==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-MAY-06 2IU2 . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TOUSSAINT,R.R.CRICHTON,J.P.DECLERCQ . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 77.9 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 66.9 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 5 A T 0 0 167 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 128.6 23.7 -19.2 54.5 2 6 A S > - 0 0 24 71,-0.5 3,-0.9 1,-0.1 72,-0.0 -0.330 360.0-126.9 -56.4 139.8 21.6 -18.0 51.6 3 7 A Q T 3 S+ 0 0 198 1,-0.2 -1,-0.1 -2,-0.0 70,-0.0 0.655 111.0 47.2 -59.8 -21.6 18.2 -19.7 51.2 4 8 A V T 3 S+ 0 0 79 69,-0.0 -1,-0.2 2,-0.0 69,-0.1 0.604 82.4 118.7 -92.9 -18.4 19.1 -20.4 47.5 5 9 A R < + 0 0 64 -3,-0.9 2,-0.3 68,-0.2 68,-0.2 -0.285 32.5 158.1 -60.5 130.0 22.6 -21.7 48.1 6 10 A Q - 0 0 159 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.912 65.0 -12.5-156.4 124.0 23.0 -25.3 46.9 7 11 A N S S+ 0 0 95 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.796 90.5 136.9 60.0 30.4 26.2 -27.3 46.0 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 117,-0.0 2,-0.1 -0.885 45.1-146.1-115.4 103.8 28.1 -24.1 45.9 9 13 A H > - 0 0 71 -2,-0.7 4,-2.1 1,-0.1 3,-0.5 -0.399 17.7-124.7 -73.6 146.9 31.5 -24.4 47.5 10 14 A Q H > S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 113.4 54.2 -48.4 -41.9 33.2 -21.6 49.5 11 15 A D H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 107.2 50.2 -66.3 -38.2 36.3 -21.9 47.2 12 16 A S H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.929 109.2 51.7 -64.0 -46.0 34.1 -21.5 44.1 13 17 A E H X S+ 0 0 27 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.919 112.7 45.7 -55.1 -50.1 32.5 -18.4 45.6 14 18 A A H X S+ 0 0 41 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 111.1 51.6 -60.2 -44.2 36.0 -16.9 46.2 15 19 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.875 107.2 54.2 -64.3 -38.0 37.3 -17.9 42.8 16 20 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.923 107.4 51.0 -61.1 -43.3 34.2 -16.1 41.2 17 21 A N H X S+ 0 0 23 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.889 110.7 48.4 -60.9 -41.6 35.1 -12.9 43.1 18 22 A R H X S+ 0 0 161 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.908 110.7 50.5 -65.5 -38.6 38.7 -13.1 41.9 19 23 A Q H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.855 106.1 56.2 -68.2 -35.2 37.5 -13.6 38.3 20 24 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.958 109.6 46.5 -58.1 -47.1 35.2 -10.6 38.6 21 25 A N H X S+ 0 0 40 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.905 112.1 49.7 -62.2 -41.8 38.2 -8.5 39.5 22 26 A L H X S+ 0 0 40 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.885 109.8 50.4 -66.7 -38.2 40.3 -9.9 36.7 23 27 A D H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.902 112.1 48.3 -66.3 -38.4 37.6 -9.2 34.1 24 28 A L H X S+ 0 0 29 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.902 111.1 50.3 -67.7 -40.8 37.3 -5.7 35.4 25 29 A Y H X S+ 0 0 43 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.947 109.7 50.3 -57.7 -50.9 41.1 -5.3 35.2 26 30 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.925 108.3 53.5 -55.7 -43.6 41.0 -6.6 31.6 27 31 A S H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 110.2 48.8 -51.5 -44.7 38.2 -4.0 30.9 28 32 A Y H X S+ 0 0 103 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 107.9 52.1 -67.9 -43.3 40.6 -1.3 32.3 29 33 A V H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.948 112.1 46.5 -57.7 -47.4 43.6 -2.4 30.2 30 34 A Y H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.848 109.2 54.8 -67.1 -34.0 41.5 -2.2 27.0 31 35 A L H X S+ 0 0 63 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.929 110.4 46.2 -61.3 -44.1 40.1 1.2 28.0 32 36 A S H X S+ 0 0 33 