==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-NOV-05 2F6L . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.K.KIM,A.J.HOWARD,G.L.GILLILAND,P.T.REDDY,J.E.LADNER . 330 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 0 0 0 0 0 2 2 2 0 0 2 0 2 0 0 1 1 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 34 A D 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.8 0.1 65.9 61.4 2 35 A G + 0 0 40 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.312 360.0 145.9-143.4 119.0 3.0 65.9 62.0 3 36 A T - 0 0 84 1,-0.0 2,-0.2 2,-0.0 131,-0.1 -0.770 44.2-114.6-107.2 144.6 5.6 63.2 61.5 4 37 A S > - 0 0 6 -2,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.501 17.6-131.6 -72.7 142.8 9.3 63.5 60.8 5 38 A Q T 3 S+ 0 0 127 1,-0.2 3,-0.3 -2,-0.2 4,-0.2 0.699 111.3 54.5 -58.9 -23.5 10.4 62.2 57.4 6 39 A L T 3> S+ 0 0 0 124,-0.3 4,-2.7 1,-0.2 5,-0.2 0.300 78.3 99.7 -93.6 7.9 13.2 60.4 59.4 7 40 A A H <> S+ 0 0 14 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.905 80.5 49.9 -62.5 -45.4 10.8 58.7 61.8 8 41 A E H > S+ 0 0 57 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.917 114.1 46.7 -58.7 -42.6 10.9 55.3 60.0 9 42 A L H > S+ 0 0 0 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.953 116.4 43.3 -65.6 -50.0 14.8 55.4 60.0 10 43 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.882 111.5 54.3 -64.1 -37.3 15.0 56.4 63.7 11 44 A D H X S+ 0 0 47 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.911 110.7 46.7 -64.6 -41.3 12.3 53.9 64.7 12 45 A A H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.906 110.9 52.8 -63.8 -43.7 14.3 51.0 63.0 13 46 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 111.7 45.0 -58.8 -44.2 17.4 52.3 64.7 14 47 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.899 112.0 51.6 -68.9 -39.5 15.7 52.2 68.2 15 48 A E H X S+ 0 0 84 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.906 110.0 50.3 -66.5 -36.9 14.2 48.7 67.5 16 49 A R H >< S+ 0 0 15 -4,-2.8 3,-1.0 1,-0.2 4,-0.3 0.888 106.5 55.4 -67.9 -36.2 17.7 47.5 66.5 17 50 A L H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.871 97.6 64.2 -56.1 -37.6 19.1 49.0 69.8 18 51 A E H >< S+ 0 0 60 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.704 84.1 74.2 -68.3 -14.5 16.5 46.9 71.7 19 52 A V T S+ 0 0 0 -3,-2.2 4,-2.5 -4,-0.3 -1,-0.3 0.814 84.3 59.5 -51.5 -34.6 20.9 44.5 73.0 21 54 A D H <> S+ 0 0 51 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.977 108.8 37.3 -70.3 -54.5 18.8 43.0 75.7 22 55 A P H > S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.885 118.6 52.9 -62.7 -35.9 18.4 39.4 74.5 23 56 A V H X S+ 0 0 23 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.940 111.1 44.6 -65.5 -44.5 22.0 39.5 73.2 24 57 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.928 112.1 52.8 -63.1 -42.6 23.4 40.6 76.6 25 58 A A H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.923 112.4 46.3 -59.6 -43.1 21.2 38.0 78.5 26 59 A F H X S+ 0 0 55 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.924 113.5 47.2 -63.3 -47.2 22.6 35.3 76.2 27 60 A K H X>S+ 0 0 14 -4,-2.6 5,-2.6 1,-0.2 4,-0.7 0.873 109.6 54.9 -66.3 -36.9 26.2 