==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-APR-13 4KD6 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA GRAMINIS; . AUTHOR D.KUMARAN,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.1 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 . 1 0.5 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 0 1 0 1 0 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 3 1 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 . 0 0 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 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 4 A D 0 0 137 0, 0.0 15,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.0 32.8 59.8 13.7 2 5 A V E -A 15 0A 12 13,-0.2 2,-0.4 50,-0.0 13,-0.2 -0.975 360.0-139.7-134.3 138.5 32.8 56.0 13.6 3 6 A L E -A 14 0A 75 11,-3.3 11,-2.5 -2,-0.4 2,-0.4 -0.844 9.2-158.0-102.4 142.9 30.0 54.0 11.9 4 7 A F E +A 13 0A 87 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.948 23.5 149.6-116.8 135.7 28.4 50.9 13.2 5 8 A S E -A 12 0A 43 7,-1.9 7,-3.3 -2,-0.4 2,-0.4 -0.953 31.2-133.3-149.6 172.8 26.5 48.4 11.0 6 9 A N E -A 11 0A 96 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.974 5.2-164.0-129.6 144.4 25.7 44.7 10.8 7 10 A H E > S-A 10 0A 79 3,-3.3 3,-1.9 -2,-0.4 2,-0.1 -0.935 75.3 -59.2-125.1 106.2 26.0 42.3 7.9 8 11 A G T 3 S- 0 0 72 -2,-0.5 -1,-0.1 1,-0.2 36,-0.0 -0.360 123.2 -14.4 41.8-124.0 23.9 39.5 9.2 9 12 A R T 3 S+ 0 0 136 -3,-0.1 37,-3.2 -2,-0.1 38,-1.2 0.225 118.6 99.1 -83.0 13.3 25.6 38.4 12.5 10 13 A V E < -Ab 7 47A 4 -3,-1.9 -3,-3.3 35,-0.2 2,-0.3 -0.924 63.1-150.6-105.8 119.1 28.8 40.3 11.6 11 14 A A E -Ab 6 48A 0 36,-2.4 38,-2.7 -2,-0.6 2,-0.5 -0.666 12.4-152.6 -84.0 140.3 29.2 43.7 13.3 12 15 A V E -Ab 5 49A 2 -7,-3.3 -7,-1.9 -2,-0.3 2,-0.6 -0.972 11.3-164.5-125.5 127.5 31.1 46.3 11.4 13 16 A I E -Ab 4 50A 0 36,-3.0 38,-2.6 -2,-0.5 2,-0.5 -0.953 11.3-170.0-109.7 117.1 33.1 49.2 12.8 14 17 A T E -Ab 3 51A 23 -11,-2.5 -11,-3.3 -2,-0.6 2,-0.4 -0.935 19.0-137.5-111.3 121.0 34.0 51.8 10.2 15 18 A L E -Ab 2 52A 0 36,-2.7 38,-2.8 -2,-0.5 2,-0.3 -0.628 24.3-170.8 -76.7 127.5 36.4 54.5 11.0 16 19 A N + 0 0 51 -15,-2.1 -1,-0.1 -2,-0.4 3,-0.1 -0.578 49.4 99.3-135.9 63.8 35.0 57.7 9.6 17 20 A R > > + 0 0 41 -2,-0.3 5,-2.7 36,-0.1 3,-1.7 -0.516 39.5 161.6-135.3 61.9 37.2 60.8 9.6 18 21 A P G > 5 + 0 0 58 0, 0.0 3,-1.6 0, 0.0 38,-0.1 0.790 67.1 60.0 -62.3 -30.5 38.4 60.5 6.1 19 22 A E G 3 5S+ 0 0 144 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.684 111.6 42.7 -72.6 -17.1 39.6 64.1 5.7 20 23 A R G X 5S- 0 0 107 -3,-1.7 3,-2.3 3,-0.1 -1,-0.3 -0.064 122.8-105.9-109.1 25.2 42.0 63.4 8.6 21 24 A L T < 5 - 0 0 75 -3,-1.6 39,-2.1 1,-0.3 40,-0.2 0.806 68.5 -68.9 50.8 39.9 42.9 59.9 7.1 22 25 A N T 3 - 0 0 32 -2,-0.2 4,-2.4 37,-0.1 5,-0.2 -0.879 39.6-107.6-119.5 166.4 40.9 61.1 18.5 26 29 A T H > S+ 0 0 38 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.880 