==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JAN-10 3LGN . COMPND 2 MOLECULE: HEME-DEGRADING MONOOXYGENASE ISDI; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR G.N.UKPABI,M.E.P.MURPHY . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 71.7 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 . 79 36.1 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 . 1 0.5 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 . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 13.7 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+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 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 0 3 1 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 1 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 -1 A A 0 0 146 0, 0.0 2,-0.2 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 148.7 4.4 -4.2 -3.1 2 0 A H - 0 0 98 1,-0.1 103,-0.1 104,-0.0 104,-0.0 -0.457 360.0-118.2 -77.6 142.1 6.5 -5.3 -6.0 3 1 A M - 0 0 41 101,-0.5 101,-2.5 -2,-0.2 2,-0.4 -0.254 30.5-138.3 -62.3 162.9 6.2 -8.6 -7.8 4 2 A F E -AB 59 103A 5 55,-2.4 55,-2.9 99,-0.2 2,-0.4 -0.966 10.0-155.1-130.9 144.3 9.2 -10.9 -7.6 5 3 A M E -AB 58 102A 4 97,-2.7 97,-2.8 -2,-0.4 2,-0.4 -0.986 4.9-169.5-123.7 131.6 10.8 -13.1 -10.3 6 4 A A E -AB 57 101A 3 51,-2.2 51,-3.0 -2,-0.4 2,-0.4 -0.973 10.0-163.4-113.5 136.7 13.0 -16.2 -9.8 7 5 A E E -AB 56 100A 6 93,-3.0 93,-2.6 -2,-0.4 2,-0.5 -0.961 11.9-163.6-120.3 131.1 14.8 -17.7 -12.8 8 6 A N E -AB 55 99A 40 47,-2.2 47,-2.6 -2,-0.4 2,-0.6 -0.984 16.5-158.2-108.3 120.5 16.3 -21.1 -13.1 9 7 A R E -AB 54 98A 37 89,-2.9 89,-1.6 -2,-0.5 2,-0.5 -0.882 4.2-160.0-102.7 121.1 18.8 -21.1 -16.1 10 8 A L E -AB 53 97A 11 43,-3.4 43,-2.0 -2,-0.6 2,-0.6 -0.894 8.6-153.9-104.2 126.7 19.6 -24.5 -17.6 11 9 A Q E -AB 52 96A 48 85,-2.4 84,-2.4 -2,-0.5 85,-1.3 -0.896 29.1-173.3 -92.7 124.4 22.6 -25.1 -19.7 12 10 A L E -AB 51 94A 0 39,-2.9 39,-2.2 -2,-0.6 82,-0.2 -0.864 30.0 -96.0-124.1 151.6 21.8 -28.0 -22.0 13 11 A Q E > -A 50 0A 84 80,-2.3 3,-2.0 -2,-0.3 4,-0.2 -0.374 64.1 -81.0 -59.9 141.7 23.5 -30.2 -24.5 14 12 A K T 3 S+ 0 0 113 35,-0.5 -1,-0.1 1,-0.2 36,-0.1 -0.185 115.5 17.1 -48.1 129.8 22.9 -29.0 -28.1 15 13 A G T 3 S+ 0 0 48 -3,-0.1 4,-0.3 1,-0.0 -1,-0.2 0.334 97.8 98.1 91.7 -5.0 19.5 -30.0 -29.5 16 14 A S <> + 0 0 5 -3,-2.0 4,-1.9 1,-0.2 5,-0.2 0.407 49.4 96.1 -98.5 1.6 17.9 -30.9 -26.2 17 15 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 84.6 47.9 -57.0 -49.3 