==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 12-AUG-05 2BZ9 . COMPND 2 MOLECULE: STEROL 14ALPHA-DEMETHYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.V.YERMALITSKAYA,M.R.WATERMAN,L.M.PODUST . 861 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 2 0.2 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 . 39 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 9 3 0 2 1 2 0 2 2 2 0 2 1 2 2 1 0 0 0 0 0 1 1 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 0 1 1 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 . 6 4 2 2 4 2 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 . 4 2 0 0 0 0 2 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 2 A S 0 0 140 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.8 -12.2 103.5 6.1 2 3 A A + 0 0 111 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.125 360.0 150.5 -86.6 38.2 -9.0 101.6 6.7 3 4 A V + 0 0 129 -2,-0.4 2,-0.3 1,-0.0 0, 0.0 -0.477 18.8 175.8 -72.7 140.5 -10.8 98.8 8.6 4 5 A A - 0 0 91 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.937 35.0 -90.3-141.9 163.9 -9.3 95.3 8.3 5 6 A L - 0 0 21 -2,-0.3 35,-0.1 1,-0.1 36,-0.0 -0.387 60.9 -84.0 -70.9 151.7 -9.8 91.8 9.7 6 7 A P - 0 0 40 0, 0.0 35,-2.1 0, 0.0 2,-0.4 -0.322 49.6-149.0 -58.8 136.8 -7.9 91.0 12.9 7 8 A R B -a 41 0A 120 33,-0.2 35,-0.2 -3,-0.1 -3,-0.0 -0.911 11.3-118.4-114.3 137.5 -4.4 89.8 12.1 8 9 A V - 0 0 3 33,-3.3 35,-0.1 -2,-0.4 24,-0.1 -0.302 41.7 -94.9 -67.5 154.3 -2.2 87.3 14.0 9 10 A S S S+ 0 0 52 22,-0.2 2,-0.3 33,-0.1 -1,-0.1 -0.195 89.3 32.9 -67.7 161.1 1.0 88.6 15.5 10 11 A G + 0 0 37 1,-0.1 7,-0.1 32,-0.0 6,-0.0 -0.736 43.5 139.2 95.3-143.8 4.4 88.2 13.7 11 12 A G + 0 0 7 -2,-0.3 5,-0.3 5,-0.3 6,-0.2 0.610 33.6 137.2 74.1 11.5 4.6 88.4 9.9 12 13 A H + 0 0 148 3,-0.1 4,-0.2 5,-0.1 5,-0.1 0.836 39.4 94.5 -57.9 -39.8 7.8 90.4 10.4 13 14 A D B > S-B 16 0A 61 3,-0.6 3,-2.2 2,-0.1 5,-0.1 0.190 97.7 -84.6 -51.7 171.9 9.8 88.6 7.6 14 15 A E T 3 S+ 0 0 175 1,-0.3 3,-0.1 3,-0.1 -1,-0.1 0.875 131.5 30.8 -46.9 -49.2 10.1 89.7 4.0 15 16 A H T > S- 0 0 51 1,-0.3 30,-2.0 28,-0.0 3,-1.7 -0.154 110.8-123.1-105.7 38.6 6.9 88.0 3.0 16 17 A G B < S-BC 13 44A 2 -3,-2.2 -3,-0.6 1,-0.3 3,-0.4 -0.408 84.3 -3.7 64.6-123.7 5.1 88.5 6.3 17 18 A H T 3> S+ 0 0 0 26,-1.6 4,-2.7 -2,-0.2 -1,-0.3 0.393 113.3 92.5 -83.3 3.6 3.9 85.2 7.8 18 19 A L H <> S+ 0 0 0 -3,-1.7 4,-1.6 25,-0.4 5,-0.2 0.959 81.6 51.0 -62.9 -51.7 5.1 83.2 4.8 19 20 A E H 4 S+ 0 0 45 -3,-0.4 4,-0.4 1,-0.2 3,-0.2 0.892 114.7 45.6 -52.8 -40.9 8.6 82.4 6.2 20 21 A E H >> S+ 0 0 31 -4,-0.4 4,-3.0 1,-0.2 3,-1.6 0.921 108.1 55.9 -68.8 -43.9 6.9 81.2 9.3 21 22 A F H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 105.1 54.1 -61.2 -22.8 4.2 79.2 7.3 22 23 A R T 3< S+ 0 0 77 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.577 120.7 30.5 -87.2 -11.4 7.0 77.4 