==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-AUG-04 1X94 . COMPND 2 MOLECULE: PUTATIVE PHOSPHOHEPTOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.SEETHARAMAN,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX RESEARCH . 352 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 2 0 1 0 1 0 1 1 0 1 2 1 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.4 32.9 -12.2 -27.7 2 2 A Y > + 0 0 39 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.130 360.0 61.7-166.8 -25.6 36.2 -11.3 -26.1 3 3 A Q H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.768 93.6 64.7 -82.1 -29.7 35.1 -8.1 -24.5 4 4 A D H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.778 100.8 53.2 -63.5 -23.9 32.6 -10.0 -22.4 5 5 A L H > S+ 0 0 83 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 106.5 50.7 -76.7 -39.7 35.6 -11.6 -20.9 6 6 A I H X S+ 0 0 0 -4,-0.8 4,-1.9 1,-0.2 3,-0.3 0.933 112.5 46.8 -61.8 -46.0 37.0 -8.1 -20.1 7 7 A R H X S+ 0 0 77 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.825 106.6 58.4 -66.4 -31.7 33.8 -7.2 -18.5 8 8 A S H X S+ 0 0 64 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.833 105.8 48.9 -68.0 -32.9 33.6 -10.4 -16.5 9 9 A E H X S+ 0 0 37 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.949 113.5 47.3 -69.4 -47.7 37.0 -9.7 -14.8 10 10 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.938 114.2 44.7 -58.7 -50.7 35.8 -6.2 -13.9 11 11 A T H X S+ 0 0 51 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.844 109.2 58.4 -65.7 -29.5 32.4 -7.3 -12.6 12 12 A E H X S+ 0 0 68 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.891 107.3 46.7 -63.9 -37.1 34.3 -10.1 -10.7 13 13 A A H X S+ 0 0 4 -4,-1.9 4,-2.4 -3,-0.3 -2,-0.2 0.855 108.5 56.4 -70.6 -34.1 36.3 -7.3 -9.0 14 14 A A H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 109.3 46.3 -61.6 -43.1 33.1 -5.5 -8.3 15 15 A D H X S+ 0 0 111 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.942 111.7 49.2 -65.0 -50.8 31.8 -8.6 -6.5 16 16 A V H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.920 113.1 47.7 -57.6 -44.0 34.9 -9.2 -4.5 17 17 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.952 111.7 50.0 -61.4 -50.2 35.0 -5.6 -3.4 18 18 A Q H X S+ 0 0 100 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.921 112.4 47.7 -54.6 -45.7 31.3 -5.6 -2.5 19 19 A K H < S+ 0 0 130 -4,-3.0 3,-0.5 1,-0.2 4,-0.5 0.943 110.3 52.7 -63.1 -44.1 31.8 -8.8 -0.5 20 20 A F H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 6,-0.2 0.904 112.9 42.6 -57.1 -45.2 34.9 -7.3 1.3 21 21 A L H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.646 101.6 70.2 -79.5 -13.8 33.0 -4.2 2.4 22 22 A S T 3< S+ 0 0 67 -4,-1.3 2,-0.6 -3,-0.5 -1,-0.2 0.573 