==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 02-SEP-05 2AWY . COMPND 2 MOLECULE: HEMERYTHRIN-LIKE DOMAIN PROTEIN DCRH; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR C.E.ISAZA,R.SILAGHI-DUMITRESCU,R.B.IYER,D.M.KURTZ,M.K.CHAN . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 83.8 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.5 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 0 2 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 4 A D 0 0 130 0, 0.0 2,-0.4 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 -96.0 38.5 21.7 3.3 2 5 A V + 0 0 69 1,-0.1 3,-0.1 29,-0.1 26,-0.1 -0.926 360.0 175.3-113.3 132.3 35.7 24.2 3.3 3 6 A L S S+ 0 0 59 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.826 78.8 26.9 -96.5 -45.0 32.0 23.3 2.9 4 7 A V - 0 0 18 20,-0.2 2,-0.4 21,-0.0 -1,-0.3 -0.983 69.5-158.9-125.3 125.6 30.5 26.8 3.5 5 8 A K - 0 0 163 -2,-0.4 2,-0.1 -3,-0.1 20,-0.0 -0.844 29.0-111.5-102.4 136.9 32.3 30.0 2.8 6 9 A W - 0 0 57 -2,-0.4 2,-0.3 15,-0.1 15,-0.0 -0.440 36.0-166.3 -68.6 140.4 31.2 33.2 4.6 7 10 A S > - 0 0 59 -2,-0.1 3,-1.6 1,-0.0 4,-0.3 -0.902 35.7-121.3-125.2 154.3 29.6 35.8 2.3 8 11 A E G > S+ 0 0 153 -2,-0.3 3,-0.8 1,-0.3 -1,-0.0 0.642 110.0 77.5 -67.6 -11.2 28.7 39.4 2.8 9 12 A D G 3 S+ 0 0 91 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.818 90.5 51.5 -65.1 -33.4 25.2 38.1 2.0 10 13 A L G < S+ 0 0 10 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.538 83.8 128.8 -82.7 -8.9 25.0 36.7 5.5 11 14 A A < + 0 0 16 -3,-0.8 2,-0.2 -4,-0.3 -3,-0.0 -0.137 20.8 143.8 -53.8 140.0 26.0 40.0 7.2 12 15 A N - 0 0 3 1,-0.4 5,-0.1 112,-0.0 -1,-0.1 -0.505 60.2 -12.9-147.1-146.9 23.8 41.3 10.0 13 16 A L S > S- 0 0 0 -2,-0.2 4,-2.4 1,-0.1 -1,-0.4 -0.299 71.4-114.3 -61.9 148.0 24.6 43.2 13.2 14 17 A P H > S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.894 116.2 45.6 -53.1 -45.2 28.3 43.1 14.0 15 18 A S H > S+ 0 0 21 118,-2.7 4,-0.9 1,-0.2 -2,-0.1 0.818 112.8 52.4 -70.0 -27.2 27.9 41.1 17.2 16 19 A I H > S+ 0 0 0 117,-0.5 4,-2.5 -3,-0.3 5,-0.2 0.866 103.9 57.0 -74.1 -35.2 25.6 38.7 15.3 17 20 A D H X S+ 0 0 22 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.907 100.9 56.5 -60.9 -43.3 28.1 38.2 12.5 18 21 A T H X S+ 0 0 80 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.848 111.5 44.4 -59.4 -33.1 30.8 37.0 15.0 19 22 A Q H X S+ 0 0 28 -4,-0.9 4,-2.2 -3,-0.2 -2,-0.2 0.938 114.0 45.5 -77.7 -49.3 28.4 34.3 16.1 20 23 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 112.0 54.5 -59.4 -41.1 27.1 33.1 12.7 21 24 A K H X S+ 0 0 93 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.842 108.0 50.4 -59.8 -34.6 30.7 33.2 11.5 22 25 A R H X S+ 0 0 118 -4,-0.9 4,-1.8 -5,-0.3 -2,-0.2 0.883 107.9 51.4 -71.7 -38.8 31.5 30.9 14.5 23 26 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 110.4 50.3 -62.8 -39.9 28.6 28.5 13.5 24 27 A V H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -20,-0.2 0.898 106.6 53.8 -65.2 -41.8 30.1 28.4 10.0 25 28 A D H X S+ 0 0 91 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.874 108.8 50.5 -61.3 -35.2 33.5 27.6 11.3 26 29 A Y H X S+ 0 0 53 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.904 107.8 51.5 -69.2 -41.0 32.0 24.7 13.2 27 30 A I H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 112.7 47.0 -60.6 -41.7 30.2 23.4 10.1 28 31 A N H X S+ 0 0 16 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.854 110.3 52.1 -69.0 -33.1 33.6 23.5 8.4 29 32 A D H X S+ 0 0 49 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.906 112.2 46.6 -66.9 -41.0 35.3 21.8 11.3 30 33 A L H X S+ 0 0 1 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.886 110.2 52.0 -67.8 -41.9 32.7 19.0 11.2 31 34 A Y H X S+ 0 0 47 -4,-2.4 4,-2.5 1,-0.2 3,-0.4 0.935 108.5 51.6 -59.9 -46.3 33.0 18.7 7.4 32 35 A R H X S+ 0 0 84 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.869 107.1 52.7 -59.5 -38.3 36.8 18.3 7.6 33 36 A A H <>S+ 0 0 2 -4,-1.5 5,-2.7 2,-0.2 4,-0.3 0.820 109.7 49.5 -67.6 -30.9 36.4 15.6 10.3 34 37 A A H ><5S+ 0 0 4 -4,-1.5 3,-1.1 -3,-0.4 -2,-0.2 0.902 107.9 52.9 -72.7 -42.9 34.0 13.7 7.9 35 38 A R H 3<5S+ 0 0 159 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.880 111.5 47.3 -57.6 -39.0 36.6 14.1 5.0 36 39 A R T 3<5S- 0 0 176 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.546 109.6-126.5 -80.2 -9.2 39.2 12.6 7.4 37 40 A R T < 5 + 0 0 152 -3,-1.1 2,-0.9 -4,-0.3 -3,-0.2 0.860 59.4 146.6 65.1 34.7 36.8 9.8 8.4 38 41 A D >< + 0 0 70 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.835 21.9 177.5-106.4 93.7 37.3 10.6 12.1 39 42 A M H > S+ 0 0 27 -2,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.717 76.8 56.3 -69.1 -25.0 33.9 9.8 13.6 40 43 A D H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 110.3 45.0 -73.2 -40.6 35.0 10.6 17.2 41 44 A K H > S+ 0 0 86 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.901 111.7 54.2 -67.2 -41.2 36.1 14.1 16.2 42 45 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.934 109.6 46.2 -58.3 -49.3 32.8 14.5 14.2 43 46 A R H X S+ 0 0 78 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.882 115.0 48.3 -61.5 -38.7 30.7 13.6 17.2 44 47 A E H X S+ 0 0 130 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.946 114.4 44.1 -66.5 -50.1 32.8 16.0 19.4 45 48 A V H X S+ 0 0 10 -4,-3.5 4,-2.8 1,-0.2 -2,-0.2 0.922 112.1 53.4 -62.2 -44.5 32.6 18.9 16.9 46 49 A F H X S+ 0 0 1 -4,-3.1 4,-3.1 -5,-0.3 -1,-0.2 0.927 106.8 52.6 -57.1 -46.1 28.9 18.3 16.3 47 50 A D H X S+ 0 0 62 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.911 112.2 44.5 -56.6 -45.1 28.2 18.4 20.1 48 51 A A H X S+ 0 0 31 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.882 111.8 52.9 -68.0 -38.6 30.0 21.8 20.3 49 52 A L H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.956 111.9 46.4 -60.4 -49.1 28.3 23.1 17.2 50 53 A K H X S+ 0 0 12 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.954 113.5 48.1 -56.4 -54.4 24.9 22.2 18.7 51 54 A N H X S+ 0 0 70 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.892 112.8 47.7 -55.7 -44.4 25.8 23.7 22.1 52 55 A Y H X S+ 0 0 34 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.900 108.2 55.4 -65.3 -40.6 27.0 26.9 20.5 53 56 A A H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.924 106.6 51.7 -57.1 -44.6 23.9 27.2 18.3 54 57 A V H X S+ 0 0 39 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.876 112.0 45.4 -60.7 -38.8 21.8 27.0 21.5 55 58 A E H X S+ 0 0 138 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.845 111.2 52.9 -74.3 -32.6 23.7 29.8 23.1 56 59 A H H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.951 108.7 49.9 -65.3 -46.6 23.6 31.9 19.9 57 60 A F H X S+ 0 0 7 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.913 109.6 52.1 -55.8 -45.3 19.8 31.4 19.8 58 61 A G H X S+ 0 0 35 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.860 108.0 51.0 -60.6 -38.1 19.7 32.6 23.4 59 62 A Y H X S+ 0 0 73 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 112.6 45.6 -65.2 -46.9 21.7 35.7 22.6 60 63 A E H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.947 112.9 51.1 -60.4 -46.7 19.3 36.6 19.8 61 64 A E H X S+ 0 0 51 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.818 106.4 54.3 -62.2 -28.9 16.4 35.8 22.1 62 65 A R H X S+ 0 0 158 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.902 107.5 50.8 -71.1 -39.2 17.8 38.1 24.8 63 66 A L H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 107.8 53.1 -62.6 -39.7 18.0 40.9 22.2 64 67 A F H <>S+ 0 0 3 -4,-2.0 5,-1.9 2,-0.2 4,-0.2 0.918 113.5 43.8 -60.9 -44.0 14.3 40.2 21.3 65 68 A A H ><5S+ 0 0 72 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.957 113.1 49.5 -65.5 -53.9 13.4 40.6 25.0 66 69 A D H 3<5S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 122.1 33.7 -55.6 -40.7 15.6 43.7 25.7 67 70 A Y T 3<5S- 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.186 104.9-121.0-107.2 21.7 14.2 45.5 22.6 68 71 A A T < 5 - 0 0 76 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.842 34.5-163.8 42.9 50.0 10.6 44.2 22.6 69 72 A Y > < - 0 0 16 -5,-1.9 3,-2.1 -6,-0.2 4,-0.2 -0.481 17.1-137.8 -65.2 119.7 10.9 42.7 19.0 70 73 A P T 3 S+ 0 0 97 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.605 101.2 48.1 -54.4 -18.9 7.3 42.0 17.7 71 74 A E T 3> S+ 0 0 85 1,-0.1 4,-2.3 2,-0.1 5,-0.3 0.146 73.6 113.6-111.2 19.6 8.4 38.7 16.2 72 75 A A H <> S+ 0 0 20 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.905 76.0 53.3 -55.0 -45.0 10.2 37.3 19.3 73 76 A T H > S+ 0 0 113 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.949 112.2 39.6 -56.8 -58.9 7.7 34.6 19.8 74 77 A R H > S+ 0 0 175 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 115.4 51.8 -61.5 -43.9 7.7 33.1 16.3 75 78 A H H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 108.6 52.5 -61.5 -40.1 11.5 33.4 15.9 76 79 A K H X S+ 0 0 107 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.885 107.7 50.4 -61.2 -42.0 11.9 31.6 19.3 77 80 A E H X S+ 0 0 54 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.820 107.9 55.0 -66.7 -30.8 9.7 28.7 18.2 78 81 A I H X S+ 0 0 46 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.947 110.5 44.1 -66.7 -47.8 11.8 28.5 15.0 79 82 A H H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 