==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUL-06 2IYS . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.D.HARTMANN,G.P.BOURENKOV,A.OBERSCHALL,N.STRIZHOV, . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 9.7 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 . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 1 2 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 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 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 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 A 0 0 60 0, 0.0 67,-0.1 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 147.9 12.2 13.4 12.6 2 3 A P - 0 0 8 0, 0.0 93,-0.5 0, 0.0 71,-0.2 -0.206 360.0-139.3 -58.6 142.1 12.8 11.2 15.6 3 4 A K S S- 0 0 103 70,-1.6 2,-0.3 69,-0.5 71,-0.2 0.858 93.2 -0.2 -60.9 -36.1 12.0 7.5 15.6 4 5 A A E -a 74 0A 0 69,-1.3 71,-2.6 92,-0.0 2,-0.5 -0.950 59.4-152.2-155.4 137.9 10.8 8.2 19.2 5 6 A V E -ab 75 96A 0 90,-2.4 92,-2.9 -2,-0.3 2,-0.5 -0.961 26.0-147.9-104.5 122.3 10.6 11.1 21.5 6 7 A L E +ab 76 97A 0 69,-3.0 71,-2.4 -2,-0.5 2,-0.3 -0.806 20.2 174.2 -99.6 131.6 10.7 9.9 25.2 7 8 A V E + b 0 98A 0 90,-2.6 92,-2.6 -2,-0.5 2,-0.3 -0.942 17.3 110.4-130.5 146.6 8.9 11.6 28.0 8 9 A G - 0 0 1 -2,-0.3 92,-0.1 69,-0.3 3,-0.1 -0.876 55.8 -77.1 168.6 175.5 8.4 10.8 31.7 9 10 A L > - 0 0 5 90,-0.5 3,-2.3 -2,-0.3 5,-0.4 -0.439 59.2 -80.4 -83.5 163.1 9.2 11.6 35.2 10 11 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 -0.339 123.0 38.4 -56.1 138.7 12.4 10.9 37.2 11 12 A G T 3 S+ 0 0 18 98,-0.2 98,-0.1 -3,-0.1 -2,-0.0 0.222 86.9 100.2 97.5 -15.2 12.2 7.3 38.2 12 13 A S S < S- 0 0 3 -3,-2.3 -5,-0.0 89,-0.1 94,-0.0 0.612 96.3-115.7 -78.9 -10.3 10.5 6.2 34.9 13 14 A G > + 0 0 30 -4,-0.2 4,-3.1 3,-0.0 5,-0.3 0.592 63.4 151.4 87.8 14.6 13.9 4.9 33.7 14 15 A K H > + 0 0 32 -5,-0.4 4,-2.4 1,-0.2 5,-0.2 0.847 67.0 46.3 -50.0 -46.3 13.9 7.5 30.9 15 16 A S H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 117.6 41.4 -61.7 -50.0 17.8 7.7 30.6 16 17 A T H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 116.3 49.6 -66.7 -43.7 18.4 4.0 30.6 17 18 A I H X S+ 0 0 4 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.917 109.4 52.2 -61.5 -45.3 15.5 3.3 28.3 18 19 A G H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.938 112.5 44.5 -56.8 -49.3 16.6 5.9 25.9 19 20 A R H X S+ 0 0 127 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.916 116.2 46.4 -61.3 -45.2 20.1 4.5 25.6 20 21 A R H X S+ 0 0 112 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.873 113.3 48.5 -66.7 -41.2 18.9 0.9 25.3 21 22 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.921 112.5 48.7 -64.5 -43.8 16.2 1.8 22.7 22 23 A A H X>S+ 0 0 6 -4,-2.4 5,-2.2 -5,-0.3 4,-1.5 0.899 111.3 51.1 -64.3 -37.9 18.8 3.8 20.7 23 24 A K H <5S+ 0 0 183 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.909 