==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 25-JUN-98 6HBI . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR W.E.ROYER JUNIOR . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 88.3 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 1 1 0 0 0 2 0 0 0 2 3 1 2 0 1 1 0 0 0 0 0 0 0 0 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 85 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 158.6 13.6 -11.5 23.9 2 3 A V H > + 0 0 6 141,-0.3 4,-2.5 1,-0.2 5,-0.2 0.800 360.0 59.2 -64.0 -24.9 11.6 -8.3 24.4 3 4 A Y H > S+ 0 0 132 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.932 108.9 43.9 -69.5 -43.4 8.6 -10.3 25.8 4 5 A D H > S+ 0 0 104 -3,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.889 113.7 50.1 -66.2 -41.9 10.8 -11.8 28.6 5 6 A A H >< S+ 0 0 17 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.925 106.6 56.1 -63.9 -42.4 12.4 -8.5 29.4 6 7 A A H >< S+ 0 0 10 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.880 100.5 59.7 -58.3 -35.8 8.9 -6.8 29.6 7 8 A A H 3< S+ 0 0 73 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.702 89.3 71.5 -67.0 -17.1 8.0 -9.4 32.2 8 9 A Q T << S+ 0 0 104 -3,-1.5 2,-1.8 -4,-0.5 -1,-0.3 0.645 72.8 95.7 -73.0 -12.0 10.9 -8.2 34.5 9 10 A L < - 0 0 16 -3,-1.6 -1,-0.1 -4,-0.3 2,-0.1 -0.587 64.5-177.5 -83.7 86.1 8.9 -5.0 35.1 10 11 A T > - 0 0 75 -2,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.277 42.1 -87.3 -77.6 171.3 7.2 -6.1 38.4 11 12 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.857 127.0 43.8 -48.6 -45.8 4.7 -4.1 40.4 12 13 A D H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.882 111.4 52.8 -76.1 -32.0 7.2 -2.2 42.5 13 14 A V H > S+ 0 0 19 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.951 110.8 49.1 -64.0 -44.8 9.5 -1.4 39.5 14 15 A K H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.914 112.0 48.7 -59.4 -42.3 6.4 -0.0 37.7 15 16 A K H X S+ 0 0 114 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.919 111.3 48.5 -64.6 -44.6 5.5 2.1 40.8 16 17 A D H X S+ 0 0 21 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.872 110.1 52.9 -66.1 -33.8 9.1 3.4 41.2 17 18 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.939 111.9 45.5 -64.2 -46.6 9.2 4.3 37.4 18 19 A R H X S+ 0 0 79 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 111.8 50.9 -65.1 -43.9 5.9 6.3 37.8 19 20 A D H X S+ 0 0 54 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.895 115.2 41.5 -64.5 -38.8 6.9 8.1 41.0 20 21 A S H >X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 3,-0.7 0.909 111.9 55.5 -75.0 -36.1 10.2 9.3 39.5 21 22 A W H 3X S+ 0 0 16 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.879 95.9 66.9 -63.7 -34.8 8.7 10.1 36.1 22 23 A K H 3< S+ 0 0 166 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.895 114.1 30.2 -50.3 -40.3 6.2 12.4 38.0 23 24 A V H X< S+ 0 0 52 -4,-0.8 3,-1.7 -3,-0.7 4,-0.5 0.962 124.1 43.6 -86.1 -55.6 9.2 14.6 38.9 24 25 A I H >< S+ 0 0 13 -4,-2.6 3,-1.1 1,-0.3 7,-0.3 0.892 113.4 51.9 -59.6 -40.3 11.6 14.1 35.9 25 26 A G T 3< S+ 0 0 6 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.3 0.600 88.8 82.2 -74.4 -8.5 8.8 14.3 33.3 26 27 