==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-OCT-08 3ES3 . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DI COSTANZO,D.W.CHRISTIANSON . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 82.0 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 64.5 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 1 0 0 0 0 0 0 2 1 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 0 177 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 128.0 18.9 -67.0 54.7 2 6 A S > - 0 0 26 71,-0.5 3,-1.1 1,-0.1 72,-0.0 -0.206 360.0-132.4 -59.8 140.1 18.0 -69.1 51.7 3 7 A Q T 3 S+ 0 0 194 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.685 109.3 49.6 -66.5 -15.1 19.7 -72.5 51.3 4 8 A V T 3 S+ 0 0 72 69,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.518 81.7 119.8-102.1 -7.2 20.4 -71.5 47.7 5 9 A R < + 0 0 57 -3,-1.1 2,-0.2 68,-0.2 68,-0.1 -0.333 29.3 156.0 -65.8 138.2 22.0 -68.1 48.4 6 10 A Q - 0 0 158 66,-0.4 3,-0.1 -2,-0.0 -3,-0.0 -0.817 68.4 -12.5-165.6 118.4 25.6 -67.6 47.2 7 11 A N S S+ 0 0 96 -2,-0.2 2,-0.7 1,-0.2 -2,-0.1 0.646 90.1 140.3 63.2 15.1 27.4 -64.4 46.3 8 12 A Y - 0 0 13 64,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.807 43.5-144.2 -95.2 116.8 24.1 -62.5 46.3 9 13 A D >> - 0 0 45 -2,-0.7 4,-2.3 1,-0.1 3,-0.8 -0.603 16.0-128.8 -87.2 137.8 24.4 -59.1 47.8 10 14 A Q H 3> S+ 0 0 144 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.832 112.2 54.5 -42.8 -40.7 21.6 -57.5 49.9 11 15 A D H 3> S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.873 106.6 49.8 -66.5 -40.9 21.9 -54.4 47.7 12 16 A S H <> S+ 0 0 0 -3,-0.8 4,-3.2 2,-0.2 3,-0.2 0.958 107.5 53.8 -61.1 -54.6 21.5 -56.5 44.5 13 17 A E H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 111.6 46.2 -44.6 -47.4 18.4 -58.1 45.9 14 18 A A H X S+ 0 0 41 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.840 112.0 50.4 -68.2 -36.3 16.9 -54.6 46.6 15 19 A A H X S+ 0 0 6 -4,-1.9 4,-2.5 -3,-0.2 -2,-0.2 0.902 107.8 52.6 -69.5 -41.9 17.8 -53.4 43.2 16 20 A I H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.957 110.0 48.6 -58.5 -49.4 16.2 -56.3 41.5 17 21 A N H X S+ 0 0 22 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.879 111.1 52.3 -52.0 -40.4 13.1 -55.6 43.5 18 22 A R H X S+ 0 0 156 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.864 112.7 43.5 -63.8 -38.9 13.5 -52.0 42.3 19 23 A Q H X S+ 0 0 3 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.866 104.2 62.9 -78.3 -39.0 13.8 -53.1 38.6 20 24 A I H X S+ 0 0 3 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.840 109.1 43.6 -52.2 -36.5 10.9 -55.6 38.8 21 25 A N H X S+ 0 0 42 -4,-1.1 4,-2.1 -5,-0.2 -1,-0.2 0.819 110.7 54.1 -80.8 -33.6 8.7 -52.6 39.6 22 26 A L H X S+ 0 0 40 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.944 108.8 48.5 -65.3 -45.9 10.2 -50.4 36.9 23 27 A E H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.862 110.6 51.7 -62.2 -35.6 9.6 -53.0 34.3 24 28 A L H X S+ 0 0 30 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.892 107.4 52.1 -71.1 -39.6 6.0 -53.4 35.4 25 29 A Y H X S+ 0 0 53 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.910 105.9 53.9 -56.9 -45.6 5.4 -49.7 35.2 26 30 