==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 11-DEC-99 1DWS . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR K.CHU,J.VOJTECHOVSKY,B.H.MCMAHON,R.M.SWEET,J.BERENDZEN, . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 80.9 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 1 0 0 0 0 0 0 1 0 1 1 0 2 0 0 0 0 0 0 1 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 1 A G 0 0 98 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0-140.9 -3.1 16.3 15.4 2 2 A L - 0 0 25 77,-0.1 2,-0.0 132,-0.0 128,-0.0 -0.886 360.0-120.0-115.7 149.5 -0.7 14.5 17.7 3 3 A S > - 0 0 59 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.280 31.1-106.2 -78.1 171.1 -1.4 12.9 21.1 4 4 A D H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.920 123.7 53.9 -64.2 -40.5 0.3 14.0 24.3 5 5 A G H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 109.3 48.0 -59.4 -41.7 2.4 10.9 24.1 6 6 A E H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 109.1 51.7 -68.0 -40.7 3.5 11.7 20.6 7 7 A W H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.884 108.2 53.7 -63.1 -36.0 4.4 15.3 21.5 8 8 A Q H X S+ 0 0 146 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.916 109.0 47.9 -63.9 -42.9 6.5 14.0 24.3 9 9 A Q H X S+ 0 0 49 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.935 111.3 51.7 -63.5 -43.1 8.3 11.7 21.9 10 10 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.933 113.0 42.7 -58.3 -51.6 8.9 14.6 19.5 11 11 A L H X S+ 0 0 61 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.725 111.7 56.3 -70.4 -19.5 10.3 16.9 22.2 12 12 A N H >< S+ 0 0 106 -4,-1.5 3,-0.9 -5,-0.2 4,-0.4 0.935 108.8 46.3 -75.2 -44.1 12.4 14.0 23.5 13 13 A V H >X S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 4,-0.9 0.856 104.9 62.4 -63.2 -35.8 13.9 13.5 20.1 14 14 A W H 3X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.749 87.4 72.0 -64.4 -23.1 14.5 17.3 19.8 15 15 A G H S+ 0 0 40 -3,-1.5 3,-0.6 -4,-0.4 4,-0.6 0.917 108.7 46.8 -67.0 -47.4 19.3 15.3 20.6 17 17 A V H >< S+ 0 0 4 -4,-0.9 3,-1.5 1,-0.2 7,-0.3 0.925 108.5 56.0 -60.9 -44.0 19.2 18.2 18.1 18 18 A E H 3< S+ 0 0 99 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.686 95.8 65.0 -64.8 -19.7 19.6 20.8 20.9 19 19 A A H << S+ 0 0 89 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.761 127.6 8.1 -73.1 -24.6 22.8 19.1 22.1 20 20 A D S S+ 0 0 45 -3,-0.5 4,-2.6 1,-0.2 5,-0.1 0.871 77.9 49.2 -63.0 -40.1 22.1 22.4 16.8 22 22 A A H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.861 112.6 49.0 -68.6 -36.0 24.7 23.7 14.4 23 23 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.934 115.5 41.7 -68.5 -47.8 25.9 20.2 13.6 24 24 A H H X S+ 0 0 5 -4,-2.4 4,-2.3 -7,-0.3 -2,-0.2 0.914 116.3 51.5 -64.8 -40.6 22.4 18.8 13.0 25 25 A G H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.913 109.9 48.4 -62.0 -45.1 21.5 22.0 11.1 26 26 A Q H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.929 113.1 46.7 -61.5 -48.8 24.6 21.7 8.9 27 27 A E H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.850 109.4 54.4 -64.9 -34.9 24.0 18.1 8.0 28 28 A V H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.944 112.3 44.0 -64.4 -45.7 20.3 