==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-03 1OZW . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LAD,J.WANG,H.LI,J.FRIEDMAN,P.R.ORTIZ DE MONTELLANO, . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 75.2 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 4 0 0 2 2 2 0 1 1 0 2 0 2 0 0 0 0 0 0 0 0 2 0 2 0 1 1 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 10 A P 0 0 72 0, 0.0 6,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0-164.7 3.3 0.6 17.2 2 11 A Q + 0 0 173 4,-0.0 2,-0.3 5,-0.0 3,-0.0 0.961 360.0 65.0 -77.3 -56.7 0.8 3.4 16.4 3 12 A D S > S- 0 0 77 1,-0.1 4,-2.6 2,-0.0 3,-0.3 -0.526 76.1-138.7 -73.6 133.5 2.3 5.2 13.4 4 13 A L H > S+ 0 0 6 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.898 103.9 55.9 -56.3 -43.7 2.5 3.1 10.3 5 14 A S H > S+ 0 0 12 169,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.873 112.4 41.9 -58.5 -38.9 6.0 4.5 9.5 6 15 A E H > S+ 0 0 112 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.848 112.5 54.6 -76.8 -34.4 7.2 3.3 12.9 7 16 A A H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.914 109.7 47.6 -63.7 -43.4 5.3 0.0 12.6 8 17 A L H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.917 110.8 50.2 -63.8 -46.5 7.1 -0.6 9.3 9 18 A K H < S+ 0 0 138 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.913 114.9 43.6 -60.2 -44.3 10.5 0.2 10.6 10 19 A E H >< S+ 0 0 132 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.894 113.2 51.3 -69.1 -40.8 10.2 -2.0 13.6 11 20 A A H 3< S+ 0 0 30 -4,-2.3 4,-0.3 1,-0.2 3,-0.2 0.772 114.2 43.0 -68.9 -27.3 8.6 -4.9 11.6 12 21 A T T 3X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.293 82.2 98.8-103.2 9.7 11.4 -5.0 9.0 13 22 A K H <> S+ 0 0 155 -3,-0.9 4,-1.6 -4,-0.3 -1,-0.2 0.910 86.2 48.4 -61.2 -41.8 14.4 -4.6 11.3 14 23 A E H > S+ 0 0 148 -4,-0.4 4,-1.5 -3,-0.2 -1,-0.2 0.934 114.3 43.3 -64.3 -50.4 15.0 -8.3 11.2 15 24 A V H > S+ 0 0 9 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.797 108.8 58.8 -68.9 -28.4 14.8 -8.7 7.4 16 25 A H H X S+ 0 0 91 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 107.2 47.1 -66.3 -41.0 16.8 -5.5 6.9 17 26 A T H X S+ 0 0 58 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.858 107.4 57.3 -67.0 -33.5 19.7 -7.1 8.8 18 27 A Q H X S+ 0 0 85 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.890 107.5 48.6 -62.8 -37.7 19.1 -10.3 6.7 19 28 A A H >< S+ 0 0 13 -4,-1.8 3,-0.7 1,-0.2 6,-0.2 0.890 109.6 51.0 -68.8 -40.2 19.7 -8.1 3.7 20 29 A E H 3< S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 111.5 49.5 -65.8 -30.7 22.9 -6.6 5.2 21 30 A N H 3< S+ 0 0 92 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.560 80.8 121.4 -85.6 -9.8 24.1 -10.1 5.9 22 31 A A S XX S- 0 0 12 -3,-0.7 4,-2.8 -4,-0.6 3,-0.5 -0.324 72.4-123.9 -57.0 132.6 23.4 -11.4 2.4 23 32 A E H 3> S+ 0 0 104 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.869 111.8 51.3 -45.0 -47.4 26.7 -12.7 0.9 24 33 A F H 3> S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.903 114.9 42.6 -60.4 -41.8 26.4 -10.3 -2.1 25 34 A M H <> S+ 0 0 25 -3,-0.5 4,-2.7 -6,-0.2 -2,-0.2 0.788 108.5 58.4 -75.8 -29.2 25.8 -7.4 0.3 