==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-09 2WE8 . COMPND 2 MOLECULE: XANTHINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR H.J.CHO,B.S.KANG . 680 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0.3 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 . 58 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 0 0 1 1 5 3 0 2 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 6 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 0 PARALLEL BRIDGES PER LADDER . 0 1 4 5 0 3 3 0 1 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 2 2 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 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 4 A G > 0 0 31 0, 0.0 3,-0.8 0, 0.0 37,-0.4 0.000 360.0 360.0 360.0-119.3 -27.1 -0.1 99.0 2 5 A V G >> + 0 0 17 1,-0.2 4,-0.8 2,-0.1 3,-0.7 0.401 360.0 104.3 -71.3 1.0 -24.6 2.5 100.4 3 6 A R G 34 S+ 0 0 117 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.844 75.7 57.1 -53.4 -40.1 -21.5 0.6 99.1 4 7 A D G <4 S+ 0 0 117 -3,-0.8 -1,-0.2 1,-0.2 3,-0.2 0.908 125.3 19.4 -51.6 -47.0 -21.1 3.1 96.2 5 8 A V T <> S+ 0 0 5 -3,-0.7 4,-2.5 -4,-0.2 -2,-0.2 0.107 90.4 111.0-117.9 19.6 -20.8 6.1 98.6 6 9 A L H X S+ 0 0 15 -4,-0.8 4,-2.4 -3,-0.5 5,-0.2 0.830 75.1 54.9 -72.1 -34.9 -19.9 4.4 101.9 7 10 A G H > S+ 0 0 59 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.920 113.0 43.0 -60.2 -45.3 -16.3 5.7 102.1 8 11 A T H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.925 115.9 47.8 -68.6 -46.1 -17.5 9.3 101.8 9 12 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.857 111.5 51.3 -60.9 -37.5 -20.4 8.8 104.2 10 13 A S H X S+ 0 0 7 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.933 106.2 53.8 -68.0 -44.8 -18.1 7.1 106.7 11 14 A A H X S+ 0 0 62 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.852 111.4 46.2 -58.5 -37.0 -15.6 10.0 106.6 12 15 A V H X>S+ 0 0 12 -4,-1.6 5,-1.4 2,-0.2 4,-0.6 0.958 114.1 48.1 -67.9 -49.5 -18.5 12.4 107.4 13 16 A W H ><5S+ 0 0 24 -4,-2.5 3,-0.9 1,-0.2 81,-0.3 0.888 112.3 48.7 -54.8 -47.2 -19.8 10.2 110.2 14 17 A E H 3<5S+ 0 0 95 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 105.4 58.9 -65.4 -33.8 -16.3 9.8 111.7 15 18 A S H 3<5S- 0 0 93 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.613 117.3-108.9 -75.9 -12.2 -15.6 13.5 111.6 16 19 A G T <<5S+ 0 0 52 -3,-0.9 -3,-0.2 -4,-0.6 79,-0.1 0.371 78.1 122.6 101.5 -3.7 -18.6 14.3 113.8 17 20 A G < - 0 0 20 -5,-1.4 2,-0.5 -6,-0.2 -1,-0.3 -0.241 61.1-113.7 -88.6 176.3 -20.7 15.9 111.1 18 21 A T - 0 0 44 75,-0.1 2,-0.3 -3,-0.1 75,-0.2 -0.960 23.7-162.2-116.5 124.4 -24.2 15.1 109.7 19 22 A A E -A 92 0A 0 73,-2.6 73,-2.9 -2,-0.5 2,-0.5 -0.716 17.2-132.7 -95.2 152.1 -24.7 13.8 106.2 20 23 A G E -AB 91 41A 0 21,-2.0 21,-2.7 -2,-0.3 2,-0.5 -0.958 28.1-166.1-105.5 122.9 -28.1 13.9 