84.5 77.0 -79.0 -10.9 29.9 -6.0 3.4 23 23 A D X> - 0 0 76 -3,-0.8 4,-1.3 -4,-0.5 3,-0.8 -0.907 68.7-155.8-103.2 115.9 31.6 -7.6 6.4 24 24 A D H 3> S+ 0 0 87 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.784 92.0 66.3 -60.3 -26.4 32.0 -5.1 9.3 25 25 A H H 3> S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 98.0 52.0 -61.6 -42.6 34.9 -7.2 10.6 26 26 A N H <> S+ 0 0 12 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.940 111.5 47.2 -57.8 -47.8 36.9 -6.3 7.5 27 27 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.891 111.9 49.8 -62.2 -40.0 36.2 -2.6 8.1 28 28 A A H X S+ 0 0 29 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.875 108.2 54.0 -66.6 -36.2 37.1 -2.9 11.8 29 29 A Q H X S+ 0 0 35 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.899 104.7 54.0 -64.9 -40.1 40.4 -4.6 10.9 30 30 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.915 111.7 45.8 -58.8 -42.4 41.2 -1.7 8.6 31 31 A E H X S+ 0 0 22 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.864 109.9 52.8 -69.1 -37.8 40.7 0.6 11.6 32 32 A A H X S+ 0 0 33 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.772 109.7 51.6 -69.3 -25.0 42.7 -1.6 14.0 33 33 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.932 110.6 43.9 -76.8 -48.9 45.6 -1.5 11.5 34 34 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.836 113.0 55.3 -64.8 -32.1 45.8 2.3 11.1 35 35 A K H X S+ 0 0 95 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.938 106.0 50.9 -65.1 -48.4 45.4 2.6 14.8 36 36 A L H X S+ 0 0 31 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.918 114.3 42.5 -54.4 -51.0 48.4 0.3 15.4 37 37 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.889 112.6 52.9 -65.6 -42.7 50.7 2.3 13.1 38 38 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 109.1 49.6 -61.1 -42.5 49.5 5.6 14.3 39 39 A D H < S+ 0 0 60 -4,-2.6 4,-0.3 2,-0.2 6,-0.2 0.959 110.7 50.8 -60.4 -47.7 50.3 4.6 17.9 40 40 A S H ><>S+ 0 0 6 -4,-2.2 5,-3.2 1,-0.2 3,-1.9 0.922 108.2 52.5 -54.5 -47.8 53.7 3.5 16.7 41 41 A F H ><5S+ 0 0 4 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.904 102.8 58.8 -56.0 -42.8 54.2 6.8 15.0 42 42 A K T 3<5S+ 0 0 129 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.447 108.0 46.0 -70.9 2.7 53.4 8.7 18.2 43 43 A Q T < 5S- 0 0 96 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 -0.014 129.1 -91.8-130.1 26.0 56.2 6.9 20.0 44 44 A G T < 5S+ 0 0 60 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.592 79.7 147.4 74.5 14.1 58.8 7.4 17.3 45 45 A G < - 0 0 2 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.121 32.2-152.4 -77.1 174.8 58.1 4.2 15.5 46 46 A K - 0 0 38 50,-0.2 54,-2.4 34,-0.0 2,-0.5 -0.940 14.5-119.1-142.5 162.4 58.2 3.3 