36.5 76.6 28 61 A W H ><5S+ 0 0 59 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.958 112.9 40.9 -59.0 -53.3 25.8 36.8 80.4 29 62 A R H 3<5S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 117.1 48.8 -63.7 -39.2 24.7 33.1 80.7 30 63 A A H 3<5S- 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.491 108.8-123.5 -82.9 -2.0 27.2 31.9 78.1 31 64 A Q T <<5 + 0 0 183 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.847 59.2 150.0 56.3 45.1 30.1 33.8 79.8 32 65 A L < - 0 0 81 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.781 47.2-116.6-100.9 146.4 30.9 35.6 76.6 33 66 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.364 18.2-127.5 -73.3 161.6 32.4 39.1 76.5 34 67 A I S S+ 0 0 4 -2,-0.1 2,-0.1 39,-0.0 42,-0.0 0.954 83.8 60.4 -72.6 -54.9 30.5 41.9 75.0 35 68 A E + 0 0 63 38,-0.1 2,-0.1 4,-0.0 0, 0.0 -0.366 44.8 165.5 -80.1 152.6 33.1 43.3 72.6 36 69 A D > - 0 0 78 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.565 14.5-167.5-161.7 102.5 34.9 41.7 69.7 37 70 A S H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.860 89.3 53.5 -62.4 -33.8 36.7 44.0 67.3 38 71 A G H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 110.6 48.0 -67.0 -43.0 37.2 41.4 64.6 39 72 A R H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.926 110.9 49.3 -61.7 -48.4 33.5 40.5 64.6 40 73 A V H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.927 107.6 54.7 -62.7 -39.2 32.4 44.2 64.3 41 74 A E H X S+ 0 0 60 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.924 109.4 48.7 -59.6 -38.7 34.8 44.8 61.5 42 75 A Q H X S+ 0 0 147 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.945 111.2 48.8 -65.2 -44.8 33.2 41.9 59.6 43 76 A Q H X S+ 0 0 78 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.927 113.2 47.7 -61.0 -44.0 29.7 43.2 60.2 44 77 A L H X S+ 0 0 19 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.915 109.1 53.2 -67.6 -41.4 30.6 46.7 59.1 45 78 A A H X S+ 0 0 66 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.915 110.1 48.6 -58.8 -40.5 32.4 45.4 55.9 46 79 A K H X S+ 0 0 53 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.898 109.1 52.2 -68.1 -38.7 29.2 43.4 55.0 47 80 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.883 107.1 53.2 -61.2 -37.9 27.1 46.5 55.6 48 81 A G H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 109.5 49.5 -62.2 -43.1 29.4 48.5 53.2 49 82 A E H X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.925 109.4 49.9 -59.3 -47.4 28.8 45.8 50.6 50 83 A D H X S+ 0 0 77 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.830 109.0 55.0 -60.3 -37.3 25.0 46.0 51.1 51 84 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-1.2 0.955 106.8 48.3 -59.1 -52.5 25.4 49.8 50.7 52 85 A R H ><5S+ 0 0 120 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.852 104.5 62.5 -58.4 -34.2 27.2 49.5 47.3 53 86 A S H 3<5S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.793 111.7 35.4 -62.4 -31.9 24.4 47.1 46.2 54 87 A Q T <<5S- 0 0 47 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.149 117.4-109.5-106.5 19.2 21.8 49.8 46.6 55 88 A H T < 5 + 0 0 171 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.885 