==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAY-06 2CN7 . 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) . 9838.0 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 0 168 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 125.0 23.8 -19.3 54.4 2 6 A S > - 0 0 23 71,-0.5 3,-1.2 1,-0.1 72,-0.0 -0.354 360.0-126.9 -59.4 139.7 21.6 -18.0 51.5 3 7 A Q T 3 S+ 0 0 197 1,-0.3 -1,-0.1 -2,-0.1 70,-0.0 0.697 112.3 47.5 -57.5 -23.8 18.2 -19.7 51.2 4 8 A V T 3 S+ 0 0 77 69,-0.0 -1,-0.3 2,-0.0 69,-0.1 0.626 83.2 119.6 -91.6 -16.4 19.1 -20.4 47.5 5 9 A R < + 0 0 66 -3,-1.2 2,-0.3 68,-0.2 68,-0.1 -0.249 31.8 156.6 -62.3 134.1 22.5 -21.8 48.1 6 10 A Q - 0 0 158 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.902 65.2 -13.6-159.8 121.0 23.1 -25.4 46.9 7 11 A N S S+ 0 0 96 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.789 90.2 135.8 59.9 30.2 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 -0.910 46.2-144.9-118.3 104.6 28.2 -24.1 45.9 9 13 A H >> - 0 0 74 -2,-0.7 4,-2.2 1,-0.1 3,-0.5 -0.387 17.2-124.8 -73.0 145.7 31.6 -24.4 47.6 10 14 A Q H 3> S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.853 113.3 55.2 -49.9 -38.9 33.2 -21.5 49.5 11 15 A D H 3> S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 106.7 49.8 -67.1 -36.4 36.3 -21.9 47.3 12 16 A S H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.941 108.6 52.8 -66.3 -47.8 34.1 -21.5 44.1 13 17 A E H X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.926 112.5 45.4 -51.1 -49.8 32.5 -18.3 45.5 14 18 A A H X S+ 0 0 41 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.903 110.9 51.2 -63.8 -42.9 35.9 -16.9 46.2 15 19 A A H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.879 107.6 54.9 -64.4 -36.7 37.3 -17.8 42.8 16 20 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.933 106.1 51.3 -61.9 -44.4 34.3 -16.1 41.2 17 21 A N H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.897 110.8 48.3 -58.0 -41.1 35.1 -12.9 43.1 18 22 A R H X S+ 0 0 161 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 110.3 51.3 -64.5 -41.9 38.7 -13.1 41.8 19 23 A Q H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.882 106.3 55.2 -63.8 -39.1 37.5 -13.7 38.3 20 24 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.953 110.5 45.7 -56.1 -50.4 35.2 -10.6 38.6 21 25 A N H X S+ 0 0 37 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.924 111.4 51.6 -60.0 -42.3 38.1 -8.5 39.5 22 26 A L H X S+ 0 0 41 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.913 109.8 49.5 -63.0 -42.3 40.3 -9.9 36.7 23 27 A D H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.910 112.0 48.2 -62.4 -42.3 37.6 -9.2 34.1 24 28 A L H X S+ 0 0 32 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.919 111.3 51.2 -64.1 -43.3 37.2 -5.6 35.4 25 29 A Y H X S+ 0 0 43 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.952 109.8 48.7 -56.6 -50.5 41.0 -5.3 35.2 26 30 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.912 108.8 54.3 -57.3 -41.0 41.0 -6.6 31.6 27 31 A S H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.900 109.7 48.5 -54.2 -43.6 38.2 -4.0 30.8 28 32 A Y H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 108.4 52.0 -67.8 -41.7 40.5 -1.3 32.2 29 33 A V H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.953 112.0 46.6 -57.3 -49.3 43.6 -2.4 30.2 30 34 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.885 109.9 53.6 -67.4 -36.6 41.5 -2.3 27.0 31 35 A L H X S+ 0 0 60 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.927 110.0 48.3 -56.9 -46.4 40.1 1.1 27.9 32 36 A S H X S+ 0 0 33 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.924 112.6 47.5 -60.9 -48.3 43.7 2.4 28.4 33 37 A M H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.914 