==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-DEC-10 3PZK . COMPND 2 MOLECULE: E ENOYL-COA HYDRATASE ECHA8; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.B.BRUNING,E.DELGADO,S.GHOSH,J.C.SACCHETTINI,TB STRUCTURAL . 749 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 4.9 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 . 6 0.8 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 . 31 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 4 1 0 5 3 3 4 2 1 5 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 7 6 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 PARALLEL BRIDGES PER LADDER . 3 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 0 3 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 2 A T 0 0 147 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 114.6 29.0 -9.4 -2.1 2 3 A Y - 0 0 83 3,-0.2 5,-0.1 1,-0.1 0, 0.0 -0.960 360.0-165.8-114.2 137.7 25.2 -9.3 -2.2 3 4 A E S S+ 0 0 154 -2,-0.4 -1,-0.1 1,-0.1 28,-0.1 0.693 88.0 27.5 -93.2 -20.4 23.3 -6.2 -1.4 4 5 A T S S+ 0 0 6 26,-0.2 15,-3.2 1,-0.1 2,-0.3 0.397 118.0 45.5-122.7 1.3 19.8 -7.7 -1.0 5 6 A I E -A 18 0A 5 13,-0.3 2,-0.4 15,-0.0 13,-0.2 -0.970 62.3-134.8-144.8 158.6 20.4 -11.3 0.1 6 7 A L E -A 17 0A 90 11,-2.8 11,-2.9 -2,-0.3 2,-0.5 -0.961 19.6-160.8-113.6 132.3 22.5 -13.5 2.5 7 8 A V E +A 16 0A 46 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.943 12.8 177.4-121.7 116.8 24.1 -16.7 1.1 8 9 A E E -A 15 0A 88 7,-2.5 7,-2.4 -2,-0.5 2,-0.5 -0.819 18.0-151.6-118.2 153.9 25.2 -19.4 3.5 9 10 A R E +A 14 0A 128 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.945 14.5 173.7-129.8 112.5 26.8 -22.9 3.1 10 11 A D E > -A 13 0A 50 3,-2.5 3,-2.5 -2,-0.5 2,-0.2 -0.950 66.7 -60.9-118.8 107.5 26.3 -25.7 5.6 11 12 A Q T 3 S- 0 0 170 -2,-0.5 173,-0.0 1,-0.3 36,-0.0 -0.353 121.3 -14.4 51.8-116.2 27.7 -29.0 4.4 12 13 A R T 3 S+ 0 0 77 -2,-0.2 37,-3.3 36,-0.1 38,-1.6 0.261 118.9 97.5 -98.6 15.2 25.9 -29.8 1.1 13 14 A V E < -Ab 10 50A 2 -3,-2.5 -3,-2.5 35,-0.2 2,-0.4 -0.895 54.9-161.4-111.8 124.5 23.1 -27.3 1.7 14 15 A G E -Ab 9 51A 0 36,-3.0 38,-2.9 -2,-0.5 2,-0.4 -0.812 9.3-161.1 -99.2 143.0 23.1 -23.8 0.2 15 16 A I E -Ab 8 52A 9 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.6 -0.970 8.5-168.5-134.0 117.3 20.8 -21.2 1.8 16 17 A I E -Ab 7 53A 0 36,-3.4 38,-2.5 -2,-0.4 2,-0.6 -0.925 8.4-170.1-106.0 118.0 19.6 -18.0 0.2 17 18 A T E -Ab 6 54A 35 -11,-2.9 -11,-2.8 -2,-0.6 38,-0.2 -0.951 21.5-132.5-110.6 118.2 18.0 -15.6 2.6 18 19 A L E -A 5 0A 3 36,-2.7 2,-0.3 -2,-0.6 -13,-0.3 -0.523 26.5-167.2 -63.8 132.3 16.2 -12.6 1.1 19 20 A N + 0 0 71 -15,-3.2 -1,-0.1 -2,-0.2 36,-0.1 -0.621 49.0 97.5-135.8 73.7 17.4 -9.6 3.1 20 21 A R > > + 0 0 60 -2,-0.3 5,-2.2 2,-0.0 3,-2.1 -0.390 28.2 159.3-145.4 70.2 15.5 -6.4 2.7 21 22 A P T 3 5 + 0 0 75 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 0.533 67.6 80.1 -69.0 -5.9 13.1 -6.3 5.7 22 23 A Q T 3 5S+ 0 0 110 1,-0.2 -3,-0.0 4,-0.1 -2,-0.0 0.771 111.8 22.8 -66.1 -26.2 13.0 -2.5 5.0 23 24 A A T X 5S- 0 0 33 -3,-2.1 3,-0.5 3,-0.1 -1,-0.2 0.137 119.7-104.6-123.0 15.4 10.6 -3.5 2.3 24 25 A L T 3 5S- 0 0 49 1,-0.2 38,-2.7 -3,-0.2 39,-0.3 0.933 76.7 -58.3 57.4 47.1 9.5 -6.8 3.8 25 26 A N T 3 - 0 0 36 -2,-0.8 4,-2.3 36,-0.2 3,-0.2 -0.482 55.8 -87.4 -98.7 179.4 13.0 -5.7 -7.2 29 30 A S H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.855 128.5 54.5 -50.8 -38.6 15.1 -6.3 -10.3 30 31 A Q H > S+ 0 0 75 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 106.1 48.7 -68.7 -41.9 18.2 -6.5 -8.0 31 32 A V H > S+ 0 0 1 -3,-0.2 4,-2.9 2,-0.2 5,-0.4 0.968 111.2 52.3 -60.4 -51.6 16.7 -9.2 -5.8 32 33 A M H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.934 113.2 43.6 -45.6 -55.4 15.8 -11.2 -9.0 33 34 A N H X S+ 0 0 79 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.899 115.9 46.6 -62.8 -42.2 19.4 -10.9 -10.3 34 35 A E H X S+ 0 0 21 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.879 113.3 46.7 -72.2 -38.6 21.1 -11.7 -7.1 35 36 A V H X S+ 0 0 0 -4,-2.9 4,-3.5 -5,-0.2 5,-0.3 0.948 115.0 47.2 -66.5 -47.7 19.0 -14.7 -6.1 36 37 A T H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.861 112.5 49.2 -60.9 -39.7 19.3 -16.1 -9.6 37 38 A S H X S+ 0 0 63 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.890 115.3 45.2 -65.0 -40.9 23.1 -15.5 -9.7 38 39 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 113.2 47.8 -69.0 -49.6 23.4 -17.2 -6.3 39 40 A A H X S+ 0 0 2 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.901 110.9 54.1 -58.6 -42.3 21.1 -20.2 -7.1 40 41 A T H X S+ 0 0 46 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.896 110.4 44.2 -64.2 -40.4 23.0 -20.6 -10.4 41 42 A E H X S+ 0 0 114 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.943 112.3 51.1 -67.0 -49.0 26.4 -20.8 -8.6 42 43 A L H < S+ 0 0 2 -4,-2.6 6,-0.2 1,-0.2 -2,-0.2 0.868 108.6 55.3 -52.8 -35.8 25.2 -23.1 -5.9 43 44 A D H < S+ 0 0 14 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.912 110.4 43.2 -63.2 -44.2 23.8 -25.3 -8.8 44 45 A D H < S+ 0 0 114 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.654 92.6 98.0 -78.7 -17.7 27.2 -25.5 -10.4 45 46 A D >< - 0 0 31 -4,-1.7 3,-1.3 1,-0.1 -4,-0.0 -0.646 64.0-155.3 -74.0 118.4 28.9 -26.1 -7.1 46 47 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 145,-0.1 0.658 89.7 65.9 -66.7 -19.5 29.4 -29.9 -6.7 47 48 A D T 3 S+ 0 0 106 2,-0.0 2,-0.5 -34,-0.0 -2,-0.1 0.347 89.8 80.7 -86.6 6.8 29.5 -29.6 -2.9 48 49 A I < + 0 0 7 -3,-1.3 -35,-0.2 -6,-0.2 -36,-0.1 -0.961 41.9 164.3-116.7 127.3 25.9 -28.5 -2.9 49 50 A G S S+ 0 0 7 -37,-3.3 2,-0.3 -2,-0.5 -36,-0.2 0.500 70.1 27.5-115.6 -10.5 23.0 -31.0 -3.1 50 51 A A E -b 13 0A 0 -38,-1.6 -36,-3.0 35,-0.1 2,-0.4 -0.993 60.9-155.4-153.3 150.3 20.2 -28.8 -2.0 51 52 A I E -bc 14 87A 0 35,-1.8 37,-2.8 -2,-0.3 2,-0.4 -0.993 7.7-159.7-132.1 127.8 19.3 -25.1 -2.0 52 53 A I E -bc 15 88A 4 -38,-2.9 -36,-3.4 -2,-0.4 2,-0.5 -0.887 0.9-162.4-107.9 138.9 16.9 -23.3 0.4 53 54 A I E +bc 16 89A 0 35,-2.9 37,-2.6 -2,-0.4 2,-0.3 -0.985 23.7 156.6-119.3 125.0 15.2 -20.0 -0.3 54 55 A T E -bc 17 90A 7 -38,-2.5 -36,-2.7 -2,-0.5 37,-0.1 -0.976 24.3-160.1-143.3 155.2 13.8 -18.1 2.7 55 56 A G - 0 0 8 35,-0.7 5,-0.3 -2,-0.3 2,-0.2 0.068 49.4 -55.3-103.8-138.9 12.8 -14.6 3.8 56 57 A S - 0 0 36 3,-2.1 36,-0.3 36,-0.2 -1,-0.3 -0.529 53.1-100.6 -97.5 174.2 12.3 -13.2 7.3 57 58 A A S S+ 0 0 87 1,-0.2 3,-0.1 -2,-0.2 36,-0.1 0.629 125.1 45.9 -71.1 -11.7 10.0 -14.6 9.9 58 59 A K S S+ 0 0 133 1,-0.3 36,-1.9 35,-0.1 2,-0.3 0.718 127.1 10.5 -99.6 -28.0 7.6 -11.8 9.1 59 60 A A E -Gh 93 94C 0 34,-0.3 -3,-2.1 1,-0.1 -1,-0.3 -0.815 40.0-167.5-160.3 114.5 7.8 -12.1 5.3 60 61 A F E S- 0 0 0 32,-1.4 35,-0.2 34,-0.6 2,-0.2 0.974 98.5 -32.5 -54.8 -56.0 9.2 -14.5 2.8 61 62 A A E - h 0 95C 0 33,-2.5 35,-1.6 31,-0.2 38,-0.3 -0.655 58.6-151.5-168.2 112.0 8.5 -11.8 0.3 62 63 A A - 0 0 25 -38,-2.7 2,-0.3 33,-0.2 33,-0.1 0.716 66.7 -57.0 -65.2 -23.3 5.6 -9.4 0.7 63 64 A G - 0 0 13 -39,-0.3 -36,-2.2 -38,-0.2 34,-0.2 -0.985 63.2 -62.9 174.1-173.3 5.2 -8.8 -3.0 64 65 A A B -f 27 0B 45 -2,-0.3 2,-0.7 -38,-0.2 -36,-0.2 -0.319 63.4 -93.4 -80.5 179.1 6.9 -7.6 -6.2 65 66 A D - 0 0 68 -38,-1.2 -36,-0.1 1,-0.2 -1,-0.0 -0.884 28.8-147.8-105.4 114.0 8.0 -4.0 -6.4 66 67 A I 0 0 59 -2,-0.7 -1,-0.2 1,-0.1 422,-0.0 0.900 360.0 360.0 -38.4 -77.1 5.4 -1.6 -7.9 67 68 A K 0 0 127 421,-0.1 -1,-0.1 -39,-0.0 -2,-0.0 -0.474 360.0 360.0 -63.7 360.0 7.7 0.9 -9.6 68 ! 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 69 79 A F > 0 0 179 0, 0.0 3,-2.