118.8 50.4 -61.6 -40.6 40.0 60.4 22.2 27 30 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.907 109.0 52.2 -68.8 -36.5 36.2 60.4 21.6 28 31 A X H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.948 111.4 46.8 -57.0 -49.2 36.5 58.0 18.6 29 32 A R H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.905 110.1 53.9 -61.3 -36.4 38.5 55.6 20.8 30 33 A E H X S+ 0 0 114 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.934 111.4 45.1 -64.0 -42.6 35.9 56.0 23.7 31 34 A T H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.872 112.5 50.0 -65.7 -40.8 33.1 55.1 21.3 32 35 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.924 107.8 55.1 -68.1 -41.2 35.0 52.1 19.8 33 36 A I H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.912 109.4 47.1 -55.3 -45.8 35.8 50.8 23.3 34 37 A D H X S+ 0 0 77 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.902 112.0 49.4 -64.9 -44.7 32.1 50.8 24.2 35 38 A A H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.910 109.0 52.1 -60.7 -39.6 31.1 49.1 21.0 36 39 A L H X S+ 0 0 2 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.931 109.2 50.6 -63.7 -44.3 33.8 46.4 21.5 37 40 A E H X S+ 0 0 90 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.904 114.3 44.9 -60.1 -38.5 32.5 45.7 25.0 38 41 A R H >X S+ 0 0 171 -4,-2.3 4,-1.8 2,-0.2 3,-0.6 0.961 108.4 53.3 -67.8 -52.6 28.9 45.4 23.7 39 42 A F H 3< S+ 0 0 21 -4,-3.0 3,-0.2 1,-0.2 6,-0.2 0.905 102.9 62.9 -51.7 -36.2 29.6 43.2 20.6 40 43 A N H 3< S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.902 116.1 26.3 -62.6 -40.6 31.4 40.8 23.0 41 44 A R H << S+ 0 0 230 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.595 97.1 112.7 -91.7 -8.5 28.2 40.0 25.0 42 45 A D >< - 0 0 41 -4,-1.8 3,-0.8 -3,-0.2 -4,-0.0 -0.452 54.9-156.3 -76.3 133.4 25.8 40.7 22.2 43 46 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.749 91.0 60.9 -88.2 -28.9 24.0 37.5 20.9 44 47 A E T 3 S+ 0 0 122 1,-0.1 2,-0.6 2,-0.0 -2,-0.1 0.477 95.5 81.7 -55.4 -16.7 23.2 38.9 17.5 45 48 A V < + 0 0 1 -3,-0.8 -35,-0.2 -6,-0.2 3,-0.1 -0.892 39.0 158.8-115.9 113.5 27.0 39.2 17.0 46 49 A A S S+ 0 0 13 -37,-3.2 2,-0.3 -2,-0.6 -36,-0.2 0.564 73.7 2.0-102.6 -10.7 29.2 36.2 16.0 47 50 A A E -b 10 0A 0 -38,-1.2 -36,-2.4 36,-0.2 2,-0.4 -0.977 63.7-134.6-169.2 167.8 32.2 38.3 14.5 48 51 A I E -bc 11 85A 0 36,-2.1 38,-3.4 -2,-0.3 2,-0.4 -0.992 6.5-162.1-139.4 136.7 33.4 41.7 14.0 49 52 A I E -bc 12 86A 0 -38,-2.7 -36,-3.0 -2,-0.4 2,-0.4 -0.964 3.8-164.7-117.7 137.7 35.0 43.7 11.2 50 53 A X E +bc 13 87A 0 36,-2.4 38,-2.9 -2,-0.4 2,-0.3 -0.976 23.6 151.8-115.2 139.3 36.9 46.9 11.6 51 54 A T E -bc 14 88A 14 -38,-2.6 -36,-2.7 -2,-0.4 2,-0.3 -0.921 34.1-118.9-152.1 167.1 37.6 48.9 8.5 52 55 A G E -b 15 0A 6 36,-0.6 -36,-0.2 -2,-0.3 2,-0.2 -0.868 27.1-104.9-115.9 163.0 38.2 52.6 7.5 53 56 A A S S+ 0 0 16 -38,-2.8 4,-0.5 -2,-0.3 