5.5 23 24 A T T <4 S+ 0 0 101 -3,-1.6 390,-0.3 -4,-0.4 -2,-0.2 0.799 139.5 5.4-111.3 -54.7 8.6 76.3 8.8 24 25 A D X + 0 0 82 -4,-3.0 4,-2.0 -5,-0.1 3,-0.2 -0.566 66.4 159.5-135.2 70.3 5.9 75.9 11.5 25 26 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 76.9 52.9 -59.9 -39.0 2.5 76.4 9.7 26 27 A I H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.868 108.9 49.2 -68.0 -35.8 0.6 74.6 12.5 27 28 A G H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 111.3 50.2 -68.6 -40.1 2.1 76.7 15.2 28 29 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.926 111.5 48.2 -62.3 -44.7 1.3 79.9 13.2 29 30 A M H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.820 110.0 51.4 -67.0 -32.9 -2.3 78.7 12.7 30 31 A Q H X S+ 0 0 61 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.871 106.7 54.3 -72.7 -36.0 -2.8 77.8 16.4 31 32 A R H X S+ 0 0 59 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.811 105.2 55.4 -66.9 -28.3 -1.5 81.3 17.3 32 33 A V H X>S+ 0 0 1 -4,-1.2 4,-3.0 2,-0.2 5,-0.7 0.958 112.5 40.1 -67.9 -50.1 -4.2 82.8 15.1 33 34 A R H X5S+ 0 0 34 -4,-1.7 4,-1.5 3,-0.2 -2,-0.2 0.894 116.3 52.6 -65.2 -38.9 -7.0 80.9 16.8 34 35 A D H <5S+ 0 0 117 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 120.8 30.6 -65.4 -37.5 -5.4 81.6 20.2 35 36 A E H <5S+ 0 0 93 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.843 137.6 20.5 -91.8 -34.4 -5.0 85.3 19.7 36 37 A L H ><5S- 0 0 52 -4,-3.0 3,-0.5 -5,-0.3 2,-0.3 0.619 89.7-147.9-110.8 -17.0 -8.0 86.0 17.5 37 38 A G T 3<< - 0 0 25 -4,-1.5 -1,-0.3 -5,-0.7 -2,-0.1 -0.675 66.2 -3.5 89.9-138.4 -10.4 83.1 18.0 38 39 A D T 3 S+ 0 0 45 -2,-0.3 15,-1.5 1,-0.2 2,-0.5 0.852 131.8 39.7 -64.0 -40.6 -12.7 81.9 15.2 39 40 A V E < S+ D 0 52A 1 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.953 73.7 137.4-119.7 118.9 -11.8 84.4 12.6 40 41 A G E - D 0 51A 0 11,-1.7 11,-2.6 -2,-0.5 2,-0.3 -0.991 31.8-141.1-154.1 156.4 -8.3 85.6 12.1 41 42 A T E -aD 7 50A 1 -35,-2.1 -33,-3.3 -2,-0.3 2,-0.3 -0.830 10.6-175.5-124.1 161.1 -5.8 86.4 9.3 42 43 A F E - D 0 49A 0 7,-1.2 7,-2.5 -2,-0.3 2,-0.5 -0.944 32.0-111.1-143.8 156.4 -2.1 86.0 8.5 43 44 A Q E - D 0 48A 65 -2,-0.3 -26,-1.6 5,-0.2 2,-0.8 -0.847 18.6-168.0-104.7 126.6 -0.2 87.3 5.5 44 45 A L E > -CD 16 47A 1 3,-2.7 3,-1.3 -2,-0.5 2,-0.4 -0.893 68.1 -65.3-107.6 97.7 1.2 85.1 2.8 45 46 A A T 3 S- 0 0 14 -30,-2.0 -28,-0.1 -2,-0.8 123,-0.1 -0.411 117.6 -18.8 59.5-110.7 3.4 87.4 0.7 46 47 A G T 3 S+ 0 0 58 -2,-0.4 -1,-0.3 121,-0.2 122,-0.1 0.809 124.2 85.5 -93.9 -34.1 0.9 89.8 -0.7 47 48 A K E < -D 44 0A 106 -3,-1.3 -3,-2.7 120,-0.2 2,-0.4 -0.299 69.2-139.3 -70.6 149.4 -2.2 87.7 -0.2 48 49 A Q E -D 43 0A 60 -5,-0.2 279,-1.8 -7,-0.0 2,-0.5 -0.897 9.7-150.1-109.2 137.1 -4.2 87.6 3.0 49 50 A V E -De 42 327A 0 -7,-2.5 -7,-1.2 -2,-0.4 2,-1.0 -0.937 4.0-150.0-110.7 124.9 -5.5 84.3 4.3 50 51 