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.910 113.2 49.3 -63.8 -47.0 43.7 2.5 28.4 33 37 A M H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.923 107.5 56.1 -57.9 -45.4 44.8 0.9 25.1 34 38 A S H >X S+ 0 0 4 -4,-2.6 4,-0.6 1,-0.2 3,-0.6 0.948 109.6 42.7 -52.9 -55.6 41.7 2.4 23.3 35 39 A Y H 3< S+ 0 0 128 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.722 103.6 66.6 -73.8 -17.8 42.5 6.0 24.2 36 40 A Y H >< S+ 0 0 21 -4,-1.5 3,-1.6 1,-0.2 7,-0.3 0.943 103.0 47.4 -58.4 -45.3 46.2 5.6 23.5 37 41 A F H << S+ 0 0 0 -4,-1.6 7,-1.8 -3,-0.6 11,-0.2 0.656 104.0 62.9 -73.4 -13.9 45.2 5.1 19.8 38 42 A D T 3< S+ 0 0 102 -4,-0.6 -1,-0.3 5,-0.2 -2,-0.2 0.482 78.2 112.9 -80.8 -9.9 43.0 8.2 20.2 39 43 A R S X> S- 0 0 97 -3,-1.6 4,-2.3 -4,-0.3 3,-1.7 -0.384 77.4-124.1 -64.2 147.4 46.1 10.4 20.9 40 44 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.675 112.3 53.5 -65.8 -20.4 46.9 13.0 18.1 41 45 A D T 34 S+ 0 0 96 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.197 120.0 31.5-100.2 13.8 50.4 11.5 17.8 42 46 A V T <4 S+ 0 0 33 -3,-1.7 -2,-0.2 -5,-0.1 -5,-0.1 0.551 78.7 173.4-125.8 -64.2 49.1 7.9 17.3 43 47 A A < + 0 0 64 -4,-2.3 2,-0.5 -7,-0.3 -5,-0.2 0.836 18.2 144.2 61.2 47.3 45.8 8.6 15.5 44 48 A L > - 0 0 17 -7,-1.8 4,-2.2 -5,-0.1 3,-0.2 -0.831 24.3-176.4-111.7 90.6 44.6 5.1 14.6 45 49 A K H > S+ 0 0 156 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.740 78.7 48.3 -62.8 -34.6 40.8 5.4 15.1 46 50 A N H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.831 108.4 52.8 -82.8 -31.2 39.9 1.8 14.4 47 51 A F H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 111.6 49.8 -57.4 -45.6 42.5 0.4 16.7 48 52 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 -11,-0.2 -2,-0.2 0.926 112.8 45.3 -56.9 -45.8 40.9 2.8 19.3 49 53 A K H X S+ 0 0 145 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.918 110.6 54.8 -67.3 -41.4 37.4 1.5 18.4 50 54 A Y H X S+ 0 0 29 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.947 111.8 42.0 -56.8 -51.9 38.6 -2.2 18.5 51 55 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.882 110.4 56.3 -69.4 -33.5 40.0 -1.9 22.0 52 56 A L H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.915 106.3 52.5 -63.3 -37.1 37.0 0.1 23.3 53 57 A H H X S+ 0 0 110 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.6 48.0 -61.0 -45.7 34.8 -2.8 22.1 54 58 A Q H X S+ 0 0 27 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.895 108.9 55.5 -62.0 -41.3 37.0 -5.3 24.1 55 59 A S H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.922 109.6 45.0 -54.1 -52.4 36.8 -3.1 27.2 56 60 A H H X S+ 0 0 110 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.883 111.1 53.7 -63.3 -38.8 33.0 -3.0 27.2 57 61 A E H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.902 108.1 49.4 -61.0 -43.7 32.9 -6.8 26.6 58 62 A E H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.904 109.5 52.3 -64.7 -39.5 35.1 -7.5 29.6 59 63 A R H X S+ 0 0 131 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.929 108.8 50.5 -59.1 -46.2 32.9 -5.2 31.7 60 64 A E H X S+ 0 0 93 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 107.6 54.6 -61.2 -38.2 29.9 -7.2 30.6 61 65 A H H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.914 108.5 48.0 -58.3 -45.1 31.7 -10.5 31.5 62 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.913 110.4 51.4 -63.0 -42.7 32.3 -9.2 35.0 63 67 A E H X S+ 0 0 65 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.894 108.7 51.5 -62.7 -38.7 28.6 -8.1 35.3 64 68 A K H X S+ 0 0 78 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.883 110.1 48.8 -69.3 -37.3 27.5 -11.6 34.2 65 69 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.851 108.3 54.2 -68.5 -34.2 29.8 -13.2 36.9 66 70 A M H X S+ 0 0 52 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 