==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 21-DEC-05 2FG4 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,C.LI,M.ELLENBURG,J.RUBLE,J.X.HO,D.C.CARTER . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 76.0 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.9 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 1 0 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 5 A S >> 0 0 48 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0-177.8 16.0 22.5 51.0 2 6 A S T 34 + 0 0 109 1,-0.2 72,-0.0 2,-0.2 0, 0.0 0.774 360.0 72.8 -63.3 -30.0 19.3 22.2 52.8 3 7 A Q T 34 S+ 0 0 175 1,-0.2 -1,-0.2 70,-0.0 70,-0.0 0.800 112.5 23.2 -60.5 -30.2 19.7 18.5 51.9 4 8 A I T <4 S+ 0 0 89 -3,-0.9 -1,-0.2 69,-0.1 -2,-0.2 0.573 92.6 117.8-111.2 -12.3 20.5 19.2 48.2 5 9 A R < + 0 0 72 -4,-1.1 2,-0.3 68,-0.2 68,-0.1 -0.360 33.0 162.9 -63.1 126.6 21.8 22.8 48.4 6 10 A Q - 0 0 160 66,-0.4 3,-0.1 -2,-0.2 -3,-0.0 -0.938 64.7 -12.2-151.6 122.7 25.4 23.2 47.3 7 11 A N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.815 91.0 133.2 58.1 35.3 27.3 26.3 46.2 8 12 A Y - 0 0 9 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.882 47.1-146.9-119.8 98.2 24.0 28.3 46.0 9 13 A S > - 0 0 31 -2,-0.6 4,-2.1 1,-0.1 3,-0.2 -0.242 17.5-127.7 -64.8 149.8 24.3 31.6 47.8 10 14 A T H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.755 109.7 61.3 -67.9 -23.9 21.3 33.2 49.6 11 15 A D H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 106.2 43.2 -69.2 -43.1 22.0 36.4 47.6 12 16 A V H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.928 111.7 55.3 -67.7 -44.6 21.4 34.6 44.3 13 17 A E H X S+ 0 0 30 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.924 111.5 43.8 -52.1 -49.8 18.3 32.9 45.7 14 18 A A H X S+ 0 0 59 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.890 113.9 50.4 -64.5 -40.9 16.9 36.2 46.7 15 19 A A H X S+ 0 0 29 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.857 107.6 53.6 -67.6 -35.1 17.8 37.8 43.3 16 20 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.924 107.9 50.5 -65.3 -41.4 16.2 34.9 41.5 17 21 A N H X S+ 0 0 19 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.885 110.2 50.6 -62.7 -36.2 13.0 35.5 43.4 18 22 A S H X S+ 0 0 82 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.913 109.5 50.0 -65.7 -43.6 13.2 39.1 42.4 19 23 A L H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.875 105.2 57.7 -63.6 -38.3 13.7 38.2 38.8 20 24 A V H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.925 106.4 48.8 -58.6 -43.4 10.7 35.9 38.9 21 25 A N H X S+ 0 0 40 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.866 108.7 53.8 -65.0 -35.3 8.5 38.8 40.0 22 26 A L H X S+ 0 0 33 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.893 110.3 46.3 -66.3 -39.7 9.9 41.0 37.2 23 27 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.852 109.6 53.9 -70.9 -34.5 9.0 38.3 34.6 24 28 A L H X S+ 0 0 29 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.927 111.2 47.0 -63.5 -41.9 5.5 37.9 36.1 25 29 A Q H X S+ 0 0 33 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.869 110.9 50.8 -67.7 -37.5 5.1 41.7 35.7 26 30 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.940 110.5 49.2 -65.3 -45.9 6.4 41.6 32.1 27 31 A S H X S+ 0 0 20 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.904 110.8 51.0 -57.9 -42.3 3.9 38.8 31.2 28 32 A Y H X S+ 0 0 101 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.890 108.8 51.9 -63.0 -41.1 1.1 40.8 32.8 29 33 A T H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.901 109.5 48.1 -63.4 -43.0 2.1 43.8 30.8 30 34 A Y H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.821 106.6 57.6 -68.7 -30.1 2.0 41.9 27.5 31 35 A L H X S+ 0 0 79 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.944 109.9 45.2 -62.5 -46.3 -1.4 40.5 28.4 32 36 A S H X S+ 0 0 34 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.917 