26 35 A R H X S+ 0 0 100 -4,-2.8 4,-2.2 2,-0.2 6,-0.2 0.932 109.5 45.3 -64.3 -44.2 28.6 -8.4 2.7 27 36 A N H <>S+ 0 0 43 -4,-2.2 5,-2.9 -5,-0.2 -2,-0.2 0.919 111.5 52.4 -63.6 -44.7 31.0 -8.3 -0.2 28 37 A F H ><5S+ 0 0 10 -4,-1.8 3,-1.6 1,-0.2 5,-0.3 0.947 111.7 46.3 -56.0 -50.7 29.7 -5.0 -1.3 29 38 A Q H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.3 57.4 -61.3 -38.3 30.1 -3.5 2.2 30 39 A K T 3<5S- 0 0 138 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.437 121.5-112.1 -72.8 3.5 33.6 -5.0 2.5 31 40 A G T < 5S+ 0 0 32 -3,-1.6 2,-0.5 -5,-0.1 -3,-0.2 0.598 82.6 129.1 76.1 11.3 34.2 -2.9 -0.7 32 41 A Q < + 0 0 128 -5,-2.9 2,-0.4 -6,-0.2 -4,-0.2 -0.223 28.9 134.6 -92.8 44.6 34.7 -6.1 -2.7 33 42 A V - 0 0 16 -2,-0.5 2,-0.2 -5,-0.3 -8,-0.0 -0.770 40.6-152.0 -95.3 137.4 32.2 -5.1 -5.4 34 43 A T > - 0 0 79 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.642 27.1-112.4-104.3 165.2 33.2 -5.7 -9.0 35 44 A R H > S+ 0 0 121 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.898 119.9 51.3 -62.0 -40.5 32.2 -3.8 -12.2 36 45 A D H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 111.7 47.2 -63.8 -39.8 30.3 -6.9 -13.4 37 46 A G H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.907 111.9 49.2 -68.0 -42.6 28.5 -7.2 -10.1 38 47 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.894 107.2 56.0 -63.6 -41.1 27.6 -3.5 -9.9 39 48 A K H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 106.5 50.4 -57.4 -43.7 26.2 -3.6 -13.5 40 49 A L H X S+ 0 0 20 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.872 109.3 51.7 -62.8 -37.9 23.9 -6.4 -12.5 41 50 A V H X S+ 0 0 25 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.932 111.0 47.0 -64.3 -45.8 22.7 -4.4 -9.5 42 51 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.885 111.2 51.0 -65.1 -38.2 21.9 -1.4 -11.7 43 52 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.916 110.3 50.6 -64.4 -42.1 20.1 -3.5 -14.3 44 53 A S H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.933 109.0 50.7 -59.3 -49.0 18.0 -5.0 -11.5 45 54 A L H X S+ 0 0 15 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.884 106.1 56.6 -58.9 -39.7 17.1 -1.6 -10.2 46 55 A Y H X S+ 0 0 23 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.965 110.4 42.7 -57.8 -51.4 16.1 -0.5 -13.7 47 56 A H H X S+ 0 0 25 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.910 115.2 50.7 -62.3 -41.1 13.5 -3.3 -14.0 48 57 A I H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.936 113.8 42.6 -62.6 -49.0 12.3 -2.9 -10.5 49 58 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.832 108.9 58.1 -71.0 -30.8 11.7 0.9 -10.7 50 59 A V H X S+ 0 0 40 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.961 113.6 40.3 -61.2 -46.8 10.2 0.6 -14.2 51 60 A A H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.937 116.3 48.8 -66.3 -49.0 7.5 -1.7 -12.7 52 61 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.926 114.3 45.1 -58.2 -46.2 7.1 0.2 -9.5 53 62 A E H X S+ 0 0 22 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.790 109.0 55.8 -73.1 -24.8 6.7 3.6 -11.2 54 63 A E H X S+ 0 0 94 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.927 