A V E -De 41 328A 0 277,-3.8 279,-3.2 -2,-0.5 2,-0.6 -0.810 17.9-157.1 -94.7 100.4 -8.7 84.4 6.3 51 52 A L E -De 40 329A 3 -11,-2.6 -11,-1.7 -2,-1.0 2,-0.3 -0.694 8.0-167.4 -84.2 115.6 -8.4 81.5 8.7 52 53 A L E +De 39 330A 0 277,-3.3 279,-0.6 -2,-0.6 2,-0.3 -0.796 13.0 166.2-101.8 144.3 -11.7 80.1 10.1 53 54 A S + 0 0 2 -15,-1.5 4,-0.5 -2,-0.3 3,-0.1 -0.984 31.2 54.9-152.4 159.5 -11.8 77.7 13.0 54 55 A G S > S- 0 0 5 -2,-0.3 4,-2.8 3,-0.1 5,-0.3 0.050 91.3 -74.6 92.9 151.4 -14.4 76.3 15.4 55 56 A S H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 128.4 46.1 -49.2 -50.0 -17.6 74.5 14.6 56 57 A H H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 115.7 44.7 -63.4 -47.8 -19.6 77.6 13.5 57 58 A A H > S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.939 114.6 48.5 -62.4 -48.4 -16.9 79.1 11.3 58 59 A N H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.897 107.0 57.0 -59.5 -40.7 -16.1 75.7 9.7 59 60 A E H X S+ 0 0 57 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.927 107.1 48.1 -56.8 -45.4 -19.8 75.1 9.0 60 61 A F H X S+ 0 0 60 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.947 113.5 50.3 -57.8 -46.4 -20.0 78.3 7.1 61 62 A F H < S+ 0 0 3 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.907 115.4 38.5 -58.4 -49.2 -16.8 77.2 5.2 62 63 A F H < S+ 0 0 14 -4,-3.1 312,-0.5 1,-0.2 313,-0.4 0.730 113.4 53.7 -79.5 -23.5 -18.0 73.8 4.2 63 64 A R H < S+ 0 0 174 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.536 85.7 109.5 -88.1 -5.7 -21.6 74.6 3.4 64 65 A A S < S- 0 0 19 -4,-0.8 2,-0.1 -3,-0.4 -3,-0.0 -0.387 71.0-117.0 -71.5 146.3 -20.6 77.4 1.0 65 66 A G >> - 0 0 24 1,-0.1 3,-2.8 -2,-0.1 4,-2.1 -0.421 24.4-111.1 -80.6 157.9 -21.2 76.9 -2.7 66 67 A D T 34 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.2 6,-0.1 0.631 120.2 67.8 -62.2 -9.3 -18.3 76.9 -5.2 67 68 A D T 34 S+ 0 0 101 2,-0.1 -1,-0.3 3,-0.1 3,-0.2 0.611 110.2 30.8 -84.0 -14.7 -19.9 80.2 -6.2 68 69 A D T <4 S+ 0 0 46 -3,-2.8 244,-3.7 1,-0.3 2,-0.7 0.801 133.4 24.9-104.5 -58.5 -18.9 81.8 -2.9 69 70 A L E < S-F 311 0A 5 -4,-2.1 -1,-0.3 242,-0.2 2,-0.3 -0.915 79.8-165.1-112.6 101.9 -15.7 80.0 -1.9 70 71 A D E -F 310 0A 20 240,-2.6 240,-2.8 -2,-0.7 -3,-0.1 -0.660 16.2-168.2 -89.7 145.4 -14.0 78.7 -5.1 71 72 A Q S >> S+ 0 0 89 -2,-0.3 3,-1.7 238,-0.2 4,-0.6 0.721 71.0 85.9 -99.7 -28.5 -11.2 76.1 -4.9 72 73 A A T 34 S+ 0 0 67 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.806 100.9 29.0 -40.1 -51.5 -10.1 76.4 -8.5 73 74 A K T 34 S+ 0 0 140 1,-0.2 -1,-0.3 237,-0.1 -2,-0.1 0.405 96.3 94.2 -97.5 3.8 -7.7 79.3 -8.0 74 75 A A T <4 S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.2 235,-0.2 0.744 87.3 42.3 -68.4 -25.6 -6.8 78.6 -4.4 75 76 A Y >< + 0 0 42 -4,-0.6 3,-2.2 -3,-0.3 4,-0.3 -0.696 60.6 173.3-125.7 78.9 -3.7 76.6 -5.2 76 77 A P T > S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.723 74.6 72.1 -57.0 -23.1 -1.7 78.3 -8.0 77 78 A F T 3> S+ 0 0 7 1,-0.2 4,-0.8 2,-0.2 86,-0.1 0.599 86.2 68.4 -70.4 -7.2 1.2 75.8 -7.6 78 79 A M H <> S+ 0 0 25 -3,-2.2 4,-3.1 2,-0.2 5,-0.5 0.726 83.6 71.1 -83.1 -21.9 -1.1 73.2 -9.2 79 80 A T H <> S+ 0 0 76 -3,-1.2 4,-3.0 -4,-0.3 -2,-0.2 0.950 100.5 42.2 -60.6 -54.0 -1.0 74.9 -12.6 80 81 A P H 4 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.919 117.6 50.4 -60.7 -39.7 2.6 74.0 -13.5 81 82 A I H < S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.977 121.5 29.3 -62.1 -59.9 2.1 70.5 -12.1 82 83 A F H < 0 0 67 -4,-3.1 -3,-0.2 152,-0.1 -1,-0.2 0.919 360.0 360.0 -67.0 -43.3 -1.1 69.6 -13.9 83 84 A G < 0 0 79 -4,-3.0 -2,-0.1 -5,-0.5 -1,-0.1 -0.061 360.0 360.0 104.9 360.0 -0.2 71.8 -16.9 84 ! 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 85 99 A M > 0 0 97 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-101.1 -14.8 62.7 -13.1 86 100 A L H >> + 0 0 46 2,-0.2 4,-2.6 1,-0.2 5,-0.7 0.807 360.0 62.0 -75.9 -31.8 -12.2 60.6 -11.4 87 101 A H H >5S+ 0 0 94 1,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.915 101.7 47.6 -59.1 -48.7 -15.1 59.2 -9.4 88 102 A N H 45S+ 0 0 66 548,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.875 115.4 45.6 -63.0 -39.8 -16.9 57.8 -12.5 89 103 A A H <5S- 0 0 13 -4,-1.1 -2,-0.2 547,-0.3 -1,-0.2 0.922 136.6 -2.5 -72.1 -45.7 -13.7 56.1 -13.8 90 104 A A H <5S+ 0 0 1 -4,-2.6 -3,-0.2 546,-0.1 -2,-0.2 0.539 117.3 66.6-129.2 -7.8 -12.4 54.5 -10.7 91 105 A L << + 0 0 19 -4,-1.6 2,-0.2 -5,-0.7 -3,-0.1 0.181 60.1 130.1-107.0 22.1 -14.4 55.2 -7.6 92 106 A R >> - 0 0 67 -4,-0.2 3,-2.6 -5,-0.2 4,-0.7 -0.530 65.0-125.1 -73.7 137.6 -17.7 53.4 -8.3 93 107 A G H >> S+ 0 0 63 1,-0.3 3,-0.7 -2,-0.2 4,-0.5 0.806 110.1 64.8 -51.4 -33.1 -18.7 51.1 -5.4 94 108 A E H 34 S+ 0 0 145 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.721 101.3 53.2 -62.8 -21.3 -18.9 48.2 -7.8 95 109 A Q H <> S+ 0 0 37 -3,-2.6 4,-2.4 1,-0.1 -1,-0.2 0.693 83.5 84.9 -88.9 -21.7 -15.1 48.6 -8.3 96 110 A M H S+ 0 0 40 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.871 111.7 52.9 -57.4 -40.5 -11.5 44.6 -7.4 99 113 A H H X S+ 0 0 15 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.873 104.1 57.1 -64.6 -34.3 -9.4 47.5 -6.0 100 114 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -3,-0.3 -1,-0.2 0.936 110.9 43.2 -61.3 -44.0 -9.1 45.7 -2.7 101 115 A A H X S+ 0 0 41 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.933 112.6 52.1 -66.9 -46.0 -7.5 42.8 -4.6 102 116 A T H X S+ 0 0 40 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.951 111.4 47.7 -53.6 -52.4 -5.3 45.0 -6.8 103 117 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.910 109.4 51.8 -56.0 -48.0 -4.0 46.7 -3.7 104 118 A E H X S+ 0 0 39 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.931 112.3 