3,-0.3 -0.480 77.6 8.0 -82.1 147.7 36.4 55.0 5.3 54 57 A G S S- 0 0 56 1,-0.2 -2,-0.1 -2,-0.2 36,-0.0 -0.113 88.1 -80.1 80.3-169.6 37.7 56.0 1.9 55 58 A N S S+ 0 0 105 1,-0.1 -1,-0.2 -37,-0.0 3,-0.1 0.198 109.0 64.2-121.9 12.9 40.6 54.7 -0.1 56 59 A R S S+ 0 0 188 -3,-0.3 36,-1.2 1,-0.3 2,-0.3 0.804 104.5 13.7-103.4 -37.9 43.7 56.4 1.3 57 60 A A E -g 92 0C 8 -4,-0.5 -1,-0.3 34,-0.3 36,-0.2 -0.997 31.7-161.6-149.7 135.8 43.9 55.0 4.9 58 61 A F E S- 0 0 0 34,-1.5 2,-0.3 -2,-0.3 -5,-0.2 0.949 98.7 -35.6 -58.5 -67.2 42.6 52.4 7.3 59 62 A S E -g 93 0C 0 33,-1.8 35,-1.7 -3,-0.1 -1,-0.3 -0.858 42.3-148.1-156.3 137.7 44.0 54.9 9.8 60 63 A A - 0 0 43 -39,-2.1 2,-0.4 -40,-0.3 36,-0.2 0.485 53.4-124.1 -70.6 -6.9 47.0 57.3 10.0 61 64 A G S S+ 0 0 1 -40,-0.2 -37,-2.8 -39,-0.2 -1,-0.3 -0.789 71.8 23.1 99.3-140.0 47.2 56.7 13.8 62 65 A Q B S-f 24 0B 57 -2,-0.4 2,-0.3 -39,-0.2 -37,-0.1 -0.410 78.5-118.5 -69.5 126.7 47.1 59.6 16.3 63 66 A D - 0 0 10 -39,-2.3 -1,-0.1 -2,-0.2 -42,-0.0 -0.527 23.6-130.2 -56.1 122.7 45.5 62.9 15.1 64 67 A L 0 0 170 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.450 360.0 360.0 -64.6 4.3 48.3 65.3 15.4 65 68 A S 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.540 360.0 360.0-113.7 360.0 45.8 67.5 17.3 66 ! 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 67 81 A W > 0 0 156 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -54.0 47.2 58.9 28.3 68 82 A V H > + 0 0 73 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.784 360.0 58.2 -60.6 -23.4 49.3 55.8 27.8 69 83 A K H > S+ 0 0 159 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.850 101.4 48.6 -70.9 -45.1 46.6 54.4 30.1 70 84 A E H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.922 112.4 51.6 -66.4 -38.9 43.5 55.2 28.0 71 85 A W H X S+ 0 0 19 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.913 106.9 52.8 -56.0 -44.2 45.4 53.6 25.0 72 86 A Q H X S+ 0 0 54 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.865 103.9 57.2 -61.9 -35.1 46.0 50.5 27.2 73 87 A R H X S+ 0 0 129 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.934 107.6 46.8 -64.6 -39.8 42.3 50.4 27.8 74 88 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.971 113.3 48.5 -60.1 -52.3 41.7 50.2 23.9 75 89 A Y H X S+ 0 0 12 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.912 112.1 50.7 -57.0 -37.5 44.4 47.5 23.5 76 90 A T H X S+ 0 0 46 -4,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.859 107.5 51.2 -72.2 -37.2 42.8 45.6 26.4 77 91 A A H < S+ 0 0 6 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.862 111.8 48.1 -67.8 -34.8 39.3 45.8 24.9 78 92 A L H >< S+ 0 0 3 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.943 112.1 49.1 -70.8 -40.2 40.7 44.4 21.6 79 93 A R H 3< S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.669 104.0 63.0 -70.2 -17.9 42.5 41.6 23.5 80 94 A S T 3< S+ 0 0 46 