112.4 43.9 -69.2 -43.1 4.3 2.2 -13.8 55 64 A E H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.822 110.2 54.9 -71.3 -30.9 2.1 0.9 -11.0 56 65 A I H X S+ 0 0 10 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.929 107.9 49.6 -68.2 -41.4 2.4 4.2 -9.1 57 66 A E H < S+ 0 0 85 -4,-2.0 3,-0.5 1,-0.2 4,-0.2 0.868 108.8 53.4 -64.1 -34.2 1.2 6.1 -12.1 58 67 A R H < S+ 0 0 106 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.865 121.0 31.0 -67.5 -35.8 -1.7 3.8 -12.4 59 68 A N H >< S+ 0 0 18 -4,-1.7 3,-1.4 1,-0.1 7,-0.3 0.232 82.0 113.8-108.9 14.5 -2.8 4.3 -8.8 60 69 A K T 3< S+ 0 0 73 -4,-0.7 9,-0.2 -3,-0.5 -1,-0.1 0.766 82.2 44.5 -59.5 -27.2 -1.7 7.9 -8.2 61 70 A E T 3 S+ 0 0 178 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.510 89.3 107.8 -95.4 -4.5 -5.2 9.2 -7.8 62 71 A S S X> S- 0 0 36 -3,-1.4 4,-3.5 1,-0.1 3,-2.0 -0.475 74.9-129.6 -73.9 142.1 -6.4 6.4 -5.6 63 72 A P T 34 S+ 0 0 108 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.708 107.1 66.2 -63.3 -18.2 -7.0 7.2 -1.9 64 73 A V T 34 S+ 0 0 51 1,-0.1 57,-0.3 -5,-0.1 -4,-0.1 0.567 123.5 9.2 -80.2 -8.1 -4.8 4.2 -1.1 65 74 A F T X4 S+ 0 0 2 -3,-2.0 3,-2.6 -6,-0.2 4,-0.2 0.580 98.8 92.5-139.4 -32.4 -1.8 5.8 -2.6 66 75 A A G >< S+ 0 0 38 -4,-3.5 3,-1.9 -7,-0.3 -2,-0.1 0.797 82.2 64.2 -38.6 -44.4 -2.3 9.5 -3.4 67 76 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.793 109.4 38.8 -55.5 -28.9 -1.0 10.7 -0.0 68 77 A V G < S+ 0 0 3 -3,-2.6 2,-0.9 108,-0.1 -2,-0.2 0.154 82.9 125.2-109.1 20.9 2.5 9.3 -0.8 69 78 A Y < + 0 0 58 -3,-1.9 -3,-0.0 -4,-0.2 -4,-0.0 -0.710 19.5 152.9 -83.9 108.1 2.6 10.3 -4.5 70 79 A F > + 0 0 26 -2,-0.9 4,-2.0 1,-0.1 5,-0.3 -0.583 7.0 165.2-134.7 69.4 5.8 12.4 -5.0 71 80 A P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.903 74.0 43.6 -53.8 -53.3 6.7 11.8 -8.6 72 81 A E H 4 S+ 0 0 78 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.903 116.5 46.6 -64.3 -41.6 9.2 14.7 -9.1 73 82 A E H 4 S+ 0 0 58 1,-0.1 89,-0.3 89,-0.1 -1,-0.2 0.849 127.3 22.2 -70.4 -34.0 11.0 14.1 -5.8 74 83 A L H < S+ 0 0 5 -4,-2.0 -2,-0.2 88,-0.1 -1,-0.1 0.706 77.5 125.9-111.8 -20.5 11.4 10.4 -6.1 75 84 A H < + 0 0 46 -4,-2.5 4,-0.1 -5,-0.3 -26,-0.0 -0.108 24.5 173.1 -50.2 133.3 11.2 9.1 -9.7 76 85 A R > + 0 0 4 -27,-0.1 4,-2.3 2,-0.1 5,-0.2 0.524 52.1 90.2-117.9 -14.7 14.2 6.9 -10.5 77 86 A K H > S+ 0 0 57 1,-0.2 4,-2.3 -28,-0.2 5,-0.2 0.930 90.9 47.0 -52.6 -52.1 13.5 5.4 -14.0 78 87 A A H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 111.6 51.5 -59.2 -40.0 15.1 8.3 -15.9 79 88 A A H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 78,-0.3 0.901 111.1 47.9 -64.2 -39.9 18.2 8.3 -13.7 80 89 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.850 107.8 55.1 -70.2 -34.0 18.6 4.6 -14.2 81 90 A E H X S+ 0 0 6 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.956 109.9 47.4 -61.6 -47.3 18.2 4.9 -18.0 82 91 A Q H X S+ 0 0 9 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.936 114.2 47.7 -58.3 -46.6 21.1 7.5 -17.9 83 92 A D H >X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.904 109.4 51.0 -64.9 -41.7 23.2 5.2 -15.8 84 93 