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -65.8 7.9 -7.1 -25.4 70 80 A T T 3 + 0 0 126 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.723 360.0 29.0 -36.1 -58.2 11.2 -5.3 -25.8 71 81 A A T 3 S- 0 0 92 1,-0.0 -1,-0.3 2,-0.0 4,-0.2 0.563 93.1-133.0 -85.6 -8.0 12.9 -6.0 -22.4 72 82 A D X - 0 0 37 -3,-2.0 3,-2.0 1,-0.1 4,-0.2 0.948 34.7-143.6 49.7 51.7 11.2 -9.3 -21.8 73 83 A F T 3 S+ 0 0 55 1,-0.3 -1,-0.1 2,-0.1 403,-0.1 -0.099 71.9 8.8 -51.7 136.2 10.5 -8.0 -18.3 74 84 A F T > S+ 0 0 57 -3,-0.1 3,-1.2 1,-0.1 4,-0.4 0.381 90.2 121.5 76.5 -2.5 10.8 -10.6 -15.4 75 85 A A G X + 0 0 38 -3,-2.0 3,-0.8 1,-0.2 4,-0.1 0.680 58.0 71.5 -69.3 -17.4 12.2 -13.2 -17.8 76 86 A T G > S+ 0 0 44 1,-0.2 3,-1.9 -4,-0.2 -1,-0.2 0.768 83.6 70.0 -71.2 -24.8 15.4 -13.7 -15.7 77 87 A W G X> S+ 0 0 3 -3,-1.2 3,-2.9 1,-0.3 4,-0.8 0.847 81.2 74.8 -54.4 -36.2 13.3 -15.4 -13.0 78 88 A G H <> S+ 0 0 47 -3,-0.8 4,-0.7 -4,-0.4 -1,-0.3 0.699 81.8 72.8 -50.8 -16.9 13.0 -18.3 -15.5 79 89 A K H <4 S+ 0 0 107 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.693 87.7 58.3 -76.5 -19.9 16.6 -19.0 -14.5 80 90 A L H X4 S+ 0 0 3 -3,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.847 102.5 55.1 -73.0 -35.1 15.6 -20.3 -11.1 81 91 A A H 3< S+ 0 0 46 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.726 101.0 58.6 -70.5 -22.6 13.5 -22.9 -12.8 82 92 A A T 3< S+ 0 0 71 -4,-0.7 2,-0.3 2,-0.0 -1,-0.3 0.369 76.4 119.3 -89.4 4.5 16.5 -24.1 -14.8 83 93 A V < - 0 0 4 -3,-1.3 4,-0.1 1,-0.1 -43,-0.1 -0.564 51.0-160.5 -68.9 127.4 18.3 -24.9 -11.6 84 94 A R + 0 0 148 -2,-0.3 -1,-0.1 2,-0.1 114,-0.1 0.902 66.5 80.8 -81.7 -40.4 19.1 -28.7 -11.7 85 95 A T S S- 0 0 4 1,-0.1 -35,-0.1 113,-0.1 -36,-0.1 -0.341 97.0 -92.8 -60.1 142.5 19.7 -29.1 -7.9 86 96 A P - 0 0 2 0, 0.0 -35,-1.8 0, 0.0 2,-0.4 -0.224 42.0-154.2 -60.4 149.6 16.6 -29.5 -5.8 87 97 A T E -c 51 0A 3 -37,-0.2 21,-2.4 -4,-0.1 20,-0.7 -0.977 8.4-163.5-134.0 138.8 15.3 -26.3 -4.2 88 98 A I E -cd 52 108A 0 -37,-2.8 -35,-2.9 -2,-0.4 2,-0.7 -0.986 8.7-150.9-126.8 125.4 13.2 -25.8 -1.1 89 99 A A E -cd 53 109A 0 19,-3.0 21,-2.6 -2,-0.4 2,-0.8 -0.860 6.1-161.8 -96.2 118.8 11.2 -22.6 -0.3 90 100 A A E -cd 54 110A 0 -37,-2.6 -35,-0.7 -2,-0.7 2,-0.6 -0.881 16.8-164.1 -98.0 105.8 10.9 -22.0 3.5 91 101 A V E + d 0 111A 0 19,-2.7 21,-3.0 -2,-0.8 2,-0.4 -0.824 15.2 173.7-104.1 116.8 8.0 -19.6 3.7 92 102 A A - 0 0 7 -2,-0.6 -32,-1.4 -36,-0.3 -36,-0.2 -0.936 58.1 -32.0-113.7 141.5 7.2 -17.6 6.9 93 103 A G B S+G 59 0C 8 -2,-0.4 23,-3.0 -34,-0.2 2,-0.4 -0.231 116.2 29.9 58.6-133.3 4.6 -14.9 7.0 94 104 A Y E +hi 59 116C 105 -36,-1.9 -33,-2.5 21,-0.2 -34,-0.6 -0.452 49.0 160.1 -73.6 117.9 3.9 -12.9 3.9 95 105 A A E +hi 61 117C 0 21,-2.7 23,-1.1 -2,-0.4 2,-0.3 -0.796 27.3 157.6-126.9 88.6 4.4 -14.6 0.5 96 106 A L E > - i 0 118C 28 -35,-1.6 3,-2.8 -2,-0.3 23,-0.2 -0.846 52.2 -27.2-119.3 150.6 2.3 -12.3 -1.8 97 107 A G T 3> S+ 0 0 5 21,-1.7 4,-2.5 -2,-0.3 3,-0.3 -0.249 140.0 10.2 50.0-123.0 2.3 -11.6 -5.5 98 108 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.759 131.6 58.7 -53.0 -28.9 5.9 -12.2 -6.7 99 109 A G H <> S+ 0 0 0 -3,-2.8 4,-2.0 -38,-0.3 -1,-0.2 0.944 107.3 44.3 -66.6 -50.2 6.6 -13.7 -3.3 100 110 A C H > S+ 0 0 1 18,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.925 114.8 50.7 -58.5 -43.5 4.0 -16.4 -3.7 101 111 A E H X S+ 0 0 4 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.918 108.3 51.2 -63.5 -42.7 5.2 -16.9 -7.3 102 112 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.883 109.0 51.2 -60.6 -39.8 8.8 -17.3 -6.2 103 113 A A H >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.874 108.8 51.8 -66.4 -36.3 7.8 -19.9 -3.6 104 114 A M H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.712 98.7 65.0 -70.5 -24.2 5.8 -21.8 -6.3 105 115 A M H 3< S+ 0 0 12 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.763 89.5 88.4 -67.2 -26.9 8.9 -21.8 -8.5 106 116 A C S << S- 0 0 2 -4,-0.7 -18,-0.1 -3,-0.6 3,-0.1 -0.342 79.0-132.9 -73.5 155.0 10.6 -24.0 -5.9 107 117 A D S S+ 0 0 4 -20,-0.7 2,-0.4 1,-0.2 547,-0.3 0.977 91.4 30.6 -68.5 -60.8 10.4 -27.8 -5.9 108 118 A V E S-d 88 0A 0 -21,-2.4 -19,-3.0 546,-0.1 2,-0.5 -0.863 71.4-160.1-106.1 136.2 9.6 -28.3 -2.2 109 119 A L E -d 89 0A 4 -2,-0.4 58,-2.6 -21,-0.2 59,-1.2 -0.930 7.6-176.3-122.3 110.2 7.6 -25.8 -0.3 110 120 A I E -de 90 168A 0 -21,-2.6 -19,-2.7 -2,-0.5 2,-0.3 -0.913 14.0-163.5-106.0 119.4 7.7 -25.8 3.6 111 121 A A E -de 91 169A 0 57,-2.3 59,-2.4 -2,-0.6 2,-0.2 -0.754 16.0-132.3-105.3 146.7 5.4 -23.2 5.2 112 122 A A E > - 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0 0 1 -321,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.281 42.6-136.7 -42.9 132.2 -23.8 -51.1 -17.7 699 201 C A H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.877 102.5 45.3 -69.1 -37.7 -20.6 -52.6 -18.9 700 202 C S H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.884 112.3 51.9 -72.5 -39.5 -20.3 -50.4 -21.9 701 203 C A H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.920 110.8 46.7 -63.3 -45.2 -21.2 -47.3 -19.9 702 204 C A H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.894 111.6 51.4 -66.0 -39.1 -18.6 -47.9 -17.2 703 205 C R H X S+ 0 0 59 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.869 113.6 44.8 -67.4 -34.7 -15.9 -48.6 -19.9 704 206 C M H X S+ 0 0 36 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.942 111.6 52.2 -70.9 -48.5 -16.7 -45.3 -21.6 705 207 C A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.933 112.2 46.7 -49.6 -50.0 -16.9 -43.4 -18.4 706 208 C K H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.853 112.1 48.8 -65.1 -40.5 -13.4 -44.7 -17.4 707 209 C E H X S+ 0 0 57 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.901 110.2 52.8 -65.5 -43.0 -11.9 -44.0 -20.8 708 210 C A H >X S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 4,-0.6 0.950 109.5 48.4 -56.3 -50.6 -13.3 -40.5 -20.7 709 211 C V H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.896 107.4 55.4 -60.3 -42.3 -11.8 -39.8 -17.3 710 212 C N H >< S+ 0 0 36 -4,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.766 95.6 68.6 -59.8 -26.7 -8.4 -41.1 -18.5 711 213 C R H XX S+ 0 0 64 -4,-1.2 3,-2.2 -3,-0.9 4,-0.9 0.790 80.2 77.4 -62.6 -28.6 -8.6 -38.6 -21.3 712 214 C A T << S+ 0 0 8 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.666 97.7 45.0 -62.4 -13.3 -8.2 -35.8 -18.8 713 215 C F T <4 S+ 0 0 35 -3,-1.5 -504,-2.7 -4,-0.2 -1,-0.3 0.436 107.5 56.2-106.5 1.4 -4.4 -36.6 -18.6 714 216 C E T <4 S+ 0 0 46 -3,-2.2 2,-0.3 -506,-0.2 -506,-0.2 0.514 108.8 9.0-118.5 -8.0 -3.6 -37.0 -22.3 715 217 C S S < S- 0 0 53 -4,-0.9 -1,-0.1 -508,-0.1 -253,-0.1 -0.942 86.4 -62.4-156.2-179.4 -4.7 -33.7 -23.9 716 218 C S > - 0 0 32 -2,-0.3 4,-2.4 -255,-0.2 -255,-0.2 -0.214 51.9-108.5 -62.2 159.0 -5.9 -30.2 -23.6 717 219 C L H > S+ 0 0 16 -257,-2.5 4,-2.5 1,-0.2 5,-0.2 0.895 118.4 56.4 -59.0 -43.5 -9.2 -29.5 -21.9 718 220 C S H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.889 111.4 43.1 -57.2 -43.0 -10.8 -28.5 -25.3 719 221 C E H > S+ 0 0 107 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.908 112.9 51.6 -69.7 -40.6 -9.8 -31.8 -26.8 720 222 C G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.877 109.9 50.8 -62.1 -37.1 -10.9 -33.8 -23.7 721 223 C L H X S+ 0 0 31 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.878 111.6 47.0 -67.1 -42.1 -14.3 -32.1 -23.8 722 224 C L H X S+ 0 0 59 -4,-1.5 4,-2.2 -5,-0.2 5,-0.2 0.951 111.8 50.7 -66.7 -45.7 -14.7 -32.9 -27.5 723 225 C Y H X S+ 0 0 92 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.938 111.5 48.3 -55.4 -50.0 -13.7 -36.5 -26.9 724 226 C E H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.872 109.7 51.8 -61.2 -41.3 -16.2 -36.8 -24.0 725 227 C R H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.892 110.9 46.9 -65.3 -37.7 -19.0 -35.3 -26.0 726 228 C R H X S+ 0 0 84 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.878 112.5 49.7 -72.1 -35.2 -18.5 -37.7 -28.9 727 229 C L H X S+ 0 0 20 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.897 109.4 53.3 -66.9 -38.8 -18.3 -40.7 -26.6 728 230 C F H X S+ 0 0 4 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.897 107.4 50.0 -60.3 -44.1 -21.5 -39.4 -25.0 729 231 C H H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.907 107.5 55.8 -61.4 -43.4 -23.2 -39.3 -28.4 730 232 C S H >< S+ 0 0 45 -4,-2.1 3,-3.2 1,-0.2 4,-0.2 0.878 92.9 68.4 -54.0 -44.2 -22.0 -42.9 -29.0 731 233 C A H >< S+ 0 0 2 -4,-1.8 3,-1.7 1,-0.3 6,-0.5 0.796 89.4 66.1 -50.1 -30.4 -23.7 -44.1 -25.8 732 234 C F T << S+ 0 0 9 -3,-1.2 -412,-0.4 -4,-0.6 -1,-0.3 0.474 91.6 62.3 -73.0 -1.4 -27.0 -43.4 -27.5 733 235 C A T < S+ 0 0 76 -3,-3.2 2,-0.3 -414,-0.2 -1,-0.3 0.353 91.5 89.1 -98.7 1.8 -26.2 -46.2 -30.0 734 236 C T S <> S- 0 0 34 -3,-1.7 4,-1.3 -4,-0.2 3,-0.4 -0.765 76.4-136.0-104.2 147.6 -26.2 -48.7 -27.2 735 237 C E H > S+ 0 0 81 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.836 103.5 64.8 -63.9 -32.5 -29.1 -50.7 -25.8 736 238 C D H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.844 99.6 50.1 -63.0 -37.1 -27.9 -49.9 -22.2 737 239 C Q H > S+ 0 0 4 -6,-0.5 4,-2.3 -3,-0.4 5,-0.2 0.939 111.3 48.5 -64.5 -48.5 -28.5 -46.2 -22.6 738 240 C S H X S+ 0 0 63 -4,-1.3 4,-1.8 -7,-0.2 -2,-0.2 0.902 118.2 39.9 -59.9 -44.6 -32.0 -46.8 -23.9 739 241 C E H X S+ 0 0 40 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.931 112.5 55.2 -70.9 -47.0 -32.9 -49.2 -21.0 740 242 C G H X S+ 0 0 2 -4,-2.9 4,-1.1 -5,-0.2 -360,-0.2 0.873 114.7 40.3 -53.4 -40.9 -31.0 -47.2 -18.4 741 243 C M H X S+ 0 0 0 -4,-2.3 4,-1.8 -362,-0.3 -1,-0.2 0.819 111.9 54.0 -82.4 -33.2 -33.1 -44.1 -19.2 742 244 C A H X S+ 0 0 25 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.929 106.7 54.3 -62.6 -44.4 -36.4 -45.9 -19.7 743 245 C A H <>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 -2,-0.2 0.876 108.3 47.8 -57.6 -43.3 -36.1 -47.4 -16.2 744 246 C F H ><5S+ 0 0 129 -4,-1.1 3,-1.3 -5,-0.2 -1,-0.2 0.908 113.3 48.1 -64.5 -42.5 -35.6 -44.0 -14.6 745 247 C I H 3<5S+ 0 0 79 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.846 112.2 49.6 -65.5 -34.5 -38.6 -42.6 -16.5 746 248 C E T 3<5S- 0 0 113 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.012 109.1-126.1 -94.8 26.5 -40.6 -45.7 -15.5 747 249 C K T < 5S+ 0 0 203 -3,-1.3 -3,-0.2 1,-0.1 2,-0.2 0.691 75.3 111.6 33.7 32.9 -39.5 -45.2 -11.8 748 250 C R S