==== 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 24-JUN-98 4HBI . 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) . 13702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 87.9 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 58.6 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 2 0 0 0 0 2 0 0 0 2 3 0 3 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 94 0, 0.0 4,-2.2 0, 0.0 143,-0.1 0.000 360.0 360.0 360.0 162.9 13.9 -11.5 24.1 2 3 A V H > + 0 0 8 141,-0.4 4,-2.7 2,-0.2 5,-0.2 0.828 360.0 54.8 -68.0 -30.0 11.7 -8.5 24.5 3 4 A Y H > S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.948 113.1 45.0 -69.7 -41.4 8.5 -10.3 25.8 4 5 A D H 4 S+ 0 0 103 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.898 112.9 49.9 -65.0 -41.2 10.7 -11.9 28.5 5 6 A A H >< S+ 0 0 16 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.911 106.8 55.2 -66.7 -38.9 12.4 -8.5 29.3 6 7 A A H >< S+ 0 0 9 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.886 99.5 63.1 -60.7 -34.7 9.0 -6.8 29.6 7 8 A A T 3< S+ 0 0 69 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 87.7 70.2 -65.5 -14.5 8.0 -9.4 32.2 8 9 A Q T < S+ 0 0 105 -3,-1.6 2,-1.7 -4,-0.4 -1,-0.3 0.579 72.6 97.2 -79.1 -6.6 10.8 -8.2 34.6 9 10 A L < + 0 0 11 -3,-1.8 2,-0.1 -4,-0.2 -1,-0.1 -0.674 63.0 179.9 -85.0 88.8 8.8 -5.0 35.1 10 11 A T > - 0 0 77 -2,-1.7 4,-2.7 1,-0.0 3,-0.2 -0.364 43.4 -88.0 -80.8 172.4 7.2 -6.1 38.3 11 12 A A H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.878 126.3 45.0 -51.6 -49.9 4.7 -4.1 40.4 12 13 A D H > S+ 0 0 125 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 112.3 52.2 -68.4 -33.1 7.3 -2.2 42.5 13 14 A V H > S+ 0 0 15 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.957 111.0 48.0 -66.3 -47.0 9.4 -1.5 39.5 14 15 A K H X S+ 0 0 56 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.927 112.4 49.0 -57.3 -45.8 6.4 -0.0 37.7 15 16 A K H X S+ 0 0 114 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.931 111.4 48.3 -63.1 -44.6 5.5 2.1 40.7 16 17 A D H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.864 110.0 54.0 -65.2 -32.3 9.0 3.4 41.1 17 18 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.947 112.5 42.7 -65.2 -46.5 9.1 4.3 37.4 18 19 A R H X S+ 0 0 80 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 112.5 52.7 -66.7 -44.0 5.8 6.3 37.7 19 20 A D H X S+ 0 0 57 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.886 115.5 39.9 -62.4 -38.7 6.8 8.0 41.0 20 21 A S H >X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 3,-1.0 0.908 112.2 55.8 -78.0 -37.7 10.2 9.2 39.5 21 22 A W H 3X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.3 5,-0.3 0.864 95.7 67.3 -61.5 -34.3 8.7 10.1 36.1 22 23 A K H 3< S+ 0 0 161 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.882 113.6 30.9 -53.5 -36.0 6.1 12.4 37.9 23 24 A V H X< S+ 0 0 60 -3,-1.0 3,-1.2 -4,-0.6 4,-0.5 0.936 124.5 43.7 -87.4 -50.2 9.1 14.6 38.8 24 25 A I H >< S+ 0 0 11 -4,-2.7 3,-1.2 1,-0.3 7,-0.2 0.927 112.8 52.0 -61.5 -44.7 11.5 14.0 35.8 25 26 A G T 3< S+ 0 0 8 -4,-2.5 3,-0.5 -5,-0.3 -1,-0.3 0.550 89.6 81.3 -72.1 -6.8 8.7 14.3 33.2 26 27 A S T < S+ 0 0 99 -3,-1.2 