113.6 48.4 -62.3 -45.8 -2.6 44.0 28.7 33 37 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.922 109.8 54.8 -61.0 -43.7 -0.9 45.1 25.4 34 38 A G H < S+ 0 0 0 -4,-3.0 4,-0.2 1,-0.2 -2,-0.2 0.923 112.6 39.1 -57.1 -49.7 -2.4 42.0 23.7 35 39 A F H >< S+ 0 0 91 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.767 106.8 65.1 -76.5 -22.1 -6.0 42.7 24.6 36 40 A Y H >< S+ 0 0 23 -4,-1.9 3,-1.6 1,-0.2 7,-0.3 0.950 103.3 47.6 -61.7 -46.9 -5.7 46.4 24.1 37 41 A F T 3< S+ 0 0 0 -4,-1.7 7,-2.3 1,-0.3 11,-0.3 0.517 103.9 62.9 -73.0 -3.5 -5.0 45.9 20.4 38 42 A D T < S+ 0 0 103 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.460 78.0 115.5 -95.6 -7.3 -8.0 43.5 20.3 39 43 A R S X> S- 0 0 92 -3,-1.6 4,-3.0 -4,-0.4 3,-1.9 -0.334 77.8-121.0 -62.9 146.6 -10.4 46.3 21.2 40 44 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.758 113.0 52.8 -62.5 -24.0 -12.9 47.2 18.5 41 45 A D T 34 S+ 0 0 117 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.240 120.5 30.8 -96.4 13.4 -11.6 50.8 18.4 42 46 A V T <4 S+ 0 0 34 -3,-1.9 -2,-0.2 -6,-0.1 -5,-0.1 0.508 79.9 173.2-126.6 -55.1 -8.0 49.7 17.8 43 47 A A < + 0 0 65 -4,-3.0 2,-0.5 -7,-0.3 -5,-0.2 0.852 16.5 144.8 44.3 62.0 -8.5 46.4 15.9 44 48 A L > - 0 0 18 -7,-2.3 4,-2.5 1,-0.2 3,-0.4 -0.797 21.2-179.0-127.0 85.6 -5.0 45.3 14.9 45 49 A E H > S+ 0 0 145 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.876 79.4 53.8 -51.7 -48.4 -5.1 41.5 15.1 46 50 A G H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 111.6 45.9 -58.8 -37.9 -1.4 41.0 14.1 47 51 A V H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.913 111.5 52.1 -71.6 -42.1 -0.3 43.4 16.8 48 52 A S H X S+ 0 0 8 -4,-2.5 4,-2.1 -11,-0.3 -2,-0.2 0.939 111.9 46.2 -58.1 -47.6 -2.6 41.7 19.4 49 53 A H H X S+ 0 0 106 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.868 107.4 58.1 -63.5 -38.9 -1.2 38.3 18.5 50 54 A F H X S+ 0 0 6 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.943 112.1 40.0 -57.2 -49.5 2.4 39.6 18.6 51 55 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -17,-0.2 0.831 111.1 56.2 -72.2 -32.7 2.0 40.7 22.2 52 56 A R H X S+ 0 0 129 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.854 106.7 52.1 -67.5 -32.3 -0.0 37.7 23.4 53 57 A E H X S+ 0 0 85 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.904 108.1 51.2 -67.7 -41.3 2.8 35.5 22.1 54 58 A L H X S+ 0 0 10 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.862 104.7 56.1 -63.6 -36.9 5.3 37.5 24.2 55 59 A A H X S+ 0 0 11 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.925 109.0 48.1 -60.1 -42.1 3.1 37.1 27.3 56 60 A E H X S+ 0 0 98 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.890 109.1 53.5 -64.2 -40.8 3.4 33.4 26.7 57 61 A E H X S+ 0 0 65 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.898 108.6 48.2 -61.7 -43.3 7.2 33.7 26.3 58 62 A K H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.831 106.9 57.5 -68.0 -31.1 7.6 35.5 29.6 59 63 A R H X S+ 0 0 81 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.937 105.7 49.0 -63.8 -46.2 5.5 32.9 31.3 60 64 A E H X S+ 0 0 63 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.876 108.3 58.9 -59.9 -35.9 7.9 30.2 30.2 61 65 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.973 109.0 38.8 -58.6 -58.1 10.6 32.4 31.5 62 66 A Y H X S+ 0 0 43 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.844 113.9 56.0 -66.4 -28.7 9.4 32.6 35.1 63 67 A E H X S+ 0 0 99 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.896 108.0 48.7 -67.2 -37.4 8.4 28.9 35.1 64 68 A R H X S+ 0 0 68 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.890 112.1 49.0 -67.8 -38.5 11.9 28.0 34.0 65 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.916 110.3 50.5 -66.8 -42.5 13.3 30.2 36.8 66 70 A L H X S+ 0 0 37 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.885 110.7 50.1 -62.1 -39.2 11.0 28.7 39.4 67 71 A K H X S+ 0 0 135 