==== 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 31-AUG-05 2AWC . 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 . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 82.3 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.8 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 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 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 7 A V 0 0 121 0, 0.0 20,-0.1 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 142.5 -1.3 1.1 -11.4 2 8 A K - 0 0 184 1,-0.1 2,-0.2 5,-0.0 0, 0.0 0.064 360.0-129.0 -57.4 174.0 0.8 0.6 -14.6 3 9 A W - 0 0 58 4,-0.0 -1,-0.1 3,-0.0 5,-0.0 -0.608 30.3-177.6-132.3 73.5 -0.5 -1.4 -17.6 4 10 A S > - 0 0 54 -2,-0.2 4,-1.8 1,-0.1 0, 0.0 0.107 44.9 -93.9 -58.7-179.7 2.1 -4.0 -18.6 5 11 A E T 4 S+ 0 0 140 2,-0.2 -1,-0.1 1,-0.2 0, 0.0 0.861 124.7 50.0 -69.1 -36.7 1.6 -6.3 -21.6 6 12 A D T 4 S+ 0 0 75 1,-0.2 -1,-0.2 3,-0.0 112,-0.0 0.912 111.7 47.0 -69.1 -43.1 0.2 -9.1 -19.5 7 13 A L T 4 S+ 0 0 19 2,-0.0 -2,-0.2 110,-0.0 -1,-0.2 0.895 96.7 96.8 -64.1 -39.5 -2.3 -6.9 -17.7 8 14 A A < + 0 0 24 -4,-1.8 2,-0.2 1,-0.1 -4,-0.1 0.083 46.1 138.2 -46.7 160.4 -3.3 -5.4 -21.1 9 15 A N - 0 0 2 112,-0.1 -1,-0.1 111,-0.0 109,-0.1 -0.858 54.4 -12.9-174.1-153.1 -6.3 -6.8 -22.9 10 16 A L >> - 0 0 0 -2,-0.2 4,-2.6 1,-0.1 3,-0.8 -0.408 66.8-116.8 -66.7 144.1 -9.4 -5.6 -24.9 11 17 A P H 3> S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.905 114.8 49.2 -48.9 -51.7 -10.0 -1.9 -24.6 12 18 A S H 3> S+ 0 0 22 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.790 113.4 48.7 -62.1 -26.1 -13.4 -2.2 -22.9 13 19 A I H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.861 107.0 54.0 -80.4 -38.2 -11.8 -4.7 -20.4 14 20 A D H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.882 105.7 56.7 -60.7 -37.4 -8.9 -2.3 -19.8 15 21 A T H X S+ 0 0 83 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.886 110.0 42.0 -61.3 -42.3 -11.5 0.3 -18.9 16 22 A Q H X S+ 0 0 26 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.846 113.2 51.6 -76.8 -35.6 -13.1 -1.8 -16.2 17 23 A H H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.916 109.1 51.8 -66.6 -40.3 -9.9 -3.1 -14.7 18 24 A K H X S+ 0 0 102 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.823 106.7 54.1 -64.5 -31.0 -8.6 0.5 -14.4 19 25 A R H X S+ 0 0 97 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.824 105.6 52.4 -71.2 -32.0 -11.8 1.4 -12.7 20 26 A L H X S+ 0 0 7 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.851 108.3 52.0 -69.4 -33.6 -11.2 -1.4 -10.2 21 27 A V H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.867 106.9 52.9 -69.3 -36.1 -7.8 0.1 -9.7 22 28 A D H X S+ 0 0 87 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.932 109.6 47.5 -64.4 -46.5 -9.4 3.5 -9.0 23 29 A Y H X S+ 0 0 47 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.880 110.2 53.5 -61.1 -38.3 -11.6 1.9 -6.3 24 30 A I H X S+ 0 0 18 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.919 109.9 47.3 -63.2 -41.8 -8.6 0.3 -4.9 25 31 A N H X S+ 0 0 53 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.906 109.9 52.8 -65.8 -40.7 -6.9 3.7 -4.7 26 32 A D H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.886 107.2 53.2 -61.1 -38.0 -10.0 5.2 -3.1 27 33 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.851 108.3 49.0 -65.8 -35.6 -9.9 2.5 -0.5 28 34 A Y H X S+ 0 0 97 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.853 108.0 56.0 -71.5 -34.2 -6.3 3.3 0.3 29 35 A R H X S+ 0 0 95 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.903 106.7 49.1 -64.0 -43.3 -7.2 7.0 0.6 30 36 A A H <>S+ 0 0 4 -4,-2.0 5,-2.9 2,-0.2 -1,-0.2 0.930 112.3 46.7 -62.2 -47.5 -9.9 6.3 3.2 31 37 A A H ><5S+ 0 0 1 -4,-1.7 3,-2.1 3,-0.2 -2,-0.2 0.927 109.9 55.3 -59.8 -46.0 -7.6 4.2 5.3 32 38 A R H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.894 110.4 44.0 -52.6 -46.9 -4.9 6.8 5.0 33 39 A R T 3<5S- 0 0 187 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.281 114.6-122.2 -84.6 10.5 -7.3 9.5 6.3 34 40 A R T < 5 + 0 0 183 -3,-2.1 2,-0.9 1,-0.2 -3,-0.2 0.779 62.0 147.7 53.6 33.1 -8.3 6.9 9.0 35 41 A D >< + 0 0 75 -5,-2.9 4,-2.0 -6,-0.2 -1,-0.2 -0.797 21.1 176.2-102.7 95.2 -11.9 7.1 7.9 36 42 A M H > S+ 0 0 28 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.778 78.4 55.5 -68.9 -30.6 -13.5 3.7 8.4 37 43 A D H > S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.859 111.7 45.2 -70.3 -34.3 -17.0 4.6 7.4 38 44 A K H > S+ 0 0 88 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.879 110.6 53.8 -74.7 -38.3 -15.6 5.8 4.1 39 45 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.913 110.6 46.2 -61.6 -43.3 -13.5 2.7 3.7 40 46 A R H X S+ 0 0 80 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.841 112.1 52.4 -68.5 -33.0 -16.5 0.5 4.2 41 47 A E H X S+ 0 0 115 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.963 112.2 44.1 -65.5 -52.6 -18.4 2.7 1.7 42 48 A V H X S+ 0 0 11 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.913 110.8 54.2 -59.2 -45.4 -15.8 2.3 -0.9 43 49 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.910 106.6 52.6 -57.4 -42.5 -15.3 -1.4 -0.3 44 50 A D H X S+ 0 0 73 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.947 113.4 43.3 -56.5 -49.2 -19.1 -1.9 -0.9 45 51 A A H X S+ 0 0 32 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.863 112.3 52.6 -63.7 -40.0 -18.8 0.0 -4.2 46 52 A L H X S+ 0 0 5 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.877 110.9 50.1 -62.9 -38.2 -15.6 -1.9 -5.1 47 53 A K H X S+ 0 0 33 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.938 110.7 45.1 -66.4 -52.1 -17.5 -5.1 -4.4 48 54 A N H X S+ 0 0 74 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.907 113.5 51.9 -62.1 -40.3 -20.6 -4.3 -6.5 49 55 A Y H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.898 106.4 52.5 -63.9 -41.2 -18.4 -3.1 -9.4 50 56 A A H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.919 108.1 52.1 -61.5 -41.8 -16.3 -6.3 -9.4 51 57 A V H X S+ 0 0 67 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.866 110.8 47.5 -62.5 -35.2 -19.4 -8.4 -9.6 52 58 A E H X S+ 0 0 130 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.856 111.0 50.2 -75.3 -32.9 -20.6 -6.3 -12.6 53 59 A H H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.845 111.6 49.5 -70.3 -35.8 -17.2 -6.5 -14.4 54 60 A F H X S+ 0 0 6 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.931 111.1 49.5 -66.8 -45.3 -17.3 -10.3 -13.8 55 61 A G H X S+ 0 0 33 