48.1 -54.4 -45.8 -3.3 43.5 -1.9 105 119 A D H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.889 109.9 51.4 -63.0 -41.9 -1.4 42.4 -5.0 106 120 A Q H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.891 111.4 48.0 -64.2 -39.1 0.6 45.6 -5.1 107 121 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.945 111.4 48.2 -66.4 -49.6 1.6 45.3 -1.5 108 122 A R H X S+ 0 0 86 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.877 112.1 51.3 -60.0 -36.0 2.7 41.7 -1.8 109 123 A R H >< S+ 0 0 121 -4,-2.1 3,-1.0 -5,-0.2 4,-0.3 0.944 108.8 51.5 -65.0 -45.0 4.7 42.7 -4.9 110 124 A M H 3< S+ 0 0 29 -4,-2.3 3,-0.5 1,-0.3 -2,-0.2 0.865 115.3 39.2 -59.4 -42.6 6.3 45.5 -3.0 111 125 A I H >< S+ 0 0 13 -4,-2.3 3,-2.6 1,-0.2 4,-0.4 0.415 83.1 109.0 -90.0 2.7 7.5 43.5 -0.0 112 126 A A T << S+ 0 0 82 -3,-1.0 3,-0.3 -4,-0.5 -1,-0.2 0.769 84.2 41.5 -50.3 -30.1 8.4 40.5 -2.2 113 127 A D T 3 S+ 0 0 138 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.273 85.0 102.1-103.0 13.0 12.2 41.1 -1.7 114 128 A W < + 0 0 11 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2,-0.3 -0.704 13.5 169.4 -97.8 151.8 -30.8 27.9 -59.8 485 54 B S + 0 0 3 -15,-1.4 4,-0.4 -2,-0.3 3,-0.1 -0.969 33.2 49.9-161.5 148.1 -30.9 30.3 -62.8 486 55 B G S > S- 0 0 5 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.027 91.7 -75.0 98.9 152.1 -33.6 31.7 -65.1 487 56 B S H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.877 127.7 48.8 -49.4 -48.8 -36.9 33.4 -64.2 488 57 B H H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.946 115.9 40.1 -60.6 -53.1 -38.7 30.2 -63.3 489 58 B A H > S+ 0 0 0 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.898 116.7 51.8 -63.7 -40.9 -36.1 28.7 -61.0 490 59 B N H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.872 105.2 55.4 -63.4 -38.2 -35.3 32.2 -59.5 491 60 B E H X S+ 0 0 56 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.943 107.7 49.5 -61.6 -44.6 -39.0 32.7 -58.8 492 61 B F H X S+ 0 0 60 -4,-1.9 4,-1.2 2,-0.2 3,-0.3 0.947 112.7 49.5 -55.5 -49.2 -39.0 29.5 -56.8 493 62 B F H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.957 114.7 39.3 -55.0 -61.7 -35.9 30.6 -54.9 494 63 B F H 3< S+ 0 0 10 -4,-2.5 315,-0.6 1,-0.2 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0 0 86 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.869 105.0 38.0 -37.8 -59.5 -29.0 32.1 -41.6 505 74 B K G 3 S+ 0 0 118 1,-0.2 -1,-0.3 240,-0.1 -2,-0.1 0.400 97.7 85.3 -78.5 2.0 -27.1 28.8 -41.7 506 75 B A G < S+ 0 0 0 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.625 87.6 48.9 -80.6 -14.8 -26.0 29.3 -45.3 507 76 B Y X + 0 0 37 -3,-0.9 3,-2.0 -4,-0.5 4,-0.3 -0.686 59.4 173.5-128.5 81.0 -22.9 31.3 -44.5 508 77 B P T > S+ 0 0 30 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.764 74.2 70.8 -57.0 -29.2 -20.8 29.6 -41.8 509 78 B F T 3> S+ 0 0 7 1,-0.3 4,-0.5 