15.9 -27.6 -25.6 18 16 A E H > S+ 0 0 91 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.920 112.3 47.2 -63.6 -47.0 12.6 -28.8 -27.0 19 17 A E H > S+ 0 0 113 -4,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.871 113.8 50.2 -60.9 -37.6 12.5 -32.2 -25.2 20 18 A T H >< S+ 0 0 2 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.915 106.5 54.0 -66.6 -44.4 13.4 -30.4 -21.9 21 19 A I H >< S+ 0 0 8 -4,-2.6 3,-2.0 1,-0.3 4,-0.2 0.875 99.2 63.0 -59.2 -37.5 10.7 -27.7 -22.4 22 20 A E H >< S+ 0 0 108 -4,-1.8 3,-1.3 1,-0.3 4,-0.3 0.744 89.3 69.6 -59.9 -24.2 8.0 -30.5 -22.8 23 21 A R T << S+ 0 0 112 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.590 96.0 55.2 -69.2 -11.0 8.8 -31.6 -19.2 24 22 A F T < S+ 0 0 47 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.448 79.4 90.4-101.8 -4.0 7.2 -28.4 -18.0 25 23 A Y S < S+ 0 0 104 -3,-1.3 2,-0.5 -4,-0.2 -1,-0.1 0.852 81.3 62.4 -60.9 -37.5 3.8 -28.8 -19.7 26 24 A N S S- 0 0 125 -4,-0.3 2,-0.1 -3,-0.2 -1,-0.1 -0.801 85.6-126.1 -99.5 127.8 2.3 -30.7 -16.7 27 25 A R - 0 0 58 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.370 18.6-171.8 -70.3 146.5 1.9 -28.9 -13.3 28 26 A Q - 0 0 93 -2,-0.1 49,-0.3 -4,-0.1 -1,-0.1 -0.091 67.6 -62.6-132.9 32.2 3.4 -30.6 -10.2 29 27 A G S > S+ 0 0 9 47,-0.1 3,-2.4 48,-0.1 4,-0.3 0.111 100.7 111.5 117.7 -20.3 2.0 -28.4 -7.4 30 28 A I G > S+ 0 0 11 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.833 75.5 64.3 -55.4 -31.4 3.5 -24.9 -8.0 31 29 A E G 3 S+ 0 0 58 1,-0.3 -1,-0.3 188,-0.0 5,-0.0 0.639 93.6 62.2 -67.4 -14.4 -0.1 -23.7 -8.8 32 30 A T G < S+ 0 0 92 -3,-2.4 2,-0.5 2,-0.1 -1,-0.3 0.471 80.6 106.2 -89.0 -4.2 -1.2 -24.5 -5.2 33 31 A I S X S- 0 0 21 -3,-1.7 3,-1.9 -4,-0.3 2,-0.2 -0.662 76.4-121.8 -84.1 124.5 1.3 -22.0 -3.7 34 32 A E T 3 S+ 0 0 148 -2,-0.5 33,-0.1 1,-0.2 34,-0.1 -0.477 100.7 25.4 -59.6 124.0 -0.2 -18.8 -2.3 35 33 A G T 3 S+ 0 0 8 1,-0.4 25,-2.4 -2,-0.2 2,-0.3 0.135 85.7 129.1 103.6 -19.9 1.5 -16.0 -4.2 36 34 A F E < +C 59 0A 6 -3,-1.9 -1,-0.4 23,-0.2 23,-0.2 -0.537 21.8 159.2 -69.2 132.8 2.4 -17.9 -7.4 37 35 A Q E - 0 0 60 21,-2.5 183,-2.4 1,-0.3 2,-0.3 0.771 49.5 -3.8-118.4 -55.4 1.2 -16.0 -10.5 38 36 A Q E -CD 58 219A 7 20,-1.5 20,-3.1 181,-0.2 -1,-0.3 -0.976 43.9-160.0-146.9 151.6 2.9 -16.9 -13.7 39 37 A M E -CD 57 218A 5 179,-2.5 179,-2.0 -2,-0.3 2,-0.4 -0.999 4.0-171.5-135.6 144.7 5.6 -19.0 -15.4 40 38 A F E -CD 56 217A 3 16,-2.3 16,-3.1 -2,-0.3 2,-0.5 -0.991 6.9-161.4-125.5 138.4 7.5 -18.7 -18.7 41 39 A