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.519 71.5 120.2 -85.2 -9.5 39.3 40.7 25.5 81 95 A L < - 0 0 5 -3,-1.1 4,-0.1 -4,-0.3 -44,-0.1 -0.350 42.8-168.4 -61.7 142.6 37.1 39.7 22.6 82 96 A S S S+ 0 0 31 2,-0.1 113,-0.2 113,-0.1 -1,-0.1 0.332 73.9 68.6-105.1 0.7 35.8 36.1 22.7 83 97 A K S S- 0 0 31 109,-0.1 -36,-0.2 112,-0.1 101,-0.1 -0.877 98.3 -86.0-124.4 151.5 34.7 36.5 19.1 84 98 A P - 0 0 1 0, 0.0 -36,-2.1 0, 0.0 2,-0.5 -0.249 34.0-156.4 -72.8 143.4 36.7 36.8 15.9 85 99 A L E -c 48 0A 0 -38,-0.2 20,-2.3 -4,-0.1 21,-1.5 -0.984 6.4-165.2-122.3 110.0 37.9 40.2 14.8 86 100 A V E -cd 49 106A 0 -38,-3.4 -36,-2.4 -2,-0.5 2,-0.7 -0.920 10.9-146.2-100.6 129.2 38.7 40.8 11.1 87 101 A X E -cd 50 107A 0 19,-3.1 21,-2.7 -2,-0.5 2,-1.0 -0.861 7.6-163.4 -95.1 111.5 40.7 43.8 9.9 88 102 A A E -cd 51 108A 0 -38,-2.9 2,-1.1 -2,-0.7 -36,-0.6 -0.850 12.4-156.4 -96.6 96.6 39.6 45.0 6.5 89 103 A L + 0 0 0 19,-3.0 21,-0.4 -2,-1.0 24,-0.1 -0.621 22.2 173.0 -86.6 99.8 42.5 47.2 5.5 90 104 A N S S- 0 0 18 -2,-1.1 2,-0.3 19,-0.1 -1,-0.2 0.574 70.0 -28.1 -87.5 -7.5 41.1 49.6 2.9 91 105 A G S S- 0 0 2 -3,-0.1 -34,-0.3 23,-0.1 22,-0.2 -0.960 101.9 -7.2-179.5-163.2 44.5 51.4 3.0 92 106 A T E -g 57 0C 27 -36,-1.2 -33,-1.8 -2,-0.3 -34,-1.5 -0.056 42.4-161.9 -55.8 136.3 47.5 52.3 5.0 93 107 A A E +gh 59 115C 0 21,-2.3 23,-1.8 -35,-0.2 2,-0.3 -0.961 22.8 169.3-121.7 107.9 47.8 51.5 8.8 94 108 A A E > - h 0 116C 10 -35,-1.7 3,-1.7 -2,-0.5 23,-0.2 -0.866 43.9 -18.0-124.2 152.5 50.5 53.5 10.5 95 109 A G T >> S+ 0 0 8 21,-1.7 4,-1.9 -2,-0.3 3,-0.7 -0.248 132.2 1.0 56.4-127.2 51.6 54.1 14.0 96 110 A S H 3> S+ 0 0 15 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.827 133.7 59.0 -67.2 -23.0 49.1 53.3 16.7 97 111 A A H <> S+ 0 0 0 -3,-1.7 4,-2.5 2,-0.2 -1,-0.3 0.822 100.6 55.8 -70.3 -33.4 46.7 52.1 13.9 98 112 A F H <> S+ 0 0 0 -3,-0.7 4,-2.5 18,-0.3 -2,-0.2 0.963 109.1 48.3 -58.5 -47.4 49.4 49.6 12.8 99 113 A Q H X S+ 0 0 11 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.945 110.8 48.0 -61.9 -46.0 49.2 48.2 16.3 100 114 A V H >X S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.932 110.2 53.5 -61.3 -42.5 45.5 48.1 16.4 101 115 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.917 106.6 52.5 -57.5 -38.7 45.5 46.3 13.1 102 116 A L H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.713 99.3 63.5 -78.1 -12.5 47.9 43.7 14.4 103 117 A L H << S+ 0 0 25 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.551 85.3 95.5 -85.9 -9.1 45.6 43.0 17.4 104 118 A G S << S- 0 0 6 -3,-1.3 -18,-0.2 -4,-0.5 3,-0.1 -0.359 80.7-129.1 -62.5 163.3 43.0 41.8 15.0 105 119 A D S S+ 0 0 45 -20,-2.3 2,-0.4 1,-0.3 -19,-0.2 0.912 89.2 21.5 -79.5 -43.3 42.8 38.0 14.4 106 120 A I E -d 86 0A 34 -21,-1.5 -19,-3.1 2,-0.0 2,-0.4 -0.973 67.5-155.1-135.8 135.9 42.9 38.2 10.6 107 121 A R E -d 87 0A 9 -2,-0.4 57,-2.3 -21,-0.2 58,-1.6 -0.970 9.1-178.2-114.9 