A S T < S+ 0 0 96 -3,-1.7 2,-0.4 1,-0.3 -1,-0.2 0.829 101.9 33.6 -70.0 -24.7 7.6 17.6 34.8 27 28 A D <> + 0 0 77 -3,-1.1 4,-2.5 -4,-0.5 5,-0.4 -0.741 69.2 169.5-131.8 86.4 10.3 19.5 32.8 28 29 A K H > S+ 0 0 37 -3,-0.5 4,-2.1 -2,-0.4 5,-0.3 0.907 78.0 46.5 -64.7 -40.6 10.8 17.7 29.5 29 30 A K H > S+ 0 0 67 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.969 117.0 42.4 -69.0 -49.5 13.0 20.3 27.9 30 31 A G H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.941 120.3 40.2 -64.2 -49.5 15.3 20.9 30.9 31 32 A N H X S+ 0 0 10 -4,-2.5 4,-2.5 -7,-0.3 -1,-0.2 0.893 114.3 52.6 -73.9 -33.6 15.7 17.2 31.9 32 33 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.4 -2,-0.2 0.944 111.9 45.8 -64.2 -45.5 16.0 16.0 28.3 33 34 A V H X S+ 0 0 10 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.930 113.3 50.2 -64.3 -41.2 18.8 18.5 27.5 34 35 A A H X S+ 0 0 33 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.918 109.7 51.4 -62.3 -40.8 20.5 17.6 30.7 35 36 A L H X S+ 0 0 12 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.922 112.6 45.6 -60.9 -47.0 20.3 13.9 29.9 36 37 A M H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 111.6 50.2 -67.1 -41.5 21.8 14.5 26.4 37 38 A T H X S+ 0 0 49 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.910 110.0 51.4 -66.8 -35.6 24.7 16.7 27.7 38 39 A T H X S+ 0 0 30 -4,-2.3 4,-2.8 -5,-0.2 5,-0.4 0.873 109.3 51.6 -68.5 -34.1 25.6 14.2 30.4 39 40 A L H X S+ 0 0 13 -4,-1.7 4,-2.8 1,-0.2 7,-0.2 0.970 113.4 43.3 -63.7 -49.7 25.7 11.4 27.7 40 41 A F H < S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.808 116.9 48.0 -67.4 -29.4 28.0 13.5 25.5 41 42 A A H < S+ 0 0 66 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.942 120.6 33.9 -75.5 -48.9 30.1 14.5 28.5 42 43 A D H < S+ 0 0 69 -4,-2.8 2,-0.3 1,-0.3 -2,-0.2 0.845 130.5 33.6 -77.2 -32.2 30.5 11.0 30.0 43 44 A N >< + 0 0 37 -4,-2.8 3,-2.0 -5,-0.4 4,-0.3 -0.573 65.8 172.0-128.4 71.4 30.6 9.2 26.7 44 45 A Q G > S+ 0 0 122 -3,-0.5 3,-2.0 -2,-0.3 4,-0.3 0.824 71.9 70.2 -46.2 -40.4 32.3 11.4 24.2 45 46 A E G > S+ 0 0 104 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.787 86.5 65.4 -55.4 -28.3 32.4 8.7 21.6 46 47 A T G X> S+ 0 0 4 -3,-2.0 3,-1.5 1,-0.2 4,-0.6 0.673 78.2 83.0 -73.1 -13.1 28.6 8.8 21.0 47 48 A I G X4 S+ 0 0 47 -3,-2.0 3,-1.5 -4,-0.3 -1,-0.2 0.851 77.6 70.8 -59.5 -29.1 28.7 12.3 19.6 48 49 A G G X4 S+ 0 0 36 -3,-1.1 3,-1.0 -4,-0.3 -1,-0.3 0.830 94.1 54.5 -56.9 -32.3 29.6 10.7 16.2 49 50 A Y G <4 S+ 0 0 103 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.759 105.5 54.2 -72.6 -23.8 26.1 9.4 15.9 50 51 A F G XX + 0 0 42 -3,-1.5 3,-1.5 -4,-0.6 4,-0.6 -0.035 63.9 130.7-106.2 35.5 24.7 12.9 16.4 51 52 A K G X4 + 0 0 167 -3,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.828 69.5 61.5 -53.9 -36.1 26.6 14.6 13.6 52 53 A R G 34 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.795 93.2 64.3 -65.9 -27.6 23.3 16.2 12.4 53 54 A L G <4 S- 0 0 7 -3,-1.5 12,-0.4 1,-0.2 11,-0.3 0.728 90.7-160.7 -70.5 -21.0 22.8 18.1 15.7 54 55 A G << + 0 0 47 -3,-1.1 2,-2.0 -4,-0.6 -1,-0.2 -0.517 60.2 21.4 81.3-139.3 26.0 20.1 15.1 55 56 A D > - 0 0 98 -2,-0.2 3,-1.7 