108.1 56.6 -58.7 -46.1 44.7 0.9 25.0 34 38 A S H X S+ 0 0 3 -4,-2.8 4,-0.6 1,-0.2 3,-0.4 0.932 109.4 43.4 -53.0 -53.9 41.7 2.4 23.2 35 39 A Y H < S+ 0 0 126 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.741 103.4 65.7 -74.6 -19.0 42.4 5.9 24.2 36 40 A Y H >< S+ 0 0 20 -4,-1.5 3,-1.6 1,-0.2 7,-0.3 0.934 102.9 48.7 -58.8 -43.5 46.1 5.6 23.5 37 41 A F H 3< S+ 0 0 0 -4,-1.6 7,-2.0 -3,-0.4 -1,-0.2 0.657 102.8 63.0 -74.3 -14.0 45.1 5.2 19.8 38 42 A D T 3< S+ 0 0 102 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.526 78.7 113.6 -80.2 -10.7 42.9 8.2 20.2 39 43 A R S X> S- 0 0 98 -3,-1.6 4,-2.5 -4,-0.4 3,-1.9 -0.356 77.1-124.3 -63.8 146.5 46.0 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 0.709 112.2 52.8 -63.5 -21.8 46.8 13.0 18.1 41 45 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.209 121.0 30.7 -99.2 11.7 50.3 11.6 17.8 42 46 A V T <4 S+ 0 0 34 -3,-1.9 -2,-0.2 -5,-0.1 -5,-0.1 0.529 78.5 173.0-126.7 -63.2 49.0 8.0 17.3 43 47 A A < + 0 0 64 -4,-2.5 2,-0.6 -7,-0.3 -5,-0.2 0.850 17.1 145.4 59.9 50.4 45.7 8.7 15.6 44 48 A L > - 0 0 18 -7,-2.0 4,-2.2 1,-0.1 -1,-0.2 -0.829 23.4-176.5-116.5 91.4 44.5 5.1 14.6 45 49 A K H > S+ 0 0 157 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.766 78.4 49.7 -65.9 -33.1 40.7 5.5 15.0 46 50 A N H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.862 108.1 51.7 -80.5 -33.4 39.9 1.8 14.3 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 111.8 50.5 -56.2 -46.0 42.5 0.4 16.7 48 52 A A H X S+ 0 0 10 -4,-2.2 4,-2.0 -11,-0.2 -2,-0.2 0.933 112.3 45.4 -54.6 -49.6 40.8 2.8 19.2 49 53 A K H X S+ 0 0 141 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.927 110.9 53.9 -62.8 -45.8 37.3 1.5 18.3 50 54 A Y H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.939 112.0 42.3 -54.0 -51.7 38.5 -2.2 18.4 51 55 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.844 110.7 56.0 -72.0 -28.7 40.0 -1.9 21.9 52 56 A L H X S+ 0 0 44 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.932 107.3 50.5 -67.3 -41.0 37.0 0.1 23.3 53 57 A H H X S+ 0 0 112 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.936 110.2 49.8 -57.2 -47.1 34.7 -2.7 22.1 54 58 A Q H X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 107.7 54.9 -57.6 -44.2 37.0 -5.2 23.9 55 59 A S H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.935 109.2 45.5 -54.7 -51.0 36.8 -3.1 27.1 56 60 A H H X S+ 0 0 110 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.887 109.9 56.1 -64.1 -37.8 33.0 -3.1 27.1 57 61 A E H X S+ 0 0 59 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.899 107.1 48.8 -57.6 -44.6 33.0 -6.9 26.4 58 62 A E H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 109.7 51.9 -65.9 -41.4 35.2 -7.6 29.5 59 63 A R H X S+ 0 0 135 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.920 108.4 51.6 -59.5 -41.5 32.9 -5.4 31.7 60 64 A E H X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 107.7 52.2 -62.2 -40.1 29.9 -7.4 30.4 61 65 A H H X S+ 0 0 17 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.905 109.9 49.9 -59.1 -44.6 31.7 -10.7 31.4 62 66 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 109.9 49.6 -59.9 -45.9 32.3 -9.2 34.9 63 67 A E H X S+ 0 0 72 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.886 107.2 54.5 -65.0 -36.3 28.7 -8.3 35.3 64 68 A K H X S+ 0 0 70 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.863 108.8 49.5 -66.0 -34.5 27.5 -11.7 34.2 65 69 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.862 108.0 53.0 -70.0 -36.8 29.7 -13.2 36.9 66 70 A M H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.949 110.5 47.9 -64.5 -43.9 28.3 -10.8 39.5 67 71 A K H X S+ 0 0 131 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 111.3 