69.9 145.6 53.4 44.8 24.1 52.6 45.4 56 89 A I < - 0 0 10 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.1 -0.882 64.6 -93.1-107.3 144.8 24.3 54.2 48.8 57 90 A D > - 0 0 62 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 -0.387 36.3-158.9 -59.1 113.2 27.6 55.8 50.0 58 91 A P H > S+ 0 0 29 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.807 88.0 55.7 -69.6 -28.5 29.4 52.9 51.8 59 92 A D H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 108.9 48.4 -67.2 -40.3 31.6 55.2 53.9 60 93 A Y H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.948 112.3 48.2 -58.3 -54.5 28.6 57.0 55.2 61 94 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.903 109.6 53.8 -57.5 -42.5 26.9 53.7 56.1 62 95 A T H X S+ 0 0 50 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.938 110.1 46.6 -58.4 -45.9 30.1 52.4 57.8 63 96 A R H X S+ 0 0 106 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 113.9 48.0 -60.2 -46.7 30.2 55.5 60.0 64 97 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.940 114.5 44.1 -64.7 -45.4 26.5 55.3 60.9 65 98 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.824 107.7 59.6 -75.3 -24.3 26.6 51.6 61.8 66 99 A D H X S+ 0 0 83 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.954 109.7 43.8 -60.5 -48.9 29.8 52.1 63.7 67 100 A D H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.929 113.8 51.6 -54.1 -50.9 27.8 54.5 65.9 68 101 A Q H X S+ 0 0 0 -4,-2.6 4,-1.9 87,-0.3 -2,-0.2 0.937 111.0 46.2 -58.2 -46.0 24.9 52.1 66.1 69 102 A I H X S+ 0 0 10 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.910 112.2 50.1 -69.7 -40.9 27.0 49.1 67.1 70 103 A R H X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.937 110.3 51.1 -59.7 -40.7 28.8 51.1 69.8 71 104 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.896 110.9 48.8 -64.2 -34.9 25.5 52.4 71.2 72 105 A T H X S+ 0 0 11 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.3 50.2 -72.2 -42.8 24.2 48.7 71.3 73 106 A E H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.871 105.8 58.0 -63.8 -35.6 27.4 47.6 73.1 74 107 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.899 106.3 47.9 -60.5 -41.1 26.9 50.4 75.6 75 108 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.942 111.1 51.3 -63.9 -46.5 23.4 49.0 76.5 76 109 A E H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 109.6 49.6 -57.2 -45.0 24.9 45.5 76.9 77 110 A Y H X S+ 0 0 16 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.879 107.5 54.6 -63.8 -35.2 27.6 46.8 79.2 78 111 A S H X S+ 0 0 22 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.917 109.6 47.8 -64.4 -41.2 25.0 48.7 81.4 79 112 A R H X S+ 0 0 40 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.931 109.1 52.5 -62.5 -49.3 23.1 45.4 81.8 80 113 A F H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 108.6 52.3 -54.6 -38.5 26.3 43.5 82.7 81 114 A S H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.938 111.7 45.3 -61.5 -48.6 26.9 46.3 85.4 82 115 A D H X S+ 0 0 42 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 113.8 48.7 -57.5 -47.1 23.4 45.7 86.8 83 116 A W H < S+ 0 0 14 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 