==== 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 04-APR-03 1OYK . 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) . 22234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 75.5 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 . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 5 0 1 1 4 1 0 2 3 2 0 0 2 0 0 0 0 0 0 0 1 1 0 0 0 2 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 10 A P 0 0 96 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.2 4.5 35.0 1.1 2 11 A Q + 0 0 174 1,-0.2 2,-0.5 0, 0.0 3,-0.1 0.283 360.0 81.4-151.4 -0.7 7.1 33.9 -1.5 3 12 A D > - 0 0 61 1,-0.1 4,-2.9 0, 0.0 5,-0.2 -0.964 69.3-142.5-116.5 125.0 8.5 30.7 0.0 4 13 A L H > S+ 0 0 8 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.908 107.2 51.3 -48.6 -43.5 6.6 27.4 -0.5 5 14 A S H > S+ 0 0 14 169,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.914 111.3 43.6 -61.2 -48.1 7.7 26.7 3.1 6 15 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.822 110.7 59.0 -68.6 -30.3 6.4 29.9 4.6 7 16 A A H X S+ 0 0 9 -4,-2.9 4,-3.4 2,-0.2 -2,-0.2 0.983 109.9 39.6 -61.2 -58.3 3.2 29.6 2.5 8 17 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.934 110.7 57.0 -57.5 -53.6 2.2 26.3 4.0 9 18 A K H < S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 118.6 34.2 -42.2 -54.3 3.2 27.0 7.6 10 19 A E H >< S+ 0 0 126 -4,-1.7 3,-2.3 1,-0.2 4,-0.4 0.929 112.8 59.0 -68.8 -51.3 0.9 30.0 7.6 11 20 A A H 3< S+ 0 0 26 -4,-3.4 4,-0.3 1,-0.3 3,-0.3 0.829 112.6 40.2 -49.5 -39.8 -1.8 28.6 5.3 12 21 A T T 3X S+ 0 0 4 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.3 0.151 83.0 106.8 -99.8 19.0 -2.4 25.8 7.8 13 22 A K H <> S+ 0 0 158 -3,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.946 84.8 40.8 -60.4 -50.0 -2.1 27.8 10.9 14 23 A E H >> S+ 0 0 131 -4,-0.4 4,-1.8 -3,-0.3 3,-0.9 0.984 114.5 48.1 -63.2 -62.9 -5.8 27.8 11.6 15 24 A V H 3> S+ 0 0 10 -4,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.843 105.9 61.4 -48.8 -36.8 -6.6 24.1 10.7 16 25 A H H 3X S+ 0 0 88 -4,-1.8 4,-2.8 1,-0.2 -1,-0.3 0.942 103.4 49.2 -56.4 -46.3 -3.6 23.1 12.8 17 26 A T H < S+ 0 0 14 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.945 109.8 49.4 -65.9 -50.1 -6.3 19.6 14.9 20 29 A E H 3< S+ 0 0 77 -4,-2.8 -2,-0.2 1,-0.3 9,-0.2 0.916 109.7 52.6 -53.8 -48.6 -4.9 20.3 18.3 21 30 A N T 3< S+ 0 0 85 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.431 77.3 132.1 -71.9 -1.5 -8.3 21.0 19.8 22 31 A A X> - 0 0 8 -3,-1.5 4,-2.6 -4,-0.3 3,-0.7 -0.230 69.3-119.0 -54.2 140.6 -9.8 17.7 18.6 23 32 A E H 3> S+ 0 0 113 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.759 116.0 42.7 -51.2 -29.4 -11.7 15.9 21.4 24 33 A F H 34 S+ 0 0 7 2,-0.2 4,-0.4 3,-0.1 -1,-0.3 0.693 114.0 49.5 -92.3 -23.4 -9.2 13.0 21.1 25 34 A M H <> S+ 0 0 38 -3,-0.7 4,-1.9 -6,-0.2 -2,-0.2 0.737 112.9 47.0 -86.6 -25.7 -6.1 15.1 20.7 26 35 A R H X S+ 0 0 142 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.840 107.4 54.6 -83.6 -36.9 -7.0 17.2 23.8 27 36 A N H <>S+ 0 0 36 -4,-0.9 5,-3.9 -5,-0.3 -1,-0.2 0.754 111.9 49.2 -65.7 -23.3 -7.8 14.2 26.0 28 37 