==== 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 LYASE 09-AUG-10 3OC7 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 2 0 0 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 2 2 1 0 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 M 0 0 139 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.3 -11.2 37.9 7.5 2 2 A D - 0 0 109 5,-0.1 2,-0.3 19,-0.0 4,-0.1 -0.445 360.0-100.2 -82.8 159.5 -12.7 37.7 4.0 3 3 A A S S+ 0 0 70 -2,-0.1 21,-0.1 1,-0.1 19,-0.1 -0.959 89.1 8.8-121.4 147.3 -15.5 35.3 2.8 4 4 A L S S+ 0 0 34 -2,-0.3 19,-2.8 19,-0.2 2,-0.4 -1.000 138.2 6.2 -94.5 -9.3 -15.8 32.8 1.3 5 5 A V E S-A 22 0A 16 17,-0.2 2,-0.4 18,-0.1 17,-0.2 -0.998 70.7-149.6-129.5 127.3 -12.0 32.0 1.3 6 6 A D E -A 21 0A 23 15,-2.2 15,-2.2 -2,-0.4 2,-0.5 -0.816 6.9-152.9 -97.2 140.1 -9.5 34.2 3.3 7 7 A Y E +A 20 0A 78 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.957 13.4 178.6-113.6 126.7 -5.9 34.7 2.2 8 8 A A E -A 19 0A 24 11,-1.8 11,-2.5 -2,-0.5 -2,-0.0 -0.983 11.8-167.5-127.2 118.3 -3.0 35.5 4.6 9 9 A G >> - 0 0 16 -2,-0.4 4,-2.1 9,-0.2 3,-2.0 -0.256 43.3 -72.8 -96.0-176.6 0.6 35.9 3.2 10 10 A P H 3> S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.5 0.777 125.5 59.8 -48.1 -38.8 4.1 36.1 4.7 11 11 A A H 34 S+ 0 0 113 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.714 117.1 33.2 -66.2 -21.1 3.7 39.6 6.1 12 12 A A H <4 S+ 0 0 83 -3,-2.0 -1,-0.2 3,-0.1 6,-0.1 0.701 121.6 46.1-102.8 -31.5 0.7 38.4 8.2 13 13 A T H < S- 0 0 50 -4,-2.1 -2,-0.2 4,-0.3 5,-0.1 0.740 96.5-133.7 -83.4 -25.4 1.8 34.8 9.0 14 14 A G S < S+ 0 0 75 -4,-2.4 -3,-0.1 -5,-0.3 -5,-0.0 0.754 74.5 61.9 75.1 27.2 5.4 35.8 10.0 15 15 A G S S- 0 0 24 -5,-0.5 2,-1.8 2,-0.3 -1,-0.3 -0.952 104.6 -72.6-164.0 178.2 7.0 33.0 7.9 16 16 A P S S+ 0 0 37 0, 0.0 37,-2.8 0, 0.0 38,-1.0 -0.232 96.8 103.7 -78.4 51.7 7.5 31.5 4.3 17 17 A V E - b 0 54A 15 -2,-1.8 2,-0.4 35,-0.2 -2,-0.3 -0.975 57.3-153.7-141.8 138.7 3.9 30.4 4.4 18 18 A A E - b 0 55A 0 36,-1.8 38,-2.2 -2,-0.3 2,-0.5 -0.966 16.1-150.8-110.2 134.4 0.4 31.3 3.0 19 19 A R E -Ab 8 56A 80 -11,-2.5 -11,-1.8 -2,-0.4 2,-0.6 -0.935 7.0-167.6-107.2 121.6 -2.8 30.4 4.9 20 20 A L E -Ab 7 57A 3 36,-2.7 38,-2.3 -2,-0.5 2,-0.6 -0.953 12.3-164.0-105.9 113.8 -6.1 29.7 2.9 21 21 A T E -Ab 6 58A 8 -15,-2.2 -15,-2.2 -2,-0.6 2,-0.4 -0.887 17.6-136.6-108.8 119.3 -9.1 29.6 5.3 22 22 A L E +Ab 5 59A 1 36,-2.5 38,-2.1 -2,-0.6 -17,-0.2 -0.576 31.7 171.2 -66.0 122.3 -12.5 28.1 4.3 23 23 A N + 0 0 29 -19,-2.8 -19,-0.2 -2,-0.4 -1,-0.1 -0.515 28.0 121.3-142.5 63.9 -15.0 30.7 5.7 24 24 A S > > + 0 0 0 36,-0.2 5,-2.3 1,-0.1 3,-1.2 -0.618 24.8 165.6-126.3 66.7 -18.6 29.9 4.5 25 25 A P G > 5 + 0 0 98 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.788 63.9 72.1 -61.7 -29.0 -20.5 29.3 7.8 26 26 A H G 3 5S+ 0 0 147 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.783 114.9 22.9 -57.8 -30.6 -24.1 29.6 6.2 27 27 A N G < 5S- 0 0 35 -3,-1.2 3,-0.3 3,-0.1 -1,-0.3 0.045 115.3-100.4-126.1 28.7 -23.7 26.2 4.5 28 28 A R T < 5S- 0 0 124 -3,-1.3 38,-0.9 1,-0.2 39,-0.1 0.871 80.4 -55.6 56.4 43.0 -21.0 24.5 6.7 29 29 A N S - 0 0 18 -2,-1.9 4,-2.4 36,-0.1 5,-0.2 -0.295 51.1-105.6 -72.1 163.7 -20.3 26.1 -4.0 33 33 A T H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 121.7 48.6 -55.8 -44.9 -19.2 27.6 -7.4 34 34 A A H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 110.5 48.7 -64.6 -45.8 -17.9 30.7 -5.7 35 35 A L H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.924 112.3 50.0 -61.3 -43.4 -16.0 28.9 -3.0 36 36 A V H X S+ 0 0 22 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 110.6 48.6 -60.9 -47.2 -14.3 26.7 -5.6 37 37 A S H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.902 110.4 52.3 -58.3 -43.0 -13.3 29.7 -7.9 38 38 A Q H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.825 107.1 52.3 -66.3 -32.7 -11.8 31.5 -4.8 39 39 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.904 107.9 51.3 -66.8 -44.4 -9.7 28.5 -3.9 40 40 A H H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.944 112.6 46.5 -53.8 -47.6 -8.2 28.3 -7.4 41 41 A Q H X S+ 0 0 100 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.906 110.7 52.8 -66.9 -38.4 -7.3 32.0 -7.2 42 42 A G H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.891 108.5 49.2 -62.2 -43.0 -5.8 31.6 -3.7 43 43 A L H X S+ 0 0 19 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.886 111.7 50.0 -61.9 -38.6 -3.5 28.7 -4.8 44 44 A R H X S+ 0 0 166 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.924 109.0 51.2 -66.3 -44.3 -2.4 30.9 -7.8 45 45 A D H X S+ 0 0 75 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.899 110.9 49.2 -61.3 -42.3 -1.6 33.9 -5.6 46 46 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 6,-0.3 0.932 111.2 47.9 -60.9 -48.5 0.5 31.7 -3.2 47 47 A S H 3< S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 107.0 58.3 -62.1 -32.7 2.5 30.1 -6.1 48 48 A S H 3< S+ 0 0 89 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.648 89.0 83.3 -72.2 -20.3 3.2 33.6 -7.7 49 49 A D X< - 0 0 55 -3,-0.9 3,-1.8 -4,-0.7 -1,-0.0 -0.800 67.0-156.0 -91.6 113.6 4.9 34.9 -4.5 50 50 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.692 90.8 64.1 -63.1 -19.8 8.6 33.9 -4.4 51 51 A A T 3 S+ 0 0 49 -36,-0.0 2,-0.5 2,-0.0 -5,-0.0 0.572 85.2 89.4 -76.8 -13.5 8.6 34.3 -0.5 52 52 A V < + 0 0 0 -3,-1.8 -35,-0.2 -6,-0.3 3,-0.1 -0.785 38.7 161.8 -90.1 126.1 6.1 31.4 -0.1 53 53 A R + 0 0 71 -37,-2.8 2,-0.3 -2,-0.5 -36,-0.2 0.473 67.3 22.6-115.6 -7.5 7.5 27.8 0.3 54 54 