==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-OCT-00 1G58 . COMPND 2 MOLECULE: 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.-I.LIAO,J.C.CALABRESE,Z.WAWRZAK,P.V.VIITANEN,D.B.JORDAN . 392 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 0 1 1 0 0 5 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 8 0 4 2 2 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 . 2 0 0 0 0 2 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 5 A L >> 0 0 73 0, 0.0 4,-2.9 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -61.9 30.1 13.1 18.8 2 6 A L H >5 + 0 0 111 3,-0.2 4,-1.5 2,-0.2 5,-0.0 0.912 360.0 49.6 -65.3 -42.9 33.7 14.0 19.7 3 7 A S H 45S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.915 118.3 37.4 -63.6 -44.3 34.6 10.5 18.5 4 8 A S H 45S+ 0 0 45 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.817 136.4 9.4 -79.5 -36.9 32.8 10.8 15.2 5 9 A F H <5S- 0 0 25 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.463 99.4-112.8-126.3 -3.3 33.4 14.4 14.2 6 10 A G << - 0 0 11 -4,-1.5 -1,-0.3 -5,-0.5 -2,-0.1 -0.505 53.9 -28.8 104.1-178.3 36.0 16.1 16.6 7 11 A T S > S- 0 0 60 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.345 73.0 -95.5 -70.8 168.2 36.1 18.8 19.2 8 12 A P H > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.909 126.6 46.4 -51.6 -49.0 33.6 21.7 18.8 9 13 A F H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.869 112.7 49.9 -64.4 -35.4 36.0 23.9 17.0 10 14 A E H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.866 107.2 55.1 -70.4 -33.1 37.1 21.1 14.7 11 15 A R H X S+ 0 0 20 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.935 109.8 47.3 -65.1 -42.0 33.4 20.3 14.0 12 16 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.979 115.2 43.7 -62.1 -53.4 32.9 23.9 12.9 13 17 A E H X S+ 0 0 99 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.895 113.2 51.7 -61.8 -39.1 35.9 24.1 10.8 14 18 A N H X S+ 0 0 79 -4,-2.8 4,-2.3 1,-0.2 -1,-0.3 0.846 107.5 53.7 -60.7 -40.8 35.2 20.7 9.3 15 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.887 107.4 50.9 -62.1 -39.3 31.7 21.9 8.5 16 20 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.940 110.3 49.2 -66.6 -40.8 33.0 24.9 6.6 17 21 A A H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 109.8 50.4 -63.4 -43.5 35.3 22.8 4.6 18 22 A A H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.5 0.949 110.7 50.3 -58.0 -49.1 32.6 20.3 3.7 19 23 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.932 112.3 46.0 -55.0 -49.7 30.3 23.2 2.5 20 24 A R H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.817 111.1 54.6 -62.1 -32.8 33.1 24.6 0.4 21 25 A E H 3<5S- 0 0 123 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.451 120.8-106.2 -78.2 -4.9 33.8 21.1 -1.0 22 26 A G