109.5 48.1 -64.7 -41.7 28.3 -10.8 39.5 67 71 A K H X S+ 0 0 129 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.937 110.8 51.1 -60.4 -44.8 24.9 -12.0 38.5 68 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 6,-0.3 0.914 105.7 55.6 -55.8 -47.2 26.1 -15.7 38.7 69 73 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.5 0.952 113.0 41.6 -55.6 -50.5 27.4 -15.1 42.2 70 74 A N H ><5S+ 0 0 87 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.878 109.3 58.9 -63.9 -38.6 24.0 -13.8 43.3 71 75 A Q H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 110.5 42.8 -55.2 -39.3 22.2 -16.6 41.4 72 76 A R H 3<5S- 0 0 25 -4,-2.3 -66,-0.5 -3,-0.3 -1,-0.2 0.495 119.4-107.2 -89.9 -1.8 24.1 -19.2 43.5 73 77 A G T <<5S+ 0 0 3 -3,-0.9 -71,-0.5 -4,-0.5 -3,-0.2 0.611 74.0 137.3 83.7 12.2 23.7 -17.5 46.8 74 78 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.2 -0.292 53.3-118.1 -77.1 172.3 27.4 -16.3 47.0 75 79 A R - 0 0 123 -3,-0.1 2,-0.3 -2,-0.1 -58,-0.1 -0.969 19.8-127.5-122.3 126.7 28.3 -12.8 48.2 76 80 A I - 0 0 44 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.573 23.8-175.8 -70.9 127.8 30.1 -10.4 45.9 77 81 A F - 0 0 138 -2,-0.3 2,-0.3 -63,-0.1 -2,-0.0 -0.984 12.8-154.3-125.7 119.2 33.3 -8.8 47.4 78 82 A L - 0 0 103 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.628 7.8-164.1 -91.7 146.3 34.8 -6.2 45.2 79 83 A Q - 0 0 133 -2,-0.3 -2,-0.0 -62,-0.2 -1,-0.0 -0.812 37.8 -73.4-121.5 167.1 38.5 -5.3 45.2 80 84 A D - 0 0 126 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.236 43.7-126.8 -53.5 145.7 40.5 -2.3 43.8 81 85 A I - 0 0 77 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.1 -0.905 29.6-133.1 -96.8 109.6 40.9 -2.4 40.0 82 86 A Q - 0 0 116 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.287 18.8-109.5 -62.7 140.2 44.6 -2.0 39.4 83 87 A K - 0 0 134 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.389 46.9 -94.0 -63.5 149.5 45.9 0.5 36.8 84 88 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.184 32.5-110.1 -60.3 164.0 47.3 -1.3 33.7 85 89 A D S S+ 0 0 142 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.750 98.6 44.1 -68.5 -26.0 51.1 -1.9 33.5 86 90 A C - 0 0 46 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.897 46.6-173.5-122.0 149.3 51.6 0.7 30.7 87 91 A D S S+ 0 0 132 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.626 90.3 48.0-100.1 -30.1 50.4 4.3 30.1 88 92 A D - 0 0 84 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.955 66.9-166.8-116.1 120.8 52.0 4.2 26.6 89 93 A W - 0 0 10 -2,-0.5 2,-1.8 -57,-0.1 9,-0.1 0.395 24.0-143.0 -96.0 4.3 51.3 1.2 24.4 90 94 A E - 0 0 138 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.317 60.6 -12.1 80.6 -56.5 54.0 1.9 21.7 91 95 A S S > S- 0 0 12 -2,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.968 71.9 -93.6-168.0 164.2 52.4 0.7 18.5 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.908 124.3 50.1 -54.7 -46.2 49.3 -1.2 17.1 93 97 A L H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 109.8 49.2 -60.6 -50.6 51.4 -4.4 17.0 94 98 A N H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 111.3 49.6 -60.2 -42.0 52.7 -4.0 20.5 95 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.920 110.8 49.8 -61.2 -44.2 49.1 -3.4 21.8 96 100 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 111.5 49.4 -61.5 -40.8 47.8 -6.5 19.9 97 101 A E H X S+ 0 0 61 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.922 112.2 47.7 -62.0 -44.4 50.7 -8.5 21.5 98 102 A C H X S+ 0 0 36 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.903 111.3 50.9 -61.7 -43.3 49.8 -7.2 24.9 99 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.884 109.4 51.1 -57.5 -44.5 46.1 -8.0 24.3 100 104 A L H X S+ 0 0 43 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.944 