A F H >45S+ 0 0 21 -4,-0.4 3,-2.7 3,-0.2 5,-0.2 0.936 107.1 50.7 -78.9 -52.8 -4.4 13.0 25.0 29 38 A Q H 3<5S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.855 110.4 51.4 -53.3 -37.0 -2.6 16.3 25.8 30 39 A K T 3<5S- 0 0 171 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.107 121.0-118.1 -86.8 20.4 -4.3 16.1 29.2 31 40 A G T < 5S+ 0 0 32 -3,-2.7 -3,-0.2 1,-0.1 -2,-0.1 0.751 76.3 125.4 47.7 40.0 -2.9 12.6 29.4 32 41 A Q < + 0 0 120 -5,-3.9 2,-0.6 -6,-0.1 -4,-0.2 -0.195 28.5 127.3-119.3 44.3 -6.2 10.7 29.5 33 42 A V - 0 0 17 -5,-0.2 -9,-0.0 -6,-0.0 -5,-0.0 -0.883 50.4-137.8-104.7 121.4 -5.9 8.2 26.6 34 43 A T > - 0 0 78 -2,-0.6 4,-2.8 1,-0.1 3,-0.5 -0.275 28.7-105.6 -72.7 158.9 -6.5 4.5 27.3 35 44 A R H > S+ 0 0 106 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.799 123.6 59.4 -52.3 -27.9 -4.3 1.8 25.9 36 45 A D H > S+ 0 0 111 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.919 107.9 40.5 -67.6 -48.3 -7.4 1.2 23.7 37 46 A G H >> S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 3,-0.7 0.908 116.0 50.4 -68.5 -41.8 -7.3 4.7 22.1 38 47 A F H 3X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.864 107.3 55.3 -62.7 -35.4 -3.5 4.7 21.9 39 48 A K H 3X S+ 0 0 42 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.3 0.719 105.9 54.6 -69.8 -20.9 -3.8 1.3 20.2 40 49 A L H > S- 0 0 31 -3,-0.5 4,-3.6 1,-0.1 3,-1.4 -0.360 70.4-133.5 -66.0 141.1 9.9 11.9 -10.2 63 72 A P T 34 S+ 0 0 110 0, 0.0 118,-0.3 0, 0.0 -1,-0.1 0.806 105.5 63.7 -63.7 -28.1 11.0 15.6 -10.5 64 73 A V T 34 S+ 0 0 45 1,-0.1 57,-0.2 2,-0.1 -4,-0.1 0.637 124.6 10.7 -72.2 -13.9 7.8 16.5 -8.6 65 74 A F T X4 S+ 0 0 2 -3,-1.4 3,-3.1 -6,-0.3 4,-0.3 0.643 98.5 92.1-132.5 -35.4 9.0 14.6 -5.5 66 75 A A G >< S+ 0 0 36 -4,-3.6 3,-2.5 -7,-0.4 -2,-0.1 0.787 81.6 64.9 -33.2 -49.9 12.6 13.5 -5.8 67 76 A P G 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 109,-0.1 0.717 108.5 39.5 -52.0 -24.8 13.9 16.7 -4.1 68 77 A V G < S+ 0 0 3 -3,-3.1 2,-0.9 108,-0.1 -2,-0.2 0.187 83.7 127.3-111.6 16.8 12.1 15.7 -0.8 69 78 A Y < + 0 0 55 -3,-2.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.659 19.3 152.8 -79.6 106.1 13.0 12.0 -1.0 70 79 A F >> + 0 0 22 -2,-0.9 4,-2.6 1,-0.1 5,-0.5 -0.487 6.1 165.1-133.9 64.2 14.6 11.0 2.3 71 80 A P H >5S+ 0 0 41 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.872 78.2 40.6 -47.4 -52.8 13.9 7.3 2.8 72 81 A E H 45S+ 0 0 119 1,-0.2 90,-0.3 2,-0.2 91,-0.1 0.948 116.8 49.3 -65.5 -47.1 16.5 6.6 5.6 73 82 A E H 45S+ 0 0 61 1,-0.1 89,-0.3 89,-0.1 -1,-0.2 0.896 131.4 8.7 -58.5 -46.1 15.9 9.9 7.4 74 83 A L H <5S+ 0 0 4 -4,-2.6 -2,-0.2 88,-0.1 -1,-0.1 0.822 77.8 126.2-110.5 -41.1 12.1 9.6 7.5 75 84 A H << + 0 0 64 -4,-1.1 4,-0.1 -5,-0.5 -26,-0.0 0.141 28.2 178.9 -26.6 127.6 10.5 6.3 6.4 76 85 A R > + 0 0 11 -27,-0.2 4,-2.5 2,-0.1 3,-0.4 0.531 50.3 99.4-115.7 -10.8 8.3 5.1 9.3 77 86 A K H > S+ 0 0 81 1,-0.2 4,-1.9 -28,-0.2 5,-0.1 0.874 89.6 41.7 -42.5 -54.8 6.7 1.9 8.0 78 87 A A H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.820 112.6 55.5 -64.5 -35.2 9.2 -0.4 9.9 79 88 A A H > S+ 0 0 13 -3,-0.4 