V E -CD 55 216A 0 175,-2.6 174,-1.9 -2,-0.4 175,-1.5 -0.987 22.7-174.8-120.7 118.8 9.8 -21.4 -20.1 42 40 A T E -CD 54 214A 0 12,-2.5 12,-1.7 -2,-0.5 2,-0.5 -0.796 25.9-146.4-119.6 153.6 12.1 -20.0 -22.9 43 41 A K E -CD 53 213A 51 170,-2.5 170,-2.3 -2,-0.3 2,-0.2 -0.988 29.7-126.0-114.2 127.0 14.7 -21.1 -25.4 44 42 A T E - D 0 212A 8 8,-2.3 2,-0.8 -2,-0.5 8,-0.3 -0.509 15.7-137.7 -71.9 134.8 17.5 -18.6 -26.1 45 43 A L + 0 0 72 166,-3.0 166,-0.4 -2,-0.2 2,-0.2 -0.859 55.3 107.4 -96.0 108.7 17.9 -17.8 -29.8 46 44 A N S S- 0 0 74 -2,-0.8 164,-0.0 2,-0.1 166,-0.0 -0.864 74.2-103.7-158.7-169.0 21.7 -17.7 -30.5 47 45 A T + 0 0 137 -2,-0.2 -2,-0.0 0, 0.0 2,-0.0 0.086 66.8 134.2-118.8 23.4 24.5 -19.6 -32.2 48 46 A E - 0 0 118 2,-0.2 -2,-0.1 1,-0.1 4,-0.1 -0.230 65.7-116.8 -73.9 162.2 26.2 -21.1 -29.1 49 47 A D S S+ 0 0 146 -35,-0.1 -35,-0.5 2,-0.1 2,-0.3 0.574 97.1 53.5 -75.7 -13.3 27.4 -24.7 -28.8 50 48 A T E S-A 13 0A 48 -37,-0.1 2,-0.2 -36,-0.1 -37,-0.2 -0.850 84.1-119.5-118.6 155.0 24.9 -25.4 -25.9 51 49 A D E -A 12 0A 4 -39,-2.2 -39,-2.9 -2,-0.3 2,-0.4 -0.628 24.4-150.6 -85.8 155.1 21.2 -24.9 -25.7 52 50 A E E -A 11 0A 30 -8,-0.3 -8,-2.3 -2,-0.2 2,-0.4 -0.971 13.8-178.6-133.9 120.6 19.8 -22.6 -23.0 53 51 A V E -AC 10 43A 0 -43,-2.0 -43,-3.4 -2,-0.4 2,-0.4 -0.965 8.3-162.3-117.0 130.9 16.4 -22.9 -21.3 54 52 A K E -AC 9 42A 5 -12,-1.7 -12,-2.5 -2,-0.4 2,-0.6 -0.929 8.1-156.9-114.0 137.3 15.2 -20.5 -18.7 55 53 A I E -AC 8 41A 15 -47,-2.6 -47,-2.2 -2,-0.4 2,-0.6 -0.946 15.3-168.8-112.3 107.5 12.3 -21.1 -16.3 56 54 A L E -AC 7 40A 7 -16,-3.1 -16,-2.3 -2,-0.6 2,-0.4 -0.873 2.0-170.5-103.3 121.9 10.9 -17.7 -15.1 57 55 A T E -AC 6 39A 7 -51,-3.0 -51,-2.2 -2,-0.6 2,-0.4 -0.944 7.0-154.9-116.8 134.8 8.5 -17.7 -12.2 58 56 A I E +AC 5 38A 0 -20,-3.1 -21,-2.5 -2,-0.4 -20,-1.5 -0.935 17.2 178.8-116.8 131.2 6.6 -14.7 -11.2 59 57 A W E -AC 4 36A 0 -55,-2.9 -55,-2.4 -2,-0.4 -23,-0.2 -0.870 42.6-122.6-131.7 155.7 5.3 -14.2 -7.6 60 58 A E S S- 0 0 96 -25,-2.4 2,-0.3 -2,-0.3 -24,-0.1 0.788 99.3 -2.8 -64.9 -27.4 3.4 -11.7 -5.5 61 59 A S > - 0 0 32 -26,-0.2 4,-1.4 -57,-0.1 -1,-0.2 -0.987 66.5-112.5-158.0 159.1 6.5 -11.6 -3.2 62 60 A E H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.825 117.5 61.8 -61.5 -33.9 9.9 -13.1 -2.6 63 61 A D H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 100.6 52.8 -57.5 -44.2 8.4 -14.7 0.5 64 62 A S H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 110.1 47.1 -58.8 -46.3 6.0 -16.7 -1.7 65 63 A F H X S+ 