105.5 58.0 -72.4 -27.2 23.7 41.9 86.8 84 117 A K H < S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.912 111.7 41.6 -66.1 -41.2 27.0 42.0 88.5 85 118 A L H < S+ 0 0 12 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.940 135.7 17.9 -68.9 -43.8 25.5 43.9 91.4 86 119 A N >< + 0 0 90 -4,-2.6 3,-2.0 -5,-0.1 -1,-0.3 -0.746 67.0 175.1-131.2 80.5 22.3 41.7 91.4 87 120 A P G > S+ 0 0 61 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.754 77.2 68.7 -62.6 -24.4 23.0 38.5 89.5 88 121 A A G 3 S+ 0 0 95 1,-0.3 -5,-0.1 -5,-0.0 -2,-0.0 0.685 92.6 62.5 -63.5 -19.5 19.5 37.2 90.5 89 122 A S G < S+ 0 0 54 -3,-2.0 -1,-0.3 -6,-0.2 -6,-0.1 0.525 77.3 105.8 -88.0 -8.3 18.1 39.8 88.2 90 123 A A S < S- 0 0 13 -3,-1.6 -10,-0.0 -7,-0.2 -65,-0.0 -0.542 88.4 -97.4 -68.5 132.5 19.7 38.4 85.0 91 124 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 -62,-0.1 -0.323 45.0-132.7 -45.1 120.5 17.2 36.7 82.7 92 125 A P S S- 0 0 102 0, 0.0 -67,-0.0 0, 0.0 -4,-0.0 -0.555 75.2 -0.8 -86.6 151.7 17.5 32.9 83.5 93 126 A E S S- 0 0 179 -2,-0.2 -67,-0.1 1,-0.1 -68,-0.0 0.930 85.0-168.7 43.0 53.3 17.8 30.2 80.7 94 127 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.444 21.5-103.8 -71.7 157.3 17.6 32.8 77.8 95 128 A P - 0 0 105 0, 0.0 -69,-0.1 0, 0.0 -2,-0.0 -0.286 40.6 -88.8 -78.9 168.6 17.1 31.6 74.2 96 129 A D - 0 0 102 1,-0.1 3,-0.4 -70,-0.0 4,-0.3 0.048 41.9-100.3 -67.5-178.2 19.8 31.4 71.5 97 130 A L S > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.351 90.6 100.2 -91.8 7.4 20.6 34.2 69.2 98 131 A S H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 84.3 47.2 -63.3 -44.4 18.8 33.2 66.0 99 132 A A H > S+ 0 0 73 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.924 114.3 49.6 -60.3 -43.1 15.7 35.4 66.4 100 133 A S H > S+ 0 0 16 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.878 109.5 50.6 -61.6 -42.4 18.1 38.3 67.2 101 134 A R H X S+ 0 0 149 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 112.7 46.6 -62.3 -46.3 20.2 37.6 64.1 102 135 A S H X S+ 0 0 78 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.904 112.0 50.8 -62.9 -41.7 17.1 37.6 61.9 103 136 A A H X S+ 0 0 36 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.945 110.6 49.3 -63.0 -45.6 15.8 40.8 63.5 104 137 A I H X S+ 0 0 31 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.900 109.0 51.8 -62.6 -44.5 19.1 42.5 62.9 105 138 A D H X S+ 0 0 101 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.927 113.4 44.6 -55.4 -45.1 19.2 41.5 59.2 106 139 A S H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.914 115.1 47.1 -67.7 -41.3 15.7 42.8 58.7 107 140 A L H X S+ 0 0 13 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.888 108.0 55.8 -71.3 -36.1 16.4 46.1 60.5 108 141 A N H X S+ 0 0 15 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.957 110.6 45.4 -55.5 -48.4 19.7 46.6 58.7 109 142 A N H X S+ 0 0 115 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.902 111.2 52.7 -64.5 -38.4 17.9 46.4 55.4 110 143 A R H X S+ 0 0 34 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.940 110.9 48.5 -61.5 -44.0 15.1 48.7 56.7 111 144 