104.4 21 24 A V E -AB 90 40A 2 69,-3.0 69,-2.4 -2,-0.5 2,-0.5 -0.962 12.4-166.2-122.4 123.6 -28.7 10.5 102.8 22 25 A G E -AB 89 39A 0 17,-2.7 17,-2.4 -2,-0.5 2,-0.5 -0.966 11.2-171.3-109.4 119.2 -31.3 9.8 100.2 23 26 A T E -AB 88 38A 14 65,-2.6 65,-3.1 -2,-0.5 2,-0.7 -0.937 24.5-128.2-115.5 128.7 -32.0 6.1 99.7 24 27 A V E +A 87 0A 0 13,-2.8 12,-4.0 -2,-0.5 63,-0.2 -0.686 33.0 171.6 -76.1 117.7 -34.2 4.7 96.9 25 28 A V E + 0 0 4 61,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.754 61.0 12.2-101.1 -34.9 -36.5 2.4 98.7 26 29 A R E -A 86 0A 44 60,-1.2 60,-2.4 8,-0.1 2,-0.4 -0.993 62.3-163.8-147.1 149.6 -39.0 1.5 95.9 27 30 A T E -A 85 0A 49 -2,-0.3 2,-0.3 58,-0.2 58,-0.2 -0.993 4.4-175.3-139.4 142.8 -39.1 1.9 92.2 28 31 A F E +A 84 0A 89 56,-2.7 56,-3.1 -2,-0.4 -2,-0.0 -0.995 65.2 19.8-135.9 152.0 -41.9 1.7 89.5 29 32 A R S S- 0 0 205 -2,-0.3 -1,-0.1 54,-0.2 56,-0.0 0.874 125.3 -62.9 62.0 45.0 -41.9 1.9 85.7 30 33 A S - 0 0 118 -3,-0.1 -1,-0.2 1,-0.1 53,-0.1 0.955 69.6-167.2 47.0 68.8 -38.3 1.1 85.3 31 34 A A - 0 0 12 53,-0.2 -1,-0.1 51,-0.2 -2,-0.1 -0.586 32.3-107.1 -77.2 155.4 -36.8 4.1 87.1 32 35 A P S S+ 0 0 70 0, 0.0 20,-0.2 0, 0.0 -1,-0.1 0.741 98.2 42.2 -65.1 -31.7 -33.0 4.4 86.5 33 36 A R S S- 0 0 73 18,-0.6 -2,-0.1 4,-0.1 3,-0.1 -0.942 79.6-131.7-123.1 142.4 -31.6 3.3 89.9 34 37 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 -10,-0.3 -0.118 44.8 -58.1 -86.5 175.2 -32.9 0.4 92.1 35 38 A A T 3 S+ 0 0 35 1,-0.2 -10,-0.3 -10,-0.2 129,-0.1 -0.372 127.2 29.5 -49.3 117.9 -33.8 -0.1 95.8 36 39 A G T 3 S+ 0 0 1 -12,-4.0 -1,-0.2 1,-0.4 -11,-0.1 -0.015 76.8 140.0 113.6 -28.9 -30.7 0.9 97.7 37 40 A A < - 0 0 7 -3,-2.0 -13,-2.8 -13,-0.2 -1,-0.4 -0.270 40.4-156.6 -43.8 128.2 -29.2 3.5 95.3 38 41 A S E -B 23 0A 3 -37,-0.4 12,-0.6 -15,-0.2 2,-0.4 -0.938 24.3-165.4-126.3 141.5 -27.9 6.3 97.6 39 42 A M E -BC 22 49A 5 -17,-2.4 -17,-2.7 -2,-0.4 2,-0.4 -0.973 13.4-164.2-120.8 138.6 -27.1 9.9 97.5 40 43 A V E -BC 21 48A 1 8,-2.7 8,-1.8 -2,-0.4 2,-0.6 -0.988 6.7-162.3-128.3 126.3 -25.0 11.5 100.2 41 44 A V E -BC 20 47A 10 -21,-2.7 -21,-2.0 -2,-0.4 6,-0.2 -0.960 16.5-147.4-111.7 113.9 -24.8 15.3 100.9 42 45 A A > - 0 0 11 4,-2.8 3,-2.8 -2,-0.6 -23,-0.1 -0.366 31.1-102.1 -72.9 155.7 -21.8 16.2 103.0 43 46 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.781 124.3 58.0 -49.3 -31.0 -22.0 19.2 105.4 44 47 A D T 3 S- 0 0 129 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.458 123.8-106.9 -82.9 -0.2 -19.9 21.3 102.9 45 48 A G S < S+ 0 0 21 -3,-2.8 2,-0.2 1,-0.3 20,-0.1 0.286 70.2 145.9 98.5 -6.2 -22.6 20.6 100.4 46 49 A T - 0 0 79 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.421 33.2-152.8 -71.0 134.6 -20.7 18.1 98.2 47 50 A V E +C 41 0A 58 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.867 17.6 173.4-112.9 140.3 -22.9 