T <<5S+ 0 0 35 -3,-1.4 2,-0.2 -4,-0.5 -3,-0.2 0.657 80.8 123.3 88.1 15.2 30.1 20.6 -2.1 23 27 A R < - 0 0 76 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.1 -0.591 59.9-114.6-100.2 166.6 29.2 18.2 0.7 24 28 A G - 0 0 3 156,-0.3 159,-2.2 -2,-0.2 2,-0.4 -0.460 18.8-135.7 -96.8 179.0 26.4 18.8 3.1 25 29 A V E -Ab 36 183A 0 11,-2.0 11,-3.1 157,-0.3 2,-0.5 -0.996 5.2-141.6-131.4 137.1 26.4 19.4 6.8 26 30 A M E -Ab 35 184A 0 157,-2.6 159,-2.4 -2,-0.4 2,-0.6 -0.880 21.0-160.5 -92.5 125.5 24.2 17.9 9.4 27 31 A V E -Ab 34 185A 1 7,-3.0 7,-2.0 -2,-0.5 2,-0.3 -0.931 7.2-158.7-111.9 115.5 23.4 20.7 12.0 28 32 A L E Ab 33 186A 12 157,-2.8 159,-2.3 -2,-0.6 160,-0.3 -0.723 360.0 360.0-101.2 143.7 22.2 19.4 15.4 29 33 A D 0 0 113 3,-1.5 -1,-0.1 -2,-0.3 159,-0.1 0.315 360.0 360.0-115.2 360.0 20.2 21.3 18.0 30 ! 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 31 39 A N 0 0 175 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -52.5 16.2 16.5 19.2 32 40 A E - 0 0 33 2,-0.0 -3,-1.5 135,-0.0 2,-0.4 -0.953 360.0-175.0-135.4 124.5 16.5 17.9 15.7 33 41 A G E -A 28 0A 2 -2,-0.4 127,-2.9 135,-0.4 2,-0.4 -0.949 10.2-162.4-115.1 136.1 19.1 17.5 13.0 34 42 A D E -AC 27 159A 2 -7,-2.0 -7,-3.0 -2,-0.4 2,-0.4 -0.939 16.5-134.7-118.5 136.8 18.9 19.4 9.7 35 43 A M E -AC 26 158A 0 123,-2.4 123,-1.4 -2,-0.4 2,-0.4 -0.731 33.0-166.9 -81.6 132.3 20.7 18.6 6.5 36 44 A I E +AC 25 157A 0 -11,-3.1 -11,-2.0 -2,-0.4 121,-0.2 -0.962 15.3 174.0-131.2 147.6 22.2 21.9 5.1 37 45 A F E - C 0 156A 5 119,-1.9 119,-3.1 -2,-0.4 2,-0.2 -0.967 41.6 -93.7-144.0 156.0 23.7 23.0 1.8 38 46 A P E >> - C 0 155A 0 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.538 31.4-138.0 -71.8 131.0 24.9 26.3 0.2 39 47 A A T 34 S+ 0 0 0 115,-2.1 116,-0.2 -2,-0.2 68,-0.1 0.882 101.2 53.8 -57.8 -35.5 22.0 27.7 -1.7 40 48 A E T 34 S+ 0 0 62 114,-0.4 -1,-0.2 1,-0.2 115,-0.1 0.695 120.4 28.1 -70.6 -24.4 24.4 28.6 -4.6 41 49 A T T <4 S+ 0 0 53 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.497 81.9 128.8-117.1 -6.4 25.9 25.2 -5.0 42 50 A M < - 0 0 0 -4,-2.0 2,-0.2 1,-0.1 -19,-0.0 -0.219 49.0-141.7 -52.1 134.6 23.2 22.8 -3.9 43 51 A T > - 0 0 49 -21,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.582 21.6-111.4 -99.3 166.9 22.6 20.1 -6.6 44 52 A V H > S+ 0 0 53 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.907 120.5 52.6 -55.7 -44.2 19.6 18.4 -7.9 45 53 A E H > S+ 0 0 143 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.892 107.6 50.9 -63.1 -38.8 20.8 15.2 -6.3 46 54 A Q H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 110.0 50.5 -67.6 -35.8 21.2 17.0 -3.0 47 55 A M H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.916 107.9 52.3 -61.6 -43.7 17.7 18.3 -3.3 48 56 A A H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 