2,-0.2 90,-0.1 0.613 87.4 68.5 -66.3 -8.6 -18.0 32.1 -42.1 510 79 B M H <> S+ 0 0 26 -3,-2.0 4,-2.9 2,-0.2 5,-0.5 0.735 84.5 69.0 -81.1 -24.4 -20.3 34.7 -40.5 511 80 B T H <> S+ 0 0 77 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.953 101.0 44.7 -59.5 -52.5 -20.3 33.0 -37.1 512 81 B P H 4 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.766 116.7 49.9 -63.8 -24.1 -16.6 33.8 -36.4 513 82 B I H < S+ 0 0 0 -4,-0.5 -2,-0.2 2,-0.1 -3,-0.1 0.950 118.5 32.0 -80.6 -53.7 -17.2 37.4 -37.6 514 83 B F H < 0 0 67 -4,-2.9 -3,-0.2 1,-0.1 156,-0.1 0.874 360.0 360.0 -71.9 -35.1 -20.3 38.3 -35.7 515 84 B G < 0 0 79 -4,-2.5 -2,-0.1 -5,-0.5 -1,-0.1 0.047 360.0 360.0 112.1 360.0 -19.2 36.2 -32.8 516 ! 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 0.0 517 95 B R > 0 0 116 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 154.0 -34.4 38.8 -37.7 518 96 B R T 3> + 0 0 68 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.502 360.0 84.1 -64.3 -1.6 -31.6 41.3 -36.9 519 97 B K H 3> S+ 0 0 41 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.699 85.6 53.8 -73.3 -20.2 -32.7 42.9 -40.1 520 98 B E H <> S+ 0 0 96 -3,-2.3 4,-2.6 2,-0.2 5,-0.4 0.763 99.6 60.5 -83.9 -28.1 -35.4 44.7 -38.1 521 99 B M H > S+ 0 0 71 -4,-0.5 4,-0.7 1,-0.2 -2,-0.2 0.874 111.9 40.3 -64.1 -37.6 -32.8 46.1 -35.6 522 100 B L H X>S+ 0 0 28 -4,-1.1 4,-1.8 3,-0.2 5,-0.7 0.822 118.5 46.7 -80.2 -34.7 -31.2 47.8 -38.6 523 101 B H H X5S+ 0 0 75 -4,-1.3 4,-1.4 3,-0.2 -2,-0.2 0.960 115.0 41.7 -73.1 -55.0 -34.5 48.9 -40.2 524 102 B N H <5S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.785 122.6 42.9 -64.9 -27.8 -36.4 50.3 -37.2 525 103 B A H <5S+ 0 0 29 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.2 0.852 136.6 1.1 -88.3 -37.6 -33.2 52.0 -36.0 526 104 B A H <5S+ 0 0 0 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.587 118.5 62.4-129.7 -14.0 -31.7 53.4 -39.2 527 105 B L << + 0 0 20 -4,-1.4 2,-0.3 -5,-0.7 -3,-0.1 0.061 62.7 133.2-107.8 29.3 -33.8 52.8 -42.3 528 106 B R >> - 0 0 94 1,-0.1 3,-2.6 -4,-0.1 4,-0.6 -0.579 64.8-121.9 -77.2 139.0 -37.1 54.6 -41.4 529 107 B G G >4 S+ 0 0 67 1,-0.3 3,-1.0 -2,-0.3 4,-0.4 0.828 111.7 59.4 -47.7 -37.8 -38.3 56.7 -44.3 530 108 B E G 34 S+ 0 0 151 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.673 100.5 57.3 -67.7 -17.1 -38.2 59.8 -42.1 531 109 B Q G <> S+ 0 0 45 -3,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.581 81.6 86.7 -90.5 -12.2 -34.5 59.3 -41.5 532 110 B M H S+ 0 0 106 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.895 111.8 48.0 -57.0 -41.8 -33.0 63.2 -45.5 534 112 B G H > S+ 0 0 40 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.925 109.7 52.1 -65.5 -44.2 -30.7 63.3 -42.5 535 113 B H H X 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545 123 B R H >< S+ 0 0 64 -4,-2.2 3,-0.5 -5,-0.2 4,-0.3 0.902 108.6 