15.3 96.7 48 51 A S E +C 40 0A 34 -8,-1.8 -8,-2.7 -2,-0.4 -43,-0.1 -0.980 45.0 35.1-139.4 157.1 -22.0 11.8 95.7 49 52 A G E -C 39 0A 26 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.136 68.3-114.6 87.8 173.4 -24.2 8.9 94.5 50 53 A S - 0 0 38 -12,-0.6 -12,-0.1 1,-0.1 3,-0.1 -0.994 22.0-176.8-149.1 141.9 -27.3 8.9 92.4 51 54 A V S S+ 0 0 0 -2,-0.3 -18,-0.6 -28,-0.1 2,-0.2 0.600 79.8 13.2-114.7 -17.6 -30.9 8.0 92.9 52 55 A S S S- 0 0 3 -20,-0.2 -1,-0.0 -21,-0.1 -21,-0.0 -0.666 91.6 -90.0-143.5-176.1 -32.3 8.6 89.4 53 56 A G S S- 0 0 60 -2,-0.2 -3,-0.0 -3,-0.1 -22,-0.0 0.124 91.9 -63.9 -91.9 19.1 -30.7 9.2 86.0 54 57 A G S > S+ 0 0 50 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.052 111.6 112.3 123.6 -24.0 -30.6 12.9 86.5 55 58 A C T 3 S+ 0 0 73 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.783 92.8 6.6 -53.1 -46.6 -34.4 13.3 86.7 56 59 A V T 3> S+ 0 0 17 2,-0.1 4,-2.6 1,-0.1 -1,-0.2 0.178 90.6 114.8-128.7 16.5 -34.9 14.3 90.4 57 60 A E H <> S+ 0 0 32 -3,-0.5 4,-2.5 1,-0.2 5,-0.1 0.876 79.1 50.8 -55.5 -46.0 -31.4 14.7 91.7 58 61 A G H > S+ 0 0 50 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.878 111.8 47.7 -60.4 -40.0 -31.8 18.4 92.4 59 62 A A H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.888 112.4 47.8 -70.4 -40.2 -35.0 17.9 94.3 60 63 A V H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.910 109.3 55.3 -67.3 -41.6 -33.5 15.1 96.4 61 64 A Y H X S+ 0 0 73 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.919 110.1 45.2 -53.9 -47.4 -30.4 17.3 97.1 62 65 A D H X S+ 0 0 110 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.861 113.4 50.4 -66.8 -36.5 -32.7 20.1 98.5 63 66 A L H X S+ 0 0 20 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.940 110.3 48.9 -66.9 -47.6 -34.7 17.6 100.5 64 67 A A H X S+ 0 0 2 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.903 111.5 50.8 -57.3 -43.7 -31.5 16.1 102.0 65 68 A T H X S+ 0 0 66 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.938 112.9 45.1 -58.4 -48.5 -30.4 19.7 102.8 66 69 A E H X S+ 0 0 115 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.848 109.9 55.4 -63.2 -35.0 -33.7 20.5 104.5 67 70 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.858 103.6 53.8 -72.5 -35.1 -33.7 17.2 106.4 68 71 A V H < S+ 0 0 56 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.912 111.5 47.5 -61.6 -42.2 -30.3 17.8 108.0 69 72 A A H < S+ 0 0 89 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.940 121.8 32.6 -62.7 -54.1 -31.6 21.2 109.2 70 73 A T H < S- 0 0 77 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.782 94.3-141.2 -73.0 -32.8 -34.9 19.9 110.7 71 74 A G < + 0 0 41 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.597 60.5 127.0 75.6 13.6 -33.4 16.5 111.7 72 75 A T - 0 0 88 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.909 