111.3 56.3 -59.6 -45.6 15.0 28.1 17.1 80 83 A R H X S+ 0 0 129 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.855 107.5 46.5 -56.6 -41.5 13.3 25.7 19.4 81 84 A R H X S+ 0 0 155 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.887 108.9 54.5 -71.8 -38.6 12.3 23.3 16.5 82 85 A F H X S+ 0 0 9 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.897 104.7 54.9 -62.0 -39.6 15.8 23.4 15.0 83 86 A V H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.929 107.7 48.8 -59.6 -45.0 17.3 22.3 18.3 84 87 A E H X S+ 0 0 87 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.920 111.6 50.8 -59.4 -43.3 15.1 19.3 18.4 85 88 A T H X S+ 0 0 56 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.924 110.5 48.3 -59.4 -46.2 16.0 18.5 14.9 86 89 A V H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.907 109.0 52.9 -62.6 -42.3 19.7 18.8 15.7 87 90 A L H X S+ 0 0 26 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.881 109.9 50.1 -60.2 -37.3 19.3 16.6 18.8 88 91 A K H >X S+ 0 0 149 -4,-2.1 3,-1.1 1,-0.2 4,-1.0 0.970 109.9 48.4 -64.3 -53.8 17.7 14.0 16.4 89 92 A W H >X S+ 0 0 57 -4,-2.8 4,-0.8 1,-0.3 3,-0.5 0.871 102.5 66.0 -53.3 -38.7 20.6 14.3 13.9 90 93 A E H >< S+ 0 0 49 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.878 97.3 52.9 -52.6 -41.2 22.9 13.8 16.9 91 94 A K H XX S+ 0 0 157 -4,-1.1 3,-1.2 -3,-1.1 4,-0.5 0.863 99.8 61.8 -64.0 -37.6 21.6 10.3 17.5 92 95 A Q H << S+ 0 0 121 -4,-1.0 4,-0.5 -3,-0.5 -1,-0.2 0.715 96.8 62.6 -61.4 -21.5 22.3 9.3 13.9 93 96 A L T << S+ 0 0 3 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.722 84.3 73.3 -78.2 -24.6 26.0 10.0 14.4 94 97 A A T <4 S+ 0 0 74 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.916 118.7 16.3 -56.4 -45.8 26.6 7.3 17.1 95 98 A A S < S+ 0 0 101 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.387 108.3 113.5-107.2 -1.0 26.4 4.5 14.6 96 99 A G - 0 0 12 -4,-0.5 -3,-0.1 -5,-0.2 -57,-0.0 -0.200 52.9-146.1 -73.1 163.4 26.9 6.7 11.6 97 100 A D > - 0 0 73 -59,-0.0 4,-1.8 -58,-0.0 3,-0.4 -0.529 46.0 -77.9-114.7-177.1 29.8 6.7 9.2 98 101 A P H > S+ 0 0 15 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.794 129.7 60.8 -55.5 -25.3 31.4 9.6 7.2 99 102 A E H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.943 102.9 46.4 -67.0 -50.8 28.4 9.3 4.8 100 103 A V H > S+ 0 0 37 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.849 109.2 58.0 -61.4 -33.3 25.8 10.0 7.4 101 104 A V H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.900 103.8 51.1 -64.3 -39.7 27.9 12.9 8.6 102 105 A M H X S+ 0 0 50 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.875 108.4 51.3 -66.3 -36.1 27.8 14.5 5.1 103 106 A T H X S+ 0 0 80 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.920 110.8 49.4 -65.8 -42.3 24.0 14.1 5.0 104 107 A T H X S+ 0 0 5 -4,-2.2 4,-3.1 2,-0.2 3,-0.4 0.961 109.2 51.0 -60.2 -53.4 23.8 15.9 8.4 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.3 5,-0.3 0.884 108.0 52.1 -51.5 -45.3 26.1 18.8 7.3 106 109 A R H X S+ 0 0 145 -4,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.878 111.7 48.1 -61.3 -35.0 24.0 19.3 4.2 107 110 A G H X S+ 0 0 19 -4,-1.6 4,-2.6 -3,-0.4 -2,-0.2 0.948 112.3 48.5 -68.3 -46.6 21.0 19.5 6.5 108 111 A L H X S+ 0 0 3 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.943 114.8 44.4 -57.2 -52.7 22.8 21.9 8.8 109 112 A V H X S+ 0 0 31 -4,-3.5 4,-2.5 1,-0.2 5,-0.5 0.966 110.5 55.0 -56.1 -55.2 23.9 24.2 5.9 110 113 A D H X S+ 0 0 120 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.905 116.4 37.7 -44.1 -52.5 20.5 24.0 4.3 111 114 A W H X S+ 0 0 52 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.951 116.7 49.8 -69.0 -49.4 18.9 25.3 7.6 112 115 A L H X S+ 0 0 15 -4,-3.2 4,-2.7 -5,-0.2 5,-0.3 0.932 112.0 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1,-0.1 -1,-0.2 -0.338 68.8-116.3 -64.4 148.8 8.0 -9.0 33.0 148 17 B P H > S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.938 114.3 47.0 -53.8 -52.2 11.8 -8.8 32.2 149 18 B S H > S+ 0 0 27 118,-0.8 4,-0.9 1,-0.2 -2,-0.0 0.839 114.7 49.0 -60.0 -32.1 11.4 -6.9 28.9 150 19 B I H > S+ 0 0 0 117,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.854 105.9 57.8 -74.2 -34.3 9.0 -4.5 30.7 151 20 B D H X S+ 0 0 21 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.895 101.2 55.7 -61.5 -41.7 11.5 -4.1 33.6 152 21 B T H X S+ 0 0 86 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.838 111.2 44.2 -62.5 -33.8 14.1 -2.8 31.1 153 22 B Q H X S+ 0 0 28 -4,-0.9 4,-2.3 -3,-0.2 -2,-0.2 0.925 113.2 48.7 -77.1 -46.7 11.8 -0.1 29.9 154 23 B H H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.907 111.2 51.9 -58.9 -39.8 10.5 0.9 33.4 155 24 B K H X S+ 0 0 89 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.898 108.5 51.4 -63.2 -38.2 14.2 1.1 34.6 156 25 B R H X S+ 0 0 136 -4,-1.2 4,-1.5 -5,-0.2 -1,-0.2 0.889 109.2 50.2 -65.7 -38.2 15.0 3.3 31.6 157 26 B L H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 111.4 48.2 -63.4 -44.7 12.0 5.6 32.6 158 27 B V H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.877 108.0 55.4 -62.9 -39.3 13.3 5.7 36.1 159 28 B D H X S+ 0 0 91 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.854 106.4 51.2 -62.5 -34.5 16.8 6.5 34.8 160 29 B Y H X S+ 0 0 55 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.888 106.6 53.1 -70.0 -39.6 15.4 9.5 32.9 161 30 B I H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.890 110.7 48.9 -60.8 -38.4 13.6 10.8 36.1 162 31 B N H X S+ 0 0 19 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.831 108.1 52.2 -71.0 -33.4 17.0 10.6 37.8 163 32 B D H X S+ 0 0 52 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.830 111.8 48.5 -70.2 -30.7 18.8 12.4 34.9 164 33 B L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.874 109.3 50.5 -75.2 -41.7 16.2 15.1 35.2 165 34 B Y H X S+ 0 0 46 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.933 110.4 50.5 -62.2 -45.4 16.5 15.5 39.0 166 35 B R H X S+ 0 0 85 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.873 108.7 52.3 -60.3 -37.6 20.3 15.8 38.6 167 36 B A H <>S+ 0 0 1 -4,-1.3 5,-2.3 2,-0.2 -1,-0.2 0.858 110.5 48.6 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