111.4 46.8 -58.7 -50.0 47.0 -11.5 23.3 101 105 A H H X S+ 0 0 124 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 113.7 49.3 -59.6 -45.7 49.1 -12.1 26.4 102 106 A L H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.935 109.5 50.6 -57.4 -50.3 46.3 -10.6 28.6 103 107 A D H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.870 109.3 51.0 -61.6 -36.9 43.6 -12.8 27.0 104 108 A K H X S+ 0 0 124 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.877 109.9 51.1 -68.7 -33.7 45.7 -16.0 27.6 105 109 A N H X S+ 0 0 79 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.923 111.8 45.7 -63.7 -45.2 46.1 -14.9 31.2 106 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.888 112.2 52.9 -62.4 -39.6 42.3 -14.5 31.6 107 111 A N H X S+ 0 0 28 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.908 106.4 51.9 -62.1 -45.1 41.9 -17.8 29.8 108 112 A Q H X S+ 0 0 100 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 110.2 49.5 -59.0 -44.2 44.3 -19.5 32.3 109 113 A S H X S+ 0 0 31 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.940 111.0 49.1 -58.7 -48.7 42.2 -18.1 35.1 110 114 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.898 110.9 50.0 -57.6 -39.9 39.0 -19.4 33.5 111 115 A L H X S+ 0 0 78 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.891 110.7 49.4 -68.1 -39.4 40.5 -22.8 33.0 112 116 A E H X S+ 0 0 119 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.866 110.6 51.2 -64.9 -35.2 41.6 -22.9 36.7 113 117 A L H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.926 109.8 49.3 -68.5 -40.8 38.1 -21.9 37.7 114 118 A H H X S+ 0 0 35 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.905 110.0 51.3 -65.0 -39.9 36.6 -24.7 35.6 115 119 A K H X S+ 0 0 130 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.928 109.6 50.1 -61.7 -45.2 39.1 -27.2 37.2 116 120 A L H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 110.2 50.0 -57.0 -48.2 38.0 -26.0 40.6 117 121 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 -2,-0.2 0.897 111.8 48.4 -58.9 -43.2 34.3 -26.4 39.6 118 122 A T H ><5S+ 0 0 68 -4,-2.5 3,-1.6 3,-0.2 -1,-0.2 0.926 110.9 50.7 -58.4 -47.2 35.1 -29.9 38.4 119 123 A D H 3<5S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.811 113.3 45.9 -64.3 -32.3 37.0 -30.8 41.6 120 124 A K T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.303 112.4-120.4 -92.8 9.9 34.0 -29.5 43.7 121 125 A N T < 5 + 0 0 126 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 0.925 59.9 150.3 51.1 52.2 31.5 -31.4 41.5 122 126 A D >< + 0 0 2 -5,-2.6 4,-2.2 1,-0.2 -1,-0.2 -0.831 15.6 171.6-115.2 82.7 29.6 -28.3 40.5 123 127 A P H > S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 77.0 59.2 -68.0 -29.2 28.2 -29.1 37.1 124 128 A H H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.958 109.8 43.0 -61.7 -45.9 26.2 -25.9 37.0 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.893 112.4 53.2 -66.9 -39.1 29.4 -23.8 37.4 126 130 A C H X S+ 0 0 14 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.932 111.8 46.1 -57.5 -46.6 31.3 -26.0 34.9 127 131 A D H X S+ 0 0 87 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.871 109.8 54.4 -62.7 -42.5 28.5 -25.4 32.3 128 132 A F H X S+ 0 0 9 -4,-2.4 4,-2.5 -5,-0.2 5,-0.4 0.947 112.9 42.1 -59.7 -48.8 28.4 -21.6 33.1 129 133 A I H X>S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 5,-1.9 0.928 116.6 47.4 -63.7 -44.9 32.1 -21.3 32.4 130 134 A E H <>S+ 0 0 92 -4,-2.4 5,-0.9 -5,-0.2 -2,-0.2 0.921 118.4 40.9 -64.2 -44.9 32.1 -23.5 29.3 131 135 A T H <5S+ 0 0 90 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 125.2 29.9 -74.5 -47.1 29.0 -21.8 27.8 132 136 A H H <5S+ 0 0 71 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.781 133.2 13.0 -85.9 -25.2 29.7 -18.1 28.5 133 137 A Y T