50.5 -57.9 -46.0 24.8 -12.1 38.4 68 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.3 0.931 105.7 56.5 -57.5 -48.3 26.1 -15.7 38.7 69 73 A Q H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-0.6 0.944 112.8 40.8 -48.6 -53.0 27.4 -15.0 42.2 70 74 A N H ><5S+ 0 0 85 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.873 109.0 59.7 -66.5 -36.2 24.0 -13.9 43.3 71 75 A Q H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 110.5 42.5 -57.5 -39.4 22.2 -16.7 41.4 72 76 A R H 3<5S- 0 0 26 -4,-2.3 -66,-0.5 -3,-0.2 -1,-0.2 0.496 119.4-107.2 -88.9 -4.6 24.1 -19.2 43.5 73 77 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.5 -4,-0.6 -3,-0.2 0.592 74.4 137.5 87.8 10.0 23.7 -17.4 46.8 74 78 A G < - 0 0 0 -5,-2.4 2,-0.5 -6,-0.3 -1,-0.2 -0.256 53.3-117.4 -74.8 171.5 27.3 -16.3 47.0 75 79 A R - 0 0 123 -3,-0.1 2,-0.3 -2,-0.1 -58,-0.1 -0.967 19.1-127.2-123.0 124.4 28.3 -12.8 48.1 76 80 A I - 0 0 44 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.529 24.2-176.0 -68.6 126.9 30.0 -10.4 45.8 77 81 A F - 0 0 140 -2,-0.3 2,-0.2 -63,-0.1 -2,-0.0 -0.972 12.3-155.1-125.7 115.2 33.2 -8.8 47.3 78 82 A L - 0 0 103 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.567 8.0-165.7 -88.1 148.2 34.8 -6.2 45.1 79 83 A Q - 0 0 136 -2,-0.2 -2,-0.0 -62,-0.2 -1,-0.0 -0.835 38.3 -71.1-124.6 166.7 38.5 -5.2 45.1 80 84 A D - 0 0 124 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.243 44.6-127.8 -50.4 141.9 40.5 -2.3 43.7 81 85 A I - 0 0 76 -57,-0.1 -1,-0.1 -3,-0.0 -59,-0.1 -0.879 30.5-131.7 -94.8 111.3 40.8 -2.4 40.0 82 86 A Q - 0 0 114 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.309 17.3-110.1 -65.7 140.9 44.5 -2.1 39.4 83 87 A K - 0 0 135 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.364 46.2 -95.2 -62.7 146.3 45.8 0.4 36.8 84 88 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.199 31.5-112.0 -60.7 161.1 47.2 -1.3 33.7 85 89 A D S S+ 0 0 140 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.724 97.6 45.5 -68.0 -24.9 51.0 -1.9 33.5 86 90 A C - 0 0 46 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.913 46.8-174.8-122.7 146.9 51.5 0.6 30.7 87 91 A D S S+ 0 0 127 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.656 88.9 47.1 -98.2 -34.8 50.3 4.2 30.1 88 92 A D - 0 0 79 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.944 66.6-166.7-112.1 124.0 51.9 4.3 26.6 89 93 A W - 0 0 11 -2,-0.5 2,-2.2 -57,-0.1 6,-0.2 0.300 23.6-142.9 -99.6 8.8 51.3 1.2 24.4 90 94 A E - 0 0 136 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.259 60.9 -12.3 76.1 -58.1 53.9 1.9 21.7 91 95 A S S > S- 0 0 13 -2,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.968 72.3 -92.8-166.9 166.8 52.3 0.8 18.5 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.902 124.4 49.2 -58.8 -45.6 49.3 -1.1 17.1 93 97 A L H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 110.6 49.8 -59.1 -49.3 51.4 -4.3 17.0 94 98 A N H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.915 111.2 49.0 -60.4 -41.8 52.6 -3.9 20.5 95 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.910 111.3 49.6 -62.3 -43.9 49.1 -3.3 21.8 96 100 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 111.2 49.6 -60.3 -42.1 47.8 -6.4 19.9 97 101 A E H X S+ 0 0 62 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.921 111.7 48.8 -62.8 -43.1 50.7 -8.5 21.4 98 102 A C H X S+ 0 0 36 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.891 110.4 51.0 -61.6 -41.7 49.8 -7.1 24.9 99 103 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.910 108.8 51.6 -62.3 -42.9 46.1 -8.0 24.3 100 104 A L H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.955 110.6 48.0 -57.1 -48.8 47.0 -11.5 23.3 101 105 A H H X S+ 0 0 127 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 