A V E -b 17 0A 0 -38,-1.0 -36,-1.8 41,-0.2 2,-0.4 -0.986 62.9-143.2-157.6 148.7 4.4 26.0 1.8 55 55 A V E -bc 18 97A 0 41,-2.4 43,-2.6 -2,-0.3 2,-0.5 -0.953 5.9-154.4-114.9 138.5 0.5 26.4 2.0 56 56 A V E -bc 19 98A 2 -38,-2.2 -36,-2.7 -2,-0.4 2,-0.7 -0.963 6.5-154.4-107.0 126.7 -1.8 25.6 5.0 57 57 A L E +bc 20 99A 5 41,-2.5 43,-2.6 -2,-0.5 -36,-0.2 -0.903 31.0 165.3-100.0 106.7 -5.5 24.8 4.1 58 58 A A E -b 21 0A 6 -38,-2.3 -36,-2.5 -2,-0.7 2,-0.3 -0.447 20.4-146.9-114.7 178.4 -7.5 25.7 7.3 59 59 A H E -b 22 0A 30 41,-0.3 2,-0.2 -38,-0.3 -36,-0.2 -0.991 9.4-136.4-148.1 153.5 -11.3 26.3 8.3 60 60 A T + 0 0 41 -38,-2.1 3,-0.3 -2,-0.3 -36,-0.2 -0.656 69.2 24.8 -94.3 165.5 -13.6 28.3 10.6 61 61 A G S S- 0 0 50 -2,-0.2 41,-0.1 1,-0.2 -2,-0.1 0.022 101.2 -62.2 74.5-178.8 -16.5 26.6 12.4 62 62 A G S S+ 0 0 39 41,-0.1 42,-1.7 1,-0.1 2,-0.4 0.448 114.2 64.6 -85.9 -4.2 -17.3 23.1 13.6 63 63 A T E -g 104 0C 10 -3,-0.3 42,-0.1 40,-0.3 3,-0.1 -0.988 58.5-163.2-122.7 125.8 -17.2 21.5 10.1 64 64 A F E S- 0 0 0 40,-1.6 2,-0.2 -2,-0.4 41,-0.2 0.977 80.1 -34.8 -63.6 -56.3 -14.1 21.3 7.8 65 65 A C E -g 105 0C 1 39,-1.3 41,-2.0 -6,-0.1 -1,-0.2 -0.798 47.9-166.0-170.9 127.1 -16.3 20.6 4.7 66 66 A A - 0 0 26 -38,-0.9 2,-0.3 1,-0.3 42,-0.2 0.314 51.1-107.2-105.9 8.7 -19.5 18.5 4.3 67 67 A G + 0 0 0 -38,-0.3 -36,-2.7 40,-0.2 -1,-0.3 -0.766 68.2 13.4 113.7-150.4 -19.6 18.2 0.5 68 68 A A B f 31 0B 74 -2,-0.3 -36,-0.1 -38,-0.2 -38,-0.1 -0.269 360.0 360.0 -70.0 149.9 -21.5 19.7 -2.4 69 69 A D 0 0 124 -38,-0.5 -1,-0.1 -39,-0.1 -36,-0.1 -0.730 360.0 360.0 -79.5 360.0 -23.9 22.7 -2.2 70 ! 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 71 81 A S > 0 0 99 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -93.8 -31.0 18.9 -17.1 72 82 A A H > + 0 0 44 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.860 360.0 55.0 -64.3 -35.5 -30.3 17.5 -13.6 73 83 A Y H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 105.9 49.8 -61.6 -46.2 -27.8 15.2 -15.4 74 84 A D H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 112.5 46.7 -62.2 -42.9 -25.9 18.1 -17.0 75 85 A M H X S+ 0 0 131 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.890 113.5 49.5 -66.0 -40.3 -25.6 20.0 -13.7 76 86 A A H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.899 109.5 49.5 -67.1 -43.5 -24.4 16.8 -11.9 77 87 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.892 112.9 47.8 -64.3 -39.5 -21.7 15.8 -14.5 78 88 A E H X S+ 0 0 84 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.868 107.7 55.3 -68.2 -38.2 -20.3 19.4 -14.4 79 89 A R H X S+ 0 0 88 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.909 110.0 47.2 -58.7 -43.2 -20.2 19.4 -10.6 80 90 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 111.5 49.0 -65.3 -45.7 -18.1 16.1 -10.7 81 91 A R H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.880 109.7 53.5 -60.2 -40.3 -15.7 17.5 -13.3 82 92 A E H X S+ 0 0 89 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.867 107.3 50.9 -63.5 -37.9 -15.3 20.7 -11.2 83 93 A M H X S+ 0 0 21 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.932 110.2 49.6 -63.2 -46.5 -14.4 18.6 -8.1 84 94 A A H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.904 109.4 51.9 -58.3 -42.4 -11.7 16.7 -10.1 85 95 A A H X S+ 0 0 51 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.853 109.1 49.7 -66.2 -34.6 -10.2 19.9 -11.4 86 96 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.926 112.2 47.0 -67.9 -47.8 -9.9 21.4 -7.9 87 97 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 111.3 52.5 -57.3 -44.1 -8.2 18.3 -6.6 88 98 A R H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.858 104.1 56.1 -62.4 -37.2 -5.9 18.2 -9.6 89 99 A A H X S+ 0 0 28 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.900 109.4 46.7 -61.0 -41.7 -4.8 21.9 -9.0 90 100 A I H >< S+ 0 0 3 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.948 114.2 47.4 -64.7 -48.4 -3.7 21.0 -5.4 91 101 A V H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.855 112.7 48.9 -63.0 -35.8 -1.8 17.9 -6.7 92 102 A E H 3< S+ 0 0 115 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.595 85.3 117.4 -79.3 -16.7 -0.0 19.8 -9.5 93 103 A S << - 0 0 22 -4,-0.8 4,-0.1 -3,-0.7 -49,-0.0 -0.213 67.2-135.9 -60.3 143.4 1.2 22.8 -7.4 94 104 A R S S+ 0 0 72 2,-0.1 111,-0.2 111,-0.1 -1,-0.1 0.687 88.0 81.4 -60.4 -21.8 5.0 23.5 -6.9 95 105 A L S S- 0 0 1 -5,-0.1 -41,-0.2 110,-0.1 2,-0.2 -0.747 86.2-120.3 -95.1 131.6 4.1 24.1 -3.2 96 106 A P - 0 0 14 0, 0.0 -41,-2.4 0, 0.0 2,-0.5 -0.495 31.6-149.7 -57.0 135.3 3.5 21.4 -0.5 97 107 A V E -c 55 0A 2 -43,-0.2 21,-1.6 -2,-0.2 20,-1.3 -0.975 10.6-166.1-118.8 123.9 -0.1 21.8 0.8 98 108 A I E -cd 56 118A 0 -43,-2.6 -41,-2.5 -2,-0.5 2,-0.3 -0.937 11.3-143.1-113.9 119.1 -0.9 20.9 4.5 99 109 A A E -cd 57 119A 0 19,-2.4 21,-2.4 -2,-0.5 2,-0.6 -0.639 6.2-160.5 -81.9 136.2 -4.6 20.4 5.7 100 110 A A E - d 0 120A 7 -43,-2.6 2,-0.4 -2,-0.3 -41,-0.3 -0.910 19.7-179.0-116.6 98.6 -5.4 21.6 9.3 101 111 A I E + d 0 121A 0 19,-2.7 21,-2.3 -2,-0.6 24,-0.2 -0.860 25.0 152.8-107.4 127.2 -8.6 19.8 10.4 102 112 A D + 0 0 37 -2,-0.4 2,-0.3 19,-0.2 19,-0.1 -0.381 64.5 37.0-143.9 66.9 -10.6 20.2 13.7 103 113 A G S S- 0 0 1 19,-0.2 23,-1.0 23,-0.1 -40,-0.3 -0.970 95.7 -31.5 174.4-173.3 -14.2 19.3 12.8 104 114 A H E -gh 63 126C 71 -42,-1.7 -40,-1.6 -2,-0.3 -39,-1.3 -0.385 42.4-164.4 -75.4 140.7 -16.5 17.1 10.7 105 115 A V E +gh 65 127C 0 21,-2.1 23,-1.0 -41,-0.2 2,-0.3 -0.995 18.8 159.6-124.6 122.3 -15.6 15.7 7.2 106 116 A R E > - h 0 128C 54 -41,-2.0 3,-2.1 -2,-0.4 23,-0.1 -0.977 48.9 -27.6-139.5 155.3 -18.2 14.3 4.8 107 117 A A T > S+ 0 0 34 21,-0.6 3,-2.1 -2,-0.3 4,-0.4 -0.087 129.6 11.8 49.0-127.7 -18.7 13.5 1.0 108 118 A G T >> S+ 0 0 14 1,-0.3 4,-1.0 2,-0.2 3,-0.9 0.705 116.8 75.6 -53.1 -27.1 -16.7 15.8 -1.3 109 119 A G H <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.2 3,-0.3 0.843 86.3 62.2 -52.2 -34.9 -14.7 17.0 1.8 110 120 A F H <> S+ 0 0 1 -3,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.833 96.8 59.1 -59.6 -35.8 -12.8 13.7 1.7 111 121 A G H <> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.4 -1,-0.2 0.872 104.5 48.8 -65.8 -38.1 -11.4 14.6 -1.7 112 122 A L H X S+ 0 0 0 -4,-1.0 4,-1.4 -3,-0.3 -2,-0.2 0.930 112.1 48.7 -62.1 -48.2 -9.8 17.8 -0.4 113 123 A V H < S+ 0 0 4 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.917 112.7 48.9 -57.9 -47.8 -8.2 15.9 2.5 114 124 A G H < S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 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-3,-1.5 106,-0.3 -4,-0.6 105,-0.3 0.177 126.8 -96.8-111.5 14.6 -28.5 7.2 0.2 135 145 A G T < 5S+ 0 0 15 -3,-1.4 101,-0.3 1,-0.3 -3,-0.2 0.535 91.1 87.5 88.7 9.8 -28.2 5.1 -3.0 136 146 A V < - 0 0 39 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.396 62.5-123.3-123.3-162.2 -24.9 6.4 -4.5 137 147 A A - 0 0 41 -2,-0.1 2,-1.9 -6,-0.1 3,-0.2 -0.970 29.3-104.8-146.2 155.3 -21.1 5.8 -4.3 138 148 A P > + 0 0 14 0, 0.0 4,-0.7 0, 0.0 89,-0.0 -0.367 63.6 146.9 -78.8 62.8 -17.8 7.7 -3.5 139 149 A A T >4 + 0 0 9 -2,-1.9 3,-1.0 2,-0.2 4,-0.3 0.981 63.0 34.6 -67.7 -67.5 -16.8 7.9 -7.2 140 150 A I T >4 S+ 0 0 12 -3,-0.2 3,-1.6 1,-0.2 4,-0.2 0.867 114.3 57.8 -58.7 -40.3 -14.9 11.1 -7.9 141 151 A I T >> S+ 0 0 10 1,-0.3 4,-2.0 2,-0.2 3,-1.3 0.696 86.9 79.0 -69.3 -16.9 -13.2 11.2 -4.4 142 152 A S H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.1 3,-1.0 0.905 101.1 54.6 -74.9 -44.6 -8.5 8.1 -1.6 146 156 A L T 3< S+ 0 0 70 -4,-1.7 -1,-0.1 1,-0.2 -3,-0.1 0.843 105.6 51.5 -66.9 -32.3 -7.6 4.9 -3.3 147 157 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.707 121.5 33.4 -69.7 -17.8 -3.8 5.7 -3.8 148 158 A K T <4 S+ 0 0 82 -3,-1.0 2,-0.2 -4,-0.4 -2,-0.2 0.710 99.6 78.0-114.1 -28.3 -3.5 6.6 0.0 149 159 A L S < S- 0 0 21 -4,-2.5 24,-0.2 1,-0.1 23,-0.1 -0.589 87.0-102.2 -81.3 146.8 -5.8 4.3 2.1 150 160 A S > - 0 0 60 22,-2.1 4,-2.3 -2,-0.2 5,-0.2 -0.364 33.1-117.4 -58.6 148.5 -4.9 0.7 2.9 151 161 A A H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.916 113.5 48.7 -55.3 -49.2 -6.9 -1.8 0.7 152 162 A R H > S+ 0 0 221 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 112.0 49.8 -61.4 -38.3 -8.7 -3.4 3.6 153 163 A A H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.893 108.1 51.3 -69.1 -42.7 -9.8 0.0 5.1 154 164 A A H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.958 113.3 46.0 -58.0 -48.7 -11.2 1.4 1.8 155 165 A A H X S+ 0 0 53 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.911 115.1 47.0 -62.5 -43.9 -13.3 -1.8 1.3 156 166 A R H >X S+ 0 0 116 -4,-2.2 4,-2.5 -5,-0.2 3,-0.7 0.985 117.2 39.1 -59.6 -59.4 -14.6 -1.7 4.9 157 167 A Y H 3X S+ 0 0 10 -4,-2.4 4,-1.3 1,-0.3 -28,-0.3 0.811 112.2 56.0 -72.7 -31.1 -15.5 2.0 5.2 158 168 A Y H 3< S+ 0 0 39 -4,-2.3 -26,-0.4 -5,-0.3 -1,-0.3 0.816 119.0 34.5 -59.7 -34.6 -17.0 2.3 1.6 159 169 A L H << S+ 0 0 143 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.1 0.779 121.5 41.4 -99.5 -30.1 -19.4 -0.6 2.4 160 170 A T H < S- 0 0 59 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.722 82.6-145.4 -88.6 -27.2 -20.3 -0.2 6.2 161 171 A G < + 0 0 5 -4,-1.3 -4,-0.1 -5,-0.3 -3,-0.1 0.633 37.9 167.5 67.0 14.8 -20.7 3.6 6.4 162 172 A E - 0 0 67 -6,-0.2 -33,-0.5 -34,-0.1 2,-0.3 -0.286 34.9-123.8 -63.4 142.5 -19.3 3.6 10.0 163 173 A K + 0 0 151 -35,-0.2 2,-0.3 -37,-0.0 -35,-0.2 -0.677 35.7 179.2 -81.9 140.7 -18.2 6.8 11.7 164 174 A F B -I 127 0C 19 -37,-2.5 -37,-2.0 -2,-0.3 2,-0.1 -0.916 18.1-122.9-142.4 166.9 -14.6 7.1 12.9 165 175 A D > - 0 0 93 -2,-0.3 4,-2.3 -39,-0.2 -39,-0.1 -0.311 38.0 -88.4-104.3-177.0 -12.1 9.4 14.7 166 176 A A H > S+ 0 0 11 -41,-0.4 4,-2.0 2,-0.2 5,-0.2 0.861 121.9 54.8 -60.7 -42.7 -8.6 11.1 14.1 167 177 A R H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.3 44.9 -58.0 -46.6 -6.7 8.1 15.6 168 178 A R H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.923 109.2 56.9 -64.8 -40.3 -8.4 5.6 13.2 169 179 A A H X>S+ 0 0 0 -4,-2.3 6,-1.4 1,-0.2 5,-1.4 0.875 108.1 47.6 -59.0 -37.9 -7.9 8.1 10.3 170 180 A E H ><5S+ 0 0 96 -4,-2.0 3,-0.8 4,-0.2 -1,-0.2 0.939 108.9 54.3 -66.0 -47.8 -4.1 8.0 11.0 171 181 A E H 3<5S+ 0 0 139 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.851 113.4 41.4 -52.7 -40.3 -4.0 4.2 11.2 172 182 A I H 3<5S- 0 0 19 -4,-1.9 -22,-2.1 -23,-0.1 -1,-0.2 0.504 115.2-106.0 -93.1 -9.5 -5.6 3.7 7.7 173 183 A G T <<5S+ 0 0 29 -4,-0.8 -3,-0.2 -3,-0.8 -4,-0.1 0.448 86.3 118.0 99.3 2.2 -3.8 6.4 5.7 174 184 A L S S+ 0 0 100 1,-0.2 4,-1.7 -59,-0.1 -1,-0.3 -0.856 71.7 179.9-108.8 91.1 -2.8 20.4 20.0 182 192 A L H > S+ 0 0 23 -2,-0.7 4,-2.5 -3,-0.3 5,-0.2 0.900 78.1 52.8 -57.2 -46.6 -3.4 21.2 16.3 183 193 A D H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 108.9 49.2 -60.9 -43.2 -1.7 24.6 16.3 184 194 A A H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 112.1 48.6 -63.3 -40.1 1.5 23.3 17.8 185 195 A A H X S+ 0 0 17 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.921 112.3 47.6 -68.1 -45.2 1.7 20.4 15.3 186 196 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.918 