==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-APR-09 3H0U . COMPND 2 MOLECULE: PUTATIVE ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,S.MILLER,R.ROMERO, . 826 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 3.8 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 . 5 0.6 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 . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 6 2 1 3 3 9 3 0 2 3 3 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 2 1 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 S 0 0 127 0, 0.0 12,-0.6 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 10.3 -5.3 53.1 37.2 2 7 A L + 0 0 176 10,-0.1 2,-0.3 0, 0.0 10,-0.1 -0.271 360.0 144.9 -53.3 125.5 -3.6 55.7 39.5 3 8 A T - 0 0 38 8,-0.1 2,-0.2 47,-0.0 10,-0.1 -0.954 48.9-103.5-159.6 149.4 -0.1 56.5 38.1 4 9 A A - 0 0 37 -2,-0.3 2,-0.3 37,-0.1 40,-0.0 -0.503 30.3-166.0 -74.9 144.1 2.0 59.6 38.0 5 10 A S - 0 0 58 -2,-0.2 2,-0.3 5,-0.1 5,-0.2 -0.874 11.2-150.8-123.8 161.7 2.3 61.6 34.8 6 11 A Y - 0 0 49 3,-2.9 3,-0.2 -2,-0.3 5,-0.1 -0.814 30.6 -99.7-134.7 166.9 5.0 64.3 34.1 7 12 A E S S+ 0 0 144 -2,-0.3 27,-0.1 1,-0.2 3,-0.1 0.878 124.4 20.6 -53.5 -41.5 5.7 67.5 32.3 8 13 A T S S+ 0 0 9 25,-0.2 15,-2.7 1,-0.2 2,-0.4 0.379 120.5 61.7-113.8 1.0 7.7 65.6 29.6 9 14 A I E -A 22 0A 0 13,-0.2 -3,-2.9 -3,-0.2 2,-0.9 -0.960 64.8-154.8-134.8 113.5 6.3 62.0 30.0 10 15 A K E -A 21 0A 138 11,-2.9 11,-2.4 -2,-0.4 2,-0.4 -0.811 25.7-178.5 -89.7 107.4 2.7 61.3 29.4 11 16 A A E +A 20 0A 8 -2,-0.9 2,-0.3 9,-0.2 9,-0.2 -0.892 11.4 169.1-115.7 136.1 2.1 58.2 31.4 12 17 A R E -A 19 0A 95 7,-2.1 7,-2.9 -2,-0.4 2,-0.5 -0.990 23.7-139.0-148.9 142.7 -1.1 56.2 31.8 13 18 A L E -A 18 0A 26 -12,-0.6 2,-0.6 -2,-0.3 5,-0.2 -0.880 14.0-177.1-109.5 120.8 -1.9 52.8 33.3 14 19 A D E > S-A 17 0A 107 3,-2.7 3,-1.9 -2,-0.5 2,-0.6 -0.936 71.7 -52.5-118.2 100.5 -4.2 50.4 31.6 15 20 A G T 3 S- 0 0 73 -2,-0.6 -2,-0.0 1,-0.3 3,-0.0 -0.567 120.5 -23.8 65.9-114.5 -4.5 47.4 34.0 16 21 A T T 3 S+ 0 0 18 -2,-0.6 37,-1.7 35,-0.1 36,-0.8 0.206 120.9 94.3-110.2 10.5 -0.9 46.3 34.6 17 22 A V E < -Ab 14 53A 23 -3,-1.9 -3,-2.7 35,-0.2 2,-0.5 -0.923 58.9-161.0-109.1 116.1 0.5 47.9 31.4 18 23 A L E -Ab 13 54A 0 35,-3.0 37,-3.1 -2,-0.6 2,-0.5 -0.807 2.1-158.0 -92.8 130.8 1.9 51.4 31.7 19 24 A S E -Ab 12 55A 21 -7,-2.9 -7,-2.1 -2,-0.5 2,-0.5 -0.959 10.9-173.7-107.5 123.9 2.3 53.4 28.5 20 25 A A E -Ab 11 56A 0 35,-2.9 37,-2.0 -2,-0.5 2,-0.5 -0.975 2.5-168.4-123.5 116.9 4.8 56.3 28.8 21 26 A T E -Ab 10 57A 13 -11,-2.4 -11,-2.9 -2,-0.5 2,-0.4 -0.921 17.0-137.2-111.9 120.2 5.2 58.7 25.9 22 27 A F E +Ab 9 58A 1 35,-2.7 37,-2.8 -2,-0.5 38,-0.5 -0.657 30.3 166.8 -76.1 126.0 8.1 61.2 25.8 23 28 A N + 0 0 76 -15,-2.7 -2,-0.1 -2,-0.4 35,-0.0 -0.808 11.2 146.3-145.8 93.4 6.9 64.6 24.7 24 29 A A >> - 0 0 14 -2,-0.3 4,-2.1 -15,-0.0 3,-0.6 -0.703 44.4-124.5-133.3 