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.803 107.0 54.1 -63.7 -26.1 6.7 -49.6 31.7 27 31 A S H X S+ 0 0 12 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.874 108.1 47.6 -69.6 -39.4 4.1 -52.3 31.0 28 32 A Y H X S+ 0 0 108 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.895 109.2 54.9 -69.9 -42.0 1.3 -50.1 32.4 29 33 A V H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.950 110.9 43.8 -53.7 -54.8 2.5 -47.2 30.3 30 34 A Y H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.875 111.1 53.7 -60.6 -40.7 2.3 -49.1 27.0 31 35 A L H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.925 110.5 48.9 -59.3 -43.9 -1.0 -50.7 27.9 32 36 A S H X S+ 0 0 29 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.934 111.4 47.5 -59.9 -52.0 -2.3 -47.2 28.4 33 37 A M H >X S+ 0 0 1 -4,-2.6 4,-1.5 2,-0.2 3,-1.4 0.966 108.5 57.0 -54.8 -55.3 -0.9 -45.9 25.2 34 38 A S H >< S+ 0 0 4 -4,-3.1 3,-1.2 1,-0.3 4,-0.4 0.913 108.3 44.0 -37.4 -66.1 -2.4 -48.9 23.3 35 39 A Y H 3< S+ 0 0 130 -4,-2.1 -1,-0.3 1,-0.3 3,-0.3 0.643 103.5 67.2 -65.3 -13.4 -6.0 -48.3 24.4 36 40 A Y H X< S+ 0 0 17 -3,-1.4 3,-1.3 -4,-1.1 -1,-0.3 0.924 101.7 47.4 -64.6 -42.4 -5.4 -44.6 23.6 37 41 A F T << S+ 0 0 0 -4,-1.5 7,-1.3 -3,-1.2 11,-0.3 0.491 101.8 66.4 -78.9 -1.3 -5.2 -45.6 19.9 38 42 A D T 3 S+ 0 0 83 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.461 76.3 114.2 -94.8 -5.6 -8.3 -47.7 20.3 39 43 A R S X> S- 0 0 93 -3,-1.3 4,-2.3 -4,-0.2 3,-2.1 -0.406 76.8-124.1 -69.0 143.8 -10.5 -44.6 20.9 40 44 A D T 34 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.787 114.0 52.6 -60.5 -27.2 -13.1 -43.8 18.2 41 45 A D T 34 S+ 0 0 101 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.471 120.7 31.8 -85.0 -2.6 -11.5 -40.3 17.9 42 46 A V T <4 S+ 0 0 30 -3,-2.1 -2,-0.2 -6,-0.1 -5,-0.1 0.720 76.3 174.5-116.0 -61.3 -8.0 -41.8 17.4 43 47 A A < + 0 0 51 -4,-2.3 2,-0.8 -7,-0.2 -5,-0.2 0.788 18.0 145.2 62.6 40.4 -8.5 -45.1 15.6 44 48 A L > - 0 0 14 -7,-1.3 4,-2.0 1,-0.1 -1,-0.2 -0.854 23.1-176.1-105.8 98.5 -5.1 -46.4 14.7 45 49 A K H > S+ 0 0 105 -2,-0.8 4,-1.6 1,-0.2 -1,-0.1 0.737 79.7 47.3 -68.0 -26.0 -5.5 -50.1 15.1 46 50 A N H > S+ 0 0 32 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.831 110.0 51.5 -87.6 -32.0 -1.8 -51.1 14.4 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.899 112.6 48.8 -61.0 -43.5 -0.4 -48.5 16.8 48 52 A A H X S+ 0 0 7 -4,-2.0 4,-1.7 -11,-0.3 -2,-0.2 0.942 114.2 44.6 -59.8 -48.1 -2.8 -49.9 19.4 49 53 A K H X S+ 0 0 94 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.897 110.9 54.7 -67.2 -43.1 -1.7 -53.4 18.5 50 54 A Y H >X S+ 0 0 41 -4,-3.2 4,-2.1 1,-0.2 3,-0.8 0.950 110.0 44.6 -51.4 -57.0 2.0 -52.5 18.5 51 55 A F H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.811 106.3 60.9 -66.1 -31.0 1.9 -50.9 22.0 52 56 A L H 3X S+ 0 0 70 -4,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.837 107.1 46.5 -61.8 -33.2 -0.1 -53.9 23.4 53 57 A H H X S+ 0 0 97 -4,-2.3 4,-2.1 -5,-0.2 3,-0.6 0.953 111.6 46.9 -58.2 -51.0 5.6 -57.5 31.7 60 64 A C H 3X S+ 0 0 45 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.907 108.3 56.9 -56.5 -41.4 7.3 -60.7 30.6 61 65 A H H 3X S+ 0 0 23 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.816 