58.2-130.4-108.2 116.5 -36.7 14.9 110.7 73 76 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 17,-0.2 -0.227 24.7-160.0 -63.0 153.1 -36.6 12.0 108.1 74 77 A V E -D 89 0A 40 15,-2.3 15,-3.1 2,-0.0 2,-0.6 -0.995 18.8-150.2-142.9 129.5 -38.9 12.1 105.1 75 78 A L E -D 88 0A 47 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.909 28.4-176.3 -92.1 124.3 -40.3 9.5 102.6 76 79 A Q E -D 87 0A 81 11,-2.5 11,-2.7 -2,-0.6 2,-0.5 -0.989 18.2-149.0-126.8 132.6 -40.9 11.3 99.2 77 80 A R E -D 86 0A 131 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.864 12.4-164.3 -98.6 129.2 -42.4 10.0 96.0 78 81 A Y E -D 85 0A 32 7,-2.9 7,-2.7 -2,-0.5 2,-0.4 -0.947 5.0-173.6-112.1 133.3 -41.1 11.4 92.7 79 82 A G E D 84 0A 60 -2,-0.4 5,-0.2 5,-0.2 4,-0.1 -0.993 360.0 360.0-129.6 130.3 -43.1 10.9 89.5 80 83 A V 0 0 108 3,-1.4 -25,-0.0 -2,-0.4 -24,-0.0 -0.932 360.0 360.0-131.0 360.0 -41.7 12.0 86.1 81 ! 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 82 96 A G 0 0 67 0, 0.0 -51,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -24.4 -39.1 8.2 83.5 83 97 A G - 0 0 6 -53,-0.1 -3,-1.4 -4,-0.1 2,-0.4 -0.011 360.0 -95.1 -93.9-167.5 -40.3 6.2 86.5 84 98 A I E -AD 28 79A 41 -56,-3.1 -56,-2.7 -5,-0.2 2,-0.4 -0.949 41.5-168.3-110.6 137.8 -41.8 6.6 89.9 85 99 A L E -AD 27 78A 7 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.6 -0.990 19.5-156.5-135.6 126.1 -39.4 6.7 92.8 86 100 A D E -AD 26 77A 5 -60,-2.4 -61,-2.4 -2,-0.4 -60,-1.2 -0.938 21.9-175.1 -98.9 124.4 -39.7 6.4 96.6 87 101 A V E -AD 24 76A 0 -11,-2.7 -11,-2.5 -2,-0.6 2,-0.6 -0.974 13.3-154.5-122.4 125.2 -36.8 8.1 98.3 88 102 A F E -AD 23 75A 4 -65,-3.1 -65,-2.6 -2,-0.5 2,-0.5 -0.883 12.5-162.9-103.4 126.6 -36.2 8.1 102.0 89 103 A V E +AD 22 74A 0 -15,-3.1 -15,-2.3 -2,-0.6 -67,-0.2 -0.909 16.5 161.2-117.3 131.0 -34.1 10.9 103.3 90 104 A E E -A 21 0A 16 -69,-2.4 -69,-3.0 -2,-0.5 2,-0.5 -0.946 40.4-112.1-144.1 155.5 -32.5 10.9 106.7 91 105 A P E -A 20 0A 12 0, 0.0 2,-0.6 0, 0.0 -71,-0.2 -0.855 31.8-160.8 -88.1 127.9 -29.7 12.7 108.7 92 106 A V E +A 19 0A 2 -73,-2.9 -73,-2.6 -2,-0.5 2,-0.2 -0.958 29.3 134.0-116.5 112.8 -26.9 10.3 109.4 93 107 A S > - 0 0 9 -2,-0.6 4,-1.9 -75,-0.2 7,-0.2 -0.823 69.9 -93.6-137.6-177.0 -24.4 11.3 112.2 94 108 A Q T 4 S+ 0 0 89 -77,-0.3 6,-0.1 -81,-0.3 -76,-0.1 0.855 127.7 49.1 -67.2 -33.8 -22.8 9.6 115.2 95 109 A K T 4 S+ 0 0 195 1,-0.2 -1,-0.2 -79,-0.1 -77,-0.0 0.907 119.0 34.7 -67.9 -46.1 -25.7 10.8 117.2 96 110 A T T 4 S+ 0 0 60 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.689 132.8 25.5 -88.6 -21.6 -28.5 9.7 114.9 97 111 A F >< + 0 0 16 -4,-1.9 3,-1.4 1,-0.1 4,-0.3 -0.631 65.9 169.1-142.9 74.5 -27.0 6.4 113.6 98 112 A P T 3 S+ 0 0 77 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.724 74.6 58.3 -68.2 -22.3 -24.5 5.2 116.2 99 113 A Q