317,-0.2 0.931 108.8 51.5 -59.1 -44.5 16.4 14.8 -4.1 49 57 A L H X S+ 0 0 34 -4,-2.3 4,-3.3 1,-0.2 5,-0.5 0.908 106.8 52.4 -61.5 -40.3 18.1 13.4 -1.0 50 58 A T H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 6,-0.8 0.878 112.0 46.3 -62.8 -35.5 16.5 16.1 1.2 51 59 A I H < S+ 0 0 3 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.908 118.5 42.0 -73.0 -38.9 13.0 15.2 -0.1 52 60 A R H < S+ 0 0 31 -4,-2.3 -2,-0.2 311,-0.2 -3,-0.2 0.978 131.3 22.1 -73.0 -51.5 13.6 11.5 0.3 53 61 A H H < S+ 0 0 50 -4,-3.3 108,-2.5 -5,-0.2 -3,-0.2 0.561 118.6 63.8 -92.7 -14.2 15.4 11.5 3.7 54 62 A G B < S-G 160 0B 1 -4,-1.5 106,-0.2 -5,-0.5 4,-0.1 -0.335 101.9 -89.6 -99.4-176.7 14.1 14.8 5.1 55 63 A S - 0 0 0 104,-1.3 -4,-0.1 2,-0.2 3,-0.1 0.646 53.3-124.5 -67.4 -16.0 10.7 16.2 6.0 56 64 A G S S+ 0 0 0 -6,-0.8 2,-1.4 1,-0.2 -5,-0.1 0.308 83.2 116.0 82.2 -6.5 10.3 17.4 2.4 57 65 A I - 0 0 0 102,-0.1 2,-0.6 -7,-0.1 102,-0.3 -0.739 54.1-169.7 -91.1 81.5 9.6 20.9 3.8 58 66 A V - 0 0 3 -2,-1.4 65,-1.6 63,-0.3 2,-0.3 -0.741 2.3-157.4 -87.0 118.7 12.8 22.3 2.2 59 67 A C E -dE 123 157A 4 98,-2.9 98,-2.5 -2,-0.6 2,-0.7 -0.782 15.6-146.6-106.7 143.2 13.6 25.8 3.4 60 68 A L E -dE 124 156A 1 63,-1.5 65,-2.6 -2,-0.3 2,-0.4 -0.942 19.0-149.6-107.6 105.4 15.7 28.6 1.9 61 69 A C E +dE 125 155A 0 94,-3.0 94,-1.3 -2,-0.7 2,-0.3 -0.670 27.7 168.0 -77.9 126.7 17.4 30.5 4.7 62 70 A I E -d 126 0A 2 63,-2.6 65,-2.8 -2,-0.4 2,-0.2 -0.835 32.7-110.2-133.7 168.6 17.8 34.2 3.7 63 71 A T > - 0 0 36 90,-0.3 4,-2.7 -2,-0.3 5,-0.2 -0.578 35.1-107.2 -94.2 167.2 18.8 37.5 5.3 64 72 A E H > S+ 0 0 69 63,-0.4 4,-3.2 1,-0.2 5,-0.2 0.902 120.5 56.2 -62.1 -35.2 16.4 40.4 5.9 65 73 A D H > S+ 0 0 111 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.940 107.8 46.6 -61.0 -49.8 18.0 42.3 3.2 66 74 A R H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.922 111.2 53.0 -59.7 -44.9 17.4 39.5 0.7 67 75 A R H X>S+ 0 0 42 -4,-2.7 5,-1.9 2,-0.2 4,-0.7 0.945 111.7 45.7 -54.5 -48.1 13.8 39.3 2.0 68 76 A K H ><5S+ 0 0 110 -4,-3.2 3,-1.4 1,-0.2 -2,-0.2 0.950 109.2 54.8 -60.6 -46.3 13.4 43.0 1.3 69 77 A Q H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.898 113.2 42.3 -52.6 -40.7 15.0 42.8 -2.0 70 78 A L H 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.492 106.4-128.3 -87.6 -1.0 12.5 40.1 -3.1 71 79 A D T <<5 + 0 0 107 -3,-1.4 -3,-0.2 -4,-0.7 -4,-0.1 0.887 50.2 160.4 55.1 46.5 9.6 41.9 -1.5 72 80 A L < - 0 0 0 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.805 28.6-147.4-100.2 112.4 8.6 38.8 0.4 73 81 A P - 0 0 70 0, 0.0 9,-2.6 0, 0.0 2,-0.1 -0.366 28.1 -94.7 -74.0 159.6 6.4 39.5 3.3 74 82 A M B -H 81 0C 53 7,-0.3 7,-0.3 1,-0.1 6,-0.1 -0.446 35.9-122.8 -67.2 142.4 6.4 37.4 6.5 75 83 A M S S+ 0 0 13 5,-2.1 2,-0.4 1,-0.2 6,-0.1 0.869 94.2 24.3 -55.2 -42.9 3.8 34.8 6.3 76 84 A V 0 0 52 4,-0.5 -1,-0.2 1,-0.2 199,-0.0 -0.991 360.0 360.0-127.5 136.3 2.1 35.9 9.5 77 85 A E 0 0 251 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.997 360.0 360.0 -69.8 360.0 2.1 39.4 11.1 78 ! 