==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE,ISOMERASE 25-MAR-11 3R9Q . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 715 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.2 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 . 3 0.4 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 . 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 . 41 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 4 1 3 6 3 1 0 5 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 6 0 3 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 3 0 0 0 3 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 3 0 3 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 6 A Q 0 0 133 0, 0.0 2,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 -11.2 9.9 65.8 -13.0 2 7 A P - 0 0 78 0, 0.0 16,-0.1 0, 0.0 3,-0.1 -0.434 360.0-138.1 -68.2 137.3 12.8 65.9 -10.5 3 8 A A S S+ 0 0 25 1,-0.2 15,-3.2 -2,-0.1 2,-0.4 0.823 90.5 30.8 -62.4 -33.1 16.0 64.4 -11.9 4 9 A V E +A 17 0A 23 13,-0.2 2,-0.3 2,-0.0 13,-0.2 -0.991 69.6 169.9-128.2 131.8 16.6 62.6 -8.6 5 10 A R E -A 16 0A 66 11,-2.2 11,-3.4 -2,-0.4 2,-0.5 -0.969 20.8-141.5-137.9 160.7 14.1 61.3 -6.1 6 11 A V E -A 15 0A 57 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.981 14.1-176.4-126.6 123.9 14.4 59.1 -3.0 7 12 A E E -A 14 0A 77 7,-2.6 7,-3.3 -2,-0.5 2,-0.4 -0.979 10.4-158.1-121.9 133.6 11.9 56.5 -1.9 8 13 A K E -A 13 0A 108 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.869 15.5-178.7-114.4 143.8 12.2 54.5 1.3 9 14 A A E > -A 12 0A 73 3,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.886 68.0 -59.5-139.8 101.9 10.8 51.1 2.4 10 15 A G T 3 S- 0 0 66 -2,-0.4 -1,-0.2 1,-0.3 36,-0.0 -0.304 121.1 -12.4 51.2-129.7 11.8 50.3 5.9 11 16 A P T 3 S+ 0 0 55 0, 0.0 37,-2.9 0, 0.0 38,-1.7 0.323 118.2 91.1 -88.5 16.6 15.5 50.2 6.1 12 17 A V E < -Ab 9 49A 6 -3,-2.0 -3,-2.3 36,-0.2 2,-0.5 -0.938 57.8-162.5-111.9 119.5 16.1 50.2 2.3 13 18 A T E -Ab 8 50A 1 36,-1.9 38,-2.3 -2,-0.6 2,-0.6 -0.878 3.7-157.3-101.6 122.9 16.5 53.5 0.6 14 19 A T E -Ab 7 51A 2 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.5 -0.894 2.2-159.0-102.4 120.0 16.1 53.7 -3.2 15 20 A V E -Ab 6 52A 0 36,-3.3 38,-2.4 -2,-0.6 2,-0.5 -0.874 16.1-155.6 -99.8 124.7 17.8 56.6 -4.9 16 21 A I E -Ab 5 53A 0 -11,-3.4 -11,-2.2 -2,-0.5 2,-0.5 -0.904 13.7-158.8-119.7 124.7 16.2 57.2 -8.3 17 22 A L E +Ab 4 54A 4 36,-2.3 38,-3.2 -2,-0.5 2,-0.3 -0.845 17.8 173.2 -97.8 126.2 17.6 58.8 -11.4 18 23 A N + 0 0 22 -15,-3.2 38,-0.1 -2,-0.5 36,-0.0 -0.744 23.6 133.0-142.1 90.8 14.9 60.1 -13.8 19 24 A R > > + 0 0 47 -2,-0.3 5,-2.1 36,-0.2 3,-1.4 -0.689 25.4 179.1-134.2 76.6 15.9 62.2 -17.0 20 25 A P G > 5S+ 0 0 72 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.865 77.4 47.3 -54.2 -44.3 13.9 60.5 -19.7 21 26 A H G 3 5S+ 0 0 201 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.672 116.2 45.6 -72.1 -18.6 14.9 62.7 -22.6 22 27 A A G X 5S- 0 0 30 -3,-1.4 3,-1.8 3,-0.1 -1,-0.3 0.125 111.7-114.7-109.8 14.9 18.6 62.5 -21.6 23 28 A R T < 5S- 0 0 45 -3,-1.2 38,-1.2 1,-0.3 39,-0.1 0.875 74.0 -60.9 50.2 43.5 18.7 58.7 -21.1 24 29 A N T 3 - 0 0 6 -2,-0.6 4,-2.6 36,-0.2 46,-0.2 -0.252 49.3 -78.9 -98.2-171.0 24.7 66.9 -15.5 28 33 A G H > S+ 0 0 3 44,-3.4 4,-2.2 2,-0.2 5,-0.2 0.956 129.2 41.4 -60.3 -53.9 26.1 69.2 -12.8 29 34 A P H > S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.895 114.7 52.2 -64.9 -37.2 22.8 69.8 -10.9 30 35 A T H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.926 109.1 51.0 -60.8 -42.3 21.9 66.1 -11.2 31 36 A A H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.906 109.2 50.2 -59.5 -43.1 25.3 65.1 -9.8 32 37 A A H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.8 48.3 -65.3 -39.6 24.9 67.4 -6.8 33 38 A A H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.887 110.5 50.5 -67.0 -43.1 21.4 65.9 -6.1 34 39 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.929 112.2 48.6 -59.3 -44.7 22.8 62.4 -6.4 35 40 A L H X S+ 0 0 42 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.918 111.3 49.3 -60.6 -44.0 25.5 63.4 -3.9 36 41 A A H X S+ 0 0 61 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.933 109.2 52.4 -63.7 -43.6 23.0 64.9 -1.6 37 42 A A H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 113.0 43.4 -59.2 -44.6 20.7 61.8 -1.7 38 43 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.840 111.1 54.6 -73.2 -29.7 23.7 59.5 -0.8 39 44 A T H X S+ 0 0 70 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.907 110.3 46.9 -65.0 -42.5 25.0 61.9 1.9 40 45 A E H X S+ 0 0 84 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.927 112.4 51.1 -60.0 -47.7 21.4 61.8 