52.5 -65.9 -40.4 -14.5 65.2 -44.9 546 124 B M H >< S+ 0 0 26 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.919 115.8 37.4 -61.8 -47.7 -12.8 62.4 -46.8 547 125 B I H >< S+ 0 0 13 -4,-2.3 3,-2.7 1,-0.2 4,-0.4 0.429 84.8 106.9 -86.7 1.3 -11.6 64.5 -49.8 548 126 B A T << S+ 0 0 82 -4,-0.6 3,-0.3 -3,-0.5 -1,-0.2 0.750 85.2 41.9 -51.5 -28.7 -10.8 67.5 -47.6 549 127 B D T < S+ 0 0 135 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.122 86.6 101.6-106.2 20.9 -7.0 66.9 -48.0 550 128 B W < - 0 0 15 -3,-2.7 3,-0.2 1,-0.1 -1,-0.2 0.810 60.2-173.8 -72.9 -33.6 -7.3 66.0 -51.7 551 129 B G - 0 0 36 -4,-0.4 -1,-0.1 -3,-0.3 3,-0.1 -0.259 49.9 -42.0 70.6-158.9 -6.1 69.3 -53.0 552 130 B E S S- 0 0 134 1,-0.2 313,-3.0 312,-0.1 2,-0.3 0.895 119.4 -0.1 -74.6 -44.7 -6.1 70.2 -56.7 553 131 B A E S+T 864 0G 42 311,-0.2 2,-0.3 -3,-0.2 311,-0.2 -0.957 73.4 117.4-145.0 161.3 -4.9 67.0 -58.3 554 132 B G E -T 863 0G 27 309,-2.0 309,-1.8 -2,-0.3 2,-0.3 -0.982 45.6 -89.2 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B G H 3> S+ 0 0 35 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.708 126.6 63.2 -46.5 -27.2 -8.3 54.1 -40.5 586 164 B R H 3> S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.989 103.9 44.7 -63.9 -58.2 -7.6 51.5 -37.8 587 165 B F H <> S+ 0 0 4 -3,-0.5 4,-2.5 1,-0.2 5,-0.2 0.920 113.8 55.3 -50.6 -43.5 -11.2 50.5 -37.4 588 166 B A H X S+ 0 0 14 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.911 107.5 44.0 -57.9 -51.2 -11.3 50.5 -41.3 589 167 B K H X S+ 0 0 144 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.908 113.8 51.4 -65.1 -39.8 -8.5 48.1 -41.9 590 168 B L H X S+ 0 0 39 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.921 108.4 50.5 -62.7 -42.9 -9.7 45.7 -39.2 591 169 B Y H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.849 109.6 53.9 -62.7 -30.8 -13.2 45.6 -40.6 592 170 B H H X S+ 0 0 37 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.880 103.2 54.0 -69.5 -39.1 -11.5 44.9 -43.9 593 171 B E H < S+ 0 0 38 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.780 103.5 59.4 -65.9 -25.0 -9.6 41.9 -42.5 594 172 B L H >< S+ 0 0 0 -4,-1.3 3,-2.5 1,-0.2 -2,-0.2 0.986 106.5 44.4 -62.9 -60.1 -13.0 40.6 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48.3 -68.9 -51.4 -6.4 33.6 -38.0 615 193 B R H X S+ 0 0 59 -4,-2.9 4,-3.5 -5,-0.2 -2,-0.2 0.943 111.1 51.2 -51.7 -53.8 -6.1 37.2 -39.4 616 194 B R H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.943 111.0 47.9 -49.4 -54.7 -9.9 37.5 -39.3 617 195 B D H X S+ 0 0 60 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.881 113.7 46.6 -56.4 -40.9 -9.9 36.3 -35.7 618 196 B E H X S+ 0 0 107 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.888 109.7 55.5 -69.0 -37.6 -7.2 38.7 -34.7 619 197 B A H X S+ 0 0 3 -4,-3.5 4,-2.1 -5,-0.2 -2,-0.2 0.950 106.6 50.0 -59.4 -47.4 -9.0 