T 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.514 74.2 98.7 -81.8 -6.5 -24.0 1.8 114.6 100 114 A L H <> S+ 0 0 8 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.885 81.6 51.4 -55.3 -43.7 -22.8 3.1 111.2 101 115 A G H > S+ 0 0 3 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.946 110.2 48.9 -56.1 -48.0 -19.1 2.5 111.9 102 116 A A H > S+ 0 0 57 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.874 110.8 50.7 -58.7 -40.2 -19.7 -1.1 113.0 103 117 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.915 107.9 52.5 -64.4 -45.8 -21.8 -1.7 109.8 104 118 A R H X S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.935 110.7 49.6 -50.9 -47.4 -18.9 -0.3 107.7 105 119 A D H X S+ 0 0 73 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.861 109.2 50.4 -61.3 -39.0 -16.7 -2.7 109.5 106 120 A D H X>S+ 0 0 15 -4,-1.9 5,-2.3 2,-0.2 4,-0.6 0.896 109.3 50.8 -65.7 -43.3 -19.1 -5.6 108.8 107 121 A I H ><5S+ 0 0 25 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.942 112.8 47.3 -61.6 -44.3 -19.2 -4.8 105.1 108 122 A E H 3<5S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.876 114.3 45.4 -62.8 -39.9 -15.3 -4.8 105.0 109 123 A A H 3<5S- 0 0 51 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.426 113.8-115.3 -86.6 4.4 -15.0 -8.1 107.0 110 124 A Q T <<5 + 0 0 113 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.758 63.7 149.2 66.2 27.1 -17.7 -9.8 104.8 111 125 A R < - 0 0 119 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.829 51.2-120.3 -87.3 119.6 -20.1 -10.2 107.7 112 126 A P + 0 0 47 0, 0.0 23,-0.4 0, 0.0 2,-0.3 -0.377 41.8 169.9 -59.8 137.5 -23.6 -10.1 106.4 113 127 A V E -E 187 0B 0 74,-2.1 74,-2.7 21,-0.1 2,-0.4 -0.990 18.2-160.3-152.6 137.3 -25.7 -7.3 107.9 114 128 A A E -EF 186 133B 0 19,-2.6 19,-2.9 -2,-0.3 2,-0.5 -0.933 8.2-149.9-116.4 146.2 -29.1 -5.7 107.2 115 129 A V E -EF 185 132B 12 70,-2.6 70,-3.2 -2,-0.4 2,-0.5 -0.986 11.8-165.2-114.2 124.4 -30.5 -2.4 108.2 116 130 A A E -EF 184 131B 0 15,-2.8 15,-2.6 -2,-0.5 2,-0.4 -0.956 10.6-176.8-111.3 116.4 -34.2 -2.2 108.7 117 131 A T E -EF 183 130B 11 66,-2.3 66,-3.0 -2,-0.5 2,-0.6 -0.929 28.9-124.9-118.6 135.1 -35.8 1.3 108.8 118 132 A V E +E 182 0B 0 11,-2.7 10,-3.6 -2,-0.4 64,-0.3 -0.664 34.4 167.4 -73.8 115.1 -39.4 2.4 109.4 119 133 A I E + 0 0 5 62,-2.5 2,-0.3 -2,-0.6 -44,-0.2 0.630 64.9 30.2-104.6 -20.0 -40.2 4.7 106.5 120 134 A T E +E 181 0B 40 61,-1.6 61,-1.9 6,-0.1 -1,-0.3 -0.990 67.1 142.6-141.9 129.3 -44.0 4.9 107.0 121 135 A H - 0 0 23 -2,-0.3 59,-0.2 59,-0.2 6,-0.1 -0.962 49.4-126.1-159.4 155.7 -46.0 4.8 110.1 122 136 A P S S+ 0 0 88 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.901 102.9 64.4 -67.4 -42.3 -49.1 6.5 111.7 123 137 A D S > S- 0 0 70 1,-0.2 3,-2.2 48,-0.1 4,-0.4 -0.771 80.0-153.0 -84.4 109.1 -47.3 7.5 114.8 124 138 