4,-2.3 2,-0.2 78,-0.4 0.938 111.1 43.3 -62.4 -49.9 9.0 1.8 13.0 80 89 A L H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 -2,-0.2 0.821 110.5 56.2 -65.7 -36.2 5.2 1.4 13.2 81 90 A E H X S+ 0 0 63 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.940 108.6 47.5 -62.7 -47.5 5.3 -2.3 12.4 82 91 A Q H >X S+ 0 0 138 -4,-2.2 4,-1.3 2,-0.2 3,-0.6 0.971 115.7 44.8 -57.1 -53.2 7.6 -2.8 15.4 83 92 A D H >X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.932 110.9 53.1 -55.4 -51.5 5.2 -0.8 17.6 84 93 A L H 3X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.3 5,-0.4 0.754 102.8 58.3 -58.9 -27.2 2.1 -2.5 16.2 85 94 A A H < - 0 0 19 -4,-1.6 3,-3.2 -5,-0.4 -1,-0.2 -0.254 52.0 -51.3 102.8 167.8 0.6 -9.1 19.4 90 99 A P T 3 S+ 0 0 131 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.594 137.4 58.6 -53.9 -9.0 2.4 -11.2 16.8 91 100 A R T >> + 0 0 166 -3,-0.3 3,-2.8 -6,-0.2 4,-1.8 0.308 65.7 120.9-103.7 7.1 -1.0 -11.3 15.0 92 101 A W H <> + 0 0 30 -3,-3.2 4,-1.9 1,-0.3 -1,-0.2 0.791 69.2 61.6 -41.4 -40.1 -1.4 -7.5 14.6 93 102 A Q H 34 S+ 0 0 106 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.870 113.3 37.3 -58.6 -33.1 -1.6 -7.9 10.9 94 103 A E H <4 S+ 0 0 139 -3,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.907 124.5 37.1 -84.1 -44.8 -4.7 -10.0 11.4 95 104 A V H < S+ 0 0 79 -4,-1.8 -3,-0.2 -6,-0.1 -2,-0.2 0.915 84.4 106.2 -76.0 -48.7 -6.3 -8.2 14.4 96 105 A I < - 0 0 17 -4,-1.9 -56,-0.1 -5,-0.2 2,-0.1 0.031 68.4-119.7 -40.2 137.3 -5.6 -4.4 13.8 97 106 A P - 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.269 14.7-157.6 -77.2 162.3 -8.7 -2.4 12.7 98 107 A Y - 0 0 100 -2,-0.1 -54,-0.1 -51,-0.0 5,-0.0 -0.654 20.9-166.9-145.5 80.5 -9.1 -0.4 9.4 99 108 A T > - 0 0 17 -2,-0.2 4,-2.5 1,-0.1 3,-0.5 -0.122 33.2-110.7 -69.5 162.7 -11.8 2.3 9.9 100 109 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.727 120.1 55.2 -66.1 -23.5 -13.5 4.4 7.3 101 110 A A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 103,-0.1 0.738 110.5 47.2 -79.5 -24.2 -11.7 7.6 8.5 102 111 A M H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.891 109.9 53.5 -78.6 -42.7 -8.5 5.6 7.9 103 112 A Q H X S+ 0 0 91 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.845 106.7 50.8 -60.6 -38.4 -9.8 4.5 4.5 104 113 A R H X S+ 0 0 128 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.975 110.7 48.5 -64.8 -50.4 -10.4 8.0 3.3 105 114 A Y H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.873 115.1 44.7 -54.8 -43.4 -7.0 9.2 4.3 106 115 A V H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.860 113.3 51.9 -69.2 -38.3 -5.4 6.2 2.5 107 116 A K H X S+ 0 0 134 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.873 109.2 48.0 -66.2 -41.8 -7.6 6.7 -0.5 108 117 A R H X S+ 0 0 55 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.939 107.8 57.9 -64.1 -45.8 -6.7 10.3 -0.9 109 118 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.882 110.7 41.5 -49.3 -48.7 -3.1 9.4 -0.5 110 119 A H H X S+ 0 0 28 -4,-1.8 4,-1.3 2,-0.2 5,-0.3 0.879 109.8 55.2 -73.4 -38.7 -3.2 7.1 -3.5 111 120 A E H >X>S+ 0 0 67 -4,-2.1 