113.6 48.5 -57.2 -47.1 49.1 -11.9 26.5 102 106 A L H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 110.4 49.5 -58.3 -51.2 46.2 -10.5 28.5 103 107 A D H X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.866 110.2 51.0 -62.4 -37.1 43.5 -12.8 26.9 104 108 A K H X S+ 0 0 123 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.898 110.3 50.1 -67.7 -37.1 45.7 -15.9 27.5 105 109 A N H X S+ 0 0 81 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.912 111.6 47.3 -64.2 -41.7 46.1 -14.9 31.2 106 110 A V H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.908 111.4 52.5 -63.1 -38.3 42.4 -14.4 31.5 107 111 A N H X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.902 105.9 53.1 -64.4 -43.4 42.0 -17.8 29.8 108 112 A Q H X S+ 0 0 102 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.909 109.7 49.1 -57.1 -44.6 44.4 -19.5 32.3 109 113 A S H X S+ 0 0 29 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.917 110.3 50.5 -61.8 -45.7 42.2 -18.1 35.1 110 114 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.906 110.5 49.8 -56.8 -43.2 39.0 -19.4 33.4 111 115 A L H X S+ 0 0 78 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.896 110.8 48.5 -64.5 -40.0 40.6 -22.8 33.1 112 116 A E H X S+ 0 0 113 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.866 110.9 51.8 -65.3 -36.4 41.7 -22.9 36.7 113 117 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.928 110.5 47.8 -67.1 -42.4 38.2 -21.8 37.7 114 118 A H H X S+ 0 0 35 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.922 110.6 51.6 -65.7 -45.5 36.8 -24.7 35.6 115 119 A K H X S+ 0 0 125 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.922 110.9 49.0 -52.3 -47.0 39.3 -27.1 37.2 116 120 A L H X S+ 0 0 32 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.939 111.3 48.0 -60.8 -47.4 38.1 -25.9 40.7 117 121 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 -1,-0.2 0.866 112.4 50.3 -60.1 -38.7 34.4 -26.3 39.7 118 122 A T H ><5S+ 0 0 69 -4,-2.6 3,-1.5 3,-0.2 -2,-0.2 0.924 110.2 49.8 -63.1 -45.4 35.2 -29.8 38.4 119 123 A D H 3<5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.814 112.3 47.7 -66.0 -31.5 37.0 -30.7 41.7 120 124 A K T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.306 112.2-121.0 -91.5 11.2 34.1 -29.5 43.7 121 125 A N T < 5 + 0 0 125 -3,-1.5 -3,-0.2 1,-0.2 3,-0.1 0.933 59.9 150.1 48.4 53.1 31.6 -31.4 41.6 122 126 A D >< + 0 0 3 -5,-2.7 4,-2.2 1,-0.1 -1,-0.2 -0.823 16.0 171.8-115.4 84.1 29.7 -28.3 40.6 123 127 A P H > S+ 0 0 92 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.822 76.4 58.8 -69.3 -28.8 28.3 -29.1 37.1 124 128 A H H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.945 109.5 43.6 -62.2 -45.9 26.2 -25.9 37.0 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 112.6 52.3 -66.9 -40.8 29.3 -23.8 37.4 126 130 A C H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.947 112.2 46.4 -54.7 -49.0 31.3 -26.0 34.9 127 131 A D H X S+ 0 0 87 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.874 109.7 54.0 -61.9 -41.5 28.5 -25.5 32.4 128 132 A F H X S+ 0 0 10 -4,-2.4 4,-2.4 2,-0.2 5,-0.4 0.935 111.3 45.1 -59.1 -49.1 28.3 -21.7 33.1 129 133 A I H X>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 4,-2.0 0.910 116.1 45.7 -62.7 -45.2 32.0 -21.3 32.3 130 134 A E H <>S+ 0 0 92 -4,-2.4 5,-0.9 3,-0.2 6,-0.3 0.964 115.9 47.0 -60.9 -52.4 31.9 -23.4 29.2 131 135 A T H <5S+ 0 0 86 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.893 126.6 21.8 -56.0 -52.0 28.7 -21.7 27.9 132 136 A H H <5S+ 0 0 62 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.753 133.5 18.2 -96.5 -26.6 29.7 -18.1 28.4 133 137 A Y T X5S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.4 -3,-0.2 0.822 101.2 