110.9 47.0 -62.3 -43.8 21.2 0.9 20.9 24 25 A A H <5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 118.6 40.6 -69.5 -36.4 18.6 -1.6 19.7 25 26 A L H <5S- 0 0 61 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.700 106.3-128.1 -78.1 -21.4 17.5 0.6 16.8 26 27 A G T <5 + 0 0 64 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.947 64.0 127.3 66.8 48.7 21.0 1.6 16.0 27 28 A V < - 0 0 45 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.858 62.9 -83.2-131.4 167.0 20.3 5.3 16.1 28 29 A G - 0 0 42 -2,-0.3 46,-2.6 -3,-0.1 2,-0.5 -0.393 31.8-141.7 -71.6 147.6 21.5 8.4 17.7 29 30 A L E -c 74 0A 78 44,-0.2 2,-0.5 -2,-0.1 46,-0.2 -0.964 18.0-176.9-112.1 120.0 20.5 9.5 21.2 30 31 A L E -c 75 0A 47 44,-2.4 46,-2.9 -2,-0.5 2,-0.5 -0.980 8.2-163.9-119.7 122.4 19.9 13.2 21.8 31 32 A D E > -c 76 0A 51 -2,-0.5 4,-2.6 44,-0.2 5,-0.2 -0.929 12.9-148.7-103.9 120.7 19.1 14.5 25.3 32 33 A T H > S+ 0 0 0 44,-2.4 4,-2.0 -2,-0.5 5,-0.1 0.829 95.9 56.1 -66.0 -31.1 17.7 18.0 25.2 33 34 A D H > S+ 0 0 60 43,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.951 111.9 43.7 -63.9 -44.6 19.1 19.0 28.7 34 35 A V H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.938 112.1 54.1 -63.8 -46.4 22.6 18.0 27.5 35 36 A A H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.873 104.1 54.5 -59.3 -36.1 22.0 19.8 24.2 36 37 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 6,-0.3 0.932 111.0 45.3 -63.8 -42.5 21.0 23.1 26.0 37 38 A E H X S+ 0 0 79 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.909 112.8 51.2 -68.2 -37.2 24.3 23.1 27.9 38 39 A Q H < S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.808 113.7 44.3 -67.2 -29.3 26.3 22.2 24.7 39 40 A R H < S+ 0 0 194 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.703 125.1 30.1 -89.4 -23.3 24.6 25.1 22.8 40 41 A T H < S- 0 0 44 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.657 90.5-133.6-106.7 -23.5 24.9 27.8 25.5 41 42 A G S < S+ 0 0 70 -4,-2.4 2,-0.3 1,-0.3 -3,-0.1 0.653 73.8 106.7 66.8 18.7 28.1 26.8 27.4 42 43 A R S S- 0 0 73 -6,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 -0.924 73.7-110.8-128.1 148.4 26.1 27.3 30.6 43 44 A S > - 0 0 54 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.372 29.8-113.0 -74.3 155.3 24.7 24.9 33.1 44 45 A I H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.937 119.4 49.8 -50.3 -48.7 21.0 24.4 33.5 45 46 A A H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 107.8 53.4 -61.3 -40.3 21.1 25.9 37.0 46 47 A D H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 5,-0.4 0.910 108.8 49.4 -61.5 -44.6 23.1 29.0 35.8 47 48 A I H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-1.3 0.950 112.0 47.4 -61.5 -50.7 20.6 29.7 33.1 48 49 A F H X5S+ 0 0 72 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.929 114.1 48.2 -51.8 -47.2 17.7 29.5 35.5 49 50 A A H <5S+ 0 0 83 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.819 