4,-3.3 1,-0.2 5,-0.9 0.957 115.1 42.8 -56.9 -47.3 -5.4 9.3 -5.8 112 121 A V H 3X5S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 8,-0.3 0.928 109.0 58.5 -63.0 -46.0 -2.7 11.9 -5.2 113 122 A G H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.694 121.8 23.7 -59.7 -18.9 0.1 9.4 -5.7 114 123 A R H <<5S+ 0 0 139 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.725 136.3 23.5-118.7 -32.5 -1.1 8.5 -9.2 115 124 A T H <5S+ 0 0 100 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.631 134.0 28.1-109.8 -16.6 -3.1 11.4 -10.6 116 125 A E ><< + 0 0 52 -4,-1.1 3,-2.1 -5,-0.9 4,-0.4 -0.269 64.9 151.3-141.1 52.8 -1.8 14.3 -8.6 117 126 A P G >> + 0 0 21 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.793 67.1 72.3 -53.4 -35.7 1.8 13.5 -7.6 118 127 A E G 34 S+ 0 0 53 1,-0.3 4,-0.1 2,-0.2 3,-0.1 0.666 100.3 50.2 -55.9 -15.5 2.8 17.2 -7.5 119 128 A L G X> S+ 0 0 1 -3,-2.1 3,-2.0 -7,-0.3 4,-0.9 0.618 81.6 88.5 -97.7 -19.4 0.7 17.2 -4.3 120 129 A L H X> S+ 0 0 0 -3,-1.6 4,-2.4 -4,-0.4 3,-0.8 0.859 81.1 66.3 -46.1 -37.2 2.3 14.2 -2.6 121 130 A V H 3X S+ 0 0 1 -4,-0.6 4,-2.9 1,-0.3 -1,-0.3 0.815 91.7 59.4 -56.4 -35.9 4.7 16.7 -1.2 122 131 A A H <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.865 110.5 42.1 -63.3 -37.6 2.0 18.4 0.9 123 132 A H H S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.7 0.966 113.2 49.0 -53.1 -52.1 4.9 14.2 3.1 125 134 A Y H X>S+ 0 0 28 -4,-2.9 4,-1.0 1,-0.2 5,-0.8 0.887 112.9 46.2 -52.7 -47.5 5.4 17.7 4.6 126 135 A T H <5S+ 0 0 13 -4,-1.8 4,-0.3 3,-0.2 5,-0.3 0.918 120.0 37.8 -66.1 -45.2 2.4 17.4 6.9 127 136 A R H X5S+ 0 0 27 -4,-3.1 4,-2.6 3,-0.2 -2,-0.2 0.985 128.5 29.3 -70.4 -60.5 3.3 13.9 8.2 128 137 A Y H <5S+ 0 0 7 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.942 127.4 39.5 -69.3 -51.8 7.0 14.1 8.4 129 138 A L T >X> + 0 0 11 -3,-0.3 4,-0.6 -4,-0.1 -4,-0.1 0.384 68.5 74.3-117.9 -2.6 7.1 14.6 18.4 136 145 A Q H > S+ 0 0 107 2,-0.2 4,-3.7 3,-0.2 3,-0.3 0.931 99.0 41.3 -75.1 -52.3 8.5 15.3 21.9 137 146 A V H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.894 111.6 57.3 -63.9 -41.4 5.2 16.2 23.6 138 147 A L H 4 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.812 116.0 37.8 -58.5 -29.5 3.5 13.4 21.8 139 148 A K H X S+ 0 0 76 -4,-0.6 4,-3.4 -3,-0.3 -2,-0.2 0.886 112.4 56.5 -86.5 -46.7 6.1 11.2 23.4 140 149 A K H X S+ 0 0 101 -4,-3.7 4,-1.7 1,-0.2 -2,-0.2 0.891 116.8 34.9 -52.0 -49.4 6.2 12.9 26.8 141 150 A I H X S+ 0 0 29 -4,-2.7 4,-1.8 2,-0.2 5,-0.3 0.771 114.6 58.6 -78.8 -28.1 2.5 12.5 27.4 142 151 A A H > S+ 0 0 0 -5,-0.5 4,-1.0 -4,-0.4 5,-0.4 0.950 109.3 46.1 -63.7 -48.0 2.5 9.1 25.7 143 152 A Q H X S+ 0 0 88 -4,-3.4 4,-1.7 2,-0.1 5,-0.3 0.977 118.2 37.3 -56.6 -68.2 5.1 7.9 28.2 144 153 A K H < S+ 0 0 139 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.940 117.9 50.5 -52.5 -57.5 3.6 9.1 31.4 145 154 A A H < S+ 0 0 32 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.950 114.7 36.4 -46.2 -83.8 -0.1 8.5 30.5 146 155 A L H < S- 0 0 19 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.784 82.4-168.8 -42.6 -37.1 -0.1 4.9 29.3 