==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-AUG-12 4GOH . COMPND 2 MOLECULE: HEME OXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR M.UNNO,M.IKEDA-SAITO . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 77.1 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 2 1 1 1 1 0 0 0 0 0 0 0 0 0 1 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 6 A A 0 0 96 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 2.4 19.8 36.0 2 7 A G > - 0 0 34 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.224 360.0-110.8 -62.2 158.6 -0.0 17.4 34.3 3 8 A L H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.905 117.3 57.6 -58.5 -44.2 1.5 14.7 32.1 4 9 A A H > S+ 0 0 11 168,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.915 110.7 44.4 -54.6 -42.7 0.0 16.3 29.0 5 10 A V H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 112.9 50.3 -68.8 -43.0 1.9 19.5 29.8 6 11 A E H X S+ 0 0 47 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.869 110.0 50.4 -62.9 -36.6 5.1 17.8 30.7 7 12 A L H >X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 3,-0.6 0.896 106.3 54.1 -68.2 -44.2 5.1 15.8 27.5 8 13 A K H 3X S+ 0 0 150 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.927 108.5 52.4 -49.6 -44.4 4.5 18.9 25.4 9 14 A Q H 3X S+ 0 0 99 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.720 106.8 50.8 -67.8 -23.6 7.6 20.2 27.3 10 15 A S H X S+ 0 0 60 -4,-2.2 3,-0.9 1,-0.2 4,-0.8 0.932 112.7 46.5 -54.4 -53.7 9.8 21.1 22.6 13 18 A Q H >< S+ 0 0 136 -4,-1.2 3,-1.0 1,-0.3 -1,-0.2 0.915 108.1 55.8 -57.1 -48.2 13.1 20.4 24.2 14 19 A A H 3X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.736 93.6 70.6 -58.8 -25.7 13.9 17.4 21.8 15 20 A H H << S+ 0 0 124 -4,-1.4 2,-0.6 -3,-0.9 3,-0.3 0.904 91.4 63.2 -61.3 -43.0 13.4 19.7 18.7 16 21 A E T << S+ 0 0 159 -3,-1.0 -1,-0.1 -4,-0.8 3,-0.1 -0.818 106.7 33.9 -83.4 120.4 16.6 21.5 19.6 17 22 A K T 4 S+ 0 0 134 -2,-0.6 -1,-0.2 1,-0.5 -2,-0.2 -0.370 91.1 128.1 121.5 -45.2 19.3 18.9 19.3 18 23 A A S < S- 0 0 22 -4,-1.0 -1,-0.5 -3,-0.3 2,-0.4 -0.106 72.7-108.4 -41.6 128.5 17.4 17.2 16.5 19 24 A E - 0 0 97 178,-0.1 -1,-0.1 -3,-0.1 185,-0.1 -0.544 43.2-119.3 -59.1 120.0 19.4 16.6 13.3 20 25 A H + 0 0 159 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.361 40.4 171.6 -68.2 137.9 18.0 19.1 10.8 21 26 A S - 0 0 40 -2,-0.1 4,-0.2 1,-0.0 183,-0.1 -0.966 31.3-156.6-143.8 159.2 16.4 17.8 7.6 22 27 A T > + 0 0 65 -2,-0.3 4,-3.0 181,-0.2 5,-0.3 0.268 65.4 103.7-116.4 8.5 14.4 19.3 4.8 23 28 A F H > S+ 0 0 13 180,-0.2 4,-2.6 2,-0.2 5,-0.2 0.951 88.1 37.4 -59.3 -53.0 12.6 16.2 3.6 24 29 A M H > S+ 0 0 54 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.943 117.1 52.4 -68.8 -41.3 9.2 16.9 5.1 25 30 A S H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 6,-0.2 0.942 113.0 45.0 -57.7 -49.2 9.5 20.7 4.4 26 31 A D H <>S+ 0 0 38 -4,-3.0 5,-2.2 1,-0.2 6,-0.7 0.903 113.0 51.3 -58.7 -45.1 10.3 20.0 0.8 27 32 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.2 -5,-0.3 5,-0.3 0.949 111.3 46.3 -56.2 -51.6 7.5 