124.0 26.9 -70.6 -31.4 19.5 31.7 38.1 50 51 A T H <5S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.840 133.7 25.8-104.9 -39.1 20.5 34.5 35.7 51 52 A D H <5S- 0 0 77 -4,-2.5 4,-0.4 -5,-0.4 -3,-0.2 0.683 105.8-129.8 -97.0 -21.3 18.1 34.6 32.8 52 53 A G X< - 0 0 26 -5,-1.3 4,-2.2 -4,-0.6 3,-0.2 -0.080 29.3 -64.6 93.1 168.0 15.2 33.2 34.7 53 54 A E H > S+ 0 0 100 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 127.1 52.8 -58.0 -50.9 12.7 30.4 34.1 54 55 A Q H > S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 110.4 47.8 -57.6 -40.1 10.9 31.9 31.1 55 56 A E H > S+ 0 0 67 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.905 110.4 51.6 -70.6 -39.9 14.2 32.4 29.3 56 57 A F H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.941 110.5 50.4 -57.2 -46.9 15.4 28.8 30.0 57 58 A R H X S+ 0 0 31 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.835 108.5 50.8 -63.3 -34.9 12.1 27.6 28.6 58 59 A R H X S+ 0 0 116 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.928 112.3 46.8 -66.4 -43.8 12.5 29.7 25.4 59 60 A I H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 113.0 49.9 -59.3 -47.6 16.0 28.2 24.9 60 61 A E H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.918 109.0 51.4 -58.4 -44.0 14.7 24.7 25.6 61 62 A E H X S+ 0 0 43 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.916 109.1 50.8 -63.5 -42.0 11.9 25.2 23.1 62 63 A D H X S+ 0 0 82 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.932 112.8 46.4 -58.7 -46.1 14.3 26.3 20.4 63 64 A V H X S+ 0 0 22 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 113.2 49.0 -59.2 -46.8 16.5 23.3 21.1 64 65 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.939 110.8 49.9 -60.8 -45.5 13.5 20.9 21.1 65 66 A R H X S+ 0 0 110 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.892 111.4 49.0 -62.8 -38.6 12.2 22.4 17.8 66 67 A A H X S+ 0 0 47 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.919 111.7 48.9 -66.3 -41.3 15.5 22.0 16.2 67 68 A A H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 108.6 52.4 -64.6 -41.7 15.9 18.4 17.3 68 69 A L H < S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.2 43.6 -61.2 -33.9 12.4 17.5 16.1 69 70 A A H < S+ 0 0 67 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.887 129.1 21.4 -73.0 -40.2 13.3 19.0 12.7 70 71 A D H < S+ 0 0 125 -4,-2.3 2,-0.4 -5,-0.1 -3,-0.2 0.668 97.8 89.1-115.3 -24.2 16.8 17.5 12.3 71 72 A H < - 0 0 34 -4,-2.4 4,-0.1 -5,-0.3 -41,-0.0 -0.655 41.8-176.1 -88.4 133.4 17.3 14.4 14.5 72 73 A D + 0 0 94 -2,-0.4 -69,-0.5 -70,-0.2 -1,-0.1 0.496 64.0 56.4-104.0 -6.1 16.3 11.0 13.2 73 74 A G S S- 0 0 2 -71,-0.2 -70,-1.6 1,-0.2 -69,-1.3 0.339 104.4 -34.6-102.9-136.6 17.0 8.8 16.2 74 75 A V E -ac 4 29A 0 -46,-2.6 -44,-2.4 -71,-0.2 2,-0.5 -0.804 50.7-161.1 -93.5 131.3 15.8 8.8 19.9 75 76 A L E -ac 5 30A 0 -71,-2.6 -69,-3.0 -2,-0.4 2,-0.6 -0.976 