X5S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.4 -3,-0.2 0.813 103.5 66.9-126.6 -44.3 33.4 -17.9 28.5 134 138 A L H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 110.6 48.3 -57.0 -42.2 34.6 -16.7 23.5 137 141 A Q H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.921 110.0 50.2 -66.2 -45.2 38.1 -16.7 24.9 138 142 A V H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 112.2 48.9 -58.3 -42.3 39.5 -19.2 22.4 139 143 A K H X S+ 0 0 102 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 110.9 49.1 -66.7 -41.7 37.9 -17.0 19.6 140 144 A A H X S+ 0 0 23 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.913 111.7 49.1 -62.2 -44.2 39.4 -13.8 21.0 141 145 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.925 111.8 48.9 -63.8 -41.6 42.9 -15.4 21.3 142 146 A K H X S+ 0 0 127 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.934 112.1 49.3 -63.4 -47.6 42.7 -16.7 17.7 143 147 A E H X S+ 0 0 81 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 111.9 47.4 -57.3 -49.0 41.6 -13.3 16.4 144 148 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.897 111.8 51.2 -61.0 -41.3 44.4 -11.5 18.2 145 149 A G H X S+ 0 0 20 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.930 109.7 50.1 -58.7 -46.2 46.9 -14.0 16.9 146 150 A D H X S+ 0 0 67 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.927 111.9 47.8 -55.3 -48.0 45.6 -13.5 13.4 147 151 A H H X S+ 0 0 19 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.904 110.9 50.3 -62.9 -44.1 46.0 -9.7 13.8 148 152 A V H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.953 111.1 50.2 -59.5 -48.1 49.5 -10.0 15.2 149 153 A T H X S+ 0 0 68 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.926 112.0 46.1 -57.2 -50.6 50.5 -12.2 12.3 150 154 A N H X S+ 0 0 79 -4,-2.5 4,-2.2 2,-0.2 6,-0.2 0.942 113.0 49.7 -60.9 -45.0 49.1 -9.8 9.7 151 155 A L H X>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 4,-0.7 0.936 113.2 46.5 -59.3 -46.1 50.8 -6.8 11.3 152 156 A R H ><5S+ 0 0 142 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.946 113.2 48.7 -59.8 -47.7 54.1 -8.5 11.5 153 157 A K H 3<5S+ 0 0 176 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.0 54.9 -62.7 -34.0 53.9 -9.7 7.8 154 158 A M H 3<5S- 0 0 78 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.621 126.7 -98.9 -73.8 -14.2 53.0 -6.2 6.7 155 159 A G T S+ 0 0 54 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.790 88.7 61.6 -66.9 -31.5 53.6 3.2 10.0 161 165 A L H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.918 101.0 51.8 -52.8 -50.7 52.1 2.5 6.5 162 166 A A H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.950 112.0 44.4 -52.2 -54.0 51.5 -1.1 7.6 163 167 A E H X S+ 0 0 15 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.894 113.9 51.3 -63.7 -38.0 49.6 -0.1 10.8 164 168 A Y H X S+ 0 0 125 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.948 113.3 44.0 -58.3 -51.3 47.7 2.6 8.9 165 169 A L H X S+ 0 0 66 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.868 113.1 51.3 -67.5 -36.0 46.5 0.1 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 5,-2.0 0.928 107.0 53.8 -65.3 -45.3 45.7 -2.5 8.8 167 171 A D H <5S+ 0 0 3 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 117.3 38.3 -51.5 -43.8 43.6 -0.0 10.7 168 172 A K H <5S+ 0 0 93 -4,-1.8 -2,-0.2 3,-0.2 4,-0.2 0.922 124.7 34.2 -73.7 -46.7 41.6 0.7 7.5 169 173 A H H <5S+ 0 0 154 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.700 131.4 21.5 -94.8 -26.4 41.4 -2.7 5.9 170 174 A T T <5S+ 0 0 68 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.761 131.6 34.8-104.7 -49.9 41.0 -5.1 8.9 171 175 A L < 0 0 30 -5,-2.0 -3,-0.2 0, 0.0 -4,-0.1 0.587 360.0 360.0 -85.1 -11.0 39.8 -3.0 11.8 172 176 A G 0 0 70 -6,-0.4 -4,-0.1 -4,-0.2 -126,-0.0 -0.705 360.0 360.0 -95.4 360.0 37.6 -0.7 9.7