17.4 0.5 28 33 A L H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 110.2 52.4 -72.5 -24.0 4.9 19.6 1.9 29 34 A K T 3<5S- 0 0 124 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.377 119.4-103.3 -93.0 3.7 5.8 22.7 -0.2 30 35 A G T < 5S+ 0 0 28 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.552 85.8 121.3 97.2 9.0 5.7 20.8 -3.5 31 36 A R S - 0 0 13 1,-0.1 4,-2.1 -2,-0.0 3,-0.2 -0.982 38.3 -59.4 178.6-175.6 6.7 14.2 -5.7 34 39 A V H > S+ 0 0 56 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.823 123.0 59.3 -60.2 -35.3 4.6 11.1 -5.4 35 40 A A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 107.9 44.0 -58.3 -48.8 7.7 8.8 -5.3 36 41 A E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.874 113.0 52.7 -67.4 -38.2 9.1 10.5 -2.2 37 42 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.914 109.5 49.4 -58.8 -43.2 5.6 10.5 -0.6 38 43 A T H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 107.3 53.8 -65.5 -39.5 5.4 6.8 -1.3 39 44 A R H X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.907 109.5 49.8 -60.1 -45.3 8.9 6.1 0.2 40 45 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.914 111.0 47.9 -57.9 -47.6 7.7 7.9 3.4 41 46 A Q H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.829 107.9 55.4 -72.8 -29.6 4.5 5.9 3.7 42 47 A E H X S+ 0 0 14 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.927 110.9 44.8 -63.3 -42.2 6.4 2.6 3.1 43 48 A Q H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.929 111.6 54.1 -65.4 -43.4 8.6 3.4 6.1 44 49 A A H X S+ 0 0 3 -4,-2.5 4,-3.4 1,-0.2 5,-0.4 0.905 102.5 56.5 -56.9 -44.1 5.5 4.5 8.0 45 50 A W H X S+ 0 0 46 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.934 107.6 50.0 -55.5 -42.3 3.9 1.1 7.3 46 51 A L H X S+ 0 0 42 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.957 117.6 37.3 -59.8 -51.4 7.0 -0.6 9.0 47 52 A F H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.863 116.0 50.7 -78.3 -32.1 6.9 1.5 12.1 48 53 A Y H X S+ 0 0 2 -4,-3.4 4,-2.9 2,-0.2 27,-0.3 0.893 109.6 53.2 -68.9 -34.5 3.1 1.8 12.5 49 54 A T H X S+ 0 0 39 -4,-2.1 4,-2.0 -5,-0.4 -2,-0.2 0.973 113.8 42.6 -62.4 -47.9 3.0 -2.1 12.2 50 55 A A H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.906 115.0 50.2 -60.9 -48.5 5.6 -2.3 15.0 51 56 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.923 110.2 49.3 -55.0 -47.3 3.9 0.3 17.1 52 57 A E H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.853 106.4 55.0 -73.6 -28.6 0.5 -1.3 16.8 53 58 A Q H X S+ 0 0 74 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.921 111.8 46.3 -59.8 -41.6 1.9 -4.7 17.8 54 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.907 111.3 50.5 -67.0 -45.2 3.2 -3.0 20.9 55 60 A V H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.914 109.0 53.0 -56.9 -43.1 -0.1 -1.2 21.5 56 61 A D H X S+ 0 0 76 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.888 111.1 45.9 -61.8 -39.4 -2.0 -4.5 21.1 57 62 A A H X S+ 0 0 29 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.953 115.0 45.5 -72.8 -46.2 0.2 -6.2 23.8 58 63 A V H