76.4 9.4 67.4 25.3 25 30 A P T 34 S+ 0 0 100 0, 0.0 -2,-0.1 0, 0.0 35,-0.0 -0.218 82.5 43.5 -60.0 157.0 9.1 70.0 22.5 26 31 A P T 34 S- 0 0 113 0, 0.0 235,-0.0 0, 0.0 236,-0.0 -0.938 137.6 -28.4 -77.7 -24.7 10.6 71.4 20.4 27 32 A M T <4 S- 0 0 5 -3,-0.6 233,-0.1 33,-0.1 234,-0.0 0.183 83.3 -97.4-147.3 26.8 12.3 68.1 19.4 28 33 A N < + 0 0 0 -4,-2.1 39,-0.3 1,-0.2 32,-0.0 0.770 56.1 173.1 62.5 29.9 12.6 65.7 22.3 29 34 A L - 0 0 26 -5,-0.5 2,-1.2 36,-0.2 39,-0.2 -0.400 43.5-110.4 -57.8 143.9 16.2 66.6 23.2 30 35 A I B +f 68 0B 4 37,-2.2 39,-2.7 4,-0.1 -1,-0.1 -0.720 61.6 153.9 -79.9 98.4 17.2 64.8 26.5 31 36 A G > - 0 0 4 -2,-1.2 4,-2.4 37,-0.2 5,-0.2 -0.467 60.9 -76.6-112.7-169.4 17.4 67.9 28.7 32 37 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 127.3 52.2 -63.4 -34.7 17.1 68.4 32.5 33 38 A E H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -25,-0.2 0.931 110.7 46.8 -67.6 -47.4 13.3 68.2 32.4 34 39 A V H > S+ 0 0 4 -5,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 115.2 47.0 -57.4 -46.2 13.3 64.9 30.6 35 40 A V H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.942 111.4 50.7 -64.0 -47.3 15.9 63.5 33.0 36 41 A R H X S+ 0 0 84 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.915 113.1 46.2 -52.9 -48.2 14.1 64.8 36.1 37 42 A D H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.888 111.7 50.4 -68.3 -37.1 10.9 63.1 34.9 38 43 A L H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 108.9 52.6 -66.2 -41.8 12.6 59.9 34.0 39 44 A V H X S+ 0 0 17 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.941 111.9 46.4 -54.4 -49.6 14.3 59.8 37.5 40 45 A A H X S+ 0 0 37 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 111.6 50.7 -61.0 -44.0 10.8 60.3 39.1 41 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.908 109.2 50.6 -61.7 -42.0 9.3 57.6 36.9 42 47 A L H < S+ 0 0 0 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.885 108.7 52.2 -67.3 -36.8 12.0 55.0 37.7 43 48 A E H >< S+ 0 0 125 -4,-2.0 3,-1.0 -5,-0.2 4,-0.2 0.921 110.2 49.0 -61.6 -44.3 11.5 55.7 41.4 44 49 A E H >< S+ 0 0 53 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.880 105.7 57.7 -60.2 -38.3 7.8 55.1 41.1 45 50 A L T 3< S+ 0 0 2 -4,-2.0 58,-0.4 1,-0.3 -1,-0.2 0.521 89.0 73.9 -78.4 -4.0 8.4 51.8 39.1 46 51 A A T < S+ 0 0 55 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.595 73.7 107.8 -77.1 -12.9 10.4 50.3 42.0 47 52 A H S X S- 0 0 51 -3,-1.4 3,-2.2 -4,-0.2 -3,-0.0 -0.434 75.7-129.7 -71.6 138.5 7.1 49.8 44.0 48 53 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.736 109.1 47.8 -61.9 -24.4 5.9 46.2 44.4 49 54 A T T 3 S+ 0 0 90 2,-0.0 3,-0.1 3,-0.0 -2,-0.1 0.271 89.2 117.9 -95.8 8.2 2.4 47.1 43.2 50 55 A A S < S- 0 0 11 -3,-2.2 -5,-0.1 1,-0.2 -47,-0.0 -0.236 79.9 -68.0 -69.8 165.5 3.7 49.0 40.2 51 56 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 -34,-0.2 -0.219 33.5-138.6 -58.0 143.5 2.9 48.0 36.6 52 57 A R S S+ 0 0 34 -36,-0.8 52,-2.8 51,-0.1 2,-0.3 0.731 86.9 29.1 -63.9 -32.6 4.4 44.7 35.3 53 58 A V E -bc 17 104A 0 -37,-1.7 -35,-3.0 50,-0.3 2,-0.4 -0.989 61.8-162.6-141.2 140.4 5.1 46.2 31.9 54 59 A V E -bc 18 105A 0 50,-2.9 52,-2.9 -2,-0.3 2,-0.6 -0.998 6.9-158.3-125.5 127.6 6.0 49.7 30.5 55 60 A I E -bc 19 106A 13 -37,-3.1 -35,-2.9 -2,-0.4 2,-0.4 -0.936 13.2-159.5-102.0 119.5 5.7 50.6 26.8 56 61 A F E +bc 20 107A 0 50,-3.2 52,-2.7 -2,-0.6 2,-0.3 -0.861 22.9 149.9 -99.2 133.1 7.9 53.6 25.9 57 62 A D E -b 21 0A 31 -37,-2.0 -35,-2.7 -2,-0.4 2,-0.4 -0.835 35.9-112.1-144.6-175.9 7.2 55.6 22.8 58 63 A S E -b 22 0A 26 50,-0.3 -35,-0.2 -37,-0.3 7,-0.1 -0.963 3.4-155.8-127.3 141.0 7.6 59.2 21.5 59 64 A A + 0 0 54 -37,-2.8 2,-0.2 -2,-0.4 -36,-0.1 0.555 67.1 107.4 -82.5 -13.2 5.1 61.9 20.6 60 65 A D S S- 0 0 25 -38,-0.5 -2,-0.1 3,-0.4 -33,-0.1 -0.491 70.1-137.1 -77.5 137.6 7.6 63.6 18.3 61 66 A A S S+ 0 0 91 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.798 97.4 15.4 -59.7 -32.9 7.0 63.3 14.6 62 67 A D S S+ 0 0 47 1,-0.1 50,-2.6 49,-0.1 2,-0.3 0.551 119.6 51.0-122.7 -16.8 10.6 62.5 13.6 63 68 A F E -g 112 0C 1 48,-0.3 -3,-0.4 1,-0.2 50,-0.2 -0.946 38.5-168.7-130.4 147.9 12.5 61.6 16.8 64 69 A F E S- 0 0 0 48,-3.3 49,-0.2 -2,-0.3 -1,-0.2 0.832 99.3 -29.1 -83.4 -71.5 12.4 59.4 19.7 65 70 A F E -g 113 0C 3 47,-0.6 49,-1.8 1,-0.1 -1,-0.3 -0.945 57.9-153.7-134.3 130.2 15.3 61.4 21.3 66 71 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -37,-0.1 0.857 64.3 -74.1 -63.4 -34.4 17.8 63.1 18.9 67 72 A H S S- 0 0 9 -39,-0.3 -37,-2.2 48,-0.1 48,-0.1 -0.884 71.0 -44.8 157.4-177.7 20.5 63.0 21.6 68 73 A V B -f 30 0B 11 -2,-0.2 2,-0.9 -39,-0.2 -37,-0.2 -0.454 62.8 -99.5 -73.6 153.5 21.2 65.0 24.8 69 74 A D > - 0 0 17 -39,-2.7 3,-1.9 1,-0.2 7,-0.2 -0.659 33.8-158.8 -71.7 107.9 20.8 68.8 24.9 70 75 A M T 3 S+ 0 0 39 -2,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.546 87.3 59.7 -72.5 -7.0 24.5 69.7 24.5 71 76 A T T 3 S+ 0 0 83 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.467 108.5 43.3 -94.3 -4.8 23.8 73.2 26.0 72 77 A K <> + 0 0 70 -3,-1.9 4,-2.7 1,-0.1 5,-0.3 -0.015 68.5 129.4-130.9 31.5 22.5 71.7 29.3 73 78 A V H > S+ 0 0 19 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.897 77.3 44.9 -61.1 -47.2 25.0 68.9 30.2 74 79 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.935 114.8 50.5 -61.6 -41.3 25.7 70.0 33.8 75 80 A E H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.905 113.7 41.6 -65.3 -46.6 22.0 70.6 34.5 76 81 A Y H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.843 112.5 55.7 -71.1 -30.1 20.7 67.2 33.2 77 82 A T H X S+ 0 0 38 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.917 105.9 52.0 -65.7 -39.9 23.6 65.4 34.9 78 83 A A H X S+ 0 0 59 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.867 109.7 49.0 -62.6 -37.4 22.6 66.9 