108.7 47.7 -58.4 -32.4 10.7 -59.0 31.2 62 66 A A H XX S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.6 3,-0.6 0.901 107.1 52.3 -76.5 -44.5 9.6 -58.4 34.8 63 67 A E H 3X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.828 106.2 56.6 -61.3 -31.1 8.4 -61.9 35.6 64 68 A K H 3X S+ 0 0 72 -4,-1.8 4,-1.6 1,-0.2 -1,-0.3 0.818 106.0 50.6 -66.5 -29.9 11.8 -63.1 34.3 65 69 A L H S+ 0 0 0 -4,-1.5 5,-2.1 1,-0.2 4,-0.4 0.969 113.9 44.3 -59.4 -51.3 15.2 -63.3 42.5 70 74 A N H ><5S+ 0 0 94 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.913 108.6 58.2 -57.9 -44.9 13.8 -66.7 43.5 71 75 A Q H 3<5S+ 0 0 117 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.855 111.6 41.3 -52.4 -40.3 16.6 -68.5 41.6 72 76 A R T 3<5S- 0 0 26 -4,-1.7 -66,-0.4 -3,-0.4 -1,-0.3 0.307 118.7-103.9 -99.9 8.5 19.3 -66.8 43.8 73 77 A G T < 5S+ 0 0 4 -3,-1.4 -71,-0.5 -4,-0.4 -3,-0.2 0.541 75.7 134.9 86.9 6.7 17.5 -67.0 47.1 74 78 A G < - 0 0 0 -5,-2.1 2,-0.4 -6,-0.3 -1,-0.2 -0.063 53.1-117.3 -73.6-175.1 16.4 -63.4 47.2 75 79 A R - 0 0 126 -3,-0.1 2,-0.4 2,-0.0 -58,-0.1 -0.989 17.2-128.2-138.0 124.1 12.9 -62.3 48.3 76 80 A I - 0 0 51 -2,-0.4 2,-0.5 -10,-0.1 -62,-0.1 -0.569 22.9-176.2 -78.3 124.0 10.4 -60.5 46.1 77 81 A F - 0 0 132 -2,-0.4 2,-0.2 -63,-0.1 -2,-0.0 -0.953 13.5-154.2-120.9 111.0 8.9 -57.4 47.5 78 82 A L - 0 0 114 -2,-0.5 2,-0.3 -58,-0.0 -60,-0.1 -0.547 7.3-161.3 -86.5 146.7 6.2 -55.9 45.3 79 83 A Q - 0 0 131 -2,-0.2 -1,-0.0 -62,-0.2 -2,-0.0 -0.802 36.9 -74.9-121.2 165.2 5.3 -52.2 45.4 80 84 A D - 0 0 133 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.239 47.8-123.5 -53.7 145.8 2.3 -50.2 44.1 81 85 A I - 0 0 77 -57,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.852 28.2-130.8-101.8 105.6 2.3 -49.9 40.3 82 86 A Q - 0 0 120 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.325 16.4-118.4 -67.5 119.8 2.1 -46.2 39.5 83 87 A K - 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 -54,-0.1 -0.058 43.4 -96.7 -44.3 150.5 -0.4 -45.0 37.0 84 88 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.089 30.4-104.3 -74.0 179.0 1.2 -43.3 34.0 85 89 A D S S+ 0 0 142 -3,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.897 94.8 26.1 -68.6 -45.3 1.7 -39.6 33.4 86 90 A R - 0 0 72 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.728 47.3-160.9-123.1 163.5 -1.0 -38.9 30.9 87 91 A D S S+ 0 0 127 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.682 90.1 50.1-109.8 -37.0 -4.3 -40.3 29.9 88 92 A D - 0 0 71 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.909 65.1-168.7-104.6 120.0 -4.4 -38.7 26.4 89 93 A W - 0 0 9 -2,-0.5 2,-2.6 1,-0.1 9,-0.1 0.272 24.1-141.8 -99.5 11.1 -1.2 -39.2 24.4 90 94 A E - 0 0 118 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.300 60.9 -9.7 74.5 -64.8 -2.0 -36.7 21.7 91 95 A S > - 0 0 17 -2,-2.6 4,-1.3 1,-0.1 5,-0.2 -0.947 68.8 -94.4-157.5 174.9 -0.7 -38.5 18.6 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 3,-0.3 0.933 123.6 45.7 -62.6 -48.6 1.3 -41.5 17.1 93 97 A L H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 111.1 53.0 -60.6 -44.5 4.5 -39.4 16.9 94 98 A N H > S+ 0 0 32 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.746 