11.9 47 47 A V E -ab 79 100A 0 31,-2.8 33,-3.0 -2,-0.3 2,-0.6 -0.906 15.5-160.9-109.9 131.0 56.6 0.8 9.5 48 48 A L E -ab 80 101A 0 52,-3.1 54,-3.4 -2,-0.5 2,-0.3 -0.952 17.6-167.4-109.0 118.8 58.5 -1.9 7.6 49 49 A S E +ab 81 102A 0 31,-2.3 33,-1.4 -2,-0.6 2,-0.3 -0.761 10.7 169.7-109.8 156.8 56.5 -3.2 4.6 50 50 A C E + b 0 103A 1 52,-1.7 54,-2.2 -2,-0.3 2,-0.3 -0.965 7.9 152.5-164.2 146.8 57.0 -6.2 2.4 51 51 A G - 0 0 3 -2,-0.3 2,-0.6 31,-0.2 54,-0.1 -0.940 40.3-108.0-160.8 173.4 55.4 -8.4 -0.3 52 52 A N S S- 0 0 68 52,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.809 75.1 -41.1-121.9 95.8 56.5 -10.6 -3.3 53 53 A G S S+ 0 0 39 -2,-0.6 2,-2.2 1,-0.2 -1,-0.3 0.652 136.6 20.0 62.2 128.9 55.9 -9.2 -6.8 54 54 A G S > S+ 0 0 1 1,-0.2 4,-0.6 181,-0.1 -1,-0.2 -0.045 131.9 51.9 72.8 -41.3 52.6 -7.4 -7.4 55 55 A S H > S+ 0 0 8 -2,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.511 94.1 71.0 -99.0 -10.6 52.7 -7.1 -3.7 56 56 A H H > S+ 0 0 74 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.892 99.9 47.2 -70.0 -38.5 56.2 -5.7 -3.8 57 57 A C H > S+ 0 0 9 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.876 109.9 51.5 -69.0 -40.5 54.7 -2.5 -5.3 58 58 A D H X S+ 0 0 0 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.940 110.9 48.2 -62.0 -46.8 52.0 -2.3 -2.7 59 59 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.878 115.8 46.8 -59.3 -35.8 54.6 -2.6 -0.0 60 60 A M H X S+ 0 0 50 -4,-1.6 4,-2.1 2,-0.2 5,-0.3 0.894 111.0 49.6 -72.5 -43.9 56.5 0.1 -1.9 61 61 A H H X S+ 0 0 7 -4,-3.7 4,-2.8 1,-0.2 5,-0.2 0.958 110.6 50.4 -58.6 -54.2 53.5 2.4 -2.4 62 62 A F H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.891 112.1 46.2 -51.7 -49.7 52.5 2.2 1.3 63 63 A A H X S+ 0 0 4 -4,-1.5 4,-2.3 -5,-0.2 3,-0.3 0.946 117.6 40.2 -63.7 -51.9 56.0 3.0 2.6 64 64 A E H X S+ 0 0 66 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.838 113.7 55.7 -68.7 -29.5 56.7 6.0 0.3 65 65 A E H X S+ 0 0 35 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.2 0.792 109.8 48.3 -70.8 -27.0 53.2 7.2 0.7 66 66 A L H X S+ 0 0 0 -4,-1.3 4,-1.5 -3,-0.3 -2,-0.2 0.905 108.1 51.3 -78.9 -44.5 53.8 7.2 4.4 67 67 A T H X S+ 0 0 20 -4,-2.3 4,-0.6 1,-0.2 3,-0.2 0.904 107.7 54.0 -61.1 -41.5 57.1 9.1 4.4 68 68 A G H < S+ 0 0 45 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.901 113.9 39.9 -60.1 -42.0 55.7 11.8 2.2 69 69 A R H < S+ 0 0 68 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.646 126.8 31.2 -83.9 -17.0 52.8 12.6 4.6 70 70 A Y H < S+ 0 0 12 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.045 86.5 96.6-131.8 28.0 54.6 12.2 7.9 71 71 A R >< + 0 0 155 -4,-0.6 3,-2.0 -3,-0.4 -3,-0.1 0.820 57.2 107.8 -82.7 -35.0 58.2 13.3 7.2 72 72 