3.5 41 46 A F H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 6,-0.2 0.950 108.8 50.9 -57.1 -49.0 21.4 58.0 3.2 42 47 A D H 3< S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 115.1 41.9 -57.2 -37.8 24.8 57.7 4.9 43 48 A A H 3< S+ 0 0 78 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.623 90.1 102.1 -87.4 -15.4 23.7 59.9 7.9 44 49 A D X< - 0 0 25 -4,-1.5 3,-1.5 -3,-0.6 -4,-0.0 -0.615 56.1-162.3 -79.5 108.7 20.3 58.3 8.2 45 50 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.739 89.3 55.2 -61.0 -29.5 20.4 55.8 11.2 46 51 A E T 3 S+ 0 0 143 -36,-0.0 2,-0.5 2,-0.0 -2,-0.1 0.575 92.2 85.9 -78.7 -13.2 17.2 54.0 10.1 47 52 A A < + 0 0 1 -3,-1.5 -35,-0.2 -6,-0.2 3,-0.1 -0.805 44.4 166.0 -96.6 128.2 18.7 53.3 6.6 48 53 A S + 0 0 13 -37,-2.9 2,-0.4 -2,-0.5 -36,-0.2 0.762 64.4 15.8-106.8 -39.5 20.8 50.1 6.2 49 54 A V E -b 12 0A 0 -38,-1.7 -36,-1.9 44,-0.1 -1,-0.4 -0.998 65.1-149.2-142.2 138.6 21.2 49.5 2.5 50 55 A A E -bc 13 95A 0 44,-2.5 46,-2.4 -2,-0.4 2,-0.4 -0.759 1.0-153.4-107.3 158.7 20.6 51.6 -0.6 51 56 A V E -bc 14 96A 0 -38,-2.3 -36,-3.3 -2,-0.3 2,-0.5 -0.992 6.1-153.2-126.7 132.1 19.6 50.8 -4.1 52 57 A L E +bc 15 97A 2 44,-2.5 46,-2.8 -2,-0.4 2,-0.4 -0.964 25.4 171.5-108.4 119.0 20.5 53.0 -7.1 53 58 A W E -bc 16 98A 36 -38,-2.4 -36,-2.3 -2,-0.5 2,-0.5 -0.990 28.9-141.2-135.4 133.1 18.0 52.7 -9.9 54 59 A G E -b 17 0A 0 44,-0.8 3,-0.4 -2,-0.4 -36,-0.2 -0.797 26.0-139.1 -90.9 131.1 17.4 54.5 -13.2 55 60 A D S > S+ 0 0 26 -38,-3.2 3,-1.0 -2,-0.5 -36,-0.2 -0.290 71.8 36.7 -79.2 165.4 13.8 55.1 -14.1 56 61 A N T 3 S- 0 0 99 1,-0.2 -1,-0.2 -38,-0.1 3,-0.1 0.720 128.2 -51.1 65.6 31.4 12.1 54.8 -17.5 57 62 A G T 3 S+ 0 0 45 -3,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.456 116.6 68.9 96.8 -2.3 13.9 51.8 -19.0 58 63 A T < - 0 0 23 -3,-1.0 43,-0.3 43,-0.2 -1,-0.2 -0.980 59.6-144.6-148.8 159.3 17.6 52.6 -18.5 59 64 A F S S- 0 0 4 41,-1.2 2,-0.3 43,-1.0 44,-0.2 0.950 70.4 -40.0 -86.6 -71.3 20.2 53.1 -15.8 60 65 A C B -g 103 0C 0 42,-2.3 44,-2.0 40,-0.2 -36,-0.2 -0.870 31.3-156.9-170.1 123.9 22.6 55.9 -16.8 61 66 A A - 0 0 25 -38,-1.2 2,-0.3 1,-0.3 45,-0.2 0.412 54.2-113.8 -81.4 -1.1 24.2 57.0 -20.0 62 67 A G + 0 0 0 -38,-0.4 -36,-2.7 43,-0.2 -1,-0.3 -0.716 69.8 1.9 102.2-157.5 27.1 58.8 -18.2 63 68 A A B S-f 26 0B 20 -2,-0.3 2,-1.0 -38,-0.2 -36,-0.2 -0.365 83.5-101.7 -67.8 146.8 27.9 62.5 -18.0 64 69 A D > - 0 0 12 -38,-1.9 4,-1.4 1,-0.2 10,-0.2 -0.638 36.2-169.6 -76.0 102.5 25.4 64.8 -19.9 65 70 A L T 4 S+ 0 0 60 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.0 0.761 83.6 56.7 -69.8 -26.7 27.3 65.5 -23.1 66 71 A K T 4 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 7,-0.1 0.897 111.0 44.9 -67.8 -39.7 24.9 68.2 -24.2 67 72 A A T >4 S+ 0 0 0 5,-0.1 3,-1.7 -3,-0.1 6,-0.4 0.701 88.7 103.5 -78.5 -23.5 25.5 70.0 -20.9 68 73 A M T 3< S+ 0 0 59 -4,-1.4 3,-0.1 1,-0.3 4,-0.0 -0.367 82.3 31.3 -59.4 142.7 29.3 69.6 -20.9 69 74 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.3 5,-0.2 2,-0.3 0.480 111.3 87.6 81.8 4.1 30.9 72.9 -21.9 70 75 A T S X S- 0 0 73 -3,-1.7 3,-2.2 4,-0.0 -1,-0.3 -0.816 96.5 -93.8-127.6 171.8 28.1 74.9 -20.3 71 76 A D T 3 S+ 0 0 178 1,-0.3 -3,-0.1 -2,-0.3 -4,-0.1 0.656 124.1 54.4 -51.7 -24.9 27.1 76.3 -16.9 72 77 A R T 3 S+ 0 0 105 -5,-0.3 -44,-3.4 -44,-0.1 -1,-0.3 0.355 85.5 116.4 -95.1 4.5 25.2 73.1 -16.2 73 78 A G S < S- 0 0 14 -3,-2.2 -5,-0.1 -6,-0.4 -46,-0.1 -0.132 77.2 -76.4 -72.1 169.1 28.1 70.7 -16.9 74 79 A N - 0 0 25 -10,-0.2 2,-0.3 -48,-0.2 -5,-0.2 -0.296 48.3-115.9 -63.3 148.7 29.7 68.4 -14.3 75 80 A E - 0 0 104 8,-0.4 2,-0.7 7,-0.2 10,-0.1 -0.692 18.4-144.1 -88.7 142.4 32.0 70.0 -11.8 76 81 A L + 0 0 91 -2,-0.3 6,-0.1 4,-0.1 -1,-0.0 -0.884 24.0 174.6-113.1 96.8 35.7 69.0 -11.9 77 82 A H > - 0 0 60 -2,-0.7 3,-1.9 4,-0.6 623,-0.0 -0.917 26.4-146.9-108.0 117.5 37.1 68.8 -8.3 78 83 A P T 3 S+ 0 0 68 0, 0.0 622,-0.2 0, 0.0 -1,-0.1 0.812 100.4 28.7 -56.1 -32.7 40.7 67.5 -8.0 79 84 A H T 3 S- 0 0 146 1,-0.4 3,-0.1 2,-0.1 618,-0.1 0.090 120.7 -96.2-114.9 21.9 40.0 65.8 -4.6 80 85 A G S < S+ 0 0 24 -3,-1.9 -1,-0.4 1,-0.4 2,-0.2 0.007 75.7 150.3 92.3 162.1 36.3 65.1 -5.1 81 86 A P S S- 0 0 50 0, 0.0 -4,-0.6 0, 0.0 -1,-0.4 0.450 72.1-119.8 -70.0 155.8 33.4 65.0 -5.2 82 87 A G > - 0 0 5 3,-0.4 3,-1.7 -2,-0.2 -7,-0.2 -0.235 21.9-105.6 -66.5 157.7 33.5 63.1 -8.5 83 88 A P T 3 S+ 0 0 10 0, 0.0 -8,-0.4 0, 0.0 -52,-0.1 0.818 119.6 53.7 -56.4 -34.5 31.9 64.5 -11.6 84 89 A M T 3 S- 0 0 0 53,-0.1 -50,-0.1 1,-0.1 -49,-0.1 0.579 117.2-111.5 -78.6 -11.3 29.0 62.1 -11.5 85 90 A G S < S+ 0 0 4 -3,-1.7 -3,-0.4 -10,-0.1 3,-0.3 -0.771 96.6 26.2 124.1 -84.5 28.2 63.1 -7.9 86 91 A P S > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.0 0.331 81.7 112.6 -97.7 10.6 28.8 60.3 -5.4 87 92 A S T 3 S+ 0 0 0 1,-0.3 51,-0.0 -5,-0.1 -7,-0.0 0.617 86.7 37.9 -65.4 -14.6 31.6 58.4 -7.3 88 93 A R T 3 S+ 0 0 41 -3,-0.3 2,-0.5 -6,-0.1 -1,-0.3 0.280 89.8 113.5-113.9 5.9 34.3 59.3 -4.7 89 94 A L < - 0 0 43 -3,-2.0 2,-1.1 1,-0.1 -9,-0.0 -0.685 57.7-150.4 -79.8 125.0 32.1 59.0 -1.7 90 95 A R - 0 0 130 -2,-0.5 -3,-0.1 2,-0.0 -1,-0.1 -0.782 21.3-152.5 -94.3 92.0 33.1 56.2 0.6 91 96 A L - 0 0 6 -2,-1.1 4,-0.1 1,-0.1 -52,-0.1 -0.338 17.5-138.8 -67.8 149.0 29.7 55.3 2.2 92 97 A S S S+ 0 0 48 2,-0.1 115,-0.1 -2,-0.0 -1,-0.1 0.535 90.5 41.8 -77.2 -8.7 29.5 53.7 5.6 93 98 A K S S- 0 0 5 113,-0.1 -44,-0.1 114,-0.0 -2,-0.1 -0.948 94.3 -89.9-140.8 156.1 26.8 51.3 4.3 94 99 A P - 0 0 0 0, 0.0 -44,-2.5 0, 0.0 2,-0.3 -0.235 26.7-159.0 -77.7 158.9 26.3 49.3 1.1 95 100 A V E -c 50 0A 2 -46,-0.2 20,-2.3 18,-0.1 21,-1.3 -0.991 5.1-152.2-134.4 136.8 24.5 50.2 -2.2 96 101 A I E -cd 51 116A 2 -46,-2.4 -44,-2.5 -2,-0.3 2,-0.3 -0.957 14.7-136.7-111.9 122.9 23.1 47.9 -4.9 97 102 A A E -cd 52 117A 0 19,-3.1 21,-2.9 -2,-0.5 2,-0.6 -0.631 11.6-161.1 -76.2 134.4 22.9 49.0 -8.5 98 103 A A E -cd 53 118A 0 -46,-2.8 -44,-0.8 -2,-0.3 2,-0.5 -0.909 18.8-165.5-119.8 99.4 19.6 48.1 -10.2 99 104 A I E + d 0 119A 0 19,-2.8 21,-1.9 -2,-0.6 2,-0.3 -0.787 20.5 165.2-108.5 118.3 20.4 48.3 -13.9 100 105 A S - 0 0 3 -2,-0.5 -41,-1.2 2,-0.2 -40,-0.2 -0.767 65.7 -13.3-110.3 163.2 18.0 48.4 -16.8 101 106 A G S S+ 0 0 10 -43,-0.3 23,-2.7 -2,-0.3 2,-0.4 -0.169 119.9 4.3 53.4-119.5 18.9 49.3 -20.4 102 107 A H E + h 0 124C 81 21,-0.2 -42,-2.3 -79,-0.1 -43,-1.0 -0.827 42.9 177.4-109.6 133.1 22.4 51.0 -20.6 103 108 A A E +gh 60 125C 0 21,-2.4 23,-1.4 -2,-0.4 2,-0.3 -0.860 38.5 151.2-123.3 92.0 25.0 51.6 -17.8 104 109 A V E > - h 0 126C 7 -44,-2.0 3,-2.3 -2,-0.4 23,-0.2 -0.917 48.1 -15.7-131.4 153.9 27.7 53.1 -19.9 105 110 A A T >> S+ 0 0 3 21,-2.0 4,-1.9 -2,-0.3 3,-1.6 -0.312 139.1 5.0 54.0-130.7 30.6 55.6 -19.5 106 111 A G H 3> S+ 0 0 5 1,-0.3 4,-2.0 -45,-0.2 -1,-0.3 0.770 133.8 61.8 -49.7 -24.6 30.0 57.5 -16.2 107 112 A G H <> S+ 0 0 0 -3,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.846 100.5 48.7 -74.2 -33.8 27.1 55.1 -15.7 108 113 A I H <> S+ 0 0 0 -3,-1.6 4,-2.4 18,-0.3 -2,-0.2 0.899 110.3 54.9 -69.9 -32.8 29.3 52.1 -15.7 109 114 A E H X S+ 0 0 5 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.899 106.9 48.1 -67.2 -38.7 31.4 54.0 -13.1 110 115 A L H X S+ 0 0 2 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.911 111.6 51.3 -64.9 -41.5 28.4 54.6 -10.9 111 116 A A H < S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.2 -14,-0.2 0.901 110.9 48.1 -57.8 -43.4 27.5 50.8 -11.2 112 117 A L H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 104.4 59.5 -71.4 -30.0 31.1 49.9 -10.3 113 118 A W H < S+ 0 0 23 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.794 92.9 85.9 -68.4 -29.0 31.0 52.3 -7.2 114 119 A C S < S- 0 0 4 -4,-1.3 -18,-0.2 -3,-0.3 3,-0.1 -0.326 86.0-127.3 -66.3 157.2 28.1 50.3 -5.9 115 120 A D S S+ 0 0 9 -20,-2.3 2,-0.3 1,-0.2 -19,-0.2 0.821 88.4 14.1 -79.2 -34.7 28.9 47.2 -3.9 116 121 A L E -d 96 0A 0 -21,-1.3 -19,-3.1 272,-0.1 2,-0.4 -0.972 67.3-144.7-140.5 160.0 26.7 44.8 -6.0 117 122 A R E -d 97 0A 1 -2,-0.3 58,-2.7 -21,-0.2 59,-1.7 -0.988 8.1-172.0-134.3 120.5 25.0 45.0 -9.4 118 123 A V E -de 98 176A 2 -21,-2.9 -19,-2.8 -2,-0.4 2,-0.3 -0.956 19.5-173.9-108.0 121.0 21.7 43.4 -10.4 119 124 A V E -de 99 177A 0 57,-3.1 59,-2.7 -2,-0.5 2,-0.2 -0.894 24.4-117.3-122.9 153.4 21.0 43.7 -14.1 120 125 A E E > - e 0 178A 9 -21,-1.9 3,-2.5 -2,-0.3 59,-0.2 -0.548 36.7-108.2 -83.0 151.4 18.2 42.9 -16.5 121 126 A E T 3 S+ 0 0 116 57,-2.2 44,-0.4 1,-0.3 45,-0.3 0.710 118.2 42.2 -56.1 -27.6 18.7 40.2 -19.2 122 127 A D T 3 S+ 0 0 64 42,-0.1 -1,-0.3 43,-0.1 -22,-0.1 0.343 88.2 119.6-102.3 6.9 18.8 42.8 -22.0 123 128 A A < - 0 0 0 -3,-2.5 42,-0.8 -24,-0.2 2,-0.4 -0.309 48.3-149.6 -73.1 157.6 21.0 45.4 -20.2 124 129 A V E -hI 102 164C 13 -23,-2.7 -21,-2.4 40,-0.2 2,-0.4 -0.994 9.2-169.5-131.3 130.0 24.3 46.6 -21.6 125 130 A L E +hI 103 163C 0 38,-2.7 38,-3.0 -2,-0.4 2,-0.3 -0.925 23.7 141.4-112.9 149.8 27.4 47.8 -19.7 126 131 A G E -h 104 0C 0 -23,-1.4 -21,-2.0 -2,-0.4 2,-1.4 -0.938 59.7-108.9-179.1 157.8 30.4 49.4 -21.4 127 132 A V > + 0 0 0 34,-0.5 3,-1.6 29,-0.4 4,-0.3 -0.584 50.6 159.2 -88.7 68.6 33.2 52.1 -21.5 128 133 A F T >> + 0 0 20 -2,-1.4 3,-1.3 1,-0.3 4,-0.6 0.707 58.0 77.9 -74.7 -17.8 31.4 53.9 -24.3 129 134 A C H 3>>S+ 0 0 3 1,-0.3 5,-1.6 2,-0.2 4,-1.3 0.645 76.6 78.7 -63.6 -15.4 33.3 57.2 -23.5 130 