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 79 94 A G 0 0 42 0, 0.0 47,-2.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 27.7 10.7 32.9 10.5 80 95 A F B -F 125 0A 27 45,-0.2 -5,-2.1 -6,-0.1 -4,-0.5 -0.417 360.0-166.8 -68.0 134.0 8.7 31.8 7.5 81 96 A T B -H 74 0C 0 43,-2.2 -7,-0.3 -7,-0.3 3,-0.1 -0.411 46.6 -63.7 -99.7-173.9 7.9 34.2 4.8 82 97 A V - 0 0 9 -9,-2.6 -1,-0.2 -2,-0.1 2,-0.1 -0.372 68.2-100.9 -66.7 148.2 5.4 33.8 2.1 83 98 A T - 0 0 1 40,-0.1 2,-0.3 37,-0.1 40,-0.2 -0.358 39.5-146.1 -73.2 159.7 6.2 30.8 -0.1 84 99 A I E -I 122 0D 0 38,-2.7 38,-1.7 35,-0.2 37,-0.5 -0.864 20.7-174.9-134.6 160.0 7.8 30.9 -3.5 85 100 A E E -I 117 0D 22 32,-1.8 32,-3.0 -2,-0.3 14,-0.1 -0.994 42.2-100.0-144.0 141.7 8.1 29.5 -7.0 86 101 A A E -I 116 0D 3 -2,-0.3 30,-0.2 12,-0.3 4,-0.2 -0.393 25.3-144.3 -58.0 133.8 10.5 30.4 -9.8 87 102 A A S S+ 0 0 30 28,-2.6 2,-0.3 1,-0.1 -1,-0.2 0.831 85.1 33.9 -71.2 -30.1 8.4 32.6 -12.3 88 103 A E S S+ 0 0 163 27,-0.5 -1,-0.1 1,-0.1 3,-0.1 -0.917 109.6 26.3-124.7 151.8 10.4 31.0 -15.1 89 104 A G S S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.568 92.7 91.9 81.2 11.7 11.8 27.5 -15.8 90 105 A V - 0 0 33 -4,-0.2 -1,-0.3 1,-0.2 -5,-0.0 -0.835 49.0-162.8-128.5 169.9 9.6 25.3 -13.7 91 106 A T S S- 0 0 121 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.507 87.4 -5.8-112.1 -94.2 6.4 23.3 -14.2 92 107 A T S S- 0 0 55 1,-0.1 -2,-0.0 29,-0.0 140,-0.0 0.614 86.7-130.8 -78.9 -12.8 4.6 22.2 -11.0 93 108 A G S S+ 0 0 0 27,-0.1 9,-0.1 1,-0.0 28,-0.1 0.231 84.2 96.8 83.7 -7.3 7.5 23.6 -8.8 94 109 A V + 0 0 1 4,-0.1 5,-0.1 5,-0.1 163,-0.0 0.787 53.1 92.6 -85.3 -34.5 7.6 20.3 -6.8 95 110 A S S > S- 0 0 18 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.238 86.8-111.1 -62.9 162.1 10.4 18.3 -8.5 96 111 A A H > S+ 0 0 1 269,-2.4 4,-2.2 1,-0.2 5,-0.2 0.918 121.0 51.6 -55.2 -45.1 13.9 18.4 -7.1 97 112 A A H > S+ 0 0 45 268,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.900 110.0 47.4 -61.3 -40.6 14.9 20.2 -10.2 98 113 A D H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -12,-0.3 0.874 109.8 52.5 -69.1 -40.8 12.1 22.8 -9.9 99 114 A R H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.916 111.0 48.3 -62.3 -38.3 12.9 23.5 -6.3 100 115 A I H X S+ 0 0 12 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.931 108.8 53.5 -63.9 -46.9 16.5 24.1 -7.2 101 116 A T H X S+ 0 0 49 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.893 110.4 47.1 -56.4 -44.4 15.4 26.4 -10.0 102 117 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.911 111.6 49.9 -64.0 -46.4 13.4 28.4 -7.5 103 118 A V H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.958 111.9 49.1 -56.1 -50.3 16.2 28.6 -4.9 104 119 A R H X S+ 0 0 83 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.860 109.9 51.1 -59.0 -37.9 18.6 29.8 -7.7 105 120 A A H < S+ 0 0 25 -4,-1.8 3,-0.5 -5,-0.3 -1,-0.2 0.940 109.9 50.0 -66.3 -41.7 16.2 32.4 -8.8 106 121 A A H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.841 116.5 39.8 -64.4 -34.6 15.7 33.8 -5.3 107 122 A I H < S+ 0 0 7 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.541 85.5 126.0 -97.0 -7.2 19.4 34.1 -4.5 108 123 A A S >< S- 0 0 36 -4,-1.1 3,-2.2 -3,-0.5 2,-0.3 -0.086 73.1 -99.8 -53.6 147.1 20.6 35.4 -7.9 109 124 A D T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.0 -2,-0.1 -0.557 113.1 15.4 -68.0 130.1 22.5 38.5 -7.9 110 125 A G T 3 S+ 0 0 59 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.636 88.9 170.8 80.3 13.6 20.1 41.2 -8.9 111 126 A A < - 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0 0 1 40,-0.1 2,-0.3 37,-0.1 40,-0.2 -0.299 40.6-146.3 -79.5 161.4 0.2 27.2 7.4 284 99 B I E -S 322 0I 1 38,-2.3 38,-2.0 35,-0.2 37,-0.5 -0.901 20.0-171.3-138.4 158.9 -0.8 25.5 10.6 285 100 B E E -S 317 0I 21 32,-2.1 32,-3.6 -2,-0.3 14,-0.1 -0.987 40.5-104.0-142.1 134.1 0.2 23.6 13.7 286 101 B A E -S 316 0I 3 -2,-0.3 30,-0.3 12,-0.3 4,-0.2 -0.322 28.1-141.1 -54.5 137.6 -2.0 21.9 16.4 287 102 B A S S+ 0 0 26 28,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.722 84.4 32.7 -77.4 -19.0 -1.8 24.3 19.4 288 103 B E S S+ 0 0 164 27,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.989 106.8 34.2-133.0 150.3 -1.7 21.3 21.6 289 104 B G S S+ 0 0 65 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.547 95.5 84.9 96.9 1.0 -0.3 17.7 21.4 290 105 B V - 0 0 33 -4,-0.2 -1,-0.4 1,-0.2 -5,-0.0 -0.823 49.6-164.1-130.1 170.7 2.8 18.4 19.3 291 106 B T S S- 0 0 117 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.477 86.7 -2.5-115.2 -93.0 6.4 19.4 19.7 292 107 B T S S- 0 0 56 1,-0.1 -2,-0.0 29,-0.0 -260,-0.0 0.632 86.3-133.1 -78.9 -13.3 8.2 20.6 16.6 293 108 B G S S+ 0 0 0 27,-0.1 28,-0.1 1,-0.1 9,-0.1 0.227 81.9 94.4 84.6 -10.4 5.2 19.9 14.4 294 109 B V + 0 0 0 4,-0.1 -237,-0.1 5,-0.1 -1,-0.1 0.737 54.7 94.9 -90.7 -28.4 7.3 18.0 11.8 295 110 B S S > S- 0 0 17 1,-0.1 4,-3.3 4,-0.0 5,-0.2 -0.194 85.8-111.4 -64.9 159.5 7.0 14.4 12.7 296 111 B A H > S+ 0 0 0 -131,-2.5 4,-2.1 1,-0.2 5,-0.2 0.910 120.9 50.8 -54.5 -41.7 4.4 12.2 11.1 297 112 B A H > S+ 0 0 44 -132,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.908 110.7 48.8 -67.5 -37.3 2.6 12.0 14.4 298 113 B D H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -12,-0.3 