A E T 3 S- 0 0 115 -4,-0.3 -4,-0.0 1,-0.3 -3,-0.0 -0.233 101.8 -16.4 -51.4 115.3 57.4 16.8 8.5 73 73 A N T 3 S+ 0 0 168 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.783 109.8 115.5 56.6 33.0 59.1 17.4 11.9 74 74 A R < - 0 0 54 -3,-2.0 -1,-0.2 2,-0.1 -4,-0.0 -0.994 63.8-129.4-131.0 123.0 59.7 13.7 12.4 75 75 A P S S+ 0 0 115 0, 0.0 -3,-0.0 0, 0.0 2,-0.0 -0.346 72.2 1.2 -69.3 155.4 63.2 12.2 12.5 76 76 A G S S- 0 0 56 1,-0.1 -2,-0.1 2,-0.0 -30,-0.0 -0.283 106.8 -46.4 70.1-154.3 64.0 9.2 10.3 77 77 A Y - 0 0 147 1,-0.1 -30,-0.1 -2,-0.0 3,-0.1 -0.977 33.3-151.1-122.6 126.7 61.5 7.7 7.9 78 78 A P S S+ 0 0 0 0, 0.0 -31,-2.8 0, 0.0 2,-0.4 0.883 86.5 26.2 -61.2 -36.6 57.9 6.8 8.8 79 79 A G E -a 47 0A 6 -16,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.986 61.2-178.8-136.7 136.5 57.9 4.0 6.3 80 80 A I E -a 48 0A 42 -33,-3.0 -31,-2.3 -2,-0.4 2,-0.2 -0.993 12.4-153.8-133.5 129.8 60.4 1.7 4.7 81 81 A A E a 49 0A 23 -2,-0.4 -31,-0.2 -33,-0.2 -21,-0.1 -0.656 360.0 360.0 -95.5 155.4 59.9 -1.0 2.1 82 82 A I 0 0 43 -33,-1.4 -31,-0.2 -2,-0.2 5,-0.1 -0.803 360.0 360.0-101.2 360.0 62.2 -4.0 1.8 83 ! 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 84 98 A D 0 0 112 0, 0.0 31,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -9.5 63.5 -17.0 2.3 85 99 A Y > + 0 0 143 2,-0.1 4,-2.2 3,-0.1 5,-0.2 0.113 360.0 102.5-125.5 15.2 65.2 -15.0 5.0 86 100 A V H > S+ 0 0 96 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.968 88.7 37.9 -65.5 -52.3 65.6 -11.8 3.1 87 101 A F H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 117.5 50.7 -67.1 -39.6 62.7 -10.0 4.8 88 102 A S H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 107.4 53.5 -65.8 -39.2 63.4 -11.5 8.3 89 103 A R H X S+ 0 0 175 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.830 108.7 51.0 -63.8 -32.2 67.1 -10.5 8.1 90 104 A Y H X>S+ 0 0 92 -4,-1.3 4,-2.6 2,-0.2 5,-0.6 0.899 106.9 52.2 -73.0 -40.1 66.0 -7.0 7.4 91 105 A V H X5S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.932 109.7 50.7 -60.2 -44.8 63.6 -6.9 10.4 92 106 A E H <5S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 115.6 42.2 -61.5 -37.0 66.5 -8.1 12.6 93 107 A A H <5S+ 0 0 84 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.928 131.9 13.7 -79.2 -49.3 68.8 -5.4 11.4 94 108 A V H <5S+ 0 0 55 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.579 101.2 101.1-107.4 -10.7 66.8 -2.2 11.2 95 109 A G << - 0 0 9 -4,-1.7 2,-0.3 -5,-0.6 -48,-0.0 -0.412 48.1-173.7 -76.9 152.5 63.6 -3.0 13.1 96 110 A A > - 0 0 49 -50,-0.1 3,-2.4 -2,-0.1 -50,-0.2 -0.978 36.4 -72.5-145.1 156.6 63.1 -1.9 16.7 97 111 A K T 3 S+ 0 0 164 -2,-0.3 28,-0.2 1,-0.3 27,-0.2 -0.095 119.7 24.6 -44.2 137.3 60.6 -2.4 19.6 