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.919 110.7 48.6 -64.9 -45.4 12.1 25.2 38.3 68 72 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.911 106.1 57.8 -61.8 -43.2 15.7 26.1 38.6 69 73 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.921 110.4 43.8 -53.1 -47.3 15.1 27.6 42.1 70 74 A N H <5S+ 0 0 107 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.858 109.7 56.3 -68.0 -36.2 13.8 24.2 43.2 71 75 A Q H <5S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.7 45.3 -66.0 -31.5 16.6 22.3 41.5 72 76 A R H <5S- 0 0 27 -4,-2.1 -66,-0.4 -3,-0.1 -1,-0.2 0.563 119.7-108.2 -87.6 -9.5 19.2 24.3 43.4 73 77 A G T <5S+ 0 0 3 -4,-0.6 -3,-0.2 -3,-0.5 -68,-0.2 0.581 72.7 138.9 94.0 10.0 17.4 23.9 46.7 74 78 A G < - 0 0 2 -5,-2.5 2,-0.5 -6,-0.3 -1,-0.2 -0.305 51.1-121.4 -80.5 170.5 16.3 27.5 47.0 75 79 A R - 0 0 154 -2,-0.1 2,-0.2 2,-0.0 -58,-0.1 -0.969 17.8-132.0-120.2 123.6 12.8 28.5 48.1 76 80 A A - 0 0 33 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.506 21.0-169.2 -72.2 134.6 10.5 30.6 45.9 77 81 A L - 0 0 114 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.997 9.5-149.3-126.8 125.7 8.9 33.6 47.6 78 82 A F - 0 0 131 -2,-0.4 2,-0.3 -58,-0.0 -60,-0.1 -0.739 12.7-173.5-101.0 145.5 6.0 35.4 45.8 79 83 A Q - 0 0 135 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.798 41.2 -71.2-126.0 168.5 5.1 39.1 46.0 80 84 A D - 0 0 133 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.223 46.4-127.1 -57.0 149.8 2.3 41.2 44.7 81 85 A I - 0 0 75 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.916 22.6-132.8-105.6 113.9 2.4 41.7 40.9 82 86 A K - 0 0 144 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.364 25.6-109.0 -64.9 141.9 2.1 45.4 40.1 83 87 A K - 0 0 148 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.245 48.1 -77.0 -68.2 158.5 -0.3 46.3 37.4 84 88 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.172 40.5-117.5 -55.1 151.8 0.9 47.4 33.9 85 89 A A S S+ 0 0 89 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.735 95.1 41.7 -64.5 -25.6 2.2 51.0 33.7 86 90 A E - 0 0 107 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.909 54.7-160.9-126.3 153.4 -0.5 52.1 31.2 87 91 A D S S+ 0 0 117 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.752 93.0 28.3 -95.3 -35.4 -4.2 51.4 30.8 88 92 A E - 0 0 123 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.978 68.5-157.8-126.9 140.4 -4.1 52.4 27.1 89 93 A W - 0 0 20 -2,-0.4 9,-0.1 1,-0.3 2,-0.1 0.241 23.9-139.4-107.4 15.0 -1.1 52.0 24.9 90 94 A G - 0 0 34 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 -0.408 55.5 -18.5 69.7-137.6 -1.6 54.5 22.0 91 95 A K S > S- 0 0 135 -2,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.504 75.9 -88.4-102.9 173.6 -0.6 53.3 18.6 92 96 A T H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 125.8 49.9 -49.1 -48.1 1.7 50.5 17.3 93 97 A P H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.932 111.8 49.6 -59.3 -42.9 4.9 52.6 17.4 94 98 A D H > S+ 0 0 82 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 113.1 45.9 -59.0 -47.1 4.1 53.7 21.0 95 99 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.872 110.9 52.3 -65.7 -38.7 3.4 50.2 22.1 96 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.861 108.5 51.4 -66.9 -35.4 6.5 48.8 20.4 97 101 A K H X S+ 0 0 133 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.911 110.4 48.5 -67.3 -41.8 8.7 51.5 22.2 98 102 A A H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.903 111.7 49.8 -63.4 -41.8 7.2 50.5 25.5 99 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.895 110.2 51.1 -63.1 -41.3 7.9 46.8 24.8 100 104 A M H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 109.8 49.1 -60.9 -48.2 11.5 47.7 23.8 101 105 A A H X S+ 0 0 61 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.893 111.4 50.9 -59.8 -40.5 12.0 49.6 27.1 102 106 A L H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 