2,-0.4 1,-0.3 -1,-0.3 0.835 101.8 33.5 -68.9 -31.0 7.5 17.6 34.6 27 28 A D <> + 0 0 84 -3,-1.2 4,-2.6 -4,-0.5 5,-0.4 -0.733 68.8 168.3-128.0 85.5 10.3 19.5 32.7 28 29 A K H > S+ 0 0 35 -3,-0.5 4,-2.1 -2,-0.4 5,-0.3 0.911 77.6 46.3 -65.5 -40.9 10.8 17.7 29.5 29 30 A K H > S+ 0 0 64 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.980 117.2 42.4 -66.4 -53.8 13.0 20.4 27.9 30 31 A G H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.904 121.9 37.9 -61.8 -46.5 15.2 20.9 30.9 31 32 A N H X S+ 0 0 11 -4,-2.6 4,-2.2 -7,-0.2 -1,-0.2 0.860 114.8 53.8 -80.1 -30.0 15.7 17.3 31.8 32 33 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.927 112.0 45.0 -64.9 -45.1 15.9 16.0 28.3 33 34 A V H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.921 112.7 51.4 -67.1 -39.2 18.7 18.4 27.4 34 35 A A H X S+ 0 0 34 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.897 108.5 53.1 -63.5 -36.9 20.5 17.6 30.7 35 36 A L H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.947 111.7 44.4 -60.0 -50.6 20.2 13.9 29.8 36 37 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 112.3 49.0 -66.4 -44.3 21.8 14.4 26.4 37 38 A T H X S+ 0 0 49 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 110.6 52.1 -69.6 -28.9 24.7 16.7 27.5 38 39 A T H X S+ 0 0 29 -4,-2.0 4,-2.8 -5,-0.2 5,-0.3 0.905 109.1 51.0 -68.8 -38.1 25.5 14.2 30.3 39 40 A L H X S+ 0 0 13 -4,-2.0 4,-2.5 1,-0.2 7,-0.2 0.959 113.6 44.6 -60.8 -46.1 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 0.884 115.5 47.6 -67.6 -36.4 28.0 13.5 25.6 41 42 A A H < S+ 0 0 64 -4,-2.5 3,-0.5 -5,-0.2 -2,-0.2 0.941 120.5 35.4 -67.8 -47.6 30.1 14.5 28.5 42 43 A D H < S+ 0 0 71 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.765 131.2 30.0 -80.3 -27.0 30.5 11.1 30.0 43 44 A N >< + 0 0 38 -4,-2.5 3,-2.5 -5,-0.3 4,-0.3 -0.534 64.7 170.5-137.0 71.2 30.7 9.2 26.7 44 45 A Q G > S+ 0 0 125 -3,-0.5 3,-1.4 1,-0.3 4,-0.4 0.758 71.8 72.4 -54.2 -28.0 32.2 11.5 24.1 45 46 A E G > S+ 0 0 106 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.684 86.8 64.8 -64.7 -16.1 32.5 8.6 21.6 46 47 A T G X> S+ 0 0 6 -3,-2.5 3,-1.7 -7,-0.2 4,-0.5 0.714 78.9 82.2 -81.2 -17.0 28.6 8.7 21.1 47 48 A I G X4 S+ 0 0 44 -3,-1.4 3,-1.6 -4,-0.3 -1,-0.2 0.840 77.1 71.2 -56.1 -32.7 28.7 12.2 19.6 48 49 A G G X4 S+ 0 0 37 -3,-0.5 3,-0.9 -4,-0.4 -1,-0.3 0.845 93.4 55.5 -53.6 -33.4 29.7 10.6 16.2 49 50 A Y G <4 S+ 0 0 105 -3,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.781 105.9 53.4 -70.8 -20.9 26.1 9.2 15.9 50 51 A F G X< + 0 0 47 -3,-1.6 3,-2.0 -4,-0.5 4,-0.4 0.021 63.0 129.4-107.3 28.6 24.7 12.8 16.4 51 52 A K G X + 0 0 164 -3,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.836 68.9 63.4 -50.9 -37.1 26.6 14.6 13.6 52 53 A R G 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.761 91.2 66.0 -63.9 -24.0 23.3 16.1 12.3 53 54 A L G < S- 0 0 6 -3,-2.0 12,-0.4 1,-0.2 -1,-0.3 0.648 93.3-153.1 -75.1 -10.4 22.7 17.9 15.6 54 55 A G < + 0 0 50 -3,-1.7 2,-1.5 -4,-0.4 -1,-0.2 -0.534 62.3 15.3 77.6-141.1 25.7 20.1 14.9 55 56 A D > - 0 0 91 -2,-0.2 3,-1.7 1,-0.2 4,-0.2 -0.515 62.8-175.3 -81.1 95.6 27.6 21.6 17.9 56 57 A V G > S+ 0 0 13 -2,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.660 72.2 73.7 -63.7 -18.7 26.4 19.7 20.8 57 58 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.591 81.1 73.6 -74.8 -10.1 28.3 21.8 23.4 58 59 A Q G X S- 0 0 106 -3,-1.7 3,-1.8 1,-0.2 -1,-0.3 0.689 78.1-179.2 -75.0 -15.2 25.8 24.6 22.9 59 60 A G G X + 0 0 10 -3,-1.3 3,-2.4 1,-0.3 7,-0.3 -0.295 67.3 10.2 57.1-128.5 23.2 22.6 24.9 60 61 A M G 3 S+ 0 0 83 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.685 125.5 62.4 -52.3 -31.7 19.9 24.5 25.1 61 62 A A G < S+ 0 0 74 -3,-1.8 2,-0.9 4,-0.0 -1,-0.3 0.586 83.5 87.3 -75.0 -12.8 21.0 27.1 22.5 62 63 A N <> - 0 0 20 -3,-2.4 4,-2.7 1,-0.2 5,-0.2 -0.827 67.5-160.3 -90.7 111.3 21.4 24.4 19.8 63 64 A D H > S+ 0 0 80 -2,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.860 88.3 50.7 -59.5 -39.5 17.9 24.2 18.4 64 65 A K H > S+ 0 0 98 -11,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 112.6 45.9 -69.6 -41.4 18.4 20.8 16.8 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.938 113.4 50.0 -64.0 -44.3 19.7 19.4 20.1 66 67 A R H X S+ 0 0 18 -4,-2.7 4,-2.2 -7,-0.3 -2,-0.2 0.920 111.0 49.4 -62.2 -42.1 16.8 21.0 22.0 67 68 A G H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.930 112.7 47.3 -62.0 -44.9 14.3 19.5 19.5 68 69 A H H X S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.936 111.1 51.3 -62.2 -47.1 15.8 16.0 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.892 110.1 48.1 -59.2 -41.8 15.9 16.2 23.6 70 71 A I H X S+ 0 0 1 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.948 113.3 48.1 -64.4 -46.1 12.2 17.2 23.9 71 72 A I H X S+ 0 0 45 -4,-2.1 4,-1.2 1,-0.2 3,-0.5 0.884 106.2 57.6 -63.9 -39.0 11.2 14.4 21.5 72 73 A L H >X S+ 0 0 40 -4,-2.7 4,-1.7 1,-0.2 3,-0.7 0.918 103.3 54.7 -56.2 -42.7 13.3 11.9 23.4 73 74 A M H 3X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.816 102.2 55.8 -66.3 -28.7 11.3 12.7 26.6 74 75 A Y H 3X S+ 0 0 13 -4,-1.2 4,-2.0 -3,-0.5 -1,-0.3 0.799 103.3 55.5 -73.7 -23.8 7.9 11.9 24.8 75 76 A A H < S+ 0 0 8 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.912 111.2 50.4 -57.2 -43.7 6.8 3.9 27.6 80 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.3 4,-0.2 0.926 108.7 52.5 -61.5 -42.7 5.6 4.9 31.1 81 82 A D H 3< S+ 0 0 60 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.736 107.1 53.2 -66.8 -20.5 2.0 5.2 29.8 82 83 A Q T X< S+ 0 0 17 -4,-1.3 3,-1.1 -3,-0.7 7,-0.6 0.402 76.3 100.3 -94.9 4.9 2.2 1.6 28.4 83 84 A L T < S+ 0 0 2 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.1 0.786 76.0 60.9 -63.2 -27.0 3.3 0.0 31.6 84 85 A D T 3 S+ 0 0 122 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.832 108.3 42.7 -64.5 -34.7 -0.3 -1.2 32.3 85 86 A N X> - 0 0 54 -3,-1.1 4,-2.4 1,-0.1 3,-0.7 -0.863 63.5-167.4-123.4 101.5 -0.4 -3.3 29.1 86 87 A P H 3> S+ 0 0 66 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.824 90.2 58.3 -53.6 -35.9 2.7 -5.4 28.3 87 88 A D H 3> S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.915 110.8 41.5 -64.1 -38.9 1.4 -6.1 24.8 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.891 112.8 54.3 -75.7 -37.0 1.2 -2.4 24.0 89 90 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 -7,-0.6 -2,-0.2 0.947 111.2 46.2 -58.7 -48.2 4.6 -1.8 25.7 90 91 A V H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.934 111.9 48.6 -63.4 -45.9 6.3 -4.4 23.6 91 92 A C H X S+ 0 0 6 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.884 114.5 47.2 -68.4 -29.7 4.7 -3.3 20.2 92 93 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.917 112.0 49.7 -73.7 -41.5 5.8 0.4 21.1 93 94 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.959 112.2 47.7 -61.2 -47.7 9.4 -0.7 22.1 94 95 A E H X S+ 0 0 76 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.908 112.1 49.5 -62.1 -38.2 9.8 -2.8 18.9 95 96 A K H >X S+ 0 0 49 -4,-1.7 3,-0.6 -5,-0.3 4,-0.5 0.936 112.5 47.8 -63.2 -46.8 8.5 0.1 16.7 96 97 A F H 3X S+ 0 0 42 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.834 106.1 59.6 -59.0 -39.1 10.9 2.5 18.5 97 98 A A H 3X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.2 3,-0.5 0.838 85.9 79.1 -64.0 -30.1 13.8 0.1 18.0 98 99 A V H S+ 0 0 42 -4,-0.8 5,-2.3 -3,-0.5 -1,-0.2 0.902 109.8 49.1 -74.3 -36.1 17.9 2.6 16.2 101 102 A I H ><5S+ 0 0 80 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.933 108.2 54.4 -65.4 -43.5 18.7 -0.7 14.5 102 103 A T H 3<5S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.879 108.7 49.1 -59.1 -35.0 18.9 1.1 11.2 103 104 A R T 3<5S- 0 0 112 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.389 116.2-116.9 -82.6 2.8 21.6 3.4 12.8 104 105 A K T < 5 + 0 0 171 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.895 55.4 160.6 59.6 44.2 23.5 0.4 14.2 105 106 A I < - 0 0 20 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.872 27.5-153.1 -92.2 114.0 23.0 1.4 17.8 106 107 A S > - 0 0 51 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.356 28.7-103.2 -83.2 173.1 23.6 -1.9 19.6 107 108 A A H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.918 125.1 51.8 -59.7 -41.1 22.2 -2.9 23.0 108 109 A A H 4 S+ 0 0 77 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.831 110.5 47.5 -65.1 -35.3 25.6 -2.1 24.6 109 110 A E H >4 S+ 0 0 38 2,-0.2 3,-1.4 1,-0.2 4,-0.2 0.935 112.4 48.6 -70.6 -46.1 25.6 1.4 22.9 110 111 A F H >< S+ 0 0 36 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.904 100.9 65.8 -60.6 -41.3 22.0 2.0 24.1 111 112 A G G >< S+ 0 0 16 -4,-2.6 3,-1.7 1,-0.3 4,-0.4 0.689 80.7 80.1 -57.0 -17.7 22.9 0.9 27.6 112 113 A K G X S+ 0 0 58 -3,-1.4 3,-0.6 -4,-0.4 -1,-0.3 0.750 78.0 71.8 -65.6 -16.2 25.2 4.0 27.9 113 114 A I G <> S+ 0 0 27 -3,-2.3 4,-2.5 -4,-0.2 -1,-0.3 0.752 79.5 76.7 -69.1 -20.2 22.1 6.1 28.6 114 115 A N H <> S+ 0 0 41 -3,-1.7 4,-2.8 -4,-0.2 -1,-0.2 0.890 90.1 53.0 -58.9 -40.4 21.8 4.4 32.1 115 116 A G H <> S+ 0 0 32 -3,-0.6 4,-2.3 -4,-0.4 -1,-0.2 0.957 110.7 46.0 -61.9 -54.6 24.6 6.6 33.5 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.906 113.2 51.1 -47.6 -47.4 23.0 9.9 32.4 117 118 A I H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.955 108.4 50.7 -60.8 -48.1 19.6 8.6 33.8 118 119 A K H X S+ 0 0 87 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.913 112.3 48.4 -56.1 -41.8 21.1 7.7 37.2 119 120 A K H X S+ 0 0 105 -4,-2.3 4,-2.1 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