98 112 A G T 3 S+ 0 0 26 26,-2.1 -1,-0.3 1,-0.3 27,-0.1 0.343 94.9 124.6 85.4 -10.0 57.4 -0.5 18.9 99 113 A D < - 0 0 5 -3,-2.4 27,-1.7 -54,-0.1 2,-0.4 -0.279 56.2-127.9 -75.4 169.4 57.9 -0.7 15.1 100 114 A V E -bc 47 126A 2 -54,-2.4 -52,-3.1 25,-0.2 2,-0.5 -0.985 6.6-149.2-127.7 133.6 55.3 -2.2 12.9 101 115 A L E -bc 48 127A 0 25,-2.3 27,-3.1 -2,-0.4 2,-0.6 -0.879 12.5-164.7 -97.7 123.6 55.7 -5.0 10.2 102 116 A F E -bc 49 128A 0 -54,-3.4 -52,-1.7 -2,-0.5 2,-0.4 -0.933 14.5-177.2-112.4 108.6 53.2 -4.6 7.3 103 117 A G E -bc 50 129A 1 25,-3.2 27,-2.9 -2,-0.6 2,-0.4 -0.903 14.5-164.5-117.1 139.7 53.0 -7.7 5.3 104 118 A L E + c 0 130A 1 -54,-2.2 -52,-0.4 -2,-0.4 2,-0.3 -0.959 19.1 153.9-121.0 128.1 51.1 -8.6 2.1 105 119 A S E - c 0 131A 2 25,-2.4 27,-0.6 -2,-0.4 30,-0.1 -0.806 32.1-152.0-153.8 106.5 50.5 -12.1 0.8 106 120 A T S S+ 0 0 32 -2,-0.3 29,-0.2 1,-0.2 26,-0.2 0.829 103.7 32.7 -49.3 -34.4 47.5 -13.0 -1.4 107 121 A S S S- 0 0 28 24,-0.1 27,-0.3 26,-0.1 -1,-0.2 0.761 99.4-132.3 -94.3 -27.9 47.7 -16.6 -0.1 108 122 A G S S+ 0 0 0 28,-0.2 30,-1.9 22,-0.2 29,-0.3 0.488 86.2 93.2 87.6 4.1 48.9 -15.9 3.4 109 123 A N + 0 0 62 27,-0.2 2,-0.7 28,-0.2 27,-0.1 0.076 42.9 140.2-115.9 20.9 51.5 -18.6 3.1 110 124 A S > - 0 0 29 1,-0.2 4,-2.2 2,-0.1 3,-0.5 -0.578 42.3-151.6 -71.5 112.1 54.5 -16.6 1.8 111 125 A G H > S+ 0 0 24 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.868 90.7 51.0 -49.6 -50.5 57.6 -18.1 3.6 112 126 A N H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 112.9 46.2 -61.4 -34.4 59.7 -15.0 3.7 113 127 A I H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.850 110.2 54.4 -76.8 -30.9 56.9 -12.9 5.1 114 128 A L H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.935 111.1 45.2 -64.7 -44.9 56.2 -15.6 7.7 115 129 A K H X S+ 0 0 64 -4,-2.7 4,-2.4 -31,-0.2 5,-0.3 0.966 110.4 55.0 -61.2 -49.2 59.9 -15.4 8.7 116 130 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.874 107.1 50.8 -50.6 -41.2 59.6 -11.6 8.7 117 131 A I H X S+ 0 0 5 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.920 108.6 50.8 -64.2 -44.7 56.6 -11.9 11.1 118 132 A E H X S+ 0 0 111 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.925 111.3 47.1 -60.2 -46.7 58.5 -14.2 13.5 119 133 A A H X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.898 109.1 56.9 -61.2 -40.3 61.5 -11.9 13.7 120 134 A A H >X>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.3 4,-0.7 0.941 108.0 45.8 -56.0 -50.6 59.1 -9.0 14.2 121 135 A K H ><5S+ 0 0 85 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.970 110.0 53.8 -57.1 -53.5 57.6 -10.7 17.3 122 136 A A H 3<5S+ 0 0 85 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.737 109.2 51.2 -53.7 -23.6 