109.1 49.3 -63.8 -47.9 10.6 46.7 29.0 103 107 A E H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.880 108.6 53.2 -61.8 -37.7 12.8 44.1 27.3 104 108 A K H X S+ 0 0 125 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.880 108.5 50.8 -64.7 -35.7 15.9 46.3 28.0 105 109 A K H X S+ 0 0 126 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.914 112.6 46.1 -65.8 -43.3 15.0 46.4 31.7 106 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 112.1 50.9 -64.5 -45.5 14.6 42.6 31.8 107 111 A N H X S+ 0 0 32 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.912 109.3 50.6 -60.1 -41.9 17.9 42.2 29.9 108 112 A Q H X S+ 0 0 100 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.902 109.1 51.8 -63.5 -39.4 19.7 44.5 32.4 109 113 A A H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.876 109.9 49.2 -64.1 -38.2 18.2 42.4 35.3 110 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.911 111.7 48.9 -66.9 -42.0 19.5 39.2 33.6 111 115 A L H X S+ 0 0 75 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 111.0 49.9 -64.0 -41.5 23.0 40.8 33.2 112 116 A D H X S+ 0 0 91 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.886 110.2 50.4 -64.2 -39.8 23.0 42.0 36.8 113 117 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 110.1 50.5 -65.1 -41.7 22.0 38.5 38.0 114 118 A H H X S+ 0 0 39 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.905 109.4 50.1 -62.8 -41.1 24.9 37.0 35.9 115 119 A A H X S+ 0 0 59 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.923 111.4 49.6 -63.2 -41.6 27.4 39.4 37.4 116 120 A L H X S+ 0 0 43 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.882 110.3 50.4 -63.5 -39.1 26.1 38.5 40.9 117 121 A G H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.854 110.3 49.7 -68.0 -34.8 26.5 34.8 40.0 118 122 A S H ><5S+ 0 0 61 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.913 107.4 54.1 -69.2 -42.2 30.0 35.4 38.8 119 123 A A H 3<5S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 113.7 42.3 -62.8 -27.2 30.9 37.2 42.0 120 124 A R T 3<5S- 0 0 98 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.256 113.5-122.0-101.7 10.9 29.7 34.2 44.0 121 125 A T T < 5 + 0 0 101 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.950 54.5 156.3 44.9 66.6 31.4 31.8 41.6 122 126 A D >< + 0 0 4 -5,-2.3 4,-1.8 1,-0.1 3,-0.4 -0.788 14.9 176.5-120.3 83.2 28.3 29.9 40.6 123 127 A P H > S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.782 76.7 58.7 -59.9 -29.6 29.0 28.4 37.2 124 128 A H H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.918 106.7 46.8 -67.7 -41.6 25.7 26.5 37.0 125 129 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.911 112.4 51.4 -64.7 -42.7 23.7 29.7 37.3 126 130 A C H X S+ 0 0 26 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.953 111.6 45.6 -57.6 -53.2 25.9 31.4 34.7 127 131 A D H X S+ 0 0 90 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.898 111.5 54.0 -57.8 -43.5 25.4 28.6 32.2 128 132 A F H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.911 110.9 44.4 -58.4 -46.5 21.7 28.5 32.9 129 133 A L H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-1.8 0.893 115.9 47.1 -67.1 -41.3 21.3 32.2 32.2 130 134 A E H <>S+ 0 0 90 -4,-2.4 5,-0.8 -5,-0.2 -2,-0.2 0.895 116.0 43.7 -68.7 -40.6 23.4 32.1 29.0 131 135 A T H <5S+ 0 0 84 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.893 128.3 23.1 -73.3 -42.6 21.8 29.0 27.6 132 136 A H H <5S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.549 132.7 18.6-105.4 -8.5 18.1 29.9 28.3 133 137 A F T X5S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.3 -3,-0.2 0.742 104.2 61.1-128.7 -51.0 17.9 33.7 28.6 134 138 A L H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 108.1 45.4 -60.2 -44.6 16.7 35.0 23.6 137 141 A E H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.917 110.4 53.7 -66.0 -44.2 16.7 38.6 24.8 138 142 A V H X S+ 0 0 82 