38.2 79 84 A E H >< S+ 0 0 45 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.918 109.4 52.2 -65.9 -40.3 19.1 65.7 37.7 80 85 A A H >< S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.3 4,-0.2 0.834 99.0 65.0 -65.5 -34.1 20.4 62.2 36.8 81 86 A A H >< S+ 0 0 31 -4,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.772 86.1 71.8 -58.8 -30.5 22.4 62.0 40.0 82 87 A K T << S+ 0 0 158 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.615 89.6 62.1 -65.7 -12.2 19.2 62.1 42.1 83 88 A A T < S+ 0 0 15 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.634 111.2 24.0 -84.1 -16.2 18.4 58.5 41.0 84 89 A G S < S- 0 0 43 -3,-1.6 3,-0.1 -4,-0.2 10,-0.0 -0.450 79.6 -89.9-133.8-162.0 21.6 57.0 42.6 85 90 A G S > S- 0 0 36 1,-0.2 3,-2.0 -2,-0.1 -1,-0.2 -0.198 71.1 -35.5-104.8-164.2 24.3 57.2 45.2 86 91 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.354 131.4 20.0 -58.8 133.6 27.8 58.7 45.3 87 92 A G T 3 S+ 0 0 56 -3,-0.1 6,-0.1 1,-0.0 -6,-0.0 0.461 96.5 101.9 84.9 3.1 29.4 58.3 41.9 88 93 A D < + 0 0 21 -3,-2.0 2,-2.3 -7,-0.1 -5,-0.2 0.166 35.4 125.0-104.2 19.0 26.1 57.8 40.0 89 94 A A + 0 0 55 4,-0.1 2,-0.3 -7,-0.1 -8,-0.1 -0.496 53.9 91.7 -77.6 74.6 25.9 61.3 38.6 90 95 A S S > S- 0 0 14 -2,-2.3 4,-1.8 -10,-0.1 3,-0.2 -0.966 81.0-123.6-162.8 147.3 25.6 60.2 35.0 91 96 A L H > S+ 0 0 12 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.857 112.3 63.8 -58.8 -35.7 23.0 59.2 32.4 92 97 A G H > S+ 0 0 4 56,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.924 105.1 42.1 -54.6 -47.5 24.8 55.9 32.2 93 98 A M H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.841 112.6 54.4 -71.3 -32.5 24.0 55.0 35.8 94 99 A L H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.931 109.4 48.1 -62.2 -44.8 20.4 56.3 35.4 95 100 A F H X S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.803 106.2 57.5 -69.1 -27.0 20.0 54.0 32.4 96 101 A R H X S+ 0 0 30 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.919 104.9 51.3 -65.0 -41.3 21.4 51.1 34.4 97 102 A K H < S+ 0 0 58 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.906 108.4 52.5 -60.7 -41.8 18.6 51.7 36.9 98 103 A L H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.945 108.2 50.2 -56.0 -49.5 16.2 51.6 34.0 99 104 A S H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 111.9 48.2 -58.3 -35.2 17.7 48.2 32.9 100 105 A Q T 3< S+ 0 0 104 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.344 81.2 128.4 -91.5 4.2 17.3 46.8 36.4 101 106 A L < - 0 0 7 -3,-1.4 4,-0.1 -4,-0.3 -55,-0.1 -0.226 65.0-129.5 -56.7 146.7 13.7 47.9 37.0 102 107 A P S S+ 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.838 90.0 83.7 -66.1 -29.8 11.3 45.1 38.2 103 108 A A S S- 0 0 4 -58,-0.4 2,-0.5 1,-0.1 -50,-0.3 -0.482 89.2-118.3 -71.5 142.7 8.9 46.2 35.4 104 109 A V E -c 53 0A 0 -52,-2.8 -50,-2.9 -2,-0.2 2,-0.5 -0.717 31.4-149.9 -82.0 127.9 9.5 44.8 31.9 