135 A R H <45S+ 0 0 0 -3,-1.6 3,-0.5 1,-0.2 -1,-0.3 0.925 91.5 51.3 -55.5 -43.8 36.2 55.5 -25.3 131 136 A R H <45S+ 0 0 115 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.846 114.8 41.8 -60.5 -37.4 34.5 56.4 -28.6 132 137 A W H <5S- 0 0 87 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.525 107.1-119.0 -92.3 -14.2 34.1 60.1 -27.6 133 138 A G T <5 + 0 0 8 -4,-1.3 -3,-0.2 -3,-0.5 -2,-0.1 0.707 65.6 140.4 76.7 21.3 37.6 60.6 -26.0 134 139 A V < - 0 0 28 -5,-1.6 -1,-0.3 576,-0.0 -2,-0.1 -0.870 48.5-130.1 -97.6 121.6 36.1 61.4 -22.6 135 140 A P - 0 0 12 0, 0.0 2,-0.9 0, 0.0 542,-0.1 -0.283 18.7-102.5 -75.0 155.8 38.3 59.9 -19.8 136 141 A L + 0 0 1 540,-0.2 5,-0.2 1,-0.1 3,-0.1 -0.691 54.6 152.9 -73.1 105.3 37.2 57.7 -16.9 137 142 A I + 0 0 23 -2,-0.9 -1,-0.1 1,-0.1 -53,-0.1 -0.017 55.1 75.0-128.1 27.2 37.4 60.2 -14.0 138 143 A D S S- 0 0 7 -56,-0.1 -1,-0.1 -55,-0.1 -25,-0.1 -0.095 122.1 -81.5-126.2 35.6 34.7 58.6 -11.8 139 144 A G S >> S+ 0 0 1 -3,-0.1 4,-3.1 557,-0.1 3,-1.1 0.395 90.9 127.8 89.4 0.7 36.9 55.7 -10.5 140 145 A G H 3> S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -3,-0.1 0.799 73.3 53.5 -57.2 -31.6 36.5 53.3 -13.5 141 146 A T H 34 S+ 0 0 0 -5,-0.2 -1,-0.2 2,-0.2 546,-0.1 0.714 117.2 38.5 -79.6 -20.0 40.2 52.8 -13.9 142 147 A I H <> S+ 0 0 0 -3,-1.1 4,-1.2 2,-0.1 -2,-0.2 0.862 121.0 41.6 -92.4 -46.4 40.6 51.9 -10.3 143 148 A R H X S+ 0 0 18 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.849 106.2 59.5 -77.8 -35.0 37.4 49.8 -9.8 144 149 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 5,-0.4 0.977 109.4 42.3 -61.5 -51.8 37.3 47.8 -13.0 145 150 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.903 118.2 46.8 -62.9 -34.9 40.7 46.1 -12.4 146 151 A R H < S+ 0 0 10 -4,-1.2 238,-2.3 2,-0.2 -2,-0.2 0.862 115.5 44.8 -71.6 -36.1 40.0 45.5 -8.8 147 152 A L H < S+ 0 0 10 -4,-2.7 238,-1.0 236,-0.2 239,-0.5 0.883 133.9 10.8 -74.8 -41.5 36.4 44.1 -9.3 148 153 A I H < S- 0 0 16 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.362 112.8 -89.1-126.6 5.3 37.1 41.8 -12.3 149 154 A G X - 0 0 10 -4,-1.5 4,-1.9 -5,-0.4 473,-0.2 0.047 38.4 -91.3 99.0 149.3 40.9 41.4 -12.7 150 155 A H H > S+ 0 0 20 471,-2.4 4,-2.8 2,-0.2 472,-0.2 0.858 118.7 58.0 -64.4 -37.3 43.3 43.5 -14.7 151 156 A S H > S+ 0 0 1 471,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.972 112.8 37.0 -61.4 -54.4 43.1 41.4 -17.9 152 157 A R H > S+ 0 0 31 470,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.875 114.6 58.2 -64.5 -37.0 39.3 41.7 -18.4 153 158 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.921 104.5 49.8 -58.6 -45.0 39.5 45.3 -17.2 154 159 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.4 0.852 107.2 56.0 -64.4 -34.2 42.0 46.2 -19.9 155 160 A D H X S+ 0 0 4 -4,-1.5 4,-2.2 -5,-0.2 5,-0.4 0.983 112.5 40.7 -58.4 -56.2 39.7 44.6 -22.5 156 161 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -29,-0.4 0.867 118.4 46.9 -63.7 -38.4 36.7 46.8 -21.5 157 162 A I H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.953 116.5 40.5 -69.8 -51.2 38.8 49.9 -21.1 158 163 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.897 125.1 35.1 -68.0 -39.9 40.8 49.8 -24.3 159 164 A T H < S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.717 83.0-149.3 -88.6 -25.4 38.0 48.6 -26.6 160 165 A G < + 0 0 1 -4,-1.6 -29,-0.1 -5,-0.4 -4,-0.1 0.624 41.2 164.2 62.5 15.3 35.0 50.4 -25.1 161 166 A R - 0 0 48 -6,-0.3 -34,-0.5 1,-0.1 2,-0.2 -0.149 41.9-101.4 -69.9 155.7 33.0 47.4 -26.3 162 167 A P - 0 0 51 0, 0.0 2,-0.5 0, 0.0 -36,-0.2 -0.497 28.8-155.2 -74.1 143.1 29.5 46.6 -25.1 163 168 A V E -I 125 0C 0 -38,-3.0 -38,-2.7 -2,-0.2 2,-0.1 -0.979 9.7-150.8-120.7 117.5 29.1 43.8 -22.5 164 169 A H E > -I 124 0C 110 -2,-0.5 4,-2.8 -40,-0.2 5,-0.2 -0.300 31.8 -96.0 -82.0 170.1 25.7 42.0 -22.4 165 170 A A H > S+ 0 0 0 -42,-0.8 4,-2.5 -44,-0.4 5,-0.2 0.849 118.0 51.2 -61.7 -43.4 24.2 40.5 -19.2 166 171 A N H > S+ 0 0 123 -45,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.954 116.2 41.1 -62.0 -50.0 25.4 36.9 -19.7 167 172 A E H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 6,-0.3 0.933 112.6 56.8 -59.1 -42.9 29.0 37.8 -20.3 168 173 A A H <>S+ 0 0 0 -4,-2.8 5,-1.6 1,-0.2 6,-1.5 0.900 112.1 42.0 -56.3 -42.2 28.8 40.5 -17.5 169 174 A L H ><5S+ 0 0 64 -4,-2.5 3,-1.4 4,-0.2 -1,-0.2 0.922 110.7 55.5 -71.0 -46.0 27.7 37.8 -15.1 170 175 A D H 3<5S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 112.6 42.5 -55.4 -40.4 30.2 35.2 -16.3 171 176 A I T 3<5S- 0 0 9 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.376 115.2-110.6 -90.5 3.5 33.1 37.5 -15.7 172 177 A G T < 5S+ 0 0 2 