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.922 110.8 48.6 -64.5 -46.4 17.7 51.3 57.7 112 145 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 108.2 55.0 -61.4 -39.6 19.5 51.2 54.4 113 146 A S H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.899 110.8 46.1 -62.1 -35.7 16.2 51.6 52.5 114 147 A Q H X S+ 0 0 39 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.837 108.3 54.8 -74.2 -36.2 15.5 54.8 54.5 115 148 A I H < S+ 0 0 0 -4,-2.2 3,-0.2 2,-0.2 4,-0.2 0.938 111.7 46.2 -60.3 -43.4 19.0 56.2 54.0 116 149 A W H >< S+ 0 0 158 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.958 114.4 45.7 -64.1 -48.1 18.4 55.7 50.3 117 150 A S H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.685 121.2 37.5 -70.6 -22.6 14.9 57.3 50.3 118 151 A H T 3X S+ 0 0 27 -4,-1.8 4,-2.8 -3,-0.2 -1,-0.3 0.064 75.4 121.3-119.7 23.7 15.9 60.3 52.5 119 152 A W H <> S+ 0 0 84 -3,-1.2 4,-1.0 -4,-0.2 5,-0.1 0.904 74.5 53.3 -53.9 -44.3 19.4 61.0 51.2 120 153 A S H >4 S+ 0 0 104 -4,-0.3 3,-0.6 1,-0.2 4,-0.3 0.924 111.9 44.9 -59.9 -44.2 18.5 64.6 50.2 121 154 A L H >4 S+ 0 0 30 1,-0.2 3,-1.6 2,-0.2 6,-0.4 0.913 109.1 55.2 -63.8 -44.8 17.2 65.4 53.7 122 155 A L H 3< S+ 0 0 1 -4,-2.8 39,-2.9 1,-0.3 -1,-0.2 0.682 111.8 46.5 -63.6 -15.1 20.2 63.7 55.4 123 156 A S T << S+ 0 0 47 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.435 102.4 89.4-101.3 -4.9 22.5 66.1 53.2 124 157 A A S X S- 0 0 25 -3,-1.6 3,-1.9 -4,-0.3 4,-0.4 -0.564 85.3-114.8-103.1 159.0 20.5 69.2 54.0 125 158 A P T > S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.803 113.1 62.7 -56.3 -29.5 20.5 71.9 56.6 126 159 A S T 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.574 79.4 89.0 -75.8 -7.7 17.0 70.8 57.9 127 160 A a H <> S+ 0 0 2 -3,-1.9 4,-3.0 -6,-0.4 5,-0.3 0.920 80.5 55.7 -56.0 -45.0 18.4 67.4 58.9 128 161 A A H <> S+ 0 0 57 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.925 112.8 39.7 -60.7 -44.4 19.4 68.4 62.4 129 162 A A H > S+ 0 0 59 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.891 115.3 51.7 -74.8 -36.1 15.9 69.6 63.4 130 163 A Q H X S+ 0 0 60 -4,-2.2 4,-2.5 2,-0.2 -124,-0.3 0.857 110.0 50.0 -71.2 -31.6 14.1 66.8 61.6 131 164 A L H X S+ 0 0 15 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.935 109.3 51.4 -67.5 -42.3 16.3 64.3 63.4 132 165 A D H X S+ 0 0 100 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.921 111.6 47.9 -61.7 -40.8 15.5 66.0 66.7 133 166 A R H X S+ 0 0 95 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.955 112.4 48.5 -62.5 -48.9 11.7 65.7 65.9 134 167 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.910 111.2 50.5 -57.9 -43.7 12.1 62.0 64.9 135 168 A K H X S+ 0 0 35 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.950 110.5 49.4 -61.1 -51.4 14.0 61.3 68.1 136 169 A R H X S+ 0 0 137 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.942 113.2 46.8 -50.0 -47.6 11.3 63.0 70.2 137 170 A D H X S+ 0 0 43 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.893 115.4 43.7 -68.2 -39.8 8.5 61.1 68.5 138 171 A I H X S+ 0 0 10 -4,-2.6 4,-2.7 2,-0.2 6,-0.3 0.864 108.8 56.5 -75.4 -37.5 10.2 57.6 68.8 139 172 A V H <>S+ 0 0 32 -4,-2.7 