109.5 54.2 -59.7 -45.3 1.1 22.7 12.2 187 197 A D H X S+ 0 0 103 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.914 110.3 46.5 -58.6 -42.3 3.7 25.2 13.5 188 198 A Q H X S+ 0 0 107 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.912 112.5 48.8 -67.1 -43.2 6.4 22.5 13.7 189 199 A L H X S+ 0 0 41 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.895 111.0 50.3 -62.5 -42.8 5.6 21.0 10.3 190 200 A V H X S+ 0 0 19 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.904 109.3 52.1 -61.8 -42.6 5.7 24.5 8.6 191 201 A T H X S+ 0 0 74 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.936 113.6 43.5 -56.9 -48.9 9.1 25.2 10.3 192 202 A D H >< S+ 0 0 81 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.921 114.5 47.1 -69.2 -45.3 10.6 21.9 8.9 193 203 A V H >< S+ 0 0 25 -4,-2.6 3,-2.1 1,-0.2 -1,-0.2 0.916 105.6 61.9 -60.2 -42.0 9.2 22.1 5.4 194 204 A G H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.654 88.2 70.9 -61.6 -17.7 10.3 25.8 5.1 195 205 A R T << S+ 0 0 197 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.671 84.7 90.7 -67.5 -22.9 14.0 24.7 5.5 196 206 A G S < S- 0 0 25 -3,-2.1 -3,-0.0 -4,-0.3 3,-0.0 -0.429 83.3-111.9 -75.9 151.8 13.8 23.2 2.0 197 207 A S > - 0 0 62 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.439 26.6-112.9 -77.8 156.2 14.7 25.1 -1.2 198 208 A P H > S+ 0 0 70 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.920 118.6 42.6 -57.2 -41.8 12.0 26.1 -3.7 199 209 A Q H > S+ 0 0 164 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 114.1 50.8 -68.4 -43.3 13.5 23.7 -6.4 200 210 A G H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 111.9 46.7 -63.0 -44.3 14.1 20.8 -3.9 201 211 A L H X S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.906 112.6 49.6 -63.7 -44.7 10.6 20.9 -2.5 202 212 A A H X S+ 0 0 32 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.920 115.3 42.8 -61.1 -45.1 9.0 21.0 -6.0 203 213 A A H X S+ 0 0 60 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.869 113.6 51.3 -70.7 -37.1 11.0 18.0 -7.3 204 214 A S H X S+ 0 0 74 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.915 112.0 47.6 -66.4 -43.8 10.6 16.0 -4.1 205 215 A K H >X S+ 0 0 14 -4,-2.4 4,-1.1 1,-0.2 3,-0.8 0.934 106.7 57.0 -58.0 -49.1 6.8 16.5 -4.3 206 216 A A H 3X S+ 0 0 53 -4,-2.1 4,-1.3 1,-0.3 3,-0.3 0.839 99.2 59.6 -57.8 -33.7 6.6 15.5 -8.0 207 217 A L H 3< S+ 0 0 145 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.913 110.0 43.4 -58.2 -39.2 8.2 12.1 -7.3 208 218 A T H << S+ 0 0 105 -4,-0.9 4,-0.2 -3,-0.8 -1,-0.2 0.638 115.1 48.2 -82.4 -17.0 5.3 11.3 -4.9 209 219 A T H X S+ 0 0 14 -4,-1.1 4,-2.4 -3,-0.3 5,-0.2 0.560 82.3 90.7-102.0 -10.7 2.5 12.7 -7.2 210 220 A A H X S+ 0 0 49 -4,-1.3 4,-1.6 