105 110 A T E -c 54 0A 0 -2,-0.5 21,-1.3 -52,-0.2 20,-0.7 -0.857 12.7-169.2-109.8 129.8 10.3 47.7 29.5 106 111 A I E -cd 55 126A 0 -52,-2.9 -50,-3.2 -2,-0.5 2,-0.6 -0.976 10.0-152.6-117.5 122.7 9.5 47.7 25.8 107 112 A A E -cd 56 127A 0 19,-3.0 21,-2.5 -2,-0.5 2,-0.6 -0.876 6.6-164.5 -95.5 120.4 10.9 50.4 23.5 108 113 A K E - d 0 128A 27 -52,-2.7 2,-0.5 -2,-0.6 -50,-0.3 -0.931 15.9-158.8-106.8 107.8 8.7 51.1 20.5 109 114 A L E + d 0 129A 4 19,-2.6 21,-2.7 -2,-0.6 2,-0.3 -0.836 25.8 158.5-104.8 119.0 10.7 53.1 18.0 110 115 A R - 0 0 74 -2,-0.5 24,-0.2 19,-0.2 21,-0.0 -0.949 63.5 -2.8-117.2 149.7 9.6 55.2 15.1 111 116 A G S S- 0 0 3 -2,-0.3 24,-2.0 19,-0.1 2,-0.3 -0.188 107.8 -13.8 67.7-160.3 11.9 57.9 13.7 112 117 A R E +gh 63 135C 43 -50,-2.6 -48,-3.3 22,-0.2 -47,-0.6 -0.559 45.1 173.4 -94.1 133.5 15.3 58.7 14.9 113 118 A A E +gh 65 136C 0 22,-2.4 24,-1.4 -2,-0.3 2,-0.3 -0.958 20.1 164.8-132.4 112.5 17.0 57.7 18.2 114 119 A R E > - h 0 137C 0 -49,-1.8 3,-2.3 -2,-0.4 24,-0.2 -0.934 46.1 -12.9-129.9 156.4 20.7 58.7 18.4 115 120 A G T >> S+ 0 0 2 22,-2.0 4,-2.4 -2,-0.3 3,-0.5 -0.380 136.9 2.2 63.9-129.9 23.3 59.0 21.0 116 121 A A H 3> S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.750 132.4 64.3 -61.5 -20.7 21.9 58.9 24.5 117 122 A G H <> S+ 0 0 0 -3,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.914 105.5 41.6 -65.2 -45.4 18.6 58.4 22.7 118 123 A S H <> S+ 0 0 0 -3,-0.5 4,-2.6 19,-0.3 -2,-0.2 0.898 112.5 56.1 -64.4 -41.4 19.8 55.1 21.3 119 124 A E H X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.871 103.2 54.5 -61.9 -36.7 21.4 54.3 24.8 120 125 A F H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 3,-0.4 0.956 111.1 45.1 -57.7 -48.5 17.9 54.8 26.4 121 126 A L H < S+ 0 0 3 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.892 110.3 54.3 -63.5 -41.0 16.5 52.2 24.0 122 127 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 104.9 54.8 -63.1 -29.0 19.5 49.9 24.6 123 128 A A H < S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.731 92.7 89.2 -77.7 -24.1 18.8 50.0 28.3 124 129 A C S < S- 0 0 0 -4,-1.1 -18,-0.1 -3,-0.5 3,-0.1 -0.234 88.3-117.2 -67.5 164.4 15.2 48.9 27.9 125 130 A D S S+ 0 0 0 -20,-0.7 2,-0.3 1,-0.2 315,-0.3 0.823 90.9 15.1 -76.6 -34.4 14.5 45.2 27.9 126 131 A M E -d 106 0A 0 -21,-1.3 -19,-3.0 313,-0.1 2,-0.4 -0.992 63.2-156.7-143.4 143.2 13.2 44.8 24.3 127 132 A R E -d 107 0A 5 -2,-0.3 59,-2.1 -21,-0.2 60,-1.1 -0.990 9.2-179.9-127.3 125.6 13.3 47.0 21.2 128 133 A F E -de 108 187A 0 -21,-2.5 -19,-2.6 -2,-0.4 2,-0.4 -0.995 14.7-163.4-125.5 130.1 10.9 46.9 18.3 129 134 A A E -de 109 188A 0 58,-2.2 60,-2.9 -2,-0.4 2,-0.3 -0.915 24.7-110.8-124.0 138.0 11.4 49.3 15.4 130 135 A S E > - e 0 189A 0 -21,-2.7 4,-2.2 -2,-0.4 46,-0.3 -0.482 23.1-145.9 -61.7 121.4 9.3 50.5 12.5 131 136 A R T 4 S+ 0 0 92 58,-2.4 45,-0.5 -2,-0.3 46,-0.4 0.913 95.3 44.9 -55.5 -43.6 10.8 