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.3 5,-0.4 0.822 102.3 60.5 -68.0 -29.0 22.6 2.0 -17.9 85 94 A A H 3< S+ 0 0 12 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.3 0.816 111.5 42.7 -65.8 -26.6 23.6 3.9 -21.0 86 95 A F H << S+ 0 0 45 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.924 119.1 40.5 -81.8 -49.3 26.9 4.4 -19.3 87 96 A W H < S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.808 132.5 22.5 -70.6 -33.4 27.4 0.9 -17.8 88 97 A Y S < S- 0 0 44 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.413 107.1-124.1-115.2 -1.8 26.1 -1.1 -20.8 89 98 A G > - 0 0 20 -4,-0.4 3,-1.7 -5,-0.4 -1,-0.2 -0.176 49.0 -41.5 88.0 178.2 26.6 1.4 -23.7 90 99 A P T 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.765 136.0 48.6 -53.2 -33.4 24.3 2.9 -26.3 91 100 A R T >> S+ 0 0 154 -3,-0.3 3,-1.7 1,-0.2 4,-0.9 0.007 70.3 132.3-100.6 30.3 22.5 -0.4 -27.0 92 101 A W H X> + 0 0 2 -3,-1.7 4,-2.5 1,-0.3 3,-0.7 0.816 64.7 62.7 -50.0 -36.7 21.9 -1.2 -23.3 93 102 A Q H 34 S+ 0 0 104 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.830 105.6 46.5 -60.8 -31.3 18.2 -2.0 -23.9 94 103 A E H <4 S+ 0 0 121 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.641 122.6 33.2 -84.7 -16.7 19.2 -4.9 -26.1 95 104 A V H << S+ 0 0 87 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.1 0.618 81.9 109.5-118.7 -14.2 21.9 -6.3 -23.8 96 105 A I < - 0 0 20 -4,-2.5 2,-0.1 -5,-0.2 -56,-0.1 -0.376 69.8-114.3 -66.0 141.7 20.9 -5.8 -20.1 97 106 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.399 22.7-167.5 -75.8 152.7 19.9 -9.0 -18.3 98 107 A Y - 0 0 98 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.789 23.5-169.8-139.9 87.6 16.4 -9.7 -17.0 99 108 A T > - 0 0 14 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.270 35.9-104.2 -81.1 165.2 16.9 -12.7 -14.8 100 109 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.874 121.5 50.8 -56.7 -39.9 14.3 -14.9 -13.1 101 110 A A H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 103,-0.1 0.859 110.3 49.7 -68.9 -33.1 14.8 -13.3 -9.7 102 111 A M H > S+ 0 0 0 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 110.8 51.2 -68.2 -41.6 14.4 -9.9 -11.2 103 112 A Q H X S+ 0 0 82 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.848 104.4 55.9 -63.1 -37.5 11.2 -11.1 -12.9 104 113 A R H X S+ 0 0 150 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.900 110.5 45.7 -62.9 -39.1 9.8 -12.5 -9.6 105 114 A Y H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.949 114.4 47.1 -67.4 -50.4 10.1 -9.0 -8.1 106 115 A V H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.911 110.0 54.8 -58.0 -43.0 8.6 -7.2 -11.1 107 116 A K H X S+ 0 0 135 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.912 108.2 47.5 -58.8 -45.3 5.8 -9.7 -11.2 108 117 A R H X S+ 0 0 39 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.915 109.3 54.3 -64.3 -41.0 4.9 -9.1 -7.5 109 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.911 111.4 44.8 -58.8 -43.1 5.0 -5.3 -8.1 110 119 A H H X S+ 0 0 47 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.885 111.0 53.0 -69.9 -37.5 2.5 -5.6 -11.0 111 120 A E H X>S+ 0 0 77 -4,-2.4 4,-2.4 -5,-0.2 5,-0.8 