18.7 7.3 29 29 A L H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 113.5 49.8 -65.0 -44.4 21.2 21.4 4.8 30 30 A I H X S+ 0 0 13 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.896 110.3 50.8 -61.4 -40.2 24.0 19.4 3.2 31 31 A R H X S+ 0 0 107 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.904 112.1 48.5 -63.3 -40.0 21.6 16.4 2.9 32 32 A L H X S+ 0 0 11 -4,-2.0 4,-2.1 -5,-0.2 7,-0.3 0.933 115.5 42.7 -64.9 -49.0 19.1 18.7 1.2 33 33 A F H < S+ 0 0 3 -4,-2.7 7,-0.2 2,-0.2 -2,-0.2 0.879 117.3 44.5 -67.1 -43.4 21.6 20.2 -1.2 34 34 A T H < S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.888 119.1 42.5 -71.8 -38.0 23.4 17.0 -2.2 35 35 A G H < S+ 0 0 42 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.830 131.0 23.6 -76.9 -31.8 20.1 15.0 -2.6 36 36 A H >< - 0 0 56 -4,-2.1 3,-2.2 -5,-0.2 4,-0.5 -0.656 67.1-177.8-137.6 80.2 18.3 17.8 -4.4 37 37 A P G >> S+ 0 0 82 0, 0.0 4,-0.7 0, 0.0 3,-0.7 0.699 78.3 69.2 -50.3 -27.4 20.7 20.2 -6.1 38 38 A E G >4 S+ 0 0 83 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.837 89.9 63.6 -64.6 -29.2 17.9 22.5 -7.4 39 39 A T G X4 S+ 0 0 2 -3,-2.2 3,-1.5 -7,-0.3 4,-0.3 0.854 93.5 62.4 -62.6 -32.6 17.3 23.5 -3.8 40 40 A L G X4 S+ 0 0 15 -3,-0.7 3,-1.8 -4,-0.5 6,-0.3 0.850 92.9 63.7 -61.2 -35.7 20.8 25.1 -3.7 41 41 A E G << S+ 0 0 104 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.652 90.2 66.7 -65.0 -15.9 19.7 27.5 -6.5 42 42 A K G < S+ 0 0 84 -3,-1.5 2,-0.8 -4,-0.4 -1,-0.3 0.658 90.8 72.9 -78.8 -14.3 17.2 29.0 -4.1 43 43 A F X> - 0 0 45 -3,-1.8 3,-1.9 -4,-0.3 4,-1.3 -0.844 59.2-173.0-105.5 101.0 20.0 30.3 -2.0 44 44 A D T 34 S+ 0 0 136 -2,-0.8 4,-0.2 1,-0.3 -1,-0.2 0.739 90.6 52.7 -61.8 -20.5 21.9 33.2 -3.6 45 45 A K T 34 S+ 0 0 97 1,-0.1 -1,-0.3 2,-0.1 15,-0.1 0.434 114.1 38.5 -96.3 0.7 24.4 32.9 -0.7 46 46 A F T X4 S+ 0 0 0 -3,-1.9 3,-2.0 -6,-0.3 -2,-0.2 0.402 84.7 95.5-126.1 -2.6 25.1 29.2 -1.1 47 47 A K T 3< S+ 0 0 78 -4,-1.3 -3,-0.1 1,-0.3 -2,-0.1 0.801 76.1 67.3 -59.0 -31.0 25.1 28.8 -4.9 48 48 A H T 3 S+ 0 0 118 -4,-0.2 2,-1.2 1,-0.1 -1,-0.3 0.593 74.1 104.5 -66.3 -12.9 28.9 29.2 -4.9 49 49 A L < + 0 0 6 -3,-2.0 -1,-0.1 1,-0.2 -3,-0.1 -0.620 40.8 166.8 -75.4 101.0 29.1 25.9 -3.1 50 50 A K + 0 0 165 -2,-1.2 2,-0.3 1,-0.0 -1,-0.2 0.757 59.5 31.3 -87.1 -25.2 30.3 23.6 -5.9 51 51 A T S > S- 0 0 63 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.872 76.9-116.3-131.7 164.6 31.3 20.5 -3.7 52 52 A E H > S+ 0 0 117 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.834 116.2 59.1 -67.7 -32.3 30.2 18.8 -0.5 53 53 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 106.6 47.0 -60.4 -46.4 33.7 19.6 0.9 54 54 A E H > S+ 0 0 84 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.888 112.7 51.1 -61.9 -38.1 33.0 23.3 0.3 55 55 A M H >< S+ 0 0 12 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.967 111.4 45.0 -61.5 -54.2 29.6 22.8 1.9 56 56 A K H 3< S+ 0 0 114 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 114.0 51.9 -61.3 -27.9 31.0 21.1 5.0 57 57 A A H 3< S+ 0 0 71 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.496 84.7 107.6 -88.7 -4.3 33.7 23.8 5.2 58 58 A S S+ 0 0 137 