49.1 9.2 132 137 A E T 4 S+ 0 0 129 57,-0.3 -1,-0.2 1,-0.1 -22,-0.1 0.816 129.7 12.5 -76.1 -33.3 9.9 52.3 7.3 133 138 A N T 4 S+ 0 0 57 -24,-0.1 2,-0.2 -3,-0.1 -2,-0.2 0.536 85.9 113.3-131.2 -2.6 10.9 55.0 9.6 134 139 A A < - 0 0 4 -4,-2.2 42,-0.8 -25,-0.2 2,-0.4 -0.539 37.3-179.5 -77.5 136.2 13.1 53.9 12.6 135 140 A I E -hI 112 175C 31 -24,-2.0 -22,-2.4 -2,-0.2 2,-0.3 -1.000 5.2-170.5-135.4 132.6 16.8 55.1 12.5 136 141 A L E +hI 113 174C 3 38,-2.6 38,-3.0 -2,-0.4 2,-0.3 -0.942 14.5 154.2-121.3 145.0 19.5 54.4 15.1 137 142 A G E -h 114 0C 0 -24,-1.4 -22,-2.0 -2,-0.3 -19,-0.3 -0.980 38.8-141.9-163.9 156.5 22.9 55.9 15.5 138 143 A Q > + 0 0 0 34,-0.5 3,-0.5 29,-0.4 4,-0.4 -0.822 24.5 172.0-118.5 89.0 25.8 56.6 17.8 139 144 A P T 3> + 0 0 4 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.500 51.3 98.8 -74.6 -3.2 27.1 60.1 16.7 140 145 A E H 3>>S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-2.4 0.898 80.1 46.0 -58.4 -48.3 29.4 60.4 19.7 141 146 A V H <45S+ 0 0 0 -3,-0.5 -1,-0.2 27,-0.4 624,-0.1 0.922 111.1 53.8 -63.3 -41.9 32.8 59.3 18.1 142 147 A G H 45S+ 0 0 0 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.0 44.2 -60.5 -36.2 32.2 61.5 15.0 143 148 A I H <5S- 0 0 18 -4,-1.8 107,-0.2 -3,-0.2 -2,-0.2 0.905 133.8 -93.3 -73.1 -43.4 31.6 64.5 17.3 144 149 A G T <5S+ 0 0 2 -4,-3.1 -3,-0.3 1,-0.4 103,-0.2 0.559 89.1 77.8 142.8 23.7 34.7 63.4 19.3 145 150 A A S S+ 0 0 10 -3,-0.2 4,-3.1 81,-0.1 5,-0.4 0.266 95.5 114.5 127.0 -11.4 25.9 52.5 27.8 151 156 A A H >>S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.896 82.6 52.3 -58.6 -38.8 26.2 52.1 24.0 152 157 A I H >5S+ 0 0 1 -5,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.952 115.9 40.2 -59.5 -47.4 29.8 50.7 24.4 153 158 A Q H >5S+ 0 0 10 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.926 123.0 38.2 -70.1 -46.0 28.6 48.0 26.9 154 159 A H H X5S+ 0 0 15 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.919 116.9 47.2 -74.9 -47.7 25.3 47.1 25.2 155 160 A L H X>S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.4 5,-0.6 0.891 108.6 55.2 -65.4 -36.2 26.3 47.2 21.6 156 161 A T H X S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 128.7 45.9 -55.7 -49.2 33.0 43.0 18.4 162 167 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 117.7 40.5 -66.5 -48.3 33.2 43.6 14.7 163 168 A R H > S+ 0 0 31 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.826 114.5 53.4 -71.3 -31.9 29.7 45.1 14.2 164 169 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.909 108.5 49.9 -67.7 -42.3 30.0 47.1 17.4 165 170 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 512,-0.3 5,-0.4 0.929 112.5 49.1 -58.5 -44.1 33.3 48.6 16.2 166 171 A E H X S+ 0 0 3 -4,-2.1 4,-1.9 511,-0.3 6,-0.4 0.965 114.9 42.6 -58.3 -52.9 31.6 49.4 12.9 167 172 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -29,-0.4 0.938 122.3 37.8 -61.6 -47.1 28.5 51.0 