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.643 96.6 33.9 -69.8 -19.0 33.7 2.2 50.9 85 86 A Q - 0 0 84 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.947 53.8-157.3-135.0 155.4 31.2 -0.6 52.0 86 87 A D S S+ 0 0 131 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.666 92.3 34.8 -98.3 -28.3 30.7 -4.3 51.1 87 88 A E - 0 0 117 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.978 69.1-158.1-127.8 142.4 27.0 -4.3 52.2 88 89 A W - 0 0 4 -2,-0.3 9,-0.1 1,-0.3 2,-0.1 0.340 20.3-145.9-114.6 7.8 24.8 -1.2 51.8 89 90 A G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.389 55.9 -5.8 72.8-138.1 21.9 -1.6 54.3 90 91 A T S > S- 0 0 56 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.342 73.4-101.6 -88.2 171.8 18.5 -0.3 53.4 91 92 A T H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 126.0 54.3 -55.3 -38.9 17.3 1.6 50.3 92 93 A L H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 108.2 46.9 -62.5 -47.8 17.4 4.7 52.5 93 94 A D H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 113.7 49.8 -58.7 -44.1 21.0 4.0 53.6 94 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.913 110.1 48.4 -63.1 -44.8 22.0 3.4 50.0 95 96 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.870 110.2 52.8 -66.2 -37.2 20.3 6.6 48.7 96 97 A K H X S+ 0 0 103 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.925 110.5 47.3 -63.2 -42.3 22.0 8.7 51.4 97 98 A A H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.877 110.9 53.0 -64.1 -37.5 25.4 7.2 50.4 98 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.895 107.7 48.8 -65.7 -41.7 24.7 8.0 46.7 99 100 A I H X S+ 0 0 32 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.908 110.3 52.4 -68.4 -36.5 23.8 11.6 47.4 100 101 A V H X S+ 0 0 103 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.936 111.8 47.7 -56.4 -46.9 27.1 12.0 49.5 101 102 A L H X S+ 0 0 32 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.925 112.3 47.5 -61.8 -47.7 29.0 10.5 46.4 102 103 A E H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.890 109.0 53.7 -64.5 -39.3 27.3 12.8 43.9 103 104 A K H X S+ 0 0 132 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.881 108.5 51.1 -62.2 -35.8 27.9 15.9 46.0 104 105 A S H X S+ 0 0 63 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.887 111.3 47.0 -68.8 -37.1 31.6 15.0 46.1 105 106 A L H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 111.8 51.0 -65.5 -44.0 31.7 14.6 42.3 106 107 A N H X S+ 0 0 30 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.912 109.0 51.3 -62.0 -42.0 29.8 18.0 41.9 107 108 A Q H X S+ 0 0 99 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 108.6 51.0 -63.3 -41.1 32.4 19.7 44.2 108 109 A A H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.882 110.3 49.9 -62.3 -37.4 35.3 18.3 42.2 109 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 111.4 48.4 -65.7 -42.8 33.6 19.6 39.0 110 111 A L H X S+ 0 0 74 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.875 110.9 51.0 -64.8 -38.4 33.1 23.0 40.6 111 112 A D H X S+ 0 0 95 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.902 111.0 48.1 -64.4 -41.7 36.8 23.0 41.8 112 113 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.894 110.0 52.4 -67.0 -38.5 37.9 22.2 38.2 113 114 A H H X 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55 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.933 109.4 47.2 -59.2 -44.0 23.6 16.7 34.8 136 137 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.927 110.4 50.9 -65.3 -46.4 24.9 16.7 38.4 137 138 A V H X S+ 0 0 83 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.6 47.0 -55.4 -46.9 22.3 