133.5 44.0 40.9 8.2 108 122 A V E +de 88 165A 0 -21,-2.7 -19,-3.0 -2,-0.4 2,-0.3 -0.970 17.7 152.4-123.6 133.6 42.9 41.5 4.6 109 123 A G E - e 0 166A 0 56,-2.8 58,-2.9 -2,-0.4 -19,-0.1 -0.816 33.5-119.4-142.9-168.9 44.3 44.1 2.4 110 124 A H > - 0 0 12 -21,-0.4 3,-2.5 -2,-0.3 58,-0.2 -0.816 44.2 -87.2-135.3 171.5 45.0 45.2 -1.1 111 125 A P T 3 S+ 0 0 82 0, 0.0 43,-0.5 0, 0.0 44,-0.3 0.601 120.9 54.8 -64.9 -17.3 48.2 46.0 -2.9 112 126 A G T 3 S+ 0 0 42 41,-0.1 2,-0.4 42,-0.1 -20,-0.2 0.434 79.5 116.2 -89.4 -0.3 48.3 49.7 -2.0 113 127 A V < - 0 0 0 -3,-2.5 41,-0.6 -22,-0.2 2,-0.3 -0.564 45.2-170.5 -72.6 122.2 48.1 49.0 1.7 114 128 A R E - I 0 153C 93 -2,-0.4 -21,-2.3 39,-0.2 2,-0.4 -0.849 2.7-168.7-105.1 151.4 51.3 50.2 3.6 115 129 A X E +hI 93 152C 0 37,-1.9 37,-3.4 -2,-0.3 2,-0.3 -1.000 23.5 94.1-139.8 138.2 52.0 49.3 7.2 116 130 A G E -hI 94 151C 1 -23,-1.8 -21,-1.7 -2,-0.4 -18,-0.3 -0.978 59.8 -83.0 170.4-167.4 54.4 50.4 9.8 117 131 A Q > + 0 0 0 33,-0.6 3,-0.6 -2,-0.3 32,-0.1 -0.786 30.0 167.5-127.1 88.1 55.6 52.4 12.7 118 132 A P G > + 0 0 43 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.373 42.8 116.2 -85.5 6.6 57.1 55.9 11.9 119 133 A E G > > + 0 0 31 1,-0.3 5,-2.3 2,-0.2 3,-1.3 0.757 64.7 66.0 -42.4 -42.4 57.0 57.1 15.6 120 134 A I G X 5S+ 0 0 67 -3,-0.6 3,-1.6 26,-0.4 -1,-0.3 0.847 93.7 59.9 -55.8 -33.8 60.8 57.4 15.8 121 135 A N G < 5S+ 0 0 120 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.713 105.4 48.5 -68.6 -21.7 60.8 60.2 13.2 122 136 A A G < 5S- 0 0 77 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.185 124.1-106.2 -96.6 13.1 58.6 62.3 15.5 123 137 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.714 73.3 144.3 67.8 21.6 61.0 61.5 18.4 124 138 A I < - 0 0 92 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.825 45.1-138.8 -93.1 128.4 58.5 59.1 20.0 125 139 A A - 0 0 70 -2,-0.5 2,-0.4 91,-0.2 -6,-0.0 -0.629 23.0-136.0 -82.3 143.5 60.1 56.0 21.8 126 140 A S + 0 0 30 -2,-0.3 -1,-0.0 1,-0.1 20,-0.0 -0.847 41.2 148.7-113.2 135.5 58.2 52.8 21.1 127 141 A T S > S+ 0 0 32 -2,-0.4 4,-1.5 3,-0.1 -1,-0.1 0.611 76.6 45.4-127.1 -42.7 57.2 50.0 23.4 128 142 A T H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.904 111.1 53.9 -70.9 -44.0 53.9 48.5 22.2 129 143 A G H > S+ 0 0 1 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.966 108.4 47.1 -58.1 -52.4 54.9 48.3 18.6 130 144 A P H > S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.888 110.9 53.3 -59.4 -37.9 58.1 46.4 19.2 131 145 A W H X S+ 0 0 40 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.953 115.9 38.2 -59.1 -55.4 56.3 43.9 21.5 132 146 A I H X S+ 0 0 7 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.917 116.5 50.4 -65.1 -45.6 53.6 43.1 19.0 133 147 A X H >X S+ 0 0 1 -4,-3.6 4,-2.0 -5,-0.3 3,-0.7 0.931 111.5 49.3 -61.0 -42.7 55.9 43.2 15.9 134 148 A N H 3X S+ 0 0 62 