0.942 111.1 49.2 -66.3 -47.4 2.7 15.8 14.8 299 114 B R H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.897 111.7 48.4 -58.3 -42.1 1.3 16.4 11.3 300 115 B I H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.894 109.6 54.1 -64.4 -40.9 -1.5 13.9 11.8 301 116 B T H X S+ 0 0 45 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.933 109.5 47.7 -55.8 -48.8 -2.3 15.6 15.2 302 117 B T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.916 111.2 50.6 -58.6 -46.0 -2.5 19.0 13.4 303 118 B V H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.928 111.4 47.8 -56.6 -48.9 -4.8 17.5 10.7 304 119 B R H X S+ 0 0 112 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.871 110.3 52.4 -63.7 -37.3 -7.1 16.0 13.3 305 120 B A H < S+ 0 0 25 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.898 110.2 48.7 -63.5 -41.6 -7.2 19.3 15.2 306 121 B A H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.1 42.7 -69.6 -32.1 -8.2 21.2 12.1 307 122 B I H < S+ 0 0 10 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.505 83.5 123.1 -95.6 -8.3 -10.9 18.9 11.1 308 123 B A S >< S- 0 0 37 -4,-0.9 3,-2.2 -3,-0.4 2,-0.2 -0.133 73.4-103.4 -54.7 147.8 -12.6 18.3 14.4 309 124 B D T 3 S+ 0 0 137 1,-0.3 -1,-0.1 0, 0.0 -2,-0.1 -0.524 114.5 20.6 -65.4 133.5 -16.2 19.0 14.8 310 125 B G T 3 S+ 0 0 58 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.643 86.8 168.1 82.0 7.8 -16.2 22.2 16.8 311 126 B A < - 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0 0 9 -65,-2.8 -63,-0.3 -2,-0.7 2,-0.2 -0.463 20.9-108.9 -74.0 142.9 -10.8 24.0 -2.6 328 143 B Q > - 0 0 86 -2,-0.2 3,-1.8 1,-0.1 7,-0.2 -0.441 41.6-103.2 -66.6 136.5 -12.8 26.0 -5.2 329 144 B A T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -2,-0.2 11,-0.0 -0.355 108.6 37.7 -59.9 145.4 -16.5 25.8 -4.7 330 145 B G T > S- 0 0 43 4,-0.1 3,-1.3 3,-0.1 4,-0.3 0.309 99.9-135.1 93.0 -10.5 -18.1 23.4 -7.2 331 146 B G G X> - 0 0 5 -3,-1.8 4,-2.7 1,-0.3 3,-1.6 -0.225 69.3 -8.8 64.4-144.6 -15.2 20.9 -7.1 332 147 B V G 34 S+ 0 0 6 8,-0.4 -1,-0.3 1,-0.3 9,-0.1 0.694 129.6 65.5 -65.5 -20.8 -13.7 19.5 -10.2 333 148 B L G <4 S+ 0 0 83 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.763 113.2 35.0 -70.1 -23.1 -16.6 20.9 -12.3 334 149 B T T <4 S+ 0 0 80 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.797 139.0 5.7 -93.3 -44.6 -15.2 24.4 -11.4 335 150 B R < - 0 0 112 -4,-2.7 2,-2.1 -7,-0.2 -1,-0.3 -0.930 61.6-144.1-147.0 117.7 -11.4 23.5 -11.3 336 151 B G + 0 0 42 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 -0.344 55.7 132.9 -81.3 63.2 -9.9 20.3 -12.3 337 152 B G S > S- 0 0 10 -2,-2.1 4,-2.4 -6,-0.1 5,-0.1 -0.686 70.8-114.1-106.8 161.3 -7.2 20.4 -9.6 338 153 B H H > S+ 0 0 22 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.831 