X>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 4,-0.5 0.930 114.3 48.4 -65.0 -45.0 0.0 -3.3 26.2 59 64 A R H ><5S+ 0 0 44 -4,-3.2 3,-1.8 -5,-0.2 -1,-0.2 0.940 109.9 52.3 -57.3 -45.0 -3.8 -2.9 25.8 60 65 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.863 103.0 59.4 -63.9 -34.5 -4.3 -6.7 26.3 61 66 A S H 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.659 120.9-110.5 -64.6 -17.7 -2.3 -6.5 29.5 62 67 A G T <<5S+ 0 0 43 -3,-1.8 2,-0.4 -4,-0.5 3,-0.3 0.638 71.1 138.0 96.4 20.0 -4.9 -4.0 30.8 63 68 A F S > S+ 0 0 14 -2,-0.4 4,-1.9 1,-0.1 3,-0.8 0.759 77.8 165.5 54.1 40.6 -4.1 2.5 29.6 65 70 A E T 34 + 0 0 116 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.873 69.1 50.9 -61.0 -40.6 -6.9 0.8 27.7 66 71 A S T 34 S+ 0 0 82 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.847 111.3 48.7 -67.6 -30.2 -9.0 3.9 27.2 67 72 A L T <4 S+ 0 0 1 -3,-0.8 2,-1.9 1,-0.2 -1,-0.2 0.861 99.1 70.9 -71.0 -35.4 -6.0 5.8 25.7 68 73 A L S < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.337 71.4 175.7 -85.8 55.4 -5.2 2.9 23.4 69 74 A D > - 0 0 43 -2,-1.9 3,-1.9 -3,-0.3 4,-0.2 -0.463 28.7-146.9 -65.2 120.2 -8.2 3.3 21.1 70 75 A P G > S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.662 92.4 77.4 -66.4 -13.5 -8.0 0.9 18.2 71 76 A A G 3 S+ 0 0 31 1,-0.3 89,-0.4 89,-0.1 88,-0.2 0.746 86.8 64.0 -64.6 -20.1 -9.7 3.4 15.9 72 77 A L G < S+ 0 0 1 -3,-1.9 -1,-0.3 88,-0.1 -3,-0.0 0.694 73.3 123.8 -71.2 -22.0 -6.3 5.1 15.9 73 78 A N < + 0 0 55 -3,-1.4 4,-0.1 -4,-0.2 -24,-0.1 -0.216 29.5 169.5 -50.8 131.7 -4.7 2.1 14.1 74 79 A R > + 0 0 8 -26,-0.1 4,-2.6 2,-0.1 5,-0.2 0.432 49.7 89.4-114.4 -14.8 -3.1 3.1 10.9 75 80 A A H > S+ 0 0 7 -27,-0.3 4,-2.1 1,-0.2 -26,-0.1 0.926 93.7 40.8 -63.4 -44.6 -1.1 0.1 9.6 76 81 A E H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 114.3 54.1 -71.8 -33.2 -3.8 -1.6 7.6 77 82 A V H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 108.3 49.2 -59.1 -50.4 -4.9 1.7 6.3 78 83 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.876 107.2 55.4 -57.5 -42.8 -1.3 2.5 5.1 79 84 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 108.5 48.1 -58.7 -42.3 -1.2 -0.9 3.4 80 85 A R H X S+ 0 0 146 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.911 112.3 49.3 -64.0 -38.9 -4.4 -0.0 1.4 81 86 A D H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 111.6 48.5 -63.5 -42.7 -2.8 3.4 0.5 82 87 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 6,-0.4 0.834 103.8 59.8 -70.8 -34.3 0.4 1.7 -0.6 83 88 A D H X S+ 0 0 42 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.895 112.4 41.8 -56.4 -41.5 -1.6 -0.9 -2.7 84 89 A K H < S+ 0 0 117 -4,-1.5 -2,-0.2 67,-0.2 -1,-0.2 0.907 115.5 47.2 -72.0 -44.9 -2.9 2.1 -4.6 85 90 A L H < S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.893 122.2 34.9 -64.3 -41.3 0.4 4.0 -4.8 86 91 A N H < S- 0 0 42 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.604 101.0-128.1 -92.3 -13.5 2.4 1.0 -5.9 87 92 A G S < S+ 0 0 68 -4,-1.1 2,-0.3 -5,-0.3 -3,-0.1 0.364 79.1 38.4 85.7 -7.1 -0.2 -0.7 -8.1 88 93 