0.925 113.2 45.1 -61.8 -43.7 0.2 -7.9 -9.1 112 121 A V H X5S+ 0 0 0 -4,-2.6 4,-1.5 3,-0.2 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0.906 111.1 51.1 -70.2 -42.1 15.5 -8.2 -2.7 202 211 A I H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.906 109.4 48.6 -63.7 -42.0 17.3 -10.9 -0.7 203 212 A Q H X S+ 0 0 53 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.851 110.6 52.9 -68.2 -30.3 16.5 -13.7 -3.2 204 213 A L H X S+ 0 0 4 -4,-1.3 4,-2.8 -5,-0.2 -2,-0.2 0.944 107.4 51.2 -67.5 -45.2 17.7 -11.3 -5.9 205 214 A F H X S+ 0 0 32 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 109.3 50.8 -56.9 -42.9 21.0 -10.8 -4.1 206 215 A E H X S+ 0 0 126 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.900 111.1 48.5 -64.0 -39.4 21.4 -14.6 -3.8 207 216 A E H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 111.3 48.8 -66.5 -45.3 20.8 -15.0 -7.5 208 217 A L H X S+ 0 0 2 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.903 109.3 53.1 -61.6 -40.0 23.2 -12.3 -8.5 209 218 A Q H X S+ 0 0 21 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.893 110.0 48.9 -61.4 -39.7 25.9 -13.8 -6.3 210 219 A E H >< S+ 0 0 97 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.905 108.1 53.3 -66.8 -42.5 25.4 -17.1 -8.0 211 220 A L H 3< S+ 0 0 75 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.792 110.3 49.1 -63.5 -27.6 25.6 -15.6 -11.5 212 221 A L H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.566 95.6 71.5 -89.9 -11.0 29.0 -14.0 -10.6 213 222 A T << 0 0 88 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 -0.122 360.0 360.0-101.6 39.9 30.7 -17.0 -9.1 214 223 A H 0 0 179 -3,-0.4 -3,-0.0 0, 0.0 0, 0.0 -0.518 360.0 360.0-111.8 360.0 31.3 -19.0 -12.3 215 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 216 10 B P 0 0 94 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.6 14.1 23.0 -50.3 217 11 B Q + 0 0 171 4,-0.0 2,-0.2 5,-0.0 5,-0.0 0.961 360.0 65.2 -73.2 -54.8 10.9 21.0 -50.6 218 12 B D S > S- 0 0 84 1,-0.1 4,-2.0 4,-0.0 3,-0.5 -0.482 81.5-131.1 -74.4 140.0 11.0 19.1 -47.3 219 13 B L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 106.5 58.7 -56.2 -40.9 10.7 21.2 -44.0 220 14 B S H > S+ 0 0 7 169,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.888 110.5 41.8 -58.1 -41.0 13.7 19.4 -42.5 221 15 B E H > S+ 0 0 84 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.825 112.1 54.9 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49.6 -68.2 -35.4 24.6 28.4 -37.0 232 26 B T H X S+ 0 0 67 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.910 109.4 51.4 -67.6 -42.3 28.0 29.6 -38.2 233 27 B Q H X S+ 0 0 94 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.882 108.2 52.4 -60.9 -39.5 27.5 32.8 -36.1 234 28 B A H >< S+ 0 0 13 -4,-2.1 3,-0.8 1,-0.2 6,-0.3 0.911 109.2 48.8 -63.4 -43.3 26.7 30.6 -33.1 235 29 B E H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.3 51.8 -64.4 -36.4 29.9 28.6 -33.6 236 30 B N H 3< S+ 0 0 71 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.572 78.5 123.9 -77.6 -9.8 31.9 31.8 -33.9 237 31 B A S XX S- 0 0 12 -3,-0.8 4,-2.6 -4,-0.6 3,-0.9 -0.348 70.3-128.5 -54.6 121.8 30.4 33.1 -30.6 238 32 B E H 3> S+ 0 0 119 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.835 107.9 51.6 -41.6 -45.6 33.5 33.9 -28.5 239 33 B F H 3> S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.895 112.7 44.8 -63.0 -40.4 32.1 31.8 -25.6 240 34 B M H <> S+ 0 0 33 -3,-0.9 4,-3.1 -6,-0.3 5,-0.3 0.838 109.7 55.3 -72.5 -33.6 31.5 28.8 -27.9 241 35 B R H X S+ 0 0 131 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.902 110.7 45.5 -64.8 -40.5 34.9 29.1 -29.5 242 36 B N H <>S+ 0 0 37 -4,-2.1 5,-4.0 -5,-0.3 -1,-0.2 0.864 114.7 48.8 -69.9 -36.0 36.5 29.0 -26.1 243 37 B F H ><5S+ 0 0 6 -4,-1.7 3,-2.5 3,-0.2 5,-0.3 0.972 113.1 44.3 -67.0 -55.6 34.3 26.0 -25.1 244 38 B Q H 3<5S+ 0 0 117 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 111.1 57.4 -60.5 -24.7 34.9 24.0 -28.3 245 39 B K T 3<5S- 0 0 133 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.313 120.5-113.4 -88.2 8.0 38.6 25.0 -27.9 246 40 B G T < 5S+ 0 0 32 -3,-2.5 -3,-0.2 1,-0.1 -2,-0.1 0.722 82.5 123.5 68.2 23.8 38.5 23.4 -24.4 247 41 B Q < + 0 0 118 -5,-4.0 2,-0.4 -6,-0.1 -4,-0.2 -0.091 34.0 130.3-105.3 34.3 39.0 26.6 -22.6 248 42 B V - 0 0 14 -5,-0.3 2,-0.2 -6,-0.2 -8,-0.0 -0.715 43.7-151.6 -91.0 136.5 35.8 26.3 -20.5 249 43 B T > - 0 0 78 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.546 28.6-108.3 -99.5 169.2 36.0 26.8 -16.7 250 44 B R H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.901 120.3 51.1 -65.1 -39.0 33.8 25.3 -14.1 251 45 B D H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.908 113.1 45.6 -64.0 -41.8 32.1 28.6 -13.4 252 46 B G H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.906 111.9 51.0 -67.9 -41.5 31.4 29.1 -17.1 253 47 B F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.895 106.7 55.0 -63.5 -39.6 30.2 25.5 -17.5 254 48 B K H X S+ 0 0 51 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 105.7 52.1 -61.7 -37.6 27.8 25.9 -14.6 255 49 B L H X S+ 0 0 24 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.880 109.6 50.1 -65.3 -37.7 26.3 29.0 -16.2 256 50 B V H X S+ 0 0 20 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.928 112.0 46.7 -65.5 -46.3 25.7 27.0 -19.4 257 51 B M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.891 111.3 51.1 -64.5 -40.0 24.1 24.2 -17.6 258 52 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 110.7 50.4 -63.1 -41.8 21.8 26.5 -15.6 259 53 B S H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.934 109.2 49.9 -59.6 -49.4 20.8 28.2 -18.9 260 54 B L H X S+ 0 0 16 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.883 107.5 55.9 -59.1 -39.8 20.0 24.8 -20.5 261 55 B Y H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.959 109.9 43.7 -58.3 -51.4 17.9 23.9 -17.5 262 56 B H H X S+ 0 0 31 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.923 115.6 49.2 -61.7 -41.6 15.7 27.0 -17.7 263 57 B I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.939 114.0 44.2 -63.9 -47.4 15.4 26.7 -21.5 264 58 B Y H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.843 108.2 57.4 -69.4 -32.7 14.4 23.0 -21.4 265 59 B V H X S+ 0 0 28 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.956 113.4 41.3 -60.4 -46.6 12.0 23.5 -18.5 266 60 B A H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.913 115.7 48.8 -66.9 -44.7 10.1 26.0 -20.6 267 61 B L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.933 114.4 44.8 -62.8 -45.4 10.4 24.0 -23.9 268 62 B E H X S+ 0 0 24 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.807 109.3 56.5 -72.7 -25.0 9.2 20.8 -22.3 269 63 B E H X S+ 0 0 95 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.934 112.1 42.8 -67.5 -45.4 6.3 22.6 -20.5 270 64 B E H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.802 110.9 54.8 -71.1 -30.8 5.0 23.9 -23.8 271 65 B I H X S+ 0 0 10 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.928 108.2 49.4 -68.5 -42.1 5.5 20.6 -25.6 272 66 B E H < S+ 0 0 85 -4,-2.1 3,-0.3 1,-0.2 4,-0.2 0.856 109.3 53.2 -64.0 -33.6 3.4 18.9 -22.9 273 67 B R H < S+ 0 0 128 -4,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.845 121.3 30.4 -69.2 -33.8 0.7 21.6 -23.4 274 68 B N H >< S+ 0 0 21 -4,-1.6 3,-1.3 -3,-0.2 7,-0.3 0.284 82.9 110.8-110.7 11.1 0.6 21.0 -27.1 275 69 B K T 3< S+ 0 0 61 -4,-0.9 9,-0.1 -3,-0.3 -1,-0.1 0.721 80.2 50.7 -59.3 -23.9 1.5 17.3 -27.5 276 70 B E T 3 S+ 0 0 167 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.628 89.6 98.7 -88.8 -16.5 -2.1 16.4 -28.6 277 71 B S S X> S- 0 0 35 -3,-1.3 4,-3.5 1,-0.1 3,-2.1 -0.463 78.6-127.5 -75.3 143.0 -2.3 19.0 -31.3 278 72 B P T 34 S+ 0 0 103 0, 0.0 118,-0.4 0, 0.0 -1,-0.1 0.662 106.6 70.0 -63.0 -13.0 -1.7 18.1 -35.0 279 73 B V T 34 S+ 0 0 36 -5,-0.1 57,-0.3 1,-0.1 -4,-0.1 0.676 123.0 7.2 -78.0 -15.2 0.8 21.0 -35.1 280 74 B F T X4 S+ 0 0 2 -3,-2.1 3,-2.5 -6,-0.3 4,-0.2 0.606 101.6 92.2-134.8 -29.7 3.2 19.0 -32.8 281 75 B A G >< S+ 0 0 39 -4,-3.5 3,-1.9 -7,-0.3 -2,-0.1 0.817 83.9 60.5 -39.2 -47.2 1.9 15.5 -32.2 282 76 B P G 3 S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 110,-0.1 0.747 110.9 40.3 -57.6 -25.0 3.9 14.0 -35.2 283 77 B V G < S+ 0 0 2 -3,-2.5 2,-0.8 108,-0.1 -2,-0.2 0.142 83.0 124.4-110.7 19.4 7.2 15.2 -33.6 284 78 B Y < + 0 0 55 -3,-1.9 -3,-0.0 -4,-0.2 -4,-0.0 -0.719 19.9 153.3 -84.7 110.9 6.3 14.2 -30.0 285 79 B F > + 0 0 23 -2,-0.8 4,-2.0 1,-0.1 5,-0.3 -0.604 6.6 165.3-137.1 71.3 9.0 11.9 -28.7 286 80 B P H > S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.918 73.7 44.6 -56.4 -52.2 9.1 12.4 -24.9 287 81 B E H 4 S+ 0 0 84 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.907 116.0 46.3 -63.6 -42.3 11.1 9.4 -23.8 288 82 B E H 4 S+ 0 0 62 1,-0.1 89,-0.3 89,-0.1 -1,-0.2 0.863 127.4 22.2 -68.8 -36.7 13.7 9.7 -26.5 289 83 B L H < S+ 0 0 5 -4,-2.0 -2,-0.2 88,-0.1 -1,-0.1 0.716 77.4 125.8-109.7 -21.2 14.4 13.4 -26.0 290 84 B H < + 0 0 48 -4,-2.6 4,-0.1 -5,-0.3 -26,-0.0 -0.090 24.7 173.2 -49.4 132.8 13.3 14.8 -22.6 291 85 B R > + 0 0 4 -27,-0.1 4,-2.2 2,-0.1 5,-0.2 0.525 52.6 89.1-117.5 -12.8 16.2 16.6 -21.0 292 86 B K H > S+ 0 0 63 1,-0.2 4,-2.3 -28,-0.2 5,-0.2 0.935 90.6 48.2 -55.3 -50.2 14.8 18.3 -17.9 293 87 B A H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 111.2 50.5 -58.7 -41.5 15.4 15.3 -15.6 294 88 B A H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 78,-0.4 0.897 111.0 49.2 -64.8 -38.6 