1,-0.2 4,-0.2 -0.405 64.4-179.8 -77.4 86.5 27.7 21.8 18.0 56 57 A V G > + 0 0 14 -2,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.765 68.8 74.4 -53.5 -29.7 26.4 19.8 20.9 57 58 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.670 79.8 74.6 -67.2 -14.5 28.3 21.9 23.6 58 59 A Q G X S- 0 0 102 -3,-1.7 3,-1.8 1,-0.2 -1,-0.3 0.695 78.2-178.7 -70.0 -18.9 25.8 24.7 23.1 59 60 A G G X + 0 0 9 -3,-2.1 3,-2.5 1,-0.3 7,-0.3 -0.275 67.2 10.1 59.2-128.4 23.3 22.6 25.0 60 61 A M G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.741 125.0 63.9 -53.1 -29.4 20.0 24.5 25.3 61 62 A A G < S+ 0 0 73 -3,-1.8 2,-0.8 -4,-0.1 -1,-0.3 0.634 83.0 86.6 -75.1 -13.3 21.1 27.1 22.8 62 63 A N <> - 0 0 21 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.819 67.5-158.1 -91.4 115.4 21.3 24.6 20.0 63 64 A D H > S+ 0 0 78 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.856 88.7 50.5 -61.5 -37.0 17.9 24.3 18.4 64 65 A K H > S+ 0 0 95 -11,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.910 112.5 45.7 -71.8 -41.7 18.4 20.8 16.9 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.943 113.6 50.5 -64.0 -44.8 19.7 19.3 20.2 66 67 A R H X S+ 0 0 20 -4,-2.5 4,-2.2 -7,-0.3 -2,-0.2 0.911 110.8 49.3 -61.1 -41.5 16.8 21.0 22.1 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.941 113.3 46.7 -60.8 -47.1 14.3 19.6 19.5 68 69 A H H X S+ 0 0 25 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.923 110.8 52.1 -60.2 -48.6 15.8 16.1 19.9 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.886 110.2 47.5 -58.5 -42.6 15.9 16.3 23.7 70 71 A I H X S+ 0 0 2 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.954 113.5 48.2 -66.1 -47.6 12.2 17.2 23.9 71 72 A V H >X S+ 0 0 47 -4,-2.4 4,-1.4 1,-0.2 3,-0.5 0.915 107.8 56.1 -60.9 -39.5 11.2 14.4 21.5 72 73 A L H 3X S+ 0 0 40 -4,-2.8 4,-1.7 1,-0.2 3,-0.5 0.931 103.7 54.2 -57.8 -42.0 13.2 11.9 23.4 73 74 A M H 3X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.829 103.2 55.7 -68.7 -25.3 11.3 12.7 26.6 74 75 A Y H < S+ 0 0 6 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.936 110.8 49.0 -62.0 -42.9 6.8 4.0 27.7 80 81 A I H >< S+ 0 0 5 -4,-2.5 3,-1.4 1,-0.2 4,-0.2 0.923 109.6 52.7 -62.1 -41.7 5.5 5.1 31.2 81 82 A D H 3< S+ 0 0 61 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.783 106.8 53.7 -67.3 -21.2 2.0 5.3 29.8 82 83 A Q T X< S+ 0 0 22 -4,-1.4 3,-1.0 -3,-0.6 7,-0.6 0.428 76.6 99.7 -93.2 5.0 2.2 1.7 28.4 83 84 A L T < S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.767 74.3 62.3 -64.3 -22.7 3.2 0.0 31.7 84 85 A D T 3 S+ 0 0 125 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.825 107.3 44.2 -71.6 -31.5 -0.4 -1.2 32.4 85 86 A N X> - 0 0 56 -3,-1.0 4,-2.5 1,-0.1 3,-0.5 -0.881 63.6-166.3-121.8 104.3 -0.4 -3.3 29.2 86 87 A P H 3> S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.842 91.3 56.9 -50.9 -37.4 2.6 -5.5 28.4 87 88 A D H 3> S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 110.7 42.5 -65.2 -39.9 1.3 -6.1 24.8 88 89 A D H <> S+ 0 0 8 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.894 111.9 54.0 -72.6 -41.4 1.2 -2.4 24.1 89 90 A L H X S+ 0 0 5 -4,-2.5 4,-2.8 -7,-0.6 -2,-0.2 0.940 111.0 