14.5 168 173 A V H < S+ 0 0 0 -4,-2.8 -27,-0.4 -5,-0.2 -26,-0.2 0.908 119.4 43.8 -76.2 -42.7 30.4 53.0 17.2 169 174 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.4 -3,-0.2 0.830 117.5 43.7 -77.2 -31.9 33.5 54.1 15.2 170 175 A T H < S- 0 0 1 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.705 86.9-150.1 -81.3 -22.1 31.7 55.1 12.0 171 176 A S < + 0 0 1 -4,-1.0 102,-0.2 -5,-0.3 -3,-0.1 0.715 41.7 158.7 55.7 23.9 28.9 57.0 13.8 172 177 A S - 0 0 26 -6,-0.4 -34,-0.5 -5,-0.3 2,-0.3 -0.357 44.8-109.0 -78.1 154.4 26.7 56.0 10.8 173 178 A D - 0 0 38 -36,-0.2 2,-0.4 -3,-0.1 -36,-0.2 -0.624 29.5-154.2 -80.4 142.2 22.9 55.8 10.8 174 179 A F E -I 136 0C 5 -38,-3.0 -38,-2.6 -2,-0.3 2,-0.1 -0.971 6.9-139.7-119.8 128.8 21.3 52.4 10.7 175 180 A D E > -I 135 0C 89 -2,-0.4 4,-2.9 -40,-0.2 5,-0.2 -0.277 35.7 -97.2 -76.9 172.8 17.8 51.7 9.3 176 181 A A H > S+ 0 0 1 -42,-0.8 4,-2.5 -45,-0.5 5,-0.2 0.891 121.0 51.4 -62.9 -41.9 15.5 49.2 11.1 177 182 A D H > S+ 0 0 65 -46,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.934 115.0 41.7 -64.0 -43.0 16.3 46.3 8.8 178 183 A L H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.893 112.2 55.6 -72.4 -37.9 20.0 46.6 9.3 179 184 A A H X>S+ 0 0 0 -4,-2.9 5,-2.1 2,-0.2 4,-1.3 0.898 110.0 46.9 -57.9 -41.3 19.6 47.3 13.0 180 185 A E H <5S+ 0 0 21 -4,-2.5 3,-0.4 2,-0.2 -2,-0.2 0.941 110.5 51.1 -65.1 -47.1 17.7 44.0 13.2 181 186 A R H <5S+ 0 0 123 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.6 44.5 -58.0 -37.3 20.3 42.1 11.2 182 187 A Y H <5S- 0 0 4 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.706 115.6-115.6 -81.3 -20.2 23.0 43.5 13.5 183 188 A G T <5S+ 0 0 9 -4,-1.3 -3,-0.2 -3,-0.4 253,-0.2 0.527 79.3 124.0 96.3 9.6 21.0 42.9 16.7 184 189 A W S > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.277 37.4-122.4 -52.7 140.4 6.0 47.1 9.5 191 196 A D H >> S+ 0 0 45 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.859 111.0 55.5 -55.1 -39.9 4.9 50.5 10.7 192 197 A A H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.670 115.3 39.0 -68.1 -17.7 1.2 49.7 10.3 193 198 A E H <> S+ 0 0 115 -3,-1.8 4,-2.5 2,-0.1 -1,-0.2 0.502 92.1 89.8-105.2 -10.8 1.6 46.6 12.5 194 199 A L H S+ 0 0 74 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 113.0 53.4 -65.3 -39.0 -0.6 46.1 17.7 197 202 A F H X S+ 0 0 52 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.956 112.8 42.2 -59.4 -53.9 2.6 43.9 17.8 198 203 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.901 112.4 54.4 -63.2 -40.7 3.9 45.7 20.9 199 204 A A H X S+ 0 0 52 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.896 107.9 50.8 -60.1 -38.8 0.5 45.8 22.5 200 205 A G H X S+ 0 0 38 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 109.2 49.9 -64.3 -45.2 0.3 42.0 22.1 201 206 A I H X S+ 0 0 13 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.922 113.7 45.7 -57.0 -49.9 3.7 41.4 23.7 