147 156 A D < - 0 0 130 -4,-1.7 -3,-0.1 -5,-0.4 -1,-0.1 0.909 15.7-179.6 39.6 57.5 2.5 4.0 31.9 148 157 A L - 0 0 30 -5,-0.3 -1,-0.1 1,-0.2 -2,-0.0 -0.294 34.9 -81.5 -76.2 169.2 3.1 0.6 30.3 149 158 A P - 0 0 89 0, 0.0 2,-1.5 0, 0.0 3,-0.4 0.110 57.4 -79.1 -61.7-172.5 5.6 -1.7 31.9 150 159 A S S S+ 0 0 136 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 -0.336 85.5 131.9 -85.2 54.0 9.4 -1.4 31.3 151 160 A S - 0 0 39 -2,-1.5 -1,-0.2 2,-0.1 3,-0.1 0.747 56.1-145.2 -79.5 -26.2 8.9 -3.2 27.9 152 161 A G + 0 0 76 -3,-0.4 2,-0.3 1,-0.2 -2,-0.1 0.884 63.5 90.4 61.5 40.4 11.0 -0.7 25.9 153 162 A E + 0 0 118 -70,-0.0 -1,-0.2 2,-0.0 -2,-0.1 -0.966 47.6 59.1-155.2 167.3 8.7 -1.1 22.8 154 163 A G S S+ 0 0 1 -2,-0.3 3,-0.1 -75,-0.2 -71,-0.1 0.233 94.9 67.5 94.8 -15.1 5.7 0.4 21.1 155 164 A L > + 0 0 27 1,-0.1 3,-2.3 2,-0.1 4,-0.2 0.269 55.5 112.7-121.5 11.0 6.9 4.0 20.7 156 165 A A G > + 0 0 44 1,-0.3 3,-3.1 -77,-0.2 -76,-0.2 0.851 66.0 75.4 -50.3 -38.0 9.7 3.6 18.1 157 166 A F G 3 S+ 0 0 6 -78,-0.4 -1,-0.3 1,-0.3 -77,-0.1 0.752 91.1 57.0 -46.4 -29.2 7.5 5.6 15.7 158 167 A F G < S+ 0 0 30 -3,-2.3 2,-0.6 1,-0.1 -1,-0.3 0.496 93.7 75.5 -86.0 -3.9 8.4 8.7 17.6 159 168 A T < - 0 0 69 -3,-3.1 3,-0.1 -4,-0.2 -1,-0.1 -0.895 57.6-165.4-117.6 110.3 12.1 8.4 17.3 160 169 A F > - 0 0 30 -2,-0.6 3,-1.3 1,-0.2 -3,-0.1 -0.736 12.9-179.0 -85.8 93.7 13.8 9.2 14.0 161 170 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -88,-0.1 0.801 73.5 63.4 -66.2 -27.5 17.2 7.6 14.8 162 171 A N T 3 S+ 0 0 82 -90,-0.3 2,-0.5 -89,-0.3 -89,-0.1 0.303 91.9 72.0 -82.6 9.9 18.7 8.6 11.4 163 172 A I < + 0 0 25 -3,-1.3 3,-0.2 1,-0.2 -3,-0.1 -0.964 51.8 178.7-127.3 114.4 18.4 12.3 12.2 164 173 A A S S+ 0 0 114 -2,-0.5 2,-0.6 1,-0.3 -1,-0.2 0.964 80.0 34.8 -75.5 -56.2 20.8 13.8 14.7 165 174 A S > - 0 0 30 1,-0.2 4,-1.6 2,-0.0 -1,-0.3 -0.889 58.0-176.2-104.7 117.8 19.6 17.4 14.4 166 175 A A H > S+ 0 0 40 -2,-0.6 4,-3.0 2,-0.2 5,-0.3 0.901 88.2 60.4 -73.0 -40.5 15.9 17.8 13.7 167 176 A T H > S+ 0 0 104 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.944 108.1 40.0 -49.6 -60.0 16.7 21.5 13.5 168 177 A K H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 116.1 51.1 -62.3 -38.0 19.1 21.2 10.6 169 178 A F H X S+ 0 0 16 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.900 106.1 52.3 -66.6 -44.1 17.0 18.6 8.8 170 179 A K H X S+ 0 0 38 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.788 112.0 51.3 -61.6 -24.1 13.7 20.5 8.9 171 180 A Q H X S+ 0 0 127 -4,-1.0 4,-1.8 -5,-0.3 -2,-0.2 0.853 108.2 47.9 -80.8 -37.4 15.9 23.2 7.4 172 181 A L H X S+ 0 0 66 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.872 112.4 51.7 -69.7 -36.7 17.2 21.0 4.6 173 182 A Y H X S+ 0 0 5 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 108.6 47.8 -67.3 -47.2 13.7 19.9 3.9 174 183 A R H X S+ 0 0 78 -4,-1.7 4,-3.1 2,-0.2 -169,-0.3 0.914 112.2 52.2 -60.9 -39.0 12.2 23.4 3.6 175 184 A S H X S+ 0 0 70 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.951 110.9 46.6 -59.5 -49.7 15.2 24.3 1.4 176 185 A R H < S+ 0 0 89 -4,-2.6 3,-0.3 2,-0.2 -2,-0.2 