116.5 60.4 -63.4 -30.9 -6.1 17.6 -7.2 339 154 B T H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.945 109.1 39.9 -60.2 -46.2 -7.4 19.8 -4.4 340 155 B E H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -8,-0.4 0.883 112.6 56.9 -69.4 -38.4 -10.9 19.8 -5.8 341 156 B A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.910 106.4 51.1 -57.8 -43.5 -10.6 16.1 -6.8 342 157 B T H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.919 111.4 45.3 -59.6 -52.2 -9.8 15.3 -3.1 343 158 B I H X S+ 0 0 15 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.890 112.6 51.9 -61.9 -39.7 -12.8 17.1 -1.8 344 159 B D H X S+ 0 0 15 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.933 110.8 47.0 -63.9 -46.1 -15.1 15.6 -4.4 345 160 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.895 112.1 50.0 -62.5 -41.1 -14.0 12.1 -3.6 346 161 B M H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.5 0.943 113.8 45.4 -63.2 -44.9 -14.3 12.5 0.1 347 162 B T H ><5S+ 0 0 73 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.965 112.9 49.3 -62.8 -52.9 -17.8 13.9 -0.2 348 163 B L H 3<5S+ 0 0 66 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.5 55.1 -56.0 -31.9 -18.9 11.3 -2.6 349 164 B A T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.528 122.0-104.5 -80.0 -7.9 -17.5 8.6 -0.3 350 165 B G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.1 0.511 79.4 122.3 97.8 7.2 -19.6 9.9 2.6 351 166 B F S - 0 0 34 4,-3.6 3,-2.6 -2,-0.4 -310,-0.1 -0.468 32.9-108.0 -80.1 160.2 10.8 9.2 -7.0 363 178 B D T 3 S+ 0 0 94 1,-0.3 -311,-0.2 2,-0.1 -1,-0.1 0.801 119.5 61.0 -55.4 -29.6 13.9 8.8 -4.8 364 179 B D T 3 S- 0 0 97 2,-0.1 -1,-0.3 -312,-0.1 -316,-0.2 0.478 121.5-105.8 -82.7 2.7 15.8 10.6 -7.5 365 180 B G S < S+ 0 0 3 -3,-2.6 -269,-2.4 1,-0.4 -268,-0.3 0.301 80.1 125.5 95.5 -8.9 13.7 13.7 -7.1 366 181 B T - 0 0 42 -271,-0.2 -4,-3.6 -270,-0.1 -1,-0.4 -0.534 69.3-105.3 -79.9 152.6 11.7 13.3 -10.3 367 182 B M B -T 361 0J 27 -6,-0.3 -6,-0.3 -2,-0.2 -1,-0.1 -0.546 48.0 -93.8 -76.6 138.3 7.9 13.3 -10.0 368 183 B A - 0 0 0 -8,-2.3 -135,-0.3 -2,-0.2 -1,-0.1 -0.283 40.0-133.0 -56.8 134.4 6.4 9.9 -10.4 369 184 B R > - 0 0 125 -137,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.325 31.2 -93.2 -81.8 169.6 5.4 9.2 -13.9 370 185 B A H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.916 126.9 44.3 -51.6 -51.9 2.0 7.6 -14.7 371 186 B P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.857 112.1 54.7 -64.5 -31.4 3.3 4.0 -14.7 372 187 B E H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.876 106.8 51.5 -66.1 -34.5 5.2 4.7 -11.5 373 188 B C H X S+ 0 0 0 -4,-2.4 4,-2.7 -3,-0.3 -1,-0.2 0.907 108.5 50.4 -68.2 -43.3 2.0 5.9 -9.9 374 189 B I H X S+ 0 0 12 