1.9-159.3-114.2 117.4 15.1 12.2 21.4 76 77 A S E -ac 6 31A 4 -46,-2.9 -44,-2.4 -2,-0.5 2,-0.4 -0.898 15.5-145.2 -98.8 117.7 14.9 12.3 25.2 77 78 A L - 0 0 2 -71,-2.4 -69,-0.3 -2,-0.6 5,-0.1 -0.678 17.5-111.2 -90.7 134.7 13.0 15.4 26.4 78 79 A G > - 0 0 1 -2,-0.4 3,-1.5 1,-0.1 4,-0.4 -0.243 37.1-106.5 -54.2 152.9 13.9 17.3 29.6 79 80 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.500 113.3 39.7 -67.6 -15.5 11.3 16.9 32.3 80 81 A G T > S+ 0 0 6 1,-0.1 3,-1.6 2,-0.1 4,-0.3 0.383 83.9 98.0-110.9 -1.1 9.8 20.3 32.1 81 82 A A G X S+ 0 0 0 -3,-1.5 3,-1.8 1,-0.3 6,-0.3 0.868 77.5 60.0 -56.9 -39.0 9.8 20.9 28.4 82 83 A V G 3 S+ 0 0 1 -4,-0.4 -1,-0.3 1,-0.3 6,-0.2 0.652 87.5 74.7 -71.8 -7.4 6.1 19.9 28.1 83 84 A T G < S+ 0 0 43 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.688 80.9 85.5 -69.9 -18.5 5.1 22.7 30.4 84 85 A S S X> S- 0 0 11 -3,-1.8 4,-2.0 -4,-0.3 3,-1.0 -0.748 75.2-147.5 -84.4 121.0 5.8 25.0 27.5 85 86 A P H 3> S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.887 98.5 57.7 -53.9 -40.6 2.8 25.3 25.2 86 87 A G H 3> S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.791 104.2 51.0 -62.3 -30.9 5.1 25.7 22.2 87 88 A V H <> S+ 0 0 0 -3,-1.0 4,-2.2 -6,-0.3 -1,-0.2 0.916 108.9 50.9 -71.1 -43.4 6.8 22.4 22.9 88 89 A R H X S+ 0 0 75 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.911 112.9 47.5 -62.2 -36.0 3.4 20.6 23.1 89 90 A A H >< S+ 0 0 64 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.924 110.5 50.4 -63.9 -47.4 2.5 22.2 19.8 90 91 A A H 3< S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.828 104.4 59.6 -63.8 -32.7 5.8 21.2 18.2 91 92 A L H >< S+ 0 0 3 -4,-2.2 3,-2.5 -5,-0.1 -1,-0.2 0.776 76.3 112.9 -65.7 -25.7 5.4 17.6 19.3 92 93 A A T << S+ 0 0 79 -4,-0.8 3,-0.1 -3,-0.8 50,-0.0 -0.288 80.4 23.8 -58.9 125.5 2.2 17.1 17.4 93 94 A G T 3 S+ 0 0 85 1,-0.5 -1,-0.3 -2,-0.1 2,-0.2 0.208 102.1 106.7 103.7 -14.4 2.7 14.6 14.6 94 95 A H S < S- 0 0 39 -3,-2.5 2,-0.7 -4,-0.0 -1,-0.5 -0.489 81.3-101.6 -88.9 164.2 5.7 13.0 16.2 95 96 A T - 0 0 50 -93,-0.5 -90,-2.4 -2,-0.2 2,-0.5 -0.822 44.5-173.9 -85.5 111.4 6.0 9.6 17.8 96 97 A V E -b 5 0A 1 -2,-0.7 48,-3.0 -92,-0.2 49,-2.1 -0.955 9.6-162.1-122.0 112.2 6.0 10.3 21.5 97 98 A V E -bd 6 145A 0 -92,-2.9 -90,-2.6 -2,-0.5 2,-0.7 -0.862 4.8-158.1-100.2 115.7 6.6 7.5 24.0 98 99 A Y E -bd 7 146A 2 47,-2.5 49,-3.1 -2,-0.6 2,-1.1 -0.886 7.5-151.3 -98.6 112.3 5.4 8.2 27.6 99 100 A L E - d 0 147A 0 -92,-2.6 -90,-0.5 -2,-0.7 2,-0.4 -0.789 27.3-157.7 -82.3 96.7 7.2 6.0 30.2 100 101 A E E + d 0 148A 35 47,-2.9 49,-2.6 -2,-1.1 50,-0.5 -0.714 21.3 165.0 -96.1 128.5 4.3 6.0 32.7 101 102 A I - 0 0 8 -2,-0.4 2,-0.1 47,-0.2 -89,-0.1 -0.958 34.6-109.9-134.2 155.6 4.8 5.3 36.4 102 103 A S > - 0 0 49 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.391 32.0-110.9 -76.2 161.7 2.6 5.8 39.5 103 104 A A H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 