0.842 113.8 48.0 -61.5 -37.8 14.4 21.3 -0.8 177 186 A M H >< S+ 0 0 1 -4,-2.7 3,-4.2 1,-0.2 -2,-0.2 0.987 107.3 54.2 -66.0 -56.7 10.7 22.1 -0.9 178 187 A N H 3< S+ 0 0 55 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.648 106.2 57.3 -50.8 -13.7 11.4 25.7 -1.8 179 188 A S T 3< S+ 0 0 72 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.3 0.493 80.3 113.1 -97.3 -4.8 13.4 24.3 -4.6 180 189 A L < - 0 0 15 -3,-4.2 2,-0.4 -4,-0.2 -116,-0.1 -0.545 68.4-128.1 -73.9 125.8 10.4 22.3 -6.1 181 190 A E + 0 0 181 -2,-0.4 2,-0.3 -118,-0.3 -1,-0.1 -0.593 42.9 153.6 -76.2 124.4 9.3 23.6 -9.5 182 191 A M - 0 0 34 -2,-0.4 -2,-0.0 4,-0.0 -118,-0.0 -0.955 42.5-115.8-158.4 137.1 5.6 24.3 -9.7 183 192 A T > - 0 0 79 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.326 41.1-105.2 -66.9 148.3 3.2 26.5 -11.6 184 193 A P H > S+ 0 0 113 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.811 123.4 52.2 -42.2 -38.7 1.3 29.2 -9.6 185 194 A A H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.982 109.1 46.8 -63.7 -58.9 -1.8 27.0 -9.9 186 195 A V H > S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.887 110.0 55.3 -50.9 -44.9 -0.1 23.9 -8.6 187 196 A R H X S+ 0 0 60 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.940 107.7 47.3 -56.2 -49.9 1.4 25.9 -5.7 188 197 A Q H X S+ 0 0 115 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.779 114.7 48.9 -61.6 -28.4 -2.1 27.1 -4.6 189 198 A R H X S+ 0 0 94 -4,-1.7 4,-2.9 -3,-0.2 5,-0.2 0.916 107.4 52.1 -75.4 -50.5 -3.3 23.6 -4.9 190 199 A V H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.3 -2,-0.2 0.903 111.8 48.2 -52.9 -43.9 -0.5 22.0 -2.9 191 200 A I H X S+ 0 0 13 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.3 0.900 111.9 50.1 -63.4 -39.3 -1.2 24.6 -0.2 192 201 A E H X S+ 0 0 109 -4,-1.1 4,-1.9 1,-0.2 -2,-0.3 0.830 108.0 53.2 -67.1 -35.1 -4.8 23.6 -0.5 193 202 A E H X S+ 0 0 6 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.741 100.3 60.0 -73.8 -24.7 -3.9 19.9 -0.2 194 203 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.847 106.2 48.7 -69.7 -33.1 -2.0 20.6 3.0 195 204 A K H X S+ 0 0 53 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.950 107.8 54.4 -67.2 -47.9 -5.3 21.8 4.3 196 205 A T H X S+ 0 0 39 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.890 104.9 55.8 -49.9 -44.7 -6.9 18.6 2.9 197 206 A A H >X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 3,-0.6 0.959 107.3 46.5 -53.7 -57.3 -4.3 16.7 5.0 198 207 A F H 3X S+ 0 0 23 -4,-1.9 4,-3.4 1,-0.2 3,-0.3 0.895 109.7 54.3 -54.6 -43.3 -5.3 18.3 8.2 199 208 A L H 3X S+ 0 0 88 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.831 106.0 52.8 -62.0 -33.2 -9.0 17.7 7.6 200 209 A L H X S+ 0 0 22 -4,-2.5 4,-3.1 1,-0.2 3,-0.6 0.950 110.3 52.3 -52.1 -54.8 -9.5 11.8 15.6 206 215 A E H 3X S+ 0 0 112 -4,-1.9 4,-2.2 1,-0.3 5,-0.2 0.888 110.9 47.8 -49.7 -44.2 -13.3 12.4 15.7 207 216 A E H 3X S+ 0 0 16 -4,-1.5 4,-0.7 1,-0.2 -1,-0.3 0.803 112.0 48.9 -70.2 -28.4 -13.9 9.0 14.2 208 217 A L H X S+ 0 0 28 -4,-3.1 4,-1.9 2,-0.2 3,-1.4 0.976 105.8 46.2 -62.0 -61.5 -13.3 9.3 19.5 