A S S S- 0 0 50 -6,-0.4 3,-0.3 -5,-0.0 -2,-0.2 -0.910 83.4-105.9-158.3-179.2 0.2 -4.0 -6.4 89 94 A S S > S+ 0 0 73 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 0.490 91.0 96.6 -90.8 -11.5 0.8 -6.0 -3.1 90 95 A E G > + 0 0 95 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.731 63.5 76.8 -49.7 -35.7 4.4 -6.8 -4.1 91 96 A W G >> S+ 0 0 3 1,-0.3 4,-1.6 -3,-0.3 3,-1.5 0.751 77.9 74.8 -56.1 -28.8 5.9 -3.9 -2.1 92 97 A R G <4 S+ 0 0 97 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.822 102.7 38.1 -53.8 -34.3 5.4 -5.8 1.1 93 98 A S G <4 S+ 0 0 87 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.432 120.0 47.9 -98.6 -0.5 8.3 -8.1 0.4 94 99 A R T <4 S+ 0 0 186 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.556 75.7 105.3-120.6 -11.8 10.5 -5.5 -1.2 95 100 A I < - 0 0 31 -4,-1.6 2,-0.5 -53,-0.1 -56,-0.0 -0.438 54.1-153.0 -76.4 142.9 10.6 -2.4 1.0 96 101 A T - 0 0 102 -2,-0.1 2,-0.2 0, 0.0 -2,-0.0 -0.977 13.9-123.6-121.7 131.6 13.9 -2.0 3.0 97 102 A A - 0 0 31 -2,-0.5 -54,-0.0 1,-0.1 -55,-0.0 -0.506 22.4-122.4 -73.3 139.1 14.0 -0.1 6.3 98 103 A S > - 0 0 2 112,-0.2 4,-2.7 -2,-0.2 5,-0.2 -0.279 33.1-103.2 -66.0 161.0 16.4 2.8 6.7 99 104 A P H > S+ 0 0 70 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.894 124.8 50.5 -57.1 -36.7 18.9 2.6 9.5 100 105 A A H > S+ 0 0 4 101,-0.2 4,-2.3 1,-0.2 102,-0.2 0.894 110.1 49.1 -65.1 -39.4 16.8 5.0 11.6 101 106 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.872 108.0 54.5 -70.1 -36.0 13.6 2.9 10.9 102 107 A I H X S+ 0 0 77 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.948 111.4 45.2 -59.7 -44.7 15.5 -0.3 11.9 103 108 A D H X S+ 0 0 87 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.901 114.9 47.8 -66.8 -42.8 16.5 1.3 15.2 104 109 A Y H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.940 113.3 46.8 -59.4 -49.8 12.9 2.7 15.8 105 110 A V H X S+ 0 0 22 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.928 109.0 55.6 -60.4 -45.0 11.3 -0.6 15.0 106 111 A N H X S+ 0 0 82 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.907 109.3 47.6 -56.1 -41.4 13.8 -2.4 17.3 107 112 A R H X S+ 0 0 59 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.918 111.0 50.3 -63.9 -46.1 12.8 -0.2 20.2 108 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.904 111.1 49.5 -61.7 -37.4 9.0 -0.7 19.5 109 114 A E H X S+ 0 0 66 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.877 108.7 52.1 -69.7 -35.4 9.6 -4.5 19.4 110 115 A E H X S+ 0 0 100 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.937 109.9 49.6 -65.0 -45.0 11.5 -4.4 22.7 111 116 A I H X>S+ 0 0 4 -4,-2.6 5,-2.3 2,-0.2 4,-0.6 0.906 111.6 49.2 -58.7 -45.7 8.5 -2.4 24.2 112 117 A R H ><5S+ 0 0 66 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.972 112.6 46.2 -54.1 -55.0 6.1 -5.0 22.9 113 118 A D H 3<5S+ 0 0 103 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.837 117.2 44.0 -62.8 -34.3 8.2 -7.9 24.2 114 119 A N H 3<5S- 0 0 109 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.482 101.8-134.2 -84.4 -7.6 8.6 -6.2 