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.917 103.7 58.4 -62.8 -41.0 58.4 40.8 17.6 135 149 A A H 3< S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.738 121.3 29.6 -60.9 -21.4 55.7 38.3 18.6 136 150 A X H << S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.636 136.3 20.8-106.6 -17.4 54.9 38.0 14.9 137 151 A L H < S- 0 0 25 -4,-2.0 4,-0.5 -5,-0.1 -3,-0.2 0.534 94.7-120.3-132.9 -17.7 58.2 38.7 13.2 138 152 A G X - 0 0 28 -4,-2.3 4,-1.8 -5,-0.4 5,-0.1 -0.099 44.0 -66.8 78.2 172.1 61.1 38.1 15.5 139 153 A X H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.747 121.7 60.7 -79.3 -23.6 63.8 40.7 16.5 140 154 A S H > S+ 0 0 107 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.963 111.9 37.1 -72.3 -48.0 65.6 41.3 13.1 141 155 A R H > S+ 0 0 101 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.934 118.1 53.6 -65.1 -41.7 62.5 42.6 11.2 142 156 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.862 107.6 47.7 -63.0 -41.5 61.3 44.4 14.3 143 157 A I H X S+ 0 0 83 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.955 114.4 46.2 -66.2 -48.9 64.5 46.3 15.1 144 158 A E H X S+ 0 0 82 -4,-1.8 4,-2.4 -5,-0.2 6,-0.4 0.910 114.4 47.9 -61.5 -43.0 64.8 47.5 11.5 145 159 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 5,-0.3 0.906 115.2 45.9 -61.8 -38.6 61.2 48.5 11.3 146 160 A T H < S+ 0 0 20 -4,-2.4 -26,-0.4 -5,-0.2 -2,-0.2 0.938 116.9 40.7 -76.8 -45.5 61.3 50.3 14.6 147 161 A L H < S+ 0 0 111 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.816 122.0 41.1 -74.0 -32.6 64.6 52.3 14.0 148 162 A T H < S- 0 0 60 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.827 88.1-149.9 -76.4 -32.8 63.9 53.1 10.3 149 163 A G < + 0 0 4 -4,-1.8 -3,-0.1 -5,-0.4 -4,-0.1 0.652 39.2 163.0 62.2 20.6 60.2 53.9 11.0 150 164 A R - 0 0 76 -6,-0.4 -33,-0.6 -5,-0.3 2,-0.5 -0.283 40.2-125.6 -70.9 153.9 59.6 52.8 7.3 151 165 A L E -I 116 0C 51 -35,-0.2 2,-0.3 -3,-0.1 -35,-0.2 -0.868 25.8-139.5 -93.4 126.8 56.2 51.8 5.9 152 166 A X E -I 115 0C 0 -37,-3.4 -37,-1.9 -2,-0.5 2,-0.1 -0.687 16.7-115.9 -82.9 144.3 56.2 48.4 4.4 153 167 A E E >> -I 114 0C 96 -2,-0.3 4,-2.3 -39,-0.2 3,-0.7 -0.432 30.4-106.1 -70.5 159.3 54.4 47.7 1.1 154 168 A A H 3> S+ 0 0 0 -41,-0.6 4,-2.2 -43,-0.5 9,-0.2 0.787 117.7 55.7 -53.9 -40.6 51.5 45.3 1.0 155 169 A E H 3> S+ 0 0 111 -44,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.859 108.7 47.2 -65.7 -44.1 53.4 42.5 -0.7 156 170 A E H <> S+ 0 0 29 -3,-0.7 4,-2.6 2,-0.2 6,-0.3 0.953 111.9 52.0 -60.0 -47.5 56.1 42.5 2.1 157 171 A C H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 6,-1.6 0.879 114.0 43.4 -56.1 -41.3 53.3 42.5 4.8 158 172 A H H ><5S+ 0 0 81 -4,-2.2 3,-1.0 4,-0.2 -1,-0.2 0.926 112.2 51.4 -73.7 -45.7 51.7 39.5 3.1 159 173 A R H 3<5S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.901 111.8 46.8 -61.5 -41.2 54.9 37.6 2.5 160 174 A I T 3<5S- 0 0 25 