61.1 -11.5 18.6 123 137 A K H <<5S- 0 0 67 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.567 119.8-109.1 -90.4 -11.2 61.8 -7.8 18.2 124 138 A G T <<5S+ 0 0 35 -3,-2.5 -26,-2.1 -4,-0.7 2,-0.4 0.842 70.8 147.7 83.9 33.5 58.8 -6.7 20.1 125 139 A M < - 0 0 8 -5,-2.7 -1,-0.3 -28,-0.2 -25,-0.2 -0.844 47.8-127.0-106.2 140.6 57.2 -5.4 16.9 126 140 A K E -c 100 0A 106 -27,-1.7 -25,-2.3 -2,-0.4 2,-0.4 -0.494 28.9-143.9 -78.3 156.0 53.5 -5.4 16.2 127 141 A T E -c 101 0A 1 -27,-0.2 16,-1.7 -2,-0.1 17,-1.3 -0.982 17.7-172.2-133.1 139.0 52.4 -7.1 12.9 128 142 A I E -cd 102 144A 2 -27,-3.1 -25,-3.2 -2,-0.4 2,-0.4 -0.979 9.1-169.4-124.7 136.9 49.8 -6.4 10.3 129 143 A A E -cd 103 145A 0 15,-2.2 17,-2.9 -2,-0.4 2,-0.7 -0.976 13.9-158.5-134.7 123.6 49.0 -8.8 7.4 130 144 A L E +cd 104 146A 0 -27,-2.9 -25,-2.4 -2,-0.4 17,-0.2 -0.881 36.1 159.3 -98.1 114.4 46.8 -8.2 4.3 131 145 A T E -cd 105 147A 0 15,-2.3 17,-2.5 -2,-0.7 2,-0.3 -0.501 25.5-155.7-123.8-170.1 45.9 -11.7 3.0 132 146 A G E > + d 0 148A 0 -27,-0.6 3,-2.3 15,-0.3 2,-0.2 -0.863 57.5 33.3-153.3-172.9 43.4 -13.5 0.9 133 147 A K T 3 S- 0 0 65 17,-1.7 17,-0.2 15,-0.5 18,-0.1 -0.382 128.8 -19.4 60.2-123.0 41.9 -17.0 0.3 134 148 A D T 3 S- 0 0 92 -27,-0.3 -1,-0.3 -2,-0.2 -27,-0.1 0.347 96.1 -99.7 -98.2 3.3 41.7 -18.7 3.7 135 149 A G X> - 0 0 0 -3,-2.3 4,-1.0 -29,-0.2 3,-0.5 0.279 51.2-141.6 96.1 -11.2 44.2 -16.5 5.4 136 150 A G G >4 - 0 0 18 1,-0.2 3,-0.9 2,-0.2 -27,-0.2 -0.037 56.2 -39.1 49.9-155.0 46.9 -19.2 5.0 137 151 A K G 34 S+ 0 0 120 -29,-0.3 -1,-0.2 1,-0.2 -28,-0.2 0.676 131.7 75.5 -74.9 -17.1 49.4 -19.6 7.8 138 152 A M G X> S+ 0 0 0 -30,-1.9 4,-1.7 -3,-0.5 3,-1.6 0.715 73.9 94.6 -67.3 -21.2 49.4 -15.8 8.3 139 153 A A T << S+ 0 0 31 -4,-1.0 -5,-0.0 -3,-0.9 -4,-0.0 -0.571 93.6 19.0 -73.3 132.4 46.0 -16.0 10.0 140 154 A G T 34 S+ 0 0 78 -2,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.396 117.7 73.1 87.3 -5.0 46.4 -16.3 13.7 141 155 A L T <4 S+ 0 0 63 -3,-1.6 -2,-0.2 -12,-0.0 -3,-0.1 0.777 78.9 71.3-107.1 -43.8 50.0 -14.9 13.5 142 156 A A S < S- 0 0 15 -4,-1.7 -2,-0.2 1,-0.1 3,-0.2 -0.408 79.8-129.1 -73.8 153.5 49.5 -11.2 12.7 143 157 A D S S+ 0 0 77 -16,-1.7 2,-0.3 1,-0.3 -15,-0.2 0.788 102.1 18.4 -70.6 -26.8 48.3 -8.9 15.4 144 158 A V E S-d 128 0A 12 -17,-1.3 -15,-2.2 2,-0.0 2,-0.4 -0.972 76.3-164.1-144.6 123.5 45.7 -7.7 12.9 145 159 A E E -d 129 0A 31 -2,-0.3 2,-0.6 -3,-0.2 -15,-0.2 -0.924 6.1-166.4-113.9 137.4 44.8 -9.6 9.7 146 160 A I E -d 130 0A 0 -17,-2.9 -15,-2.3 -2,-0.4 2,-0.5 -0.922 17.4-171.7-122.7 101.8 42.9 -8.1 6.8 147 161 A R E -d 131 0A 80 -2,-0.6 -15,-0.3 -17,-0.2 -17,-0.1 -0.850 20.7-138.3-104.0 127.3 41.7 -10.9 4.6 148 162 A V E -d 132 0A 0 -17,-2.5 2,-2.3 -2,-0.5 -15,-0.5 -0.698 26.3-125.9 -79.8 123.6 40.1 -10.4 1.1 149 163 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.408 71.6 105.6 -72.5 72.4 37.2 -12.8 0.9 150 164 A H - 0 0 38 -2,-2.3 -17,-1.7 -17,-0.2 2,-0.8 -0.910 51.9-159.0-158.0 126.0 38.2 -14.5 -2.3 151 165 A F + 0 0 141 -2,-0.3 2,-0.3 -19,-0.1 3,-0.1 -0.874 62.8 68.6-105.5 99.1 39.7 -17.9 -3.2 152 166 A G S S- 0 0 28 -2,-0.8 -2,-0.1 1,-0.2 5,-0.0 -0.916 86.7 -19.0-178.9-159.5 41.3 -17.6 -6.6 153 167 A Y > - 0 0 140 -2,-0.3 4,-0.5 1,-0.1 3,-0.3 -0.006 66.4-103.6 -61.7 172.5 44.2 -16.0 -8.4 154 168 A A H >> S+ 0 0 21 1,-0.2 4,-2.6 2,-0.1 3,-1.2 0.880 101.6 80.2 -67.7 -41.5 46.1 -13.0 -7.0 155 169 A D H 3> S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.800 94.2 44.7 -34.3 -57.2 44.6 -10.3 -9.2 156 170 A R H 3> S+ 0 0 7 -3,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.832 118.3 44.3 -63.6 -33.1 41.3 -9.8 -7.3 157 171 A I H XX S+ 0 0 0 -3,-1.2 4,-2.7 -4,-0.5 3,-1.4 0.948 111.4 50.1 -76.3 -51.0 43.1 -9.8 -3.9 158 172 A Q H 3X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.3 5,-0.2 0.887 107.3 59.0 -51.7 -42.3 46.0 -7.6 -4.8 159 173 A E H 3X S+ 0 0 2 -4,-2.1 4,-0.6 -5,-0.4 -1,-0.3 0.763 110.5 39.8 -60.1 -29.7 43.4 -5.2 -6.2 160 174 A V H < S+ 0 0 114 -4,-1.4 3,-0.9 1,-0.2 -2,-0.2 0.884 114.1 61.2 -78.3 -39.1 42.8 11.1 11.2 175 189 A E H 3< S+ 0 0 28 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.549 119.7 30.5 -65.3 -3.9 43.7 8.3 13.5 176 190 A M T 3< 0 0 40 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 -0.422 360.0 360.0-155.4 67.0 46.5 10.6 14.7 177 191 A A < 0 0 146 -3,-0.9 -3,-0.0 0, 0.0 -4,-0.0 -0.951 360.0 360.0-150.2 360.0 45.5 14.2 14.4 178 !* 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 0.0 179 1 B M 0 0 142 0, 0.0 3,-0.1 0, 0.0 -151,-0.1 0.000 360.0 360.0 360.0 154.7 35.1 3.8 15.1 180 2 B Y > + 0 0 53 -153,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.128 360.0 138.5-132.9 35.2 35.1 4.9 11.5 181 3 B Q H > S+ 0 0 39 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.928 75.9 43.7 -46.7 -59.3 33.0 2.1 9.9 182 4 B D H > S+ 0 0 123 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 114.7 48.2 -57.9 -45.6 31.0 4.5 7.6 183 5 B L H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.953 115.6 45.3 -61.4 -47.4 34.0 6.6 6.6 184 6 B I H X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.2 3,-0.2 0.919 114.5 47.7 -62.1 -44.5 36.1 3.5 5.8 185 7 B R H X S+ 0 0 53 -4,-3.2 4,-3.3 -5,-0.3 5,-0.2 0.880 105.0 61.6 -64.8 -35.7 33.2 1.8 4.0 186 8 B S H X S+ 0 0 55 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.877 101.8 50.1 -59.0 -40.1 32.6 5.1 2.0 187 9 B E H X S+ 0 0 47 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.936 