27.6 115 120 A V T <<5 - 0 0 65 -3,-1.3 2,-1.3 -4,-0.6 -3,-0.2 0.947 36.5-178.2 47.6 52.2 4.9 -5.2 27.7 116 121 A D >< - 0 0 36 -5,-2.3 4,-2.5 1,-0.2 -1,-0.2 -0.654 12.7-177.2 -88.8 91.9 6.2 -1.8 28.7 117 122 A G H > S+ 0 0 5 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.912 79.0 48.3 -59.0 -53.2 3.1 0.3 29.3 118 123 A P H > S+ 0 0 7 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.945 114.2 46.4 -55.6 -41.4 4.8 3.6 30.1 119 124 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.896 111.2 52.6 -69.2 -39.1 7.2 3.4 27.2 120 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.912 105.7 53.9 -63.6 -44.1 4.3 2.5 24.8 121 126 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.903 105.7 54.7 -56.5 -41.4 2.3 5.5 25.9 122 127 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.927 112.3 42.0 -53.8 -49.4 5.3 7.8 25.1 123 128 A H H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.827 112.0 54.8 -69.6 -35.4 5.5 6.4 21.5 124 129 A H H X>S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.6 0.927 110.0 47.9 -60.9 -45.8 1.6 6.5 21.1 125 130 A Y H X>S+ 0 0 17 -4,-2.6 4,-1.5 -5,-0.2 5,-0.7 0.951 111.2 49.3 -57.1 -52.8 1.7 10.2 22.1 126 131 A V H <5S+ 0 0 10 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.907 121.5 34.1 -59.4 -45.9 4.6 11.0 19.7 127 132 A R H X5S+ 0 0 22 -4,-2.3 4,-2.1 -5,-0.1 -2,-0.2 0.970 124.8 34.7 -73.9 -57.6 2.9 9.3 16.7 128 133 A Y H X5S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.3 -3,-0.2 0.868 112.2 53.2 -80.8 -37.2 -0.8 9.8 17.2 129 134 A L H <> S+ 0 0 10 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.997 76.3 26.9 -86.4 -70.9 -4.1 15.3 8.9 136 141 A Q H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.798 120.8 60.3 -74.2 -26.9 -6.4 16.8 6.4 137 142 A V H > S+ 0 0 100 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 106.5 40.8 -65.5 -55.8 -3.8 19.4 6.0 138 143 A I H X S+ 0 0 24 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.922 114.6 54.6 -62.7 -43.0 -1.0 17.1 4.8 139 144 A A H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.930 107.6 49.5 -55.3 -47.3 -3.5 15.2 2.7 140 145 A R H X S+ 0 0 110 -4,-2.2 4,-3.1 1,-0.2 -1,-0.3 0.857 107.6 54.3 -61.7 -35.6 -4.6 18.3 0.9 141 146 A M H X S+ 0 0 48 -4,-1.5 4,-2.9 2,-0.2 5,-0.4 0.891 107.9 49.2 -64.9 -38.8 -1.1 19.3 0.2 142 147 A M H X S+ 0 0 0 -4,-2.3 6,-1.6 2,-0.2 4,-1.5 0.900 114.2 46.5 -65.8 -39.3 -0.4 15.9 -1.4 143 148 A Q H X S+ 0 0 76 -4,-2.4 4,-1.5 4,-0.2 -2,-0.2 0.939 118.5 41.3 -63.2 -48.9 -3.6 16.4 -3.6 144 149 A R H < S+ 0 0 180 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.919 123.0 33.9 -70.5 -49.5 -2.8 20.0 -4.5 145 150 A H H < S+ 0 0 87 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.868 137.4 15.0 -73.5 -38.8 1.0 19.7 -5.2 146 151 A Y H < S- 0 0 40 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.2 0.388 92.9-118.5-123.8 -4.1 1.2 16.3 -6.6 147 152 A G < + 0 0 61 -4,-1.5 -4,-0.2 -5,-0.3 2,-0.2 0.738 45.0 174.1 65.1 26.0 -2.4 15.1 -7.6 148 153 A V - 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