5,-1.7 -5,-0.2 4,-0.4 0.927 115.3 42.2 -56.0 -41.1 11.4 58.1 72.4 140 173 A R H ><5S+ 0 0 75 -4,-1.9 3,-0.9 -5,-0.3 -2,-0.2 0.975 117.0 44.3 -70.5 -52.0 7.6 58.7 73.0 141 174 A S H 3<5S+ 0 0 87 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.810 122.8 36.2 -66.9 -32.9 6.2 55.9 70.9 142 175 A R T 3<5S- 0 0 66 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.411 103.8-129.9 -96.7 0.1 8.7 53.2 72.0 143 176 A H T < 5 - 0 0 170 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.2 0.920 34.1-165.9 47.8 52.9 8.7 54.6 75.6 144 177 A L < - 0 0 10 -5,-1.7 -1,-0.2 -6,-0.3 -2,-0.0 -0.523 6.9-139.7 -73.7 134.6 12.6 54.7 75.7 145 178 A D > - 0 0 80 -2,-0.2 4,-2.6 1,-0.0 5,-0.2 -0.039 36.4 -81.9 -80.7-178.1 14.2 55.1 79.1 146 179 A S H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.879 128.8 48.0 -55.6 -44.9 17.2 57.3 80.0 147 180 A L H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 114.1 46.2 -65.8 -44.7 19.8 54.6 78.9 148 181 A Y H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.823 109.4 55.8 -69.9 -31.9 18.0 54.0 75.5 149 182 A Q H X S+ 0 0 86 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.934 110.2 44.4 -62.2 -43.2 17.7 57.8 75.0 150 183 A R H X S+ 0 0 101 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.932 114.1 50.7 -66.2 -41.7 21.5 58.3 75.4 151 184 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.907 108.1 51.9 -63.0 -38.6 22.0 55.2 73.1 152 185 A L H X S+ 0 0 1 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.880 109.0 52.1 -67.4 -37.1 19.7 56.6 70.4 153 186 A T H >< S+ 0 0 66 -4,-2.0 3,-0.6 2,-0.2 4,-0.5 0.958 111.8 44.3 -60.9 -51.2 21.6 59.9 70.5 154 187 A T H >< S+ 0 0 10 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.920 112.2 54.1 -58.6 -43.9 24.9 58.1 70.0 155 188 A A H 3< S+ 0 0 0 -4,-2.9 -87,-0.3 1,-0.3 3,-0.2 0.765 115.4 37.8 -61.0 -27.5 23.4 55.8 67.2 156 189 A T T X< S+ 0 0 2 -4,-1.3 3,-1.6 -3,-0.6 4,-0.4 0.294 82.4 107.0-110.5 5.3 22.2 58.8 65.2 157 190 A Q T < S+ 0 0 111 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.637 84.4 42.0 -68.8 -15.7 25.0 61.2 65.7 158 191 A S T 3 S+ 0 0 33 -3,-0.2 -1,-0.3 -4,-0.2 -94,-0.1 0.273 85.7 98.0-110.8 11.3 26.5 60.8 62.1 159 192 A Y S < S+ 0 0 0 -3,-1.6 2,-0.5 -95,-0.1 -2,-0.1 0.919 70.9 68.3 -62.5 -47.1 23.1 60.9 60.3 160 193 A a S S- 0 0 43 -4,-0.4 -37,-0.2 -3,-0.1 -38,-0.1 -0.663 83.5-137.5 -82.2 118.5 23.3 64.6 59.3 161 194 A Q - 0 0 51 -39,-2.9 -34,-0.1 -2,-0.5 2,-0.1 -0.324 25.0 -97.1 -75.8 157.2 26.0 65.3 56.8 162 195 A A - 0 0 99 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.426 40.8-136.2 -72.4 150.7 28.3 68.3 57.0 163 196 A L - 0 0 85 1,-0.1 -39,-0.1 -2,-0.1 -1,-0.1 -0.665 33.0 -77.3-105.6 159.7 27.2 71.2 54.8 164 197 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.282 37.6-137.0 -54.2 137.9 29.3 73.5 52.6 165 198 A P 0 0 143 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.553 360.0 360.0 -81.6 -4.2 31.2 76.0 54.7 166 199 A A 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.890 360.0 360.0-158.3 360.0 30.5 78.9 52.4 167 !