A A G > S+ 0 0 78 -2,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.700 87.4 71.8 -62.5 -22.8 -44.7 10.0 113.4 125 139 A Q G 3 S+ 0 0 145 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.723 92.2 59.8 -62.5 -21.0 -42.3 9.3 116.2 126 140 A W G X S+ 0 0 26 -3,-2.2 3,-2.2 2,-0.1 -8,-0.3 0.759 76.4 110.7 -79.1 -27.3 -41.6 5.8 114.6 127 141 A I T < S+ 0 0 39 -3,-0.8 -8,-0.2 -4,-0.4 3,-0.1 -0.255 86.3 12.6 -57.1 125.0 -40.3 7.1 111.3 128 142 A G T 3 S+ 0 0 13 -10,-3.6 -1,-0.3 1,-0.4 2,-0.1 0.430 86.8 138.8 88.9 -0.4 -36.7 6.5 110.8 129 143 A R < - 0 0 75 -3,-2.2 -11,-2.7 -11,-0.2 -1,-0.4 -0.509 37.0-161.8 -66.9 146.5 -36.3 4.1 113.8 130 144 A R E -F 117 0B 27 11,-0.3 11,-0.5 -13,-0.2 2,-0.4 -0.958 25.4-151.2-140.2 153.5 -34.0 1.2 112.8 131 145 A L E -FG 116 140B 1 -15,-2.6 -15,-2.8 -2,-0.3 2,-0.6 -0.956 14.1-148.5-113.8 138.5 -32.9 -2.3 113.5 132 146 A V E -FG 115 139B 6 7,-2.5 7,-2.6 -2,-0.4 2,-0.5 -0.964 25.8-162.8-105.3 117.6 -29.4 -3.5 112.7 133 147 A V E +FG 114 138B 0 -19,-2.9 -19,-2.6 -2,-0.6 2,-0.2 -0.881 17.9 171.0-113.9 124.7 -29.8 -7.2 111.9 134 148 A H - 0 0 23 3,-3.2 3,-0.2 -2,-0.5 -21,-0.1 -0.691 49.2-100.7-110.9 175.9 -27.2 -10.0 111.8 135 149 A T S S+ 0 0 101 -23,-0.4 -22,-0.1 -2,-0.2 21,-0.1 0.916 123.3 22.3 -54.2 -44.0 -27.7 -13.7 111.5 136 150 A D S S+ 0 0 89 342,-0.0 343,-3.2 -3,-0.0 2,-0.3 0.208 126.2 39.9-115.0 3.1 -27.1 -14.1 115.2 137 151 A E E - H 0 478B 45 341,-0.2 -3,-3.2 -3,-0.2 2,-0.3 -0.994 50.3-162.0-156.9 151.6 -27.9 -10.7 116.6 138 152 A V E -GH 133 477B 15 339,-2.7 339,-2.5 -2,-0.3 2,-0.3 -0.979 9.8-169.3-140.7 134.8 -30.2 -7.7 116.4 139 153 A A E +GH 132 476B 15 -7,-2.6 -7,-2.5 -2,-0.3 337,-0.3 -0.929 48.3 27.1-117.6 148.3 -29.6 -4.1 117.8 140 154 A G E -G 131 0B 9 335,-2.7 2,-0.3 -2,-0.3 -9,-0.2 -0.310 69.4-106.6 101.2 177.1 -32.1 -1.2 118.1 141 155 A S - 0 0 47 -11,-0.5 -11,-0.3 -2,-0.1 4,-0.1 -0.981 7.7-157.1-149.8 136.1 -35.8 -1.0 118.6 142 156 A L - 0 0 0 -2,-0.3 -13,-0.1 2,-0.3 -1,-0.1 0.588 66.5 -94.1 -81.9 -14.5 -38.7 -0.1 116.4 143 157 A G S S+ 0 0 43 1,-0.1 2,-0.3 -3,-0.1 3,-0.1 0.324 99.8 59.4 119.4 -5.0 -40.7 0.7 119.5 144 158 A S S > S- 0 0 19 1,-0.1 4,-2.9 29,-0.0 -2,-0.3 -0.983 71.3-131.9-155.0 142.4 -42.6 -2.5 120.2 145 159 A S H > S+ 0 0 42 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.810 110.3 52.0 -63.6 -33.2 -41.6 -6.2 120.8 146 160 A R H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 111.3 45.5 -73.1 -43.7 -44.0 -7.4 118.2 147 161 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.952 114.1 49.8 -60.0 -49.5 -42.7 -5.1 115.6 148 162 A D H X S+ 0 0 23 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.915 112.1 48.3 -56.7 -45.2 -39.1 -6.0 116.5 149 163 A A H X S+ 0 0 22 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.919 114.7 43.7 -60.3 -49.0 -39.9 -9.7 116.4 150 164 A A H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.953 118.0 42.4 -64.2 -54.2 -41.6 -9.6 112.9 151 165 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.878 111.0 55.8 -62.5 -42.9 -39.1 -7.3 111.2 152 166 A T H X S+ 0 0 10 -4,-2.2 4,-2.0 -5,-0.4 -1,-0.2 0.958 111.2 45.4 -56.0 -50.2 -36.1 -9.1 112.7 153 167 A D H X S+ 0 0 66 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.925 115.8 43.9 -57.7 -52.8 -37.4 -12.4 111.2 154 168 A D H X S+ 0 0 43 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.836 111.5 54.8 -65.5 -34.8 -38.2 -11.0 107.8 155 169 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 -1,-0.2 0.888 105.3 52.3 -65.4 -41.9 -35.0 -9.1 107.6 156 170 A R H X S+ 0 0 59 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.848 108.6 52.0 -62.0 -36.3 -32.8 -12.2 108.2 157 171 A G H X S+ 0 0 47 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.904 113.0 43.2 -64.6 -44.9 -34.7 -13.9 105.4 158 172 A L H X>S+ 0 0 11 -4,-1.8 5,-2.8 2,-0.2 4,-0.6 0.899 113.4 52.6 -66.3 -43.9 -34.0 -11.1 103.0 159 173 A L H ><5S+ 0 0 8 -4,-3.2 3,-1.2 1,-0.2 -2,-0.2 0.906 104.0 55.8 -55.7 -44.5 -30.4 -10.9 104.2 160 174 A A H 3<5S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.3 97,-0.2 0.826 114.5 41.0 -61.2 -28.8 -29.9 -14.6 103.6 161 175 A A H 3<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.456 112.5-119.2 -93.6 -7.9 -31.0 -14.0 100.0 162 176 A G T <<5 + 0 0 30 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.723 64.6 148.2 73.2 23.4 -29.1 -10.7 99.6 163 177 A R < - 0 0 116 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.2 -0.694 38.4-158.4 -99.0 143.2 -32.4 -8.9 99.0 164 178 A S + 0 0 32 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.986 31.1 145.6-117.4 129.5 -33.5 -5.3 99.7 165 179 A E E -I 184 0B 61 19,-1.1 19,-3.1 -2,-0.4 2,-0.6 -0.972 50.0-105.8-155.3 160.1 -37.2 -4.6 99.9 166 180 A V E -I 183 0B 26 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.860 35.1-162.6 -93.5 119.5 -40.1 -2.7 101.5 167 181 A L E -I 182 0B 31 15,-2.7 15,-2.6 -2,-0.6 2,-0.4 -0.856 6.6-145.3-102.5 143.5 -42.1 -4.9 103.9 168 182 A T E +I 181 0B 62 -2,-0.4 8,-0.7 13,-0.2 2,-0.3 -0.909 25.1 160.1-115.8 131.6 -45.6 -3.8 105.0 169 183 A Y E -I 175 0B 3 11,-3.5 11,-2.7 -2,-0.4 6,-0.2 -0.873 41.9 -94.0-135.2 170.0 -47.2 -4.4 108.4 170 184 A G > - 0 0 1 4,-2.7 3,-2.6 -2,-0.3 9,-0.2 -0.350 60.3 -84.3 -71.0 172.3 -49.9 -3.1 110.7 171 185 A P T 3 S+ 0 0 51 0, 0.0 -24,-0.1 0, 0.0 -48,-0.1 0.621 130.8 42.1 -60.9 -18.7 -48.9 -0.5 113.2 172 186 A D T 3 S- 0 0 63 -26,-0.1 -29,-0.0 -25,-0.1 -26,-0.0 0.215 129.3 -90.0-111.1 18.7 -47.8 -3.0 115.8 173 187 A G S < S+ 0 0 2 -3,-2.6 2,-0.4 1,-0.3 -23,-0.1 0.750 70.6 161.7 81.1 24.5 -46.0 -5.2 113.3 174 188 A Q > - 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