0 0 9 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.926 110.1 53.0 -60.9 -46.1 8.8 -18.0 -3.8 66 64 A N H X S+ 0 0 49 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.889 106.5 53.7 -57.9 -40.6 10.8 -19.0 -0.6 67 65 A N H < S+ 0 0 103 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.901 111.7 45.0 -58.6 -44.8 7.8 -20.9 0.6 68 66 A W H >< S+ 0 0 28 -4,-1.8 3,-2.0 1,-0.2 6,-0.5 0.935 108.5 56.1 -65.4 -46.2 7.6 -22.8 -2.6 69 67 A L H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.852 114.4 40.1 -55.6 -35.9 11.4 -23.5 -2.7 70 68 A N T 3< S+ 0 0 138 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.305 99.6 110.3 -93.5 7.0 11.2 -25.1 0.8 71 69 A S S <> S- 0 0 26 -3,-2.0 4,-1.4 -4,-0.1 5,-0.1 -0.358 76.9-120.5 -88.5 161.3 7.9 -26.9 0.1 72 70 A D H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.858 113.1 58.1 -60.2 -38.4 7.0 -30.6 -0.4 73 71 A V H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 101.8 53.8 -66.7 -34.2 5.7 -29.8 -3.9 74 72 A F H > S+ 0 0 52 -6,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.943 110.5 47.4 -60.3 -47.9 9.0 -28.4 -5.0 75 73 A K H X S+ 0 0 143 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.915 112.1 50.0 -58.9 -45.8 10.7 -31.7 -3.8 76 74 A E H >< S+ 0 0 100 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.935 109.0 51.0 -59.5 -47.7 8.1 -33.8 -5.6 77 75 A A H 3< S+ 0 0 19 -4,-2.6 3,-0.2 -49,-0.3 -1,-0.2 0.824 120.1 36.1 -59.4 -32.5 8.4 -31.9 -8.9 78 76 A H H >< S+ 0 0 69 -4,-1.5 3,-1.6 -5,-0.2 -1,-0.2 0.429 83.1 103.4-104.4 -0.0 12.2 -32.3 -8.8 79 77 A K T << S+ 0 0 101 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.1 0.764 91.0 37.4 -61.1 -29.0 12.6 -35.8 -7.3 80 78 A N T 3 S+ 0 0 116 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.372 90.6 114.9-101.4 2.4 13.4 -37.5 -10.7 81 79 A V < + 0 0 53 -3,-1.6 2,-0.3 11,-0.0 -3,-0.0 -0.596 42.4 179.1 -76.6 127.6 15.5 -34.6 -12.1 82 80 A R - 0 0 79 -2,-0.4 12,-0.4 7,-0.1 2,-0.3 -0.945 22.7-135.9-126.7 152.5 19.1 -35.3 -12.7 83 81 A L > - 0 0 41 -2,-0.3 3,-1.9 1,-0.1 12,-0.2 -0.755 30.7-114.8 -96.0 152.6 22.1 -33.4 -14.0 84 82 A K T 3 S+ 0 0 76 10,-3.1 5,-0.2 -2,-0.3 11,-0.1 0.820 118.7 59.1 -49.8 -33.8 24.6 -35.0 -16.5 85 83 A S T 3 S+ 0 0 88 9,-0.4 -1,-0.3 10,-0.2 2,-0.1 0.589 84.6 101.3 -77.0 -14.1 27.1 -34.7 -13.6 86 84 A D S X S- 0 0 63 -3,-1.9 3,-1.9 1,-0.1 6,-0.1 -0.382 85.3-115.1 -70.2 152.4 25.1 -36.8 -11.2 87 85 A D T 3 S+ 0 0 161 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.836 