202 207 A A H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.900 109.9 54.7 -62.5 -40.5 2.7 43.6 26.6 203 208 A A H X S+ 0 0 56 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.879 104.1 56.2 -63.0 -39.5 -0.6 41.9 26.9 204 209 A R H >< S+ 0 0 37 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.970 112.3 39.8 -50.0 -60.4 1.1 38.5 27.2 205 210 A M H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.741 97.5 81.1 -71.4 -21.3 3.2 39.5 30.1 206 211 A S H 3< S+ 0 0 36 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 98.9 39.5 -55.2 -32.7 0.3 41.4 31.8 207 212 A G T << S+ 0 0 14 -3,-1.1 346,-0.4 -4,-0.6 -1,-0.3 0.359 92.8 107.7 -99.7 4.5 -1.2 38.2 33.2 208 213 A F S < S- 0 0 1 -3,-1.7 208,-0.1 -4,-0.2 209,-0.1 -0.524 83.8 -85.9 -87.6 150.8 2.0 36.4 34.2 209 214 A P > - 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0 0 4 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.294 34.4-136.6 -57.3 132.3 40.8 12.9 15.4 484 215 B R H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 102.4 51.7 -56.5 -46.2 38.9 12.2 18.7 485 216 B D H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.826 107.0 53.3 -65.4 -31.3 41.2 14.3 20.8 486 217 B A H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.920 109.7 47.8 -67.5 -44.6 40.9 17.3 18.4 487 218 B L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.942 115.7 45.1 -59.4 -47.7 37.1 17.2 18.7 488 219 B I H X S+ 0 0 79 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.921 113.7 48.9 -64.6 -44.9 37.3 16.9 22.5 489 220 B A H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.914 113.9 44.9 -62.9 -46.4 39.9 19.7 22.8 490 221 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.930 115.1 47.6 -66.1 -44.5 38.1 22.2 20.7 491 222 B K H X S+ 0 0 4 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.918 111.7 50.6 -61.7 -45.0 34.7 21.5 22.3 492 223 B S H X S+ 0 0 75 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.911 111.5 48.8 -57.8 -44.4 36.2 21.8 25.8 493 224 B A H X S+ 0 0 20 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.912 113.6 44.9 -65.4 -42.5 37.8 25.1 24.9 494 225 B I H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.7 0.929 112.1 53.0 -67.1 -45.1 34.6 26.6 23.4 495 226 B N H 3X S+ 0 0 6 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.892 102.4 58.6 -55.5 -41.9 32.6 25.3 26.4 496 227 B A H 3< S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.833 112.9 39.8 -60.1 -32.6 34.9 26.9 28.9 497 228 B I H << S+ 0 0 50 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.776 125.0 34.9 -81.3 -33.3 34.2 30.3 27.3 498 229 B S H < S+ 0 0 10 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.453 96.5 83.6-113.1 -5.5 30.5 29.9 26.7 499 230 B L S < S- 0 0 18 -4,-2.3 -71,-0.0 -5,-0.2 -129,-0.0 -0.792 76.0-115.0 -98.9 148.0 29.0 27.8 29.5 500 231 B P - 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