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.932 111.8 44.4 -56.9 -47.9 19.3 39.7 22.2 139 143 A K H X S+ 0 0 137 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.889 114.3 49.7 -66.0 -38.5 17.3 38.3 19.3 140 144 A L H X S+ 0 0 27 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.933 111.2 47.9 -66.0 -46.1 14.0 39.7 20.6 141 145 A I H X S+ 0 0 31 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.885 110.7 52.7 -62.5 -37.2 15.4 43.2 21.1 142 146 A K H X S+ 0 0 125 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.929 109.3 49.7 -63.2 -43.9 16.9 43.0 17.6 143 147 A K H X S+ 0 0 88 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.7 48.3 -62.1 -42.6 13.5 42.1 16.2 144 148 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.875 109.5 54.2 -66.7 -34.8 11.8 45.0 18.0 145 149 A G H X S+ 0 0 21 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.948 108.2 49.2 -62.0 -47.6 14.5 47.3 16.7 146 150 A D H X S+ 0 0 68 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.910 110.6 50.6 -56.7 -45.5 13.8 46.1 13.2 147 151 A H H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.917 108.8 51.0 -61.1 -44.2 10.0 46.7 13.7 148 152 A L H X S+ 0 0 36 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.901 108.6 51.4 -60.9 -41.8 10.6 50.2 15.0 149 153 A T H X S+ 0 0 80 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.910 112.6 46.2 -62.8 -40.9 12.7 51.2 12.0 150 154 A N H X S+ 0 0 60 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.895 111.6 50.9 -69.8 -38.0 10.0 49.9 9.6 151 155 A L H >< S+ 0 0 10 -4,-2.7 3,-0.6 2,-0.2 -2,-0.2 0.926 110.9 48.9 -64.3 -42.2 7.3 51.7 11.5 152 156 A H H >< S+ 0 0 161 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.891 106.9 55.7 -62.7 -38.7 9.3 54.9 11.4 153 157 A R H 3< S+ 0 0 165 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.768 109.7 48.4 -63.7 -24.2 9.8 54.4 7.7 154 158 A L T << S+ 0 0 57 -4,-1.0 8,-0.3 -3,-0.6 -1,-0.3 0.258 94.3 105.5 -99.6 9.9 6.0 54.2 7.5 155 159 A G < + 0 0 39 -3,-1.7 3,-0.3 7,-0.1 -3,-0.1 0.006 39.7 76.7 -78.8-170.6 5.4 57.3 9.5 156 160 A G S > S- 0 0 52 1,-0.2 3,-1.1 2,-0.0 4,-0.1 -0.681 101.1 -28.3 107.9-163.1 4.3 60.8 8.3 157 161 A P T 3 S+ 0 0 140 0, 0.0 3,-0.4 0, 0.0 2,-0.2 0.850 138.5 49.0 -59.9 -37.3 0.8 62.2 7.2 158 162 A E T 3> S+ 0 0 133 -3,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.240 71.5 130.5 -98.0 44.6 -0.3 58.7 6.0 159 163 A A H <> + 0 0 43 -3,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.827 67.2 59.5 -65.8 -33.5 0.7 57.0 9.2 160 164 A G H > S+ 0 0 53 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.925 106.3 46.8 -61.4 -44.5 -2.7 55.3 9.6 161 165 A L H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 112.6 51.3 -63.1 -41.6 -2.2 53.6 6.2 162 166 A G H X S+ 0 0 4 -4,-1.8 4,-2.4 -8,-0.3 -2,-0.2 0.912 107.0 51.6 -63.3 -43.9 1.3 52.6 7.3 163 167 A E H X S+ 0 0 33 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.886 110.8 49.7 -61.4 -38.2 0.2 51.1 10.5 164 168 A Y H X S+ 0 0 131 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.941 111.3 47.7 -65.6 -47.5 -2.4 49.0 8.7 165 169 A L H X S+ 0 0 68 -4,-2.3 4,-3.4 1,-0.2 5,-0.4 0.867 109.6 53.2 -61.8 -39.6 0.2 47.8 6.1 166 170 A F H X>S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-1.7 0.921 110.6 46.7 -63.1 -44.6 2.7 46.8 8.8 167 171 A E H <5S+ 0 0 8 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.897 119.0 41.8 -64.6 -39.5 0.1 44.8 10.6 168 172 A R H <5S+ 0 0 125 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.894 126.4 28.6 -74.8 -43.1 -1.0 43.1 7.4 169 173 A L H <5S+ 0 0 142 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.658 130.6 27.4 -98.2 -18.8 2.4 42.5 5.8 170 174 A T T <5 0 0 71 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.806 360.0 360.0-108.0 -49.7 4.9 42.1 8.6 171 175 A L < 0 0 59 -5,-1.7 -3,-0.2 0, 0.0 -4,-0.2 0.862 360.0 360.0 -78.6 360.0 3.0 40.8 11.6