* 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 0.0 168 36 B T 0 0 161 0, 0.0 2,-0.2 0, 0.0 131,-0.1 0.000 360.0 360.0 360.0 138.3 29.2 59.2 113.8 169 37 B S > - 0 0 4 129,-0.1 3,-1.5 1,-0.1 4,-0.3 -0.480 360.0-132.7 -72.7 144.3 29.0 55.4 113.1 170 38 B Q T 3 S+ 0 0 45 1,-0.3 4,-0.2 -2,-0.2 3,-0.2 0.651 109.6 56.0 -66.9 -16.7 31.8 53.2 114.4 171 39 B L T 3> S+ 0 0 0 124,-0.3 4,-2.7 1,-0.1 5,-0.3 0.369 77.2 101.4 -95.4 3.3 31.8 51.6 110.9 172 40 B A H <> S+ 0 0 14 -3,-1.5 4,-3.0 1,-0.2 5,-0.2 0.923 80.7 47.7 -52.3 -49.3 32.4 54.9 109.2 173 41 B E H > S+ 0 0 125 -4,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.910 113.7 48.5 -61.9 -40.1 36.2 54.4 108.6 174 42 B L H > S+ 0 0 0 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.950 114.9 43.6 -63.9 -49.0 35.6 50.8 107.3 175 43 B V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.871 112.6 53.9 -64.0 -37.8 32.8 52.0 104.9 176 44 B D H X S+ 0 0 44 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.911 109.0 48.3 -65.6 -39.0 35.0 55.0 103.9 177 45 B A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.902 111.1 50.6 -63.1 -44.2 37.9 52.7 103.0 178 46 B A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.907 111.5 47.7 -60.1 -43.1 35.5 50.5 101.0 179 47 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.898 110.9 51.8 -67.2 -41.7 34.2 53.5 99.1 180 48 B E H X S+ 0 0 62 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.902 110.1 48.8 -58.4 -42.3 37.8 54.7 98.5 181 49 B R H >< S+ 0 0 4 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.844 106.7 56.0 -68.2 -35.8 38.7 51.3 97.1 182 50 B L H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.867 99.1 62.4 -63.2 -35.8 35.5 51.4 94.8 183 51 B E H >< S+ 0 0 66 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.756 88.6 68.8 -62.4 -24.8 36.9 54.7 93.4 184 52 B V T S+ 0 0 0 -3,-1.8 4,-2.9 -4,-0.3 -1,-0.3 0.838 85.4 61.5 -62.0 -31.6 37.6 51.1 89.6 186 54 B D H <> S+ 0 0 25 -3,-1.4 4,-2.9 -4,-0.3 -2,-0.2 0.981 108.4 36.6 -63.8 -59.1 37.8 54.3 87.5 187 55 B P H > S+ 0 0 35 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.793 116.9 54.9 -62.3 -26.3 41.5 54.3 86.8 188 56 B V H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.952 112.0 42.7 -69.2 -48.8 41.4 50.5 86.5 189 57 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.928 112.2 54.7 -59.4 -47.7 38.7 50.7 83.8 190 58 B A H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.898 110.5 45.9 -51.5 -48.1 40.4 53.7 82.1 191 59 B F H X S+ 0 0 57 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.888 113.2 48.5 -61.9 -44.3 43.6 51.6 81.7 192 60 B K H X>S+ 0 0 16 -4,-2.3 5,-2.1 2,-0.2 4,-0.5 0.853 108.8 55.1 -66.1 -32.8 41.7 48.5 80.5 193 61 B W H ><5S+ 0 0 58 -4,-2.5 3,-0.8 3,-0.2 -2,-0.2 0.947 111.7 43.1 -64.8 -48.9 39.8 50.7 78.0 194 62 B R H 3<5S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.6 42.3 -64.6 -46.1 43.1 52.0 76.5 195 63 B A H 3<5S- 0 0 50 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.408 106.5-124.7 -79.9 -1.0 44.9 48.7 76.4 196 64 B Q T <<5 + 0 0 169 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.883 55.6 156.7 52.8 43.2 41.8 46.8 75.2 197 65 B L < - 0 0 74 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.713 