120.1 32.6 -53.0 -38.0 26.1 -40.5 -10.7 88 86 A D T 3 S+ 0 0 84 1,-0.1 3,-0.4 -5,-0.1 -1,-0.3 0.003 90.9 104.4-109.5 26.0 22.8 -41.6 -12.2 89 87 A G X + 0 0 2 -3,-1.9 3,-1.4 -5,-0.2 -1,-0.1 0.065 35.1 122.4 -97.5 25.2 22.5 -38.7 -14.7 90 88 A Q T 3 S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.2 -6,-0.1 0.836 78.2 42.8 -55.5 -39.8 23.5 -40.7 -17.8 91 89 A Q T 3 S+ 0 0 180 -3,-0.4 -1,-0.3 -8,-0.1 -2,-0.1 0.459 92.8 107.1 -89.5 -0.3 20.3 -39.9 -19.7 92 90 A S < - 0 0 10 -3,-1.4 -9,-0.1 -9,-0.2 -3,-0.0 -0.649 47.8-169.5 -84.9 129.4 20.2 -36.2 -18.7 93 91 A P + 0 0 11 0, 0.0 -80,-2.3 0, 0.0 2,-0.8 0.406 58.5 111.4 -87.4 1.6 21.1 -33.5 -21.2 94 92 A I E +B 12 0A 8 -12,-0.4 -10,-3.1 -82,-0.2 -9,-0.4 -0.680 40.4 176.5 -85.7 110.7 21.2 -30.9 -18.3 95 93 A L E - 0 0 66 -84,-2.4 2,-0.3 -2,-0.8 -10,-0.2 0.842 61.3 -27.7 -82.3 -37.2 24.8 -29.8 -17.8 96 94 A S E -B 11 0A 54 -85,-1.3 -85,-2.4 -12,-0.1 2,-0.3 -0.978 51.5-143.5-167.2 165.1 24.2 -27.2 -15.1 97 95 A N E -B 10 0A 76 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.973 8.2-171.0-136.5 156.8 21.8 -24.7 -13.6 98 96 A K E -B 9 0A 134 -89,-1.6 -89,-2.9 -2,-0.3 2,-0.4 -0.975 16.5-137.9-147.2 137.8 22.0 -21.3 -12.0 99 97 A V E -B 8 0A 73 -2,-0.3 2,-0.3 -91,-0.2 -91,-0.2 -0.771 17.3-173.3 -99.5 135.6 19.4 -19.3 -10.1 100 98 A F E -B 7 0A 40 -93,-2.6 -93,-3.0 -2,-0.4 2,-0.4 -0.937 7.8-153.9-125.8 149.5 18.8 -15.6 -10.6 101 99 A K E -B 6 0A 59 -2,-0.3 54,-2.8 54,-0.3 2,-0.4 -0.977 12.1-176.1-131.5 141.0 16.5 -13.4 -8.6 102 100 A Y E -BE 5 154A 2 -97,-2.8 -97,-2.7 -2,-0.4 2,-0.5 -0.990 25.9-136.4-140.3 141.0 14.8 -10.1 -9.5 103 101 A D E -BE 4 153A 48 50,-2.2 50,-2.6 -2,-0.4 2,-0.9 -0.831 28.4-135.3 -86.0 130.5 12.6 -7.4 -8.2 104 102 A I E + E 0 152A 4 -101,-2.5 -101,-0.5 -2,-0.5 48,-0.2 -0.814 26.7 177.5 -88.6 105.1 9.8 -6.5 -10.7 105 103 A G E + 0 0 11 46,-2.0 2,-0.3 -2,-0.9 47,-0.2 0.711 65.1 10.0 -79.7 -23.9 9.8 -2.7 -10.7 106 104 A Y E - 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0 0 20 -26,-0.2 4,-1.4 -57,-0.1 3,-0.3 -0.982 67.7-108.8-161.2 160.5 5.7 -13.3 -32.7 172 60 B E H > S+ 0 0 74 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.857 117.9 63.7 -59.2 -37.1 9.2 -12.1 -33.5 173 61 B D H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 99.7 52.4 -53.8 -42.7 7.7 -10.3 -36.5 174 62 B S H > S+ 0 0 5 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.922 109.3 48.8 -60.5 -45.8 5.7 -8.1 -34.0 175 63 B F H X S+ 0 0 10 