64.5-121.5 -41.7 33.5 -18.0 28.5 134 138 A L H > S+ 0 0 69 -6,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.917 110.0 47.2 -52.7 -42.2 34.5 -16.8 23.7 137 141 A Q H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.908 109.8 50.6 -71.8 -43.8 38.1 -16.8 25.0 138 142 A V H X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.904 112.1 49.1 -56.8 -44.5 39.5 -19.2 22.4 139 143 A K H X S+ 0 0 107 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.912 111.1 49.6 -62.7 -42.6 37.8 -17.1 19.6 140 144 A A H X S+ 0 0 18 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.921 112.2 47.2 -61.6 -46.0 39.3 -13.9 21.1 141 145 A I H X S+ 0 0 30 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.924 111.4 50.7 -62.6 -45.5 42.8 -15.4 21.3 142 146 A K H X S+ 0 0 127 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.915 111.2 48.8 -58.7 -43.9 42.6 -16.7 17.8 143 147 A E H X S+ 0 0 82 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.931 111.4 48.5 -65.7 -46.5 41.5 -13.3 16.4 144 148 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.911 111.2 51.5 -60.6 -41.0 44.3 -11.5 18.3 145 149 A G H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.931 109.4 50.1 -56.6 -47.7 46.8 -14.1 16.9 146 150 A D H X S+ 0 0 66 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.909 111.6 48.2 -55.2 -48.3 45.5 -13.4 13.4 147 151 A H H X S+ 0 0 18 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.918 111.2 49.6 -62.1 -46.9 45.9 -9.7 13.9 148 152 A V H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.952 111.0 50.5 -56.8 -48.3 49.5 -10.0 15.3 149 153 A T H X S+ 0 0 68 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.933 112.5 45.7 -55.8 -51.9 50.4 -12.2 12.3 150 154 A N H X S+ 0 0 80 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.924 112.7 50.2 -60.6 -44.4 49.1 -9.8 9.7 151 155 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.7 0.929 113.1 46.4 -61.7 -45.4 50.7 -6.8 11.4 152 156 A R H ><5S+ 0 0 136 -4,-2.9 3,-1.1 -5,-0.2 -2,-0.2 0.943 113.0 48.9 -60.4 -46.3 54.1 -8.5 11.5 153 157 A K H 3<5S+ 0 0 179 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.8 55.1 -65.2 -31.2 53.8 -9.7 7.9 154 158 A M H 3<5S- 0 0 75 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.648 125.5-100.0 -75.0 -15.9 52.9 -6.2 6.7 155 159 A G T S+ 0 0 52 -2,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.834 87.7 60.2 -66.6 -34.5 53.6 3.3 9.9 161 165 A L H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.877 101.8 52.1 -53.7 -44.6 52.0 2.6 6.5 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 111.9 44.2 -60.3 -50.7 51.3 -1.1 7.6 163 167 A E H X S+ 0 0 15 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.916 114.0 51.8 -65.2 -37.6 49.6 -0.0 10.8 164 168 A Y H X S+ 0 0 123 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.942 113.2 43.7 -58.2 -48.2 47.6 2.7 8.8 165 169 A L H X S+ 0 0 62 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.870 112.5 51.6 -71.8 -34.8 46.4 0.1 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.2 5,-2.1 0.917 107.5 53.9 -65.7 -43.4 45.6 -2.5 8.8 167 171 A D H <5S+ 0 0 5 -4,-2.4 5,-0.2 -5,-0.2 -2,-0.2 0.927 116.9 38.5 -51.5 -48.0 43.5 0.0 10.7 168 172 A K H <5S+ 0 0 93 -4,-1.9 4,-0.3 3,-0.2 -2,-0.2 0.950 125.5 32.8 -68.4 -51.2 41.6 0.8 7.5 169 173 A H H <5S+ 0 0 146 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.716 130.9 23.1 -92.1 -27.4 41.2 -2.7 6.0 170 174 A T T <5S+ 0 0 69 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.784 132.4 32.8-101.0 -48.4 41.0 -5.1 8.9 171 175 A L < 0 0 28 -5,-2.1 -3,-0.2 -122,-0.0 -4,-0.2 0.639 360.0 360.0 -86.2 -12.5 39.8 -3.0 11.8 172 176 A G 0 0 70 -6,-0.4 -4,-0.1 -4,-0.3 -126,-0.0 -0.522 360.0 360.0-101.8 360.0 37.6 -0.6 9.7