114.0 47.5 -61.8 -43.4 36.0 4.9 0.4 188 10 B L H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.907 112.5 46.9 -64.8 -43.5 35.2 1.3 -0.5 189 11 B T H X S+ 0 0 63 -4,-3.3 4,-2.4 2,-0.2 -1,-0.2 0.886 109.5 55.1 -68.0 -34.4 31.8 2.2 -1.9 190 12 B E H X S+ 0 0 74 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.926 106.3 50.8 -61.8 -42.5 33.4 5.1 -3.8 191 13 B A H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.881 110.1 51.9 -59.6 -37.2 35.8 2.6 -5.4 192 14 B A H X S+ 0 0 26 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.908 109.5 47.8 -65.7 -43.5 32.7 0.6 -6.3 193 15 B D H X S+ 0 0 86 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.946 112.9 48.2 -63.1 -48.4 31.0 3.5 -7.9 194 16 B V H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.936 111.8 49.5 -57.7 -48.0 34.1 4.4 -9.9 195 17 B L H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.865 110.0 52.4 -59.9 -39.1 34.5 0.8 -11.1 196 18 B Q H X S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.945 107.9 48.7 -61.9 -52.3 30.9 0.6 -12.1 197 19 B K H X S+ 0 0 84 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.834 112.0 53.3 -58.6 -31.9 31.0 3.7 -14.2 198 20 B F H < S+ 0 0 0 -4,-1.7 3,-0.4 -5,-0.2 6,-0.2 0.955 113.8 36.6 -70.6 -50.7 34.1 2.3 -15.8 199 21 B L H < S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.708 107.7 64.9 -76.7 -22.4 32.8 -1.1 -16.9 200 22 B S H < S+ 0 0 67 -4,-2.2 2,-0.7 -5,-0.2 -1,-0.2 0.780 88.2 80.8 -71.7 -25.3 29.3 0.1 -17.8 201 23 B D X - 0 0 71 -4,-0.7 4,-1.1 -3,-0.4 3,-0.3 -0.741 69.4-156.7 -86.3 118.1 30.8 2.1 -20.6 202 24 B D H > S+ 0 0 113 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 0.767 86.7 69.0 -63.3 -27.7 31.6 -0.0 -23.7 203 25 B H H >> S+ 0 0 108 1,-0.2 4,-2.7 2,-0.2 3,-0.5 0.961 99.1 46.4 -57.5 -53.5 34.2 2.4 -24.9 204 26 B N H 3> S+ 0 0 12 -3,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.861 110.4 54.6 -57.1 -38.4 36.6 1.6 -22.1 205 27 B I H 3X S+ 0 0 6 -4,-1.1 4,-1.1 1,-0.2 -1,-0.3 0.858 111.2 45.7 -63.2 -35.5 36.1 -2.1 -22.6 206 28 B A H <>S+ 0 0 1 -4,-2.8 5,-1.6 1,-0.2 3,-1.0 0.931 111.9 47.5 -55.3 -47.4 54.3 -5.7 -31.4 219 41 B F H ><5S+ 0 0 6 -4,-2.8 3,-2.6 1,-0.3 -1,-0.2 0.925 106.2 57.2 -60.2 -44.4 55.4 -8.9 -29.6 220 42 B K H 3<5S+ 0 0 118 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.698 109.0 47.5 -60.3 -19.1 54.5 -11.0 -32.7 221 43 B Q T <<5S- 0 0 100 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.072 125.3-105.0-107.6 19.7 56.9 -8.8 -34.6 222 44 B G T < 5S+ 0 0 51 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.168 75.7 135.8 81.0 -17.9 59.6 -9.1 -31.9 223 45 B G < - 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