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.558 83.0 123.5 81.2 7.5 31.9 38.9 -12.3 173 178 A L S - 0 0 46 -2,-0.2 3,-2.3 -59,-0.2 4,-0.3 -0.199 63.4 -76.5 -67.9 159.9 14.1 39.5 -16.3 180 185 A R T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.1 -80,-0.1 -0.271 121.0 16.8 -54.0 138.0 13.4 42.7 -18.1 181 186 A G T 3 S+ 0 0 54 -3,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.275 105.7 92.3 78.8 -9.8 11.6 45.1 -15.8 182 187 A Q <> + 0 0 81 -3,-2.3 4,-2.8 1,-0.2 5,-0.3 0.535 51.5 93.8 -96.0 -6.6 12.6 43.2 -12.7 183 188 A A H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.889 84.7 49.5 -57.7 -48.7 15.9 44.9 -11.6 184 189 A R H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.947 116.3 42.5 -56.2 -49.2 14.5 47.4 -9.2 185 190 A E H > S+ 0 0 122 -4,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.922 114.3 49.5 -66.2 -45.0 12.5 44.8 -7.3 186 191 A A H X S+ 0 0 27 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.924 113.4 47.7 -59.2 -42.7 15.2 42.2 -7.3 187 192 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 -2,-0.2 0.922 111.4 49.6 -65.7 -44.1 17.7 44.8 -6.0 188 193 A E H X S+ 0 0 50 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.887 111.2 50.1 -63.5 -35.0 15.3 46.0 -3.3 189 194 A T H X S+ 0 0 74 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.962 112.7 46.5 -65.9 -46.5 14.7 42.3 -2.2 190 195 A L H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 112.6 50.1 -61.1 -45.2 18.5 41.7 -2.1 191 196 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.894 109.4 51.1 -60.2 -41.7 18.9 44.9 -0.1 192 197 A A H X S+ 0 0 49 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.881 109.4 51.6 -64.2 -38.4 16.2 43.9 2.3 193 198 A E H >X S+ 0 0 108 -4,-2.4 3,-0.6 2,-0.2 4,-0.5 0.944 111.4 45.6 -64.5 -45.5 17.9 40.5 2.9 194 199 A I H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.894 110.4 55.2 -66.0 -36.9 21.2 42.2 3.6 195 200 A A H 3< S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 97.8 63.6 -69.0 -21.7 19.5 44.7 5.9 196 201 A A H << S+ 0 0 88 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.652 88.9 86.7 -75.3 -16.0 17.9 41.8 8.0 197 202 A F S << S- 0 0 20 -3,-1.1 2,-0.2 -4,-0.5 168,-0.1 -0.428 105.3 -75.8 -80.0 160.2 21.4 40.6 9.1 198 203 A P > - 0 0 59 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.394 50.8-150.5 -56.5 122.9 23.1 42.0 12.1 199 204 A Q H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.821 83.5 55.5 -80.3 -38.1 24.3 45.4 10.8 200 205 A Q H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 111.1 50.4 -64.6 -33.7 27.5 46.4 12.7 201 206 A C H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.945 109.1 49.7 -66.2 -47.7 28.9 43.0 11.5 202 207 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.932 114.8 45.9 -52.2 -47.8 27.9 43.6 7.9 203 208 A R H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.861 110.3 51.4 -70.2 -36.9 29.5 47.1 8.0 204 209 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.932 114.6 44.0 -62.6 -44.8 32.8 45.9 9.8 205 210 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 115.5 47.5 -68.3 -47.3 33.3 43.2 7.1 206 211 A R H X S+ 0 0 11 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.945 111.1 50.4 -56.7 -51.0 32.4 45.5 4.2 207 212 A D H X S+ 0 0 45 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.870 113.0 47.1 -61.5 -38.5 34.7 48.3 5.4 208 213 A S H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.899 108.2 54.0 -67.3 -44.3 37.6 45.9 5.8 209 214 A A H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.862 116.6 40.1 -58.3 -36.3 37.1 44.3 2.4 210 215 A I H >< S+ 0 0 20 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.935 115.8 48.9 -76.6 -48.9 37.3 47.8 0.9 211 216 A A H 3< S+ 0 0 28 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.799 97.6 69.0 -63.4 -32.8 40.1 49.2 3.0 212 217 A Q T >< S+ 0 0 0 -4,-2.4 3,-2.6 -5,-0.1 -1,-0.2 0.753 70.8 111.3 -61.9 -24.6 42.4 46.2 2.5 213 218 A W T < S+ 0 0 23 -3,-1.1 479,-0.3 -4,-0.3 3,-0.1 -0.300 90.2 8.6 -55.8 123.1 43.0 47.0 -1.2 214 219 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 477,-0.1 2,-0.2 0.288 103.5 118.8 89.6 -9.3 46.6 48.2 -1.6 215 220 A M S < S- 0 0 60 -3,-2.6 -1,-0.3 -4,-0.1 2,-0.1 -0.589 72.2-108.7 -86.6 148.3 47.6 47.2 2.0 216 221 A A > - 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0 0 57 -2,-0.2 3,-2.0 -59,-0.2 4,-0.3 -0.213 64.5 -71.9 -72.9 163.0 33.6 13.0 -6.4 414 185 B R T 3 S+ 0 0 157 1,-0.3 -1,-0.2 2,-0.1 -80,-0.1 -0.204 121.1 15.5 -52.7 139.1 32.1 12.5 -2.9 415 186 B G T 3 S+ 0 0 56 -3,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.324 105.9 91.1 77.2 -7.9 34.7 11.0 -0.5 416 187 B Q <> + 0 0 85 -3,-2.0 4,-2.8 1,-0.1 5,-0.3 0.434 50.3 95.2-100.7 -2.3 37.7 11.8 -2.8 417 188 B A H > S+ 0 0 0 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.927 86.3 49.8 -59.4 -44.8 38.9 15.2 -1.7 418 189 B R H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 115.4 41.8 -61.7 -48.2 41.6 13.9 0.6 419 190 B E H > S+ 0 0 115 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.921 115.6 49.3 -63.2 -47.7 43.1 11.5 -1.9 420 191 B A H X S+ 0 0 26 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.901 112.8 48.0 -60.3 -42.0 42.9 14.1 -4.8 421 192 B A H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.894 111.7 49.8 -64.8 -40.8 44.5 16.8 -2.6 422 193 B E H X S+ 0 0 52 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.855 111.2 49.7 -67.8 -35.0 47.3 14.4 -1.5 423 194 B T H X S+ 0 0 73 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 112.7 45.8 -66.9 -46.9 47.9 13.5 -5.1 424 195 B L H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.932 111.5 53.2 -62.4 -44.1 48.1 17.1 -6.2 425 196 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.882 109.0 49.4 -56.0 -39.0 50.4 17.8 -3.2 426 197 B A H X S+ 0 0 50 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.864 108.1 53.6 -72.5 -36.1 52.8 15.0 -4.3 427 198 B E H >< S+ 0 0 108 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.948 112.3 43.8 -57.9 -49.0 52.8 16.4 -7.8 428 199 B I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.898 110.8 55.9 -65.5 -39.4 53.9 19.8 -6.5 429 200 B A H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 98.4 63.7 -63.7 -24.4 56.4 18.1 -4.1 430 201 B A T << S+ 0 0 85 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.626 88.3 83.6 -79.0 -13.9 58.1 16.4 -7.1 431 202 B F S < S- 0 0 24 -3,-1.3 2,-0.2 -4,-0.4 175,-0.1 -0.431 105.7 -73.7 -82.2 164.3 59.2 19.7 -8.7 432 203 B P > - 0 0 40 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.410 51.1-153.4 -61.5 126.5 62.4 21.5 -7.7 433 204 B Q H > S+ 0 0 22 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.802 82.6 56.4 -84.6 -35.4 61.3 23.0 -4.3 434 205 B Q H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 111.6 48.5 -61.7 -37.6 63.4 26.1 -3.8 435 206 B C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 110.2 50.2 -67.7 -44.9 62.1 27.3 -7.1 436 207 B V H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.919 113.9 46.6 -52.8 -46.2 58.4 26.5 -6.2 437 208 B R H X S+ 0 0 35 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.864 110.2 51.6 -72.9 -36.8 58.9 28.4 -2.9 438 209 B A H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.955 113.9 43.6 -60.8 -51.5 60.6 31.4 -4.5 439 210 B D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.930 116.3 48.0 -62.3 -43.4 57.7 31.8 -7.0 440 211 B R H X S+ 0 0 13 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.942 110.4 50.1 -62.5 -49.0 55.1 31.2 -4.3 441 212 B D H X S+ 0 0 44 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.876 113.0 47.3 -60.5 -36.9 56.6 33.6 -1.8 442 213 B S H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.901 107.9 54.4 -72.5 -40.0 56.8 36.3 -4.5 443 214 B A H < S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.848 116.8 39.9 -60.5 -32.9 53.2 35.8 -5.7 444 215 B I H >< S+ 0 0 48 -4,-1.9 3,-1.0 -5,-0.2 -2,-0.2 0.930 115.4 48.4 -78.9 -50.6 52.1 36.3 -2.1 445 216 B A H 3< S+ 0 0 49 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.799 98.5 69.8 -64.1 -32.2 54.4 39.2 -1.1 446 217 B Q T >< S+ 0 0 0 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.741 70.8 107.5 -63.0 -27.5 53.6 41.3 -4.2 447 218 B W T < S+ 0 0 22 -3,-1.0 -230,-0.3 -4,-0.3 3,-0.1 -0.298 90.9 11.0 -55.9 132.4 50.1 42.1 -3.1 448 219 B G T 3 S+ 0 0 17 1,-0.3 -1,-0.3 -232,-0.1 -232,-0.2 0.080 104.5 116.4 84.5 -21.0 49.8 45.7 -2.0 449 220 B M S < S- 0 0 57 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.1 -0.442 74.7-106.2 -79.3 149.6 53.3 46.5 -3.4 450 221 B A > - 0 0 60 -2,-0.1 4,-2.6 239,-0.1 3,-0.2 -0.478 38.0-112.0 -67.8 145.7 54.0 48.9 -6.2 451 222 B E H > S+ 0 0 26 237,-0.3 4,-2.4 1,-0.2 5,-0.2 0.860 114.2 52.9 -52.4 -40.2 54.9 47.0 -9.4 452 223 B E H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 111.1 43.5 -65.6 -50.4 58.5 48.2 -9.4 453 224 B A H > S+ 0 0 43 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 112.8 55.2 -58.8 -39.5 59.2 47.2 -5.8 454 225 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.906 108.5 47.5 -61.7 -41.5 57.4 43.8 -6.5 455 226 B L H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.861 108.9 53.8 -67.7 -38.3 59.7 43.2 -9.5 456 227 B D H X S+ 0 0 51 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.881 111.7 45.8 -63.6 -42.0 62.8 44.0 -7.4 457 