45.8-102.1 -93.4 147.9 42.0 44.4 78.1 198 66 B P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.384 15.2-137.4 -65.3 146.1 39.0 42.4 79.4 199 67 B I S S+ 0 0 9 -2,-0.1 42,-0.0 -7,-0.0 43,-0.0 0.951 86.1 70.9 -67.6 -48.3 37.1 43.5 82.5 200 68 B E + 0 0 76 1,-0.1 0, 0.0 38,-0.0 0, 0.0 -0.237 47.8 164.8 -69.7 155.5 36.8 39.9 83.8 201 69 B D > + 0 0 75 2,-0.0 4,-2.4 1,-0.0 5,-0.2 -0.304 3.7 174.8-169.0 69.5 39.8 37.9 85.1 202 70 B S H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 79.0 56.2 -56.9 -44.8 38.5 34.9 87.0 203 71 B G H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.943 111.5 42.6 -47.6 -58.1 41.9 33.5 87.5 204 72 B R H > S+ 0 0 72 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.928 110.9 54.0 -59.7 -49.7 43.2 36.6 89.2 205 73 B V H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.961 110.0 47.6 -52.6 -54.0 40.1 37.2 91.4 206 74 B E H X S+ 0 0 143 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.860 114.4 47.8 -58.2 -35.0 40.3 33.7 92.8 207 75 B Q H >X S+ 0 0 59 -4,-1.9 4,-1.4 -5,-0.2 3,-1.0 0.950 108.3 54.4 -63.9 -53.0 44.0 34.3 93.4 208 76 B Q H 3X S+ 0 0 36 -4,-3.6 4,-1.7 1,-0.3 3,-0.2 0.873 106.7 51.7 -45.1 -46.8 43.4 37.8 95.1 209 77 B L H 3X S+ 0 0 35 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.3 0.771 103.1 60.4 -68.2 -24.9 40.9 36.2 97.5 210 78 B A H S+ 0 0 0 -4,-2.6 5,-3.4 1,-0.2 -1,-0.2 0.910 110.5 49.6 -57.0 -43.9 42.9 36.8 107.8 217 85 B R H ><5S+ 0 0 132 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.909 106.9 53.2 -65.2 -41.1 44.2 33.4 109.0 218 86 B S H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 113.9 43.9 -64.5 -28.1 47.6 34.7 110.2 219 87 B Q T 3<5S- 0 0 67 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.294 116.3-114.5 -97.8 8.7 45.8 37.3 112.3 220 88 B H T < 5 + 0 0 180 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.817 67.9 145.2 56.2 35.1 43.2 34.8 113.6 221 89 B I < - 0 0 9 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.863 65.4 -93.0 -98.3 134.6 40.4 36.6 111.7 222 90 B D > - 0 0 45 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 -0.265 38.0-159.5 -49.5 109.2 37.6 34.3 110.3 223 91 B P H > S+ 0 0 31 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.847 85.0 55.8 -69.1 -33.1 38.7 33.6 106.7 224 92 B D H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 110.1 47.8 -67.3 -36.1 35.4 32.6 105.2 225 93 B Y H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 113.0 47.4 -64.1 -48.3 33.9 35.9 106.4 226 94 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.922 111.4 50.7 -65.6 -42.8 36.8 37.9 105.0 227 95 B T H X S+ 0 0 32 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.926 110.0 50.4 -61.7 -42.0 36.7 36.1 101.7 228 96 B R H X S+ 0 0 92 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.909 111.0 49.1 -59.4 -47.2 32.9 36.7 101.3 229 97 B V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.930 113.3 44.7 -60.6 -48.7 33.3 40.4 102.0 230 98 B F H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.874 108.7 58.0 -70.8 -28.1 36.1 40.9 99.5 231 99 B D H X S+ 0 0 37 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