111.7 45.1 -69.9 -22.3 4.0 -38.0 20.4 95 99 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.862 110.5 52.6 -84.2 -41.0 3.6 -41.5 21.9 96 100 A M H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.839 110.9 49.6 -61.0 -31.7 6.5 -43.0 20.0 97 101 A E H X S+ 0 0 65 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.868 111.0 48.1 -74.4 -37.8 8.6 -40.1 21.4 98 102 A A H X S+ 0 0 27 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.829 110.7 53.0 -68.5 -32.6 7.3 -40.8 24.9 99 103 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.888 105.4 53.0 -68.5 -43.4 8.2 -44.5 24.4 100 104 A L H X S+ 0 0 35 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.940 110.4 47.3 -57.7 -50.9 11.7 -43.7 23.4 101 105 A Q H X S+ 0 0 103 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.916 112.4 50.2 -57.4 -45.4 12.3 -41.7 26.5 102 106 A L H X S+ 0 0 16 -4,-2.0 4,-2.7 1,-0.2 3,-0.4 0.966 110.1 49.7 -58.4 -52.5 10.7 -44.4 28.6 103 107 A E H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.898 110.8 50.0 -54.5 -41.2 12.9 -47.0 27.0 104 108 A K H X S+ 0 0 107 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.824 110.4 51.0 -68.4 -29.5 16.0 -44.8 27.7 105 109 A N H X S+ 0 0 86 -4,-2.1 4,-2.0 -3,-0.4 -2,-0.2 0.921 112.2 44.5 -71.3 -45.4 14.9 -44.4 31.3 106 110 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.860 113.7 52.8 -63.6 -35.5 14.5 -48.2 31.9 107 111 A N H X S+ 0 0 28 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.915 106.2 52.0 -65.8 -45.7 17.8 -48.6 30.0 108 112 A Q H X S+ 0 0 105 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.932 110.1 49.9 -51.6 -48.7 19.6 -46.2 32.3 109 113 A S H X S+ 0 0 38 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.886 108.7 51.0 -61.8 -43.6 18.2 -48.1 35.3 110 114 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.893 108.2 52.3 -62.6 -41.3 19.5 -51.4 33.9 111 115 A L H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.926 107.5 52.3 -61.1 -43.3 22.9 -50.0 33.4 112 116 A E H X S+ 0 0 110 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.937 108.1 52.0 -53.1 -49.2 23.0 -48.8 37.0 113 117 A L H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.821 107.4 53.4 -59.1 -32.6 22.1 -52.4 38.0 114 118 A H H X S+ 0 0 35 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.920 107.4 48.6 -72.0 -43.0 25.0 -53.7 35.9 115 119 A K H X S+ 0 0 138 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.932 112.7 49.6 -61.6 -44.0 27.6 -51.4 37.6 116 120 A L H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 108.7 51.8 -60.0 -45.1 26.3 -52.5 41.0 117 121 A A H <>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 -1,-0.2 0.918 113.2 45.9 -56.6 -45.7 26.4 -56.2 40.0 118 122 A T H ><5S+ 0 0 70 -4,-2.3 3,-1.8 3,-0.2 -2,-0.2 0.906 109.8 52.7 -62.5 -47.3 30.0 -55.7 39.0 119 123 A D H 3<5S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.892 110.9 47.2 -60.6 -40.3 31.0 -53.7 42.1 120 124 A K T 3<5S- 0 0 71 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.394 118.3-118.2 -79.4 4.0 29.6 -56.5 44.3 121 125 A N T < 5 + 0 0 124 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.989 58.9 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