210 219 A E H 3< S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 110.0 61.3 -51.8 -28.2 -16.9 8.1 18.9 211 220 A L H 3< S+ 0 0 50 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.835 103.0 47.3 -68.3 -36.6 -15.2 4.7 18.6 212 221 A L H << S+ 0 0 58 -3,-1.4 2,-2.0 -4,-1.2 -2,-0.2 0.973 98.5 70.8 -69.3 -56.5 -13.9 4.8 22.1 213 222 A T < 0 0 94 -4,-1.9 -1,-0.2 0, 0.0 -4,-0.0 -0.423 360.0 360.0 -67.8 83.1 -17.2 5.9 23.7 214 223 A H 0 0 200 -2,-2.0 -3,-0.1 -3,-0.1 -2,-0.0 -0.700 360.0 360.0-143.6 360.0 -19.2 2.7 23.2 215 !* 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 76 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -5.6 4.1 33.9 56.8 217 11 B Q + 0 0 155 1,-0.1 2,-0.4 5,-0.0 3,-0.0 0.935 360.0 49.5 -76.3 -45.8 6.2 34.8 53.8 218 12 B D S >> S- 0 0 73 1,-0.1 4,-3.1 176,-0.0 3,-1.2 -0.787 89.9-128.8 -92.7 132.7 8.0 31.5 54.1 219 13 B L H 3> S+ 0 0 3 -2,-0.4 4,-3.6 1,-0.3 5,-0.2 0.846 110.9 58.7 -46.1 -37.8 5.8 28.4 54.5 220 14 B S H 3> S+ 0 0 15 169,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.879 111.5 37.9 -60.6 -42.8 8.0 27.6 57.5 221 15 B E H <> S+ 0 0 108 -3,-1.2 4,-2.7 2,-0.2 5,-0.4 0.870 115.7 53.3 -77.0 -38.3 7.1 30.8 59.3 222 16 B A H X S+ 0 0 3 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.945 114.4 44.0 -58.9 -47.1 3.6 30.7 58.0 223 17 B L H X S+ 0 0 0 -4,-3.6 4,-1.9 -5,-0.3 -2,-0.2 0.939 114.2 46.4 -63.9 -53.2 3.4 27.2 59.5 224 18 B K H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.918 118.9 41.2 -58.6 -46.4 5.0 27.9 62.8 225 19 B E H >< S+ 0 0 127 -4,-2.7 3,-1.3 1,-0.2 4,-0.4 0.899 112.3 56.1 -68.6 -40.6 3.0 31.1 63.4 226 20 B A H 3< S+ 0 0 29 -4,-2.4 4,-0.3 -5,-0.4 3,-0.3 0.833 114.5 38.6 -60.3 -34.6 -0.2 29.5 62.1 227 21 B T T 3X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.3 0.081 80.9 105.3-107.7 24.2 0.0 26.6 64.6 228 22 B K H <> S+ 0 0 145 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.916 85.0 46.3 -67.7 -42.2 1.3 28.4 67.7 229 23 B E H >> S+ 0 0 129 -4,-0.4 4,-1.8 -3,-0.3 3,-0.8 0.981 114.0 45.6 -62.6 -59.2 -2.1 28.2 69.4 230 24 B V H 3> S+ 0 0 4 -4,-0.3 4,-1.0 1,-0.3 -1,-0.2 0.742 108.3 58.3 -57.7 -25.2 -2.8 24.6 68.6 231 25 B H H 3X S+ 0 0 64 -4,-1.3 4,-1.8 2,-0.2 -1,-0.3 0.873 104.3 52.8 -72.2 -34.9 0.8 23.7 69.7 232 26 B T H < S+ 0 0 16 -4,-1.0 3,-0.6 -5,-0.2 6,-0.3 0.944 110.6 42.3 -72.6 -48.9 -1.0 20.0 72.8 235 29 B E H 3< S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 9,-0.1 0.974 113.2 51.7 -60.6 -57.3 1.5 20.7 75.5 236 30 B N T 3< S+ 0 0 87 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.634 83.4 121.2 -56.5 -14.2 -1.2 21.7 78.1 237 31 B A S <> S- 0 0 12 -3,-0.6 4,-2.7 -4,-0.4 3,-0.4 -0.340 72.3-126.8 -57.0 126.1 -2.9 18.4 77.2 238 32 B E H > S+ 0 0 130 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.852 107.1 48.6 -40.0 -56.1 -3.2 16.4 80.5 239 33 B F H > S+ 0 0 8 181,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.920 115.1 45.4 -55.9 -46.7 -1.6 13.3 79.1 240 34 B M H > S+ 0 0 37 -3,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.846 112.4 52.2 -66.1 -34.5 1.3 15.3 77.7 241 35 B