228 B N H >< S+ 0 0 81 -4,-2.1 3,-1.1 1,-0.2 4,-0.2 0.894 109.1 55.1 -63.9 -44.4 61.7 41.5 -4.8 458 229 B E H >< S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.859 96.8 64.9 -58.0 -39.2 60.9 38.9 -7.5 459 230 B F H >< S+ 0 0 43 -4,-1.9 3,-1.7 1,-0.3 4,-0.4 0.771 86.0 74.2 -53.1 -32.9 64.5 39.2 -8.9 460 231 B G T S+ 0 0 4 -3,-2.0 4,-1.7 -4,-0.2 -1,-0.3 0.779 80.7 65.3 -60.4 -26.8 64.4 34.3 -6.7 462 233 B I H <> S+ 0 0 42 -3,-1.7 4,-0.6 1,-0.2 3,-0.3 0.961 105.3 42.3 -59.9 -50.8 67.6 33.9 -8.8 463 234 B E H >4 S+ 0 0 164 -4,-0.4 3,-1.1 -3,-0.3 4,-0.4 0.901 109.6 59.4 -62.3 -41.4 69.7 33.8 -5.6 464 235 B R H 3< S+ 0 0 100 -4,-1.9 4,-0.3 1,-0.3 3,-0.3 0.860 111.8 38.7 -58.7 -35.0 67.2 31.6 -3.8 465 236 B V H 3X S+ 0 0 8 -4,-1.7 4,-3.0 -3,-0.3 5,-0.3 0.486 83.5 107.7 -95.0 -0.4 67.5 28.8 -6.4 466 237 B A H S+ 0 0 103 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.951 116.5 49.1 -66.1 -45.5 72.2 25.8 -5.2 468 239 B E H > S+ 0 0 32 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.875 107.0 56.4 -61.5 -40.4 69.3 23.9 -6.6 469 240 B A H < S+ 0 0 55 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.908 109.0 46.4 -58.3 -43.9 70.0 25.1 -10.2 470 241 B L H >< S+ 0 0 141 -4,-1.6 3,-1.2 -5,-0.3 4,-0.3 0.910 108.9 54.8 -67.0 -41.8 73.6 23.6 -9.9 471 242 B E H 3< S+ 0 0 156 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.890 115.3 40.2 -55.1 -39.8 72.2 20.4 -8.5 472 243 B G T 3< S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.396 86.3 106.0 -90.3 3.8 70.0 20.1 -11.5 473 244 B A < 0 0 79 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.796 360.0 360.0 -57.1 -38.7 72.5 21.3 -14.1 474 245 B G 0 0 120 -3,-0.4 -3,-0.0 -4,-0.3 0, 0.0 -0.114 360.0 360.0-138.2 360.0 73.3 18.0 -15.8 475 !* 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 0.0 476 6 C Q 0 0 206 0, 0.0 2,-0.2 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 25.8 66.5 35.4 -40.4 477 7 C P - 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0 0 47 -2,-0.3 3,-2.2 -59,-0.2 4,-0.2 -0.274 62.8 -77.2 -70.6 155.6 41.2 30.0 -35.6 655 185 C R T 3 S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.1 -80,-0.1 -0.193 120.5 21.2 -51.1 138.3 44.6 28.5 -36.2 656 186 C G T 3 S+ 0 0 55 -3,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.212 105.2 89.9 84.3 -13.0 46.8 30.8 -38.4 657 187 C Q <> + 0 0 82 -3,-2.2 4,-2.8 1,-0.2 5,-0.3 0.418 50.4 94.4-100.9 -0.6 44.7 33.9 -37.5 658 188 C A H > S+ 0 0 0 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.932 86.8 48.5 -62.8 -47.4 46.4 35.4 -34.3 659 189 C R H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.953 116.7 42.5 -59.4 -51.0 48.6 37.9 -36.0 660 190 C E H > S+ 0 0 117 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.916 116.0 47.5 -61.1 -46.8 45.8 39.2 -38.2 661 191 C A H X S+ 0 0 28 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.901 113.7 48.5 -62.1 -42.3 43.1 39.3 -35.5 662 192 C A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.897 111.8 49.9 -64.4 -40.7 45.6 41.1 -33.1 663 193 C E H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.863 111.4 48.4 -65.9 -36.4 46.5 43.6 -35.8 664 194 C T H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.929 112.6 47.6 -69.3 -45.5 42.8 44.3 -36.5 665 195 C L H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 111.2 52.6 -60.4 -41.8 42.1 44.7 -32.8 666 196 C A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.903 108.1 50.0 -59.7 -44.6 45.1 47.0 -32.6 667 197 C A H X S+ 0 0 49 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.875 108.1 53.9 -63.6 -37.2 43.8 49.2 -35.4 668 198 C E H >< S+ 0 0 109 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.943 111.4 44.4 -60.7 -46.7 40.4 49.4 -33.7 669 199 C I H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.913 111.0 54.7 -65.5 -40.8 42.1 50.7 -30.5 670 200 C A H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.719 97.9 64.6 -65.0 -23.1 44.3 53.1 -32.6 671 201 C A T << S+ 0 0 86 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.640 88.2 84.7 -76.5 -13.3 41.2 54.6 -34.2 672 202 C F S < S- 0 0 45 -3,-1.4 2,-0.3 -4,-0.4 -541,-0.1 -0.443 106.7 -74.8 -80.1 162.1 39.9 56.1 -30.9 673 203 C P > - 0 0 39 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 -0.469 52.2-151.7 -56.9 120.7 41.2 59.4 -29.5 674 204 C Q H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.792 84.0 56.0 -79.7 -34.3 44.6 58.4 -28.3 675 205 C Q H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 110.7 49.4 -69.8 -32.3 45.4 60.7 -25.4 676 206 C C H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.922 110.3 50.2 -67.2 -46.2 42.2 59.5 -23.8 677 207 C