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.462 122.3-105.4 -84.2 1.9 56.1 37.9 6.2 161 175 A G T < 5S+ 0 0 42 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.534 90.9 111.6 94.6 3.9 52.7 36.9 7.5 162 176 A L S > - 0 0 104 -2,-0.3 3,-2.5 -58,-0.2 4,-0.5 -0.322 52.8-113.3 -60.3 141.2 41.7 43.8 -5.3 169 183 A E G >4 S+ 0 0 93 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.887 118.2 51.0 -42.9 -44.6 41.0 47.1 -3.5 170 184 A D G 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.543 109.4 51.6 -76.8 -7.1 37.3 46.9 -4.3 171 185 A K G <> S+ 0 0 91 -3,-2.5 4,-2.4 2,-0.1 5,-0.3 0.386 79.5 96.5-100.8 -3.2 37.1 43.3 -2.9 172 186 A V H S+ 0 0 56 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.943 113.5 49.0 -70.1 -43.8 35.5 44.3 2.4 174 188 A D H > S+ 0 0 89 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.851 112.4 48.4 -58.7 -40.9 33.8 41.3 0.7 175 189 A K H X S+ 0 0 50 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.945 111.4 51.0 -64.7 -44.3 36.8 39.1 1.5 176 190 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.921 112.2 47.3 -55.8 -45.3 36.7 40.4 5.1 177 191 A L H X S+ 0 0 41 -4,-2.9 4,-3.6 2,-0.2 5,-0.2 0.924 110.7 50.9 -64.1 -43.6 33.0 39.6 5.3 178 192 A E H X S+ 0 0 101 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.933 113.7 44.4 -62.1 -43.3 33.5 36.1 3.9 179 193 A I H X S+ 0 0 6 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.933 114.3 49.3 -64.0 -45.4 36.3 35.4 6.3 180 194 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.925 111.1 50.1 -63.3 -42.8 34.3 36.8 9.2 181 195 A T H X S+ 0 0 74 -4,-3.6 4,-1.1 2,-0.2 -1,-0.2 0.924 110.7 49.7 -55.5 -44.7 31.3 34.8 8.2 182 196 A E H < S+ 0 0 97 -4,-2.3 4,-0.3 -5,-0.2 3,-0.3 0.909 114.5 44.3 -65.8 -40.6 33.4 31.6 8.0 183 197 A L H >< S+ 0 0 26 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.861 105.3 61.2 -74.6 -33.7 34.8 32.3 11.5 184 198 A A H 3< S+ 0 0 28 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.818 100.8 58.0 -55.4 -29.3 31.4 33.2 12.8 185 199 A A T 3< S+ 0 0 83 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.587 81.8 104.9 -81.3 -8.0 30.4 29.5 11.9 186 200 A K S < S- 0 0 94 -3,-1.4 -3,-0.0 -4,-0.3 5,-0.0 -0.363 94.0 -83.4 -70.7 151.9 33.1 27.9 14.1 187 201 A P > - 0 0 91 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.341 41.6-137.7 -56.7 123.2 31.8 26.4 17.3 188 202 A P H > S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.716 96.2 53.0 -58.6 -35.2 31.7 29.3 19.8 189 203 A V H > S+ 0 0 86 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.921 111.5 45.7 -65.9 -47.8 33.1 27.6 22.9 190 204 A A H > S+ 0 0 48 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.925 113.6 52.0 -63.7 -44.4 36.3 26.4 21.0 191 205 A X H X S+ 0 0 32 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.942 112.3 44.2 -52.4 -53.9 36.6 30.0 19.4 192 206 A R H X S+ 0 0 107 