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.942 110.0 50.5 -56.9 -47.9 0.3 2.7 -10.9 375 190 B E H X S+ 0 0 119 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.944 112.0 46.8 -56.4 -48.8 3.1 0.6 -9.4 376 191 B F H X S+ 0 0 17 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.911 111.6 50.9 -62.7 -43.8 3.0 2.5 -6.1 377 192 B A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.3 0.929 111.9 47.8 -58.8 -47.2 -0.9 2.2 -5.9 378 193 B N H ><5S+ 0 0 91 -4,-2.8 3,-0.8 -5,-0.2 -1,-0.2 0.894 111.7 50.7 -59.6 -42.1 -0.7 -1.5 -6.6 379 194 B K H 3<5S+ 0 0 130 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.877 117.8 37.1 -61.5 -40.9 2.0 -1.9 -3.9 380 195 B H T 3<5S- 0 0 62 -4,-2.1 -156,-0.4 -5,-0.2 -1,-0.2 0.191 111.4-112.1-101.8 15.6 0.1 -0.0 -1.2 381 196 B N T < 5 + 0 0 111 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.890 64.7 150.4 55.9 44.8 -3.4 -1.2 -2.1 382 197 B M < - 0 0 8 -5,-2.7 -157,-0.2 -6,-0.2 -1,-0.2 -0.797 46.5-119.6-105.1 152.8 -4.6 2.1 -3.2 383 198 B A E -l 225 0F 8 -159,-1.8 -157,-3.2 -2,-0.3 2,-0.4 -0.321 26.2-140.9 -78.4 164.5 -7.3 2.7 -5.8 384 199 B L E +l 226 0F 1 -159,-0.2 2,-0.3 -179,-0.2 -157,-0.2 -0.994 28.8 154.2-135.3 129.4 -6.3 4.7 -9.0 385 200 B V E -l 227 0F 1 -159,-2.4 -157,-2.4 -2,-0.4 2,-0.3 -0.977 31.5-127.3-149.3 157.6 -8.4 7.3 -10.8 386 201 B T E > -l 228 0F 21 -2,-0.3 4,-1.8 -159,-0.2 -157,-0.2 -0.763 23.3-121.7-106.2 156.8 -7.8 10.3 -13.0 387 202 B I H > S+ 0 0 5 -159,-2.5 4,-2.3 -2,-0.3 5,-0.2 0.916 115.4 55.8 -57.6 -39.8 -9.2 13.8 -12.6 388 203 B E H > S+ 0 0 155 -160,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.885 103.0 54.3 -59.0 -40.8 -10.8 13.4 -16.0 389 204 B D H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.9 48.5 -57.2 -45.5 -12.7 10.3 -14.9 390 205 B L H X S+ 0 0 2 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.890 109.3 50.7 -64.1 -42.0 -14.0 12.2 -12.0 391 206 B V H X S+ 0 0 30 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.978 112.4 48.2 -60.3 -50.0 -15.1 15.1 -14.1 392 207 B A H X S+ 0 0 37 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.874 110.3 51.1 -59.1 -40.2 -16.9 12.7 -16.4 393 208 B Y H X S+ 0 0 20 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.956 112.0 47.0 -62.2 -47.0 -18.5 11.0 -13.5 394 209 B R H < S+ 0 0 69 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 111.4 50.2 -60.2 -47.8 -19.8 14.2 -12.1 395 210 B Q H < S+ 0 0 132 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.904 110.7 50.5 -58.4 -40.0 -21.1 15.4 -15.3 396 211 B A H < 0 0 63 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.957 360.0 360.0 -58.0 -55.5 -22.9 12.2 -15.8 397 212 B H < 0 0 144 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.810 360.0 360.0 -89.5 360.0 -24.4 12.4 -12.5