47.5 -56.0 -48.5 4.6 -1.7 25.8 90 91 A V H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.940 111.2 47.4 -62.8 -47.3 6.2 -4.3 23.6 91 92 A C H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.903 115.2 47.7 -67.5 -32.2 4.7 -3.1 20.2 92 93 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.925 112.0 49.4 -69.7 -41.7 5.7 0.4 21.1 93 94 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.9 47.4 -63.2 -43.1 9.3 -0.7 22.1 94 95 A E H X S+ 0 0 82 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.903 111.9 49.4 -65.5 -38.4 9.6 -2.6 18.9 95 96 A K H >X S+ 0 0 47 -4,-2.2 3,-0.6 -5,-0.2 4,-0.5 0.951 112.6 48.9 -62.4 -46.6 8.3 0.3 16.8 96 97 A F H 3X S+ 0 0 48 -4,-2.6 4,-0.7 1,-0.2 3,-0.3 0.837 105.7 58.7 -57.7 -39.1 10.8 2.6 18.6 97 98 A A H >X S+ 0 0 1 -4,-2.1 4,-2.7 -5,-0.2 3,-0.6 0.850 85.5 79.9 -64.1 -32.5 13.6 0.2 18.0 98 99 A V H S+ 0 0 40 -4,-0.7 5,-1.8 -3,-0.6 -1,-0.2 0.928 110.0 49.4 -74.7 -36.3 17.8 2.8 16.3 101 102 A I H ><5S+ 0 0 81 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.955 107.8 54.4 -64.7 -45.3 18.5 -0.6 14.5 102 103 A T H 3<5S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.2 50.8 -56.3 -33.2 18.8 1.3 11.2 103 104 A R T 3<5S- 0 0 107 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.413 114.1-118.9 -85.1 0.5 21.4 3.5 12.9 104 105 A K T < 5 + 0 0 167 -3,-2.3 2,-0.7 1,-0.3 -3,-0.2 0.921 55.4 158.9 58.8 47.5 23.4 0.5 14.1 105 106 A I < - 0 0 20 -5,-1.8 -1,-0.3 4,-0.0 2,-0.1 -0.916 29.8-150.3 -96.7 113.5 23.0 1.4 17.7 106 107 A S > - 0 0 52 -2,-0.7 4,-2.5 39,-0.1 5,-0.2 -0.428 26.9-103.9 -78.9 171.2 23.6 -1.9 19.5 107 108 A A H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 35,-0.1 0.847 124.2 52.4 -61.6 -35.9 22.1 -2.9 22.8 108 109 A A H 4 S+ 0 0 78 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.862 110.0 47.4 -70.0 -34.7 25.4 -2.1 24.5 109 110 A E H >4 S+ 0 0 40 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.887 111.2 51.0 -71.9 -40.0 25.6 1.4 22.9 110 111 A F H >< S+ 0 0 33 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.896 99.6 65.7 -62.8 -38.4 22.0 2.1 24.0 111 112 A G G >< S+ 0 0 14 -4,-1.7 3,-1.6 1,-0.3 4,-0.3 0.641 79.3 82.2 -61.4 -13.0 22.8 1.0 27.5 112 113 A K G X S+ 0 0 52 -3,-1.2 3,-1.0 1,-0.3 -1,-0.3 0.797 77.1 71.4 -64.4 -22.0 25.2 4.0 27.8 113 114 A I G <> S+ 0 0 27 -3,-2.1 4,-2.4 -4,-0.2 -1,-0.3 0.739 78.1 79.3 -65.5 -18.2 22.1 6.1 28.6 114 115 A N H <> S+ 0 0 45 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.848 89.7 51.6 -62.2 -34.4 21.9 4.4 32.1 115 116 A G H <> S+ 0 0 32 -3,-1.0 4,-2.4 -4,-0.3 -1,-0.2 0.967 110.8 47.2 -67.4 -54.0 24.6 6.6 33.6 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.894 112.8 50.5 -45.9 -46.5 22.9 9.9 32.4 117 118 A I H X S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.958 110.0 49.2 -62.9 -49.3 19.6 8.7 33.8 118 119 A K H X S+ 0 0 81 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.905 112.7 48.8 -55.4 -42.8 21.1 7.8 37.2 119 120 A K H X S+ 0 0 106 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 112.6 45.4 -68.9 -41.1 22.8 11.2 37.4 120 121 A V H X S+ 0 0 8 -4,-2.5 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