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.811 108.4 53.9 -62.6 -31.6 -20.8 -10.4 -15.2 56 62 A Y H X S+ 0 0 90 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.927 111.4 43.8 -69.0 -47.2 -19.6 -8.4 -18.2 57 63 A E H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 113.2 52.5 -61.4 -46.3 -16.8 -10.8 -19.0 58 64 A E H X S+ 0 0 52 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.827 106.3 53.6 -60.3 -33.4 -19.2 -13.8 -18.4 59 65 A R H X S+ 0 0 159 -4,-1.7 4,-2.9 2,-0.2 -1,-0.3 0.870 108.9 49.2 -70.2 -34.2 -21.7 -12.2 -20.8 60 66 A L H X S+ 0 0 15 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.896 108.1 53.9 -70.6 -36.6 -18.9 -12.1 -23.4 61 67 A F H <>S+ 0 0 6 -4,-2.4 5,-2.2 2,-0.2 4,-0.4 0.925 113.5 43.6 -60.7 -43.1 -18.1 -15.7 -22.7 62 68 A A H ><5S+ 0 0 73 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.964 112.6 50.6 -65.3 -53.7 -21.7 -16.6 -23.4 63 69 A D H 3<5S+ 0 0 87 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 121.7 32.0 -54.0 -42.8 -22.0 -14.4 -26.5 64 70 A Y T 3<5S- 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.229 106.3-116.3-106.1 15.7 -18.9 -15.8 -28.2 65 71 A A T < 5 - 0 0 75 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.925 35.8-160.6 52.1 52.9 -18.9 -19.4 -26.9 66 72 A Y > < - 0 0 19 -5,-2.2 3,-1.7 -6,-0.2 -1,-0.2 -0.521 11.0-142.9 -67.7 118.1 -15.7 -19.0 -25.0 67 73 A P T 3 S+ 0 0 91 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.797 95.6 47.3 -50.6 -39.5 -14.3 -22.6 -24.4 68 74 A E T 3> S+ 0 0 109 1,-0.2 4,-1.8 2,-0.1 5,-0.2 0.070 74.7 117.4 -96.5 27.0 -12.9 -21.9 -20.9 69 75 A A H <> + 0 0 28 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.880 68.9 57.6 -59.0 -43.7 -16.0 -20.1 -19.5 70 76 A T H > S+ 0 0 126 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.933 109.5 40.9 -54.8 -55.9 -16.7 -22.7 -16.8 71 77 A R H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 116.1 51.3 -60.5 -47.3 -13.4 -22.5 -15.0 72 78 A H H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.891 108.8 48.9 -58.6 -45.3 -13.2 -18.7 -15.3 73 79 A K H X S+ 0 0 104 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.854 110.6 51.9 -64.8 -34.2 -16.7 -18.1 -13.9 74 80 A E H X S+ 0 0 66 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.858 108.5 50.6 -70.9 -34.4 -16.0 -20.4 -10.9 75 81 A I H X S+ 0 0 35 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.923 111.3 49.0 -66.2 -44.0 -12.8 -18.5 -10.2 76 82 A H H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.943 111.3 50.7 -58.1 -49.0 -14.8 -15.2 -10.4 77 83 A R H X S+ 0 0 109 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.892 106.9 52.1 -58.2 -45.0 -17.4 -16.8 -8.0 78 84 A R H X S+ 0 0 153 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 108.7 51.5 -61.4 -38.8 -14.8 -17.9 -5.4 79 85 A F H X S+ 0 0 12 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.872 107.1 52.2 -65.9 -37.9 -13.3 -14.4 -5.3 80 86 A V H X S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.922 109.3 50.8 -62.7 -42.1 -16.8 -12.8 -4.7 81 87 A E H X S+ 0 0 83 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.908 112.1 47.4 -59.0 -43.7 -17.2 -15.3 -1.8 82 88 A T H X S+ 0 0 48 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.903 108.6 53.7 -65.2 -42.3 -13.9 -14.2 -0.5 83 89 A V H X S+ 0 0 5 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.848 105.7 54.7 -62.1 -34.0 -14.7 -10.5 -0.9 84 90 A L H X S+ 0 0 72 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.833 108.3 48.2 -69.8 -32.5 -17.9 -11.1 1.2 85 91 A K H >X S+ 0 0 132 -4,-1.3 4,-1.0 -3,-0.3 3,-0.8 0.949 111.0 50.0 -70.7 -48.9 -15.8 -12.6 4.0 86 92 A W H 3X S+ 0 0 56 -4,-2.5 4,-0.7 1,-0.2 3,-0.4 0.844 103.1 63.5 -55.6 -36.4 -13.4 -9.7 3.9 87 93 A E H >< S+ 0 0 53 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.866 97.9 53.8 -57.5 -41.3 -16.3 -7.3 4.0 88 94 A K H X< S+ 0 0 158 -4,-1.0 3,-1.1 -3,-0.8 4,-0.4 0.828 100.9 60.0 -65.3 -33.3 -17.4 -8.5 7.5 89 95 A Q H 3< S+ 0 0 131 -4,-1.0 3,-0.4 -3,-0.4 4,-0.4 0.693 95.5 63.0 -69.1 -19.1 -14.0 -7.9 9.0 90 96 A L T << S+ 0 0 4 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.675 82.2 80.6 -79.7 -17.1 -14.2 -4.2 8.1 91 97 A A S < S+ 0 0 72 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.891 117.9 9.4 -54.8 -42.0 -17.2 -3.8 10.4 92 98 A A S S+ 0 0 102 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.219 107.3 118.1-122.8 11.7 -14.9 -3.5 13.4 93 99 A G - 0 0 14 -4,-0.4 -3,-0.1 -5,-0.1 -57,-0.0 -0.234 51.9-137.1 -78.0 168.7 -11.6 -3.3 11.6 94 100 A D >> - 0 0 74 -59,-0.0 4,-1.9 -2,-0.0 3,-1.1 -0.653 41.9 -81.7-116.5 174.8 -9.1 -0.5 11.7 95 101 A P H 3> S+ 0 0 25 0, 0.0 4,-1.6 0, 0.0 -64,-0.1 0.726 130.3 58.7 -49.7 -22.2 -7.0 1.2 9.0 96 102 A E H 3> S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 104.2 47.6 -74.7 -43.6 -4.6 -1.7 9.4 97 103 A V H <> S+ 0 0 38 -3,-1.1 4,-2.1 1,-0.2 5,-0.2 0.833 110.0 54.6 -66.0 -32.9 -7.2 -4.2 8.5 98 104 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.921 108.6 48.5 -66.0 -43.5 -8.2 -2.1 5.5 99 105 A M H X S+ 0 0 39 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.877 111.0 49.0 -65.4 -38.6 -4.6 -2.2 4.3 100 106 A T H X S+ 0 0 92 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.914 113.6 46.5 -67.7 -42.5 -4.3 -5.9 4.7 101 107 A T H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.931 109.9 55.2 -62.4 -44.9 -7.5 -6.5 2.8 102 108 A L H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.852 105.8 51.6 -56.4 -38.4 -6.3 -4.1 0.2 103 109 A R H X S+ 0 0 141 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.865 109.6 49.5 -68.3 -37.3 -3.2 -6.1 -0.3 104 110 A G H X S+ 0 0 22 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.922 110.5 50.2 -66.7 -43.9 -5.2 -9.2 -0.8 105 111 A L H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.913 113.8 45.7 -58.6 -45.8 -7.5 -7.5 -3.3 106 112 A V H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.916 111.4 51.5 -65.5 -46.0 -4.4 -6.3 -5.2 107 113 A D H X S+ 0 0 120 -4,-2.6 4,-1.6 1,-0.2 5,-0.2 0.939 114.9 42.4 -58.9 -47.4 -2.6 -9.6 -5.1 108 114 A W H X S+ 0 0 54 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.955 114.2 50.2 -65.2 -49.9 -5.7 -11.5 -6.5 109 115 A L H X S+ 0 0 15 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.920 111.7 45.5 -55.6 -51.7 -6.6 -8.9 -9.2 110 116 A V H X S+ 0 0 55 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.900 116.3 46.0 -60.9 -43.2 -3.2 -8.6 -10.7 111 117 A N H X S+ 0 0 91 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