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.915 115.6 47.3 -60.9 -43.1 36.4 31.7 22.8 193 207 A L H X S+ 0 0 80 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.925 111.4 50.9 -68.3 -38.5 38.8 29.2 24.4 194 208 A D H X S+ 0 0 91 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.947 112.7 46.5 -59.7 -48.3 41.2 29.6 21.5 195 209 A K H X S+ 0 0 19 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.891 110.3 51.9 -64.9 -37.0 41.1 33.3 21.8 196 210 A Q H X S+ 0 0 83 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.890 108.1 53.9 -64.8 -38.0 41.5 33.2 25.5 197 211 A R H X S+ 0 0 129 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.952 107.3 49.3 -62.4 -44.5 44.6 31.0 25.0 198 212 A F H X S+ 0 0 109 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.871 111.2 51.3 -59.7 -40.3 46.2 33.5 22.6 199 213 A R H X S+ 0 0 77 -4,-1.9 4,-1.6 2,-0.2 3,-0.5 0.966 110.8 47.1 -61.0 -49.9 45.6 36.2 25.2 200 214 A E H < S+ 0 0 90 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.892 109.6 53.8 -61.8 -37.3 47.2 34.1 28.0 201 215 A X H < S+ 0 0 122 -4,-2.6 -1,-0.3 1,-0.2 4,-0.2 0.832 119.5 33.8 -64.6 -36.0 50.2 33.3 25.8 202 216 A T H X S+ 0 0 44 -4,-1.5 4,-2.0 -3,-0.5 3,-0.3 0.551 92.9 92.8 -99.8 -8.8 50.8 36.9 25.1 203 217 A E H X S+ 0 0 55 -4,-1.6 4,-3.1 -3,-0.2 5,-0.3 0.909 82.3 52.9 -56.0 -47.6 49.7 38.5 28.4 204 218 A P H > S+ 0 0 94 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.917 112.9 45.5 -58.4 -39.6 53.1 38.6 30.2 205 219 A G H > S+ 0 0 26 -3,-0.3 4,-1.8 -4,-0.2 -2,-0.2 0.860 112.2 51.9 -67.6 -35.8 54.7 40.4 27.2 206 220 A F H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.952 111.4 46.7 -64.1 -48.2 51.7 42.8 27.1 207 221 A I H X S+ 0 0 62 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.933 110.7 54.2 -57.8 -46.3 52.0 43.6 30.8 208 222 A D H X S+ 0 0 102 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.904 109.9 44.6 -57.7 -41.5 55.7 44.1 30.4 209 223 A C H X S+ 0 0 6 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.845 110.2 54.4 -83.7 -26.1 55.4 46.6 27.6 210 224 A I H X S+ 0 0 22 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.960 113.3 43.3 -55.1 -57.3 52.6 48.5 29.4 211 225 A E H X S+ 0 0 127 -4,-2.6 4,-1.2 1,-0.2 3,-0.5 0.943 112.4 52.6 -59.0 -46.7 54.9 48.9 32.5 212 226 A A H X S+ 0 0 11 -4,-2.9 4,-3.1 -5,-0.3 -1,-0.2 0.877 105.5 59.6 -55.0 -35.2 57.9 49.7 30.1 213 227 A G H < S+ 0 0 10 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.862 101.8 48.4 -59.4 -44.7 55.5 52.4 28.7 214 228 A E H < S+ 0 0 119 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.989 120.1 39.8 -54.2 -74.0 55.0 54.3 32.0 215 229 A R H < 0 0 186 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.882 360.0 360.0 -34.3 -71.4 58.7 54.3 32.6 216 230 A I < 0 0 119 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.905 360.0 360.0 -78.2 360.0 59.9 55.0 29.0