19.3 39.5 138 139 A K H X S+ 0 0 130 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.912 113.8 48.0 -59.6 -43.5 19.4 17.2 37.9 139 140 A L H X S+ 0 0 22 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.903 110.4 50.0 -68.0 -42.6 20.7 14.0 39.5 140 141 A I H X S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.892 110.5 50.8 -65.1 -38.7 21.1 15.4 42.9 141 142 A K H X S+ 0 0 128 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.924 110.4 50.0 -60.7 -45.2 17.5 16.9 42.8 142 143 A K H X S+ 0 0 114 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 111.8 47.4 -60.3 -45.1 16.2 13.5 41.8 143 144 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.884 111.0 51.2 -64.7 -39.1 18.1 11.7 44.6 144 145 A G H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.924 109.7 50.5 -62.6 -44.9 16.8 14.3 47.1 145 146 A D H X S+ 0 0 66 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.907 112.1 48.0 -55.8 -46.6 13.2 13.7 45.9 146 147 A H H X S+ 0 0 24 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.931 109.5 52.2 -62.4 -46.0 13.7 10.0 46.3 147 148 A L H X S+ 0 0 18 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.918 108.5 51.0 -57.0 -43.5 15.2 10.4 49.8 148 149 A T H X S+ 0 0 70 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 112.9 45.3 -61.5 -42.7 12.2 12.5 50.9 149 150 A N H X S+ 0 0 59 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.905 112.6 50.7 -68.7 -39.8 9.7 9.8 49.6 150 151 A I H X S+ 0 0 15 -4,-3.0 4,-0.6 1,-0.2 3,-0.5 0.946 111.3 48.6 -59.7 -48.4 11.7 7.0 51.2 151 152 A Q H >< S+ 0 0 89 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.887 107.6 54.4 -61.4 -38.8 11.7 8.8 54.5 152 153 A R H 3< S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.815 108.1 52.7 -63.3 -29.8 7.9 9.5 54.3 153 154 A L H 3< 0 0 63 -4,-1.3 7,-0.2 -3,-0.5 -1,-0.2 0.553 360.0 360.0 -85.7 -10.3 7.4 5.8 53.9 154 155 A V << 0 0 101 -3,-1.0 3,-0.2 -4,-0.6 4,-0.0 -0.331 360.0 360.0 -61.9 360.0 9.4 4.4 56.9 155 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 156 158 A Q > 0 0 175 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 75.5 6.1 -0.2 58.8 157 159 A A H > + 0 0 65 -3,-0.2 4,-2.2 1,-0.2 5,-0.2 0.854 360.0 51.8 -68.5 -38.8 9.6 0.0 57.3 158 160 A G H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 110.5 49.2 -62.3 -46.2 9.5 -3.2 55.2 159 161 A L H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 112.0 49.5 -56.8 -46.5 6.2 -2.3 53.6 160 162 A G H X S+ 0 0 5 -4,-2.1 4,-2.2 -7,-0.2 -1,-0.2 0.890 109.2 50.8 -64.3 -38.5 7.5 1.2 52.8 161 163 A E H X S+ 0 0 54 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.915 112.2 47.2 -65.8 -42.1 10.7 -0.2 51.2 162 164 A Y H X S+ 0 0 132 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.939 112.2 49.8 -59.9 -49.7 8.7 -2.6 49.0 163 165 A L H X S+ 0 0 60 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.873 109.1 50.9 -62.7 -41.3 6.2 0.1 47.9 164 166 A F H X>S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 5,-1.7 0.919 112.0 46.8 -60.6 -45.1 8.9 2.6 47.0 165 167 A E H <5S+ 0 0 8 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.900 118.5 42.3 -64.5 -36.9 10.7 0.0 44.8 166 168 A R H <5S+ 0 0 123 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.893 125.5 29.4 -75.5 -39.7 7.4 -1.0 43.2 167 169 A L H <5S+ 0 0 141 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.632 130.7 26.7-106.7 -17.1 5.8 2.4 42.6 168 170 A T T <5 0 0 71 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.759 360.0 360.0-107.5 -47.5 8.6 4.8 42.1 169 171 A L < 0 0 57 -5,-1.7 -123,-0.1 0, 0.0 -124,-0.1 -0.221 360.0 360.0 -88.4 360.0 11.6 2.8 40.8