19.0 14.9 -16.8 295 89 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.859 107.7 53.9 -69.7 -34.4 19.6 18.6 -16.1 296 90 B E H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.954 109.7 48.7 -62.7 -47.2 18.1 18.4 -12.7 297 91 B Q H X S+ 0 0 9 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.944 113.9 46.4 -56.3 -48.6 20.6 15.5 -11.9 298 92 B D H >X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-0.6 0.914 110.2 51.3 -63.5 -44.1 23.5 17.5 -13.3 299 93 B L H 3X>S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.7 0.839 102.4 60.1 -64.5 -32.3 22.7 20.7 -11.4 300 94 B A H 3X5S+ 0 0 12 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.865 110.7 43.6 -62.8 -31.4 22.4 18.9 -8.1 301 95 B F H <<5S+ 0 0 47 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.936 118.6 41.5 -76.2 -48.9 26.0 17.9 -8.7 302 96 B W H <5S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.821 133.1 19.2 -70.6 -34.3 27.3 21.3 -9.9 303 97 B Y H <5S- 0 0 48 -4,-3.0 3,-0.3 1,-0.3 -3,-0.2 0.555 106.1-122.3-113.9 -12.9 25.4 23.5 -7.4 304 98 B G ><< - 0 0 18 -4,-0.8 3,-1.8 -5,-0.7 -1,-0.3 -0.368 50.2 -41.2 99.8 179.4 24.5 21.1 -4.6 305 99 B P T 3 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.773 136.3 49.4 -54.4 -32.5 21.2 20.0 -3.0 306 100 B R T >> S+ 0 0 116 -3,-0.3 3,-1.3 1,-0.2 4,-1.2 0.048 73.2 126.6 -99.1 27.3 19.8 23.5 -3.0 307 101 B W H <> + 0 0 2 -3,-1.8 4,-2.4 1,-0.3 3,-0.4 0.849 64.8 59.9 -51.9 -43.3 20.6 24.1 -6.6 308 102 B Q H 34 S+ 0 0 123 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.811 108.8 46.1 -60.2 -27.0 17.1 25.1 -7.6 309 103 B E H <4 S+ 0 0 133 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.754 120.7 36.0 -84.9 -26.9 17.3 28.0 -5.1 310 104 B V H < S+ 0 0 88 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.1 0.615 82.7 109.9-106.5 -13.4 20.7 29.2 -6.1 311 105 B I S < S- 0 0 20 -4,-2.4 2,-0.1 -5,-0.2 -56,-0.1 -0.309 71.6-109.1 -63.9 148.4 21.1 28.8 -9.8 312 106 B P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.373 22.7-163.4 -75.9 156.2 21.2 32.1 -11.7 313 107 B Y - 0 0 108 -2,-0.1 -54,-0.0 -51,-0.0 -2,-0.0 -0.828 21.6-172.3-141.2 94.2 18.4 33.3 -14.0 314 108 B T > - 0 0 18 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.392 37.8-102.3 -89.8 164.6 19.8 36.1 -16.2 315 109 B P H > S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.879 121.7 48.5 -52.8 -42.5 18.1 38.4 -18.7 316 110 B A H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 103,-0.2 0.852 110.5 51.0 -68.9 -34.4 19.2 36.4 -21.8 317 111 B M H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.939 112.0 49.0 -64.8 -44.2 18.0 33.2 -20.2 318 112 B Q H X S+ 0 0 105 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.854 104.3 56.7 -63.6 -38.8 14.7 34.9 -19.6 319 113 B R H X S+ 0 0 114 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 110.5 46.3 -61.6 -37.0 14.3 36.2 -23.1 320 114 B Y H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.955 113.6 47.2 -67.8 -52.6 14.6 32.7 -24.4 321 115 B V H X S+ 0 0 15 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.901 110.9 53.5 -55.5 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