V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.933 114.3 44.8 -51.3 -49.3 43.1 55.8 -24.4 678 208 C R H X S+ 0 0 35 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.854 110.4 53.3 -73.2 -36.2 46.6 56.4 -22.9 679 209 C A H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.950 113.3 43.3 -58.5 -49.8 45.3 58.4 -19.9 680 210 C D H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.929 116.6 47.4 -65.9 -46.6 42.8 55.6 -18.9 681 211 C R H X S+ 0 0 14 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.945 110.4 51.0 -59.4 -49.2 45.3 52.8 -19.5 682 212 C D H X S+ 0 0 39 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.880 112.7 46.4 -59.3 -39.1 48.1 54.5 -17.6 683 213 C S H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.915 109.6 53.9 -69.4 -42.7 45.8 55.1 -14.6 684 214 C A H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.845 115.1 41.4 -58.4 -37.1 44.5 51.5 -14.7 685 215 C I H >< S+ 0 0 19 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.947 117.2 46.3 -74.4 -48.7 48.1 50.2 -14.6 686 216 C A H 3< S+ 0 0 27 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.728 96.5 70.1 -70.7 -27.0 49.4 52.7 -12.0 687 217 C Q T >< S+ 0 0 0 -4,-2.4 3,-2.0 -546,-0.1 -1,-0.2 0.730 71.0 113.3 -65.3 -20.2 46.5 52.4 -9.5 688 218 C W T < S+ 0 0 22 -3,-1.0 -237,-0.3 -4,-0.3 3,-0.1 -0.335 89.7 6.0 -57.3 123.6 47.6 48.9 -8.5 689 219 C G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 -239,-0.1 2,-0.2 0.172 103.8 117.9 86.5 -16.2 48.9 48.9 -4.9 690 220 C M S < S- 0 0 58 -3,-2.0 -1,-0.3 -4,-0.2 -475,-0.1 -0.562 74.9-103.4 -80.6 146.3 47.9 52.5 -4.3 691 221 C A > - 0 0 63 -2,-0.2 4,-2.4 -477,-0.2 5,-0.2 -0.385 38.3-112.8 -55.3 145.2 45.3 53.5 -1.7 692 222 C E H > S+ 0 0 27 -479,-0.3 4,-2.6 1,-0.2 5,-0.2 0.887 113.2 53.3 -57.5 -41.4 42.0 54.3 -3.4 693 223 C E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 112.3 43.3 -63.7 -47.2 42.1 58.0 -2.6 694 224 C A H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 113.8 53.3 -60.9 -40.1 45.6 58.6 -4.0 695 225 C A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.911 109.4 47.5 -60.6 -42.6 44.6 56.4 -7.0 696 226 C L H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.861 109.0 54.5 -70.8 -36.3 41.5 58.6 -7.6 697 227 C D H X S+ 0 0 48 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.902 111.0 46.0 -59.8 -42.6 43.6 61.8 -7.3 698 228 C N H >< S+ 0 0 78 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.911 108.7 55.5 -67.8 -41.3 46.0 60.4 -10.0 699 229 C E H >< S+ 0 0 4 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.880 97.2 63.6 -59.5 -38.1 43.0 59.4 -12.2 700 230 C F H >< S+ 0 0 42 -4,-1.9 3,-1.8 1,-0.3 4,-0.4 0.785 85.9 76.1 -57.5 -28.2 41.7 63.0 -12.1 701 231 C G T XX S+ 0 0 34 -3,-1.2 4,-1.8 -4,-0.6 3,-0.5 0.705 74.4 80.8 -55.5 -22.2 44.9 64.0 -13.9 702 232 C S H <> S+ 0 0 4 -3,-2.2 4,-1.7 -4,-0.3 -1,-0.3 0.770 79.8 65.6 -60.6 -25.5 43.4 62.5 -17.1 703 233 C I H <4 S+ 0 0 40 -3,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.937 105.6 41.9 -59.7 -49.5 41.4 65.7 -17.7 704 234 C E H X4 S+ 0 0 80 -3,-0.5 3,-0.9 -4,-0.4 4,-0.4 0.885 110.0 59.6 -67.5 -37.3 44.5 67.7 -18.3 705 235 C R H 3< S+ 0 0 98 -4,-1.8 4,-0.3 1,-0.2 3,-0.3 0.870 112.3 37.3 -58.4 -38.0 46.1 64.9 -20.3 706 236 C V T 3X S+ 0 0 9 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.441 86.6 105.1 -94.2 2.6 43.2 65.0 -22.9 707 237 C A H <> S+ 0 0 48 -3,-0.9 4,-1.8 -4,-0.5 -1,-0.2 0.872 83.3 42.0 -56.0 -45.3 42.7 68.8 -22.9 708 238 C T H > S+ 0 0 103 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.939 117.5 47.7 -64.5 -46.0 44.4 69.5 -26.3 709 239 C E H > S+ 0 0 35 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.892 109.0 53.3 -65.8 -39.4 42.8 66.5 -27.9 710 240 C A H < S+ 0 0 54 -4,-3.3 -1,-0.2 1,-0.2 7,-0.2 0.910 111.3 47.3 -61.9 -41.2 39.3 67.3 -26.6 711 241 C L H >< S+ 0 0 135 -4,-1.8 3,-1.3 -5,-0.3 4,-0.3 0.896 108.6 53.3 -66.2 -42.5 39.6 70.8 -28.1 712 242 C E H 3< S+ 0 0 160 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.873 116.6 40.6 -57.5 -37.9 40.8 69.5 -31.4 713 243 C G T 3X S+ 0 0 31 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.3 0.326 81.9 109.5 -91.7 6.7 37.7 67.3 -31.4 714 244 C A T <4 S+ 0 0 54 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.786 76.3 56.7 -52.3 -32.7 35.4 70.1 -30.0 715 245 C G T 4 S+ 0 0 76 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.981 110.5 41.4 -62.4 -57.8 33.6 70.3 -33.4 716 246 C R T 4 0 0 104 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.954 360.0 360.0 -52.5 -57.2 32.7 66.6 -33.5 717 247 C F < 0 0 102 -4,-2.5 -1,-0.3 -7,-0.2 -2,-0.2 0.865 360.0 360.0 -56.8 360.0 31.8 66.7 -29.8