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.924 110.0 50.8 -60.6 -46.9 8.8 -7.2 -32.1 176 64 B N H X S+ 0 0 52 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.903 105.6 57.4 -58.4 -41.0 10.7 -6.3 -35.4 177 65 B N H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 108.7 46.1 -55.9 -40.3 7.7 -4.1 -36.3 178 66 B W H >< S+ 0 0 29 -4,-1.7 3,-1.9 1,-0.2 6,-0.4 0.920 108.0 54.9 -69.4 -43.1 8.2 -2.1 -33.1 179 67 B L H 3< S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.850 112.4 45.9 -54.9 -33.3 12.0 -1.9 -33.6 180 68 B N T 3< S+ 0 0 134 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.303 96.5 106.3 -90.7 3.6 11.1 -0.3 -37.0 181 69 B S S <> S- 0 0 19 -3,-1.9 4,-1.2 -5,-0.1 5,-0.1 -0.412 75.1-127.3 -88.6 159.0 8.4 2.1 -35.6 182 70 B D H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.843 110.2 60.8 -68.5 -32.4 8.4 5.8 -35.1 183 71 B V H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.855 99.7 54.8 -65.4 -33.1 7.3 5.2 -31.5 184 72 B F H > S+ 0 0 54 -6,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.949 110.9 45.7 -61.0 -47.1 10.5 3.2 -30.8 185 73 B K H X S+ 0 0 144 -4,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.911 112.8 49.8 -61.1 -44.6 12.5 6.2 -32.0 186 74 B E H >< S+ 0 0 110 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.913 108.8 52.2 -61.6 -44.1 10.4 8.7 -30.0 187 75 B A H 3< S+ 0 0 23 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.820 118.0 37.9 -61.4 -32.3 10.8 6.6 -26.8 188 76 B H H >< S+ 0 0 68 -4,-1.5 3,-1.5 -3,-0.2 -1,-0.2 0.345 83.6 105.7-102.4 5.3 14.6 6.5 -27.1 189 77 B K T << S+ 0 0 100 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.830 88.8 35.0 -61.8 -36.8 15.2 10.0 -28.4 190 78 B N T 3 S+ 0 0 112 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.231 90.3 119.0-101.9 14.1 16.7 11.4 -25.2 191 79 B V < - 0 0 52 -3,-1.5 2,-0.4 11,-0.0 -3,-0.0 -0.674 41.5-176.3 -82.1 128.0 18.4 8.2 -24.1 192 80 B R - 0 0 85 -2,-0.4 12,-0.4 7,-0.1 2,-0.3 -0.968 22.2-139.6-127.3 142.5 22.2 8.5 -23.8 193 81 B L > - 0 0 50 -2,-0.4 3,-1.4 1,-0.1 12,-0.2 -0.658 33.3-114.3 -86.1 153.2 25.0 6.1 -23.0 194 82 B K T 3 S+ 0 0 70 10,-2.6 5,-0.2 -2,-0.3 11,-0.1 0.847 117.1 60.0 -56.5 -32.7 27.7 7.4 -20.7 195 83 B S T 3 S+ 0 0 93 10,-0.3 -1,-0.3 9,-0.3 5,-0.1 0.683 81.7 106.3 -69.5 -22.1 30.1 7.1 -23.7 196 84 B D S X S- 0 0 60 -3,-1.4 3,-2.3 3,-0.1 4,-0.3 -0.258 86.3-112.7 -60.3 148.0 28.1 9.5 -25.8 197 85 B D T 3 S+ 0 0 170 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.829 121.6 29.1 -50.3 -37.5 29.6 13.0 -26.3 198 86 B D T 3 S+ 0 0 100 1,-0.1 3,-0.3 -5,-0.1 -1,-0.3 0.155 103.3 88.8-106.5 15.9 26.8 14.4 -24.2 199 87 B G X + 0 0 2 -3,-2.3 3,-2.3 -5,-0.2 -2,-0.2 0.390 43.2 114.4 -99.2 3.7 26.3 11.3 -22.1 200 88 B Q T 3 S+ 0 0 112 -4,-0.3 -1,-0.2 1,-0.3 -6,-0.1 0.803 80.0 48.0 -43.1 -43.7 28.7 11.9 -19.2 201 89 B Q T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 -8,-0.1 -7,-0.1 0.577 88.4 105.6 -79.4 -12.5 25.9 12.1 -16.5 202 90 B S < - 0 0 14 -3,-2.3 -9,-0.0 -9,-0.2 -3,-0.0 -0.493 58.8-155.2 -70.3 137.9 24.1 9.0 -17.7 203 91 B P + 0 0 12 0, 0.0 -80,-2.2 0, 0.0 2,-0.7 0.430 65.2 107.2 -88.6 -0.4 24.5 5.9 -15.5 204 92 B I E + G 0 122A 9 -12,-0.4 -10,-2.6 -82,-0.2 -9,-0.3 -0.709 41.1 174.2 -85.6 113.6 23.8 3.6 -18.5 205 93 B L E - 0 0 55 -84,-2.6 -10,-0.3 -2,-0.7 2,-0.3 0.907 58.9 -30.4 -85.3 -47.6 27.0 1.9 -19.5 206 94 B S E - G 0 121A 45 -85,-1.3 -85,-2.6 -13,-0.1 2,-0.3 -0.971 50.1-136.4-160.2 169.3 25.8 -0.5 -22.2 207 95 B N E - G 0 120A 79 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.952 8.8-166.6-130.2 156.0 23.0 -2.6 -23.4 208 96 B K E - G 0 119A 125 -89,-1.2 -89,-2.8 -2,-0.3 2,-0.4 -0.970 14.8-141.6-141.9 130.6 22.7 -6.1 -24.8 209 97 B V E - G 0 118A 68 -2,-0.3 2,-0.4 -91,-0.2 -91,-0.2 -0.752 15.8-172.0 -94.1 133.0 19.6 -7.6 -26.6 210 98 B F E - G 0 117A 32 -93,-2.6 -93,-3.2 -2,-0.4 2,-0.4 -0.956 6.9-155.4-122.4 144.4 18.6 -11.2 -26.0 211 99 B K E - G 0 116A 70 -166,-0.4 -166,-3.0 -2,-0.4 2,-0.4 -0.954 12.3-175.6-126.3 141.8 15.9 -13.0 -28.0 212 100 B Y E -DG 44 115A 0 -97,-2.7 -97,-2.7 -2,-0.4 2,-0.4 -0.990 26.9-137.0-141.9 139.4 13.8 -16.0 -26.9 213 101 B D E -DG 43 114A 52 -170,-2.3 -170,-2.5 -2,-0.4 2,-0.9 -0.798 29.2-135.2 -81.7 135.6 11.2 -18.5 -28.1 214 102 B I E +D 42 0A 4 -101,-2.4 -101,-0.5 -2,-0.4 -172,-0.2 -0.868 26.4 178.5 -94.0 104.6 8.6 -18.9 -25.4 215 103 B G E + 0 0 7 -174,-1.9 2,-0.3 -2,-0.9 -173,-0.2 0.710 65.5 10.8 -80.7 -23.5 8.1 -22.7 -25.4 216 104 B Y E -D 41 0A 41 -175,-1.5 -175,-2.6 -3,-0.1 2,-0.4 -0.975 57.5-176.4-156.9 142.2 5.6 -22.7 -22.5 217 105 B H E +D 40 0A 55 -2,-0.3 2,-0.3 -177,-0.2 -177,-0.2 -0.997 5.0 178.3-138.8 138.9 3.5 -20.4 -20.5 218 106 B Y E -D 39 0A 57 -179,-2.0 -179,-2.5 -2,-0.4 2,-0.4 -0.998 5.1-170.9-136.9 137.1 1.2 -21.0 -17.5 219 107 B Q E D 38 0A 104 -2,-0.3 -181,-0.2 -181,-0.2 -182,-0.1 -0.989 360.0 360.0-125.9 137.6 -0.9 -18.6 -15.5 220 108 B K 0 0 134 -183,-2.4 -188,-0.0 -2,-0.4 -2,-0.0 -0.453 360.0 360.0 -75.2 360.0 -2.8 -19.4 -12.2