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.828 89.2 54.6 -72.4 -30.9 30.7 28.5 8.4 60 60 A D H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.788 104.1 54.1 -73.2 -28.9 27.8 30.5 7.0 61 61 A L H > S+ 0 0 0 2,-0.2 4,-1.8 -6,-0.2 -1,-0.2 0.875 109.5 48.1 -71.2 -36.9 26.0 27.2 6.0 62 62 A K H X S+ 0 0 77 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.896 110.9 52.8 -66.9 -39.3 26.4 26.0 9.6 63 63 A K H X S+ 0 0 131 -4,-1.9 4,-2.0 1,-0.2 3,-0.2 0.932 110.2 45.4 -61.2 -49.4 25.1 29.4 10.8 64 64 A H H X S+ 0 0 45 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.847 107.1 60.7 -66.3 -29.5 22.0 29.2 8.6 65 65 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.902 106.0 46.7 -62.2 -40.2 21.6 25.6 9.8 66 66 A T H X S+ 0 0 43 -4,-1.7 4,-2.2 -3,-0.2 5,-0.2 0.898 111.3 51.3 -67.5 -41.1 21.3 27.0 13.3 67 67 A V H X S+ 0 0 83 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.929 112.9 46.4 -61.7 -45.0 18.8 29.6 12.2 68 68 A V H X S+ 0 0 41 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.953 116.4 41.2 -64.3 -52.6 16.6 27.0 10.5 69 69 A L H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.833 111.2 56.5 -68.2 -32.5 16.5 24.4 13.3 70 70 A T H X S+ 0 0 80 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.918 109.8 47.0 -63.3 -41.9 16.1 27.1 16.0 71 71 A A H X S+ 0 0 38 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.935 113.6 47.0 -64.2 -47.6 13.0 28.3 14.2 72 72 A L H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.878 110.3 54.2 -62.5 -38.2 11.7 24.7 13.7 73 73 A G H X S+ 0 0 4 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.887 106.0 50.9 -64.2 -40.6 12.4 24.0 17.4 74 74 A G H < S+ 0 0 37 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.879 111.6 48.9 -64.2 -37.6 10.4 26.9 18.6 75 75 A I H >< S+ 0 0 2 -4,-1.7 3,-1.7 1,-0.2 5,-0.5 0.947 109.4 50.7 -67.6 -46.6 7.5 25.8 16.5 76 76 A L H >< S+ 0 0 4 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.864 102.5 61.1 -59.9 -37.7 7.6 22.2 17.7 77 77 A K T 3< S+ 0 0 103 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.600 93.7 64.5 -67.2 -10.7 7.6 23.3 21.3 78 78 A K T X S- 0 0 90 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.3 0.608 97.9-143.5 -85.0 -12.9 4.2 25.0 20.7 79 79 A K T < S- 0 0 93 -3,-1.9 -77,-0.1 -4,-0.3 -3,-0.1 0.897 72.9 -34.3 51.5 49.8 2.8 21.5 20.1 80 80 A G T 3 S+ 0 0 27 -5,-0.5 2,-1.7 1,-0.1 -1,-0.3 -0.001 118.9 100.1 100.2 -32.7 0.4 22.5 17.3 81 81 A H < + 0 0 151 -3,-1.7 3,-0.1 1,-0.2 4,-0.1 -0.423 48.3 120.5 -86.0 64.1 -0.5 26.0 18.7 82 82 A H > + 0 0 7 -2,-1.7 4,-3.2 1,-0.1 5,-0.3 0.068 18.2 120.5-116.8 21.3 2.0 27.6 16.3 83 83 A E H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.931 80.3 47.1 -51.6 -52.0 -0.1 30.0 14.1 84 84 A A H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.852 118.9 40.8 -59.7 -38.5 1.8 33.1 15.1 85 85 A E H > S+ 0 0 72 2,-0.1 4,-0.7 -3,-0.1 -1,-0.2 0.874 119.3 44.3 -78.6 -38.0 5.2 31.4 14.6 86 86 A L H X S+ 0 0 1 -4,-3.2 4,-2.6 2,-0.1 3,-0.4 0.903 100.3 64.7 -76.6 -44.3 4.3 29.6 11.4 87 87 A K H X S+ 0 0 83 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.912 102.9 46.5 -47.2 -58.0 2.4 32.3 9.4 88 88 A P H > S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.838 113.8 50.1 -58.0 -33.2 5.3 34.7 8.9 89 89 A L H X S+ 0 0 52 -4,-0.7 4,-2.3 -3,-0.4 5,-0.2 0.931 109.8 49.5 -70.3 -44.7 7.6 31.8 7.8 90 90 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.927 113.1 48.8 -59.6 -42.4 5.1 30.5 5.3 91 91 A Q H X>S+ 0 0 66 -4,-2.5 4,-3.0 -5,-0.2 5,-0.6 0.897 111.8 45.4 -68.3 -40.3 4.7 33.9 3.8 92 92 A S H X>S+ 0 0 37 -4,-2.0 5,-3.0 3,-0.2 4,-0.9 0.877 114.6 49.9 -71.6 -34.8 8.4 34.7 3.5 93 93 A H H <5S+ 0 0 57 -4,-2.3 6,-3.5 3,-0.2 -2,-0.2 0.832 119.4 36.4 -72.8 -29.3 9.1 31.3 2.0 94 94 A A H <5S+ 0 0 2 -4,-1.9 -2,-0.2 4,-0.2 4,-0.2 0.925 131.0 28.1 -85.7 -48.3 6.3 31.6 -0.5 95 95 A T H <5S+ 0 0 83 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.932 133.5 23.7 -83.0 -48.2 6.6 35.4 -1.3 96 96 A K T <> - 0 0 30 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.272 22.4-114.9 -62.6 150.8 7.8 25.2 -3.3 101 101 A I H 3> S+ 0 0 57 1,-0.3 4,-1.2 2,-0.2 3,-0.2 0.754 113.4 71.2 -56.6 -23.4 6.1 23.0 -0.8 102 102 A K H 3> S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.876 94.6 52.1 -60.3 -40.5 8.0 20.1 -2.4 103 103 A Y H <> S+ 0 0 41 -3,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.826 103.5 56.4 -67.8 -32.3 11.2 21.4 -0.9 104 104 A L H X S+ 0 0 18 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.796 107.0 51.4 -68.2 -26.7 9.7 21.5 2.5 105 105 A E H X S+ 0 0 65 -4,-1.2 4,-2.2 -3,-0.2 -2,-0.2 0.924 108.6 51.0 -72.4 -45.1 9.0 17.8 1.9 106 106 A F H X S+ 0 0 25 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.938 110.9 47.3 -56.5 -50.5 12.6 17.2 1.0 107 107 A I H X S+ 0 0 27 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.841 108.6 55.5 -64.1 -32.2 13.9 18.9 4.2 108 108 A S H X S+ 0 0 2 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.931 111.2 43.3 -64.7 -45.9 11.5 17.0 6.3 109 109 A D H X S+ 0 0 92 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.843 110.5 57.6 -67.3 -33.8 12.8 13.7 5.0 110 110 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.837 103.8 52.5 -65.1 -34.0 16.3 15.1 5.3 111 111 A I H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 110.2 47.4 -68.0 -41.8 15.7 15.7 9.1 112 112 A I H X S+ 0 0 21 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.900 112.5 50.8 -66.0 -38.7 14.6 12.0 9.5 113 113 A H H X S+ 0 0 77 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 110.4 47.7 -63.4 -49.5 17.7 10.9 7.5 114 114 A V H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.863 107.9 55.5 -61.5 -38.6 20.1 13.0 9.7 115 115 A L H X S+ 0 0 4 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.904 112.1 42.7 -62.6 -41.2 18.5 11.7 13.0 116 116 A H H < S+ 0 0 69 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.886 115.4 50.5 -70.5 -39.6 19.1 8.1 12.0 117 117 A S H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 118.5 36.3 -65.8 -43.6 22.6 8.9 10.6 118 118 A K H < S+ 0 0 64 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.685 130.4 32.5 -83.7 -18.7 23.7 10.7 13.8 119 119 A H S >< S- 0 0 38 -4,-1.4 3,-2.3 -5,-0.3 -1,-0.2 -0.292 77.9-176.8-135.6 55.9 21.9 8.4 16.2 120 120 A P T 3 S+ 0 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