1,-0.2 -2,-0.1 0.896 90.5 45.6 -54.6 -47.3 3.4 11.0 -10.6 211 221 A A H > S+ 0 0 71 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.857 111.5 53.4 -66.5 -36.5 1.2 7.9 -10.0 212 222 A V H > S+ 0 0 13 -4,-0.2 4,-1.7 2,-0.2 3,-0.3 0.933 107.7 49.7 -62.7 -46.4 -1.8 10.0 -8.7 213 223 A L H X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.852 106.2 57.0 -64.9 -32.4 -1.8 12.2 -11.9 214 224 A E H X S+ 0 0 105 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.866 104.7 52.4 -62.9 -37.8 -1.7 9.0 -14.1 215 225 A R H X S+ 0 0 68 -4,-1.3 4,-2.6 -3,-0.3 5,-0.3 0.897 107.4 51.2 -66.1 -42.8 -4.9 7.8 -12.4 216 226 A F H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 5,-0.3 0.931 108.9 52.2 -56.1 -48.5 -6.6 11.2 -13.1 217 227 A D H < S+ 0 0 114 -4,-2.2 -2,-0.2 1,-0.2 4,-0.2 0.911 118.2 36.5 -55.4 -45.6 -5.6 10.8 -16.8 218 228 A R H < S+ 0 0 152 -4,-1.9 4,-0.2 -5,-0.1 -2,-0.2 0.858 131.7 19.8 -72.5 -39.4 -7.1 7.3 -17.1 219 229 A D H X S+ 0 0 33 -4,-2.6 4,-2.5 -5,-0.1 5,-0.2 0.556 89.0 91.9-120.2 -17.8 -10.3 7.6 -14.8 220 230 A A H X S+ 0 0 21 -4,-1.9 4,-1.9 -5,-0.3 5,-0.1 0.885 93.8 43.3 -57.8 -45.8 -11.6 11.2 -14.2 221 231 A E H > S+ 0 0 85 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.934 114.6 49.2 -67.1 -46.3 -14.0 11.4 -17.1 222 232 A R H > S+ 0 0 132 1,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.894 112.8 49.1 -56.9 -43.5 -15.5 7.9 -16.6 223 233 A L H X S+ 0 0 16 -4,-2.5 4,-2.2 2,-0.2 -83,-0.2 0.847 107.9 53.5 -67.4 -35.5 -16.0 8.6 -12.9 224 234 A A H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.912 109.7 48.2 -64.0 -42.6 -17.7 11.9 -13.6 225 235 A E H X S+ 0 0 74 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.902 111.5 50.5 -64.0 -41.9 -20.2 10.2 -15.9 226 236 A E H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.922 107.4 54.0 -59.9 -46.5 -20.9 7.5 -13.2 227 237 A S H X S+ 0 0 43 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.907 110.5 46.7 -53.4 -47.5 -21.5 10.1 -10.5 228 238 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.885 109.3 52.7 -67.6 -41.6 -24.1 11.8 -12.7 229 239 A R H < S+ 0 0 137 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.902 112.1 46.7 -57.7 -44.2 -25.9 8.5 -13.6 230 240 A L H >< S+ 0 0 48 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.922 106.9 58.1 -66.3 -41.5 -26.2 7.6 -9.9 231 241 A F H 3< S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 110.6 41.2 -56.0 -40.5 -27.4 11.1 -8.9 232 242 A V T 3< S+ 0 0 42 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.374 94.1 114.6 -92.3 3.7 -30.5 11.0 -11.2 233 243 A S S <> S- 0 0 35 -3,-1.3 4,-1.6 -4,-0.3 -3,-0.1 -0.235 76.2-114.1 -74.3 163.2 -31.4 7.4 -10.5 234 244 A D H 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