R H < S+ 0 0 118 -4,-2.7 4,-0.3 2,-0.2 6,-0.2 0.880 108.5 49.5 -68.9 -40.0 1.6 17.3 80.9 242 36 B N H ><>S+ 0 0 36 -4,-2.8 5,-2.5 -5,-0.2 3,-0.8 0.910 114.0 47.3 -65.2 -40.7 1.8 14.1 83.0 243 37 B F H ><5S+ 0 0 8 -4,-2.0 3,-2.0 -5,-0.2 -2,-0.2 0.939 106.1 54.6 -66.5 -49.5 4.5 12.8 80.7 244 38 B Q T 3<5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.507 113.4 46.1 -66.5 -1.3 6.6 15.9 80.5 245 39 B K T < 5S- 0 0 109 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.045 126.2 -93.4-127.2 24.9 6.7 15.8 84.4 246 40 B G T < 5S+ 0 0 35 -3,-2.0 2,-1.2 1,-0.2 -3,-0.2 0.216 83.2 128.8 88.4 -15.1 7.5 12.1 84.9 247 41 B Q < + 0 0 107 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.625 30.9 119.8 -81.9 97.4 4.0 10.7 85.3 248 42 B V - 0 0 22 -2,-1.2 2,-0.0 112,-0.1 -9,-0.0 -0.839 47.1-146.1-161.2 117.4 3.7 7.8 82.8 249 43 B T > - 0 0 78 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.288 31.0-111.8 -77.8 167.2 3.0 4.1 83.5 250 44 B R H > S+ 0 0 165 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.876 124.4 50.7 -66.4 -34.6 4.5 1.3 81.5 251 45 B D H > S+ 0 0 103 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.702 109.6 51.8 -73.9 -20.0 1.0 0.7 80.2 252 46 B G H > S+ 0 0 0 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.880 110.3 45.3 -82.9 -41.3 0.8 4.3 79.3 253 47 B F H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.904 107.4 60.3 -66.3 -42.7 4.1 4.4 77.4 254 48 B K H X S+ 0 0 42 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.909 104.5 51.6 -49.2 -46.7 3.0 1.2 75.6 255 49 B L H X S+ 0 0 22 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.845 107.0 49.2 -62.5 -40.3 0.0 3.0 74.3 256 50 B V H X S+ 0 0 19 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.837 111.4 50.8 -71.1 -31.2 1.9 6.0 72.9 257 51 B M H X S+ 0 0 0 -4,-2.1 4,-2.4 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0.696 105.5 53.2 -83.4 -15.6 -7.4 4.9 63.5 319 113 B R H X S+ 0 0 123 -4,-0.8 4,-2.1 -3,-0.2 -2,-0.2 0.858 107.3 50.6 -81.9 -38.0 -8.9 8.3 62.7 320 114 B Y H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.912 111.8 48.9 -61.3 -43.7 -5.5 9.9 62.5 321 115 B V H X S+ 0 0 14 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.866 107.5 56.6 -62.4 -38.5 -4.5 7.0 60.2 322 116 B K H X S+ 0 0 127 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.900 107.0 46.3 -63.6 -43.1 -7.6 7.7 58.2 323 117 B R H X S+ 0 0 50 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.956 108.8 56.5 -65.8 -47.8 -6.8 11.3 57.5 324 118 B L H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.871 110.8 43.2 -48.9 -45.2 -3.2 10.4 56.5 325 119 B H H X S+ 0 0 40 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.857 112.0 54.1 -73.4 -32.3 -4.5 8.0 53.9 326 120 B E H X>S+ 0 0 60 -4,-2.0 4,-3.1 2,-0.2 5,-0.7 0.980 114.7 40.6 -61.7 -55.4 -7.1 10.5 52.7 327 121 B V H X5S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 7,-0.3 0.921 113.2 52.5 -58.7 -50.8 -4.4 13.1 52.2 328 122 B G H <5S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.854 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