41.5 -36.6 620 198 B R H X S+ 0 0 21 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.909 107.7 52.9 -60.5 -41.7 -12.1 40.9 -34.6 621 199 B N H X S+ 0 0 111 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.898 108.4 52.4 -59.1 -38.6 -10.2 41.1 -31.3 622 200 B G H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.916 108.1 50.6 -63.3 -42.5 -8.8 44.4 -32.4 623 201 B L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.930 107.6 51.4 -60.8 -48.6 -12.2 45.7 -33.1 624 202 B V H X S+ 0 0 23 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.870 109.7 52.0 -57.4 -37.5 -13.6 44.7 -29.7 625 203 B A H X S+ 0 0 20 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.900 109.7 48.7 -66.0 -41.6 -10.6 46.5 -28.1 626 204 B L H X S+ 0 0 22 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.938 115.5 43.4 -63.5 -48.1 -11.4 49.7 -30.2 627 205 B V H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 3,-0.2 0.944 110.6 54.4 -64.0 -48.5 -15.1 49.6 -29.2 628 206 B A H X S+ 0 0 14 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.880 107.7 52.2 -52.7 -40.3 -14.4 48.8 -25.5 629 207 B D H X S+ 0 0 6 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.900 110.0 47.4 -64.0 -40.7 -12.1 51.8 -25.4 630 208 B I H X S+ 0 0 13 -4,-1.6 4,-2.0 -3,-0.2 -2,-0.2 0.903 113.7 49.4 -66.1 -41.1 -14.9 54.0 -26.8 631 209 B M H X S+ 0 0 18 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.931 110.4 48.4 -62.0 -51.2 -17.3 52.5 -24.3 632 210 B N H X S+ 0 0 59 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.855 108.3 56.4 -60.3 -35.6 -15.0 53.1 -21.3 633 211 B G H < S+ 0 0 12 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.954 110.5 44.1 -60.8 -48.1 -14.4 56.6 -22.5 634 212 B R H >< S+ 0 0 38 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.844 110.5 53.8 -65.7 -36.1 -18.2 57.2 -22.4 635 213 B I H 3< S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 103.4 57.3 -68.3 -31.9 -18.7 55.5 -19.0 636 214 B A T 3< S+ 0 0 14 -4,-1.9 -547,-0.3 1,-0.2 -1,-0.2 0.509 125.5 8.7 -75.9 -5.1 -16.0 57.8 -17.5 637 215 B N < 0 0 98 -3,-1.1 -1,-0.2 -4,-0.2 0, 0.0 -0.738 360.0 360.0-177.1 127.6 -18.0 60.9 -18.5 638 216 B P 0 0 149 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.139 360.0 360.0 -51.1 360.0 -21.5 61.6 -20.0 639 ! 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 0.0 640 222 B D 0 0 122 0, 0.0 2,-0.3 0, 0.0 -62,-0.0 0.000 360.0 360.0 360.0 107.6 -26.4 63.9 -29.2 641 223 B R - 0 0 176 -63,-0.0 2,-0.2 3,-0.0 -63,-0.1 -0.688 360.0-177.1 -93.6 144.1 -27.3 60.3 -28.3 642 224 B D > - 0 0 13 -2,-0.3 4,-1.8 -66,-0.1 -66,-0.2 -0.631 43.2 -82.5-127.8-170.8 -26.4 57.4 -30.6 643 225 B M H > S+ 0 0 28 -68,-2.8 4,-2.3 1,-0.2 5,-0.2 0.785 123.6 56.2 -65.3 -31.6 -26.8 53.6 -31.0 644 226 B L H > S+ 0 0 0 -69,-0.2 4,-2.6 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