119.3 50.9 -55.5 -47.1 3.5 8.3 42.2 104 105 A A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 110.5 47.3 -59.9 -43.1 4.3 5.5 44.6 105 106 A E H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 111.9 51.0 -65.1 -41.9 6.6 3.8 42.2 106 107 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.867 108.2 51.4 -63.5 -41.6 8.4 7.0 41.3 107 108 A V H >< S+ 0 0 29 -4,-2.2 3,-0.9 1,-0.2 4,-0.2 0.956 111.6 48.2 -63.1 -47.6 9.0 7.9 45.0 108 109 A R H >< S+ 0 0 148 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.914 112.9 47.2 -58.2 -44.8 10.5 4.4 45.5 109 110 A R H 3< S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.573 110.0 51.2 -78.0 -10.6 12.8 4.6 42.5 110 111 A T T << S+ 0 0 38 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.188 82.2 94.5-109.3 13.9 14.1 8.1 43.2 111 112 A G S X S- 0 0 19 -3,-1.1 3,-0.5 1,-0.2 -1,-0.1 0.653 78.3-148.8 -78.6 -17.8 15.1 7.3 46.8 112 113 A G T 3 - 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0 0 92 -3,-1.7 -1,-0.2 2,-0.0 5,-0.0 -0.968 62.0-115.3-118.1 140.9 9.0 -3.8 34.6 153 154 A N >> - 0 0 111 -2,-0.4 4,-1.6 1,-0.1 3,-0.7 -0.405 29.0-119.3 -65.8 142.4 12.6 -4.6 33.7 154 155 A P H 3> S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.772 113.5 57.9 -59.8 -26.0 14.0 -1.9 31.3 155 156 A G H 3> S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.864 104.7 49.6 -69.0 -37.2 14.6 -4.6 28.6 156 157 A A H <> S+ 0 0 39 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.838 110.2 51.5 -67.7 -37.7 10.9 -5.6 28.6 157 158 A V H X S+ 0 0 2 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.929 109.2 50.1 -64.7 -44.1 10.0 -1.9 28.2 158 159 A V H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.930 111.2 49.4 -60.9 -43.3 12.4 -1.6 25.3 159 160 A R H X S+ 0 0 183 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 108.4 53.0 -61.8 -42.3 10.9 -4.8 23.6 160 161 A H H < S+ 0 0 34 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.934 112.6 44.4 -58.2 -48.2 7.4 -3.4 24.1 161 162 A I H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.935 112.1 52.2 -62.6 -48.6 8.3 -0.2 22.4 162 163 A L H >< S+ 0 0 50 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.871 103.6 57.1 -58.6 -37.9 10.2 -1.9 19.6 163 164 A S T 3< S+ 0 0 57 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.637 111.6 44.4 -68.2 -12.5 7.2 -4.2 18.8 164 165 A R T < S+ 0 0 135 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.163 109.1 56.5-115.7 15.2 5.2 -1.0 18.3 165 166 A L S < S+ 0 0 34 -3,-1.5 -2,-0.1 -4,-0.1 -1,-0.1 -0.015 73.1 145.1-132.9 28.8 7.8 0.9 16.2 166 167 A Q - 0 0 157 -3,-0.2 -3,-0.0 1,-0.0 -4,-0.0 -0.328 36.0-150.7 -73.5 152.4 8.3 -1.6 13.4 167 168 A V - 0 0 126 -2,-0.0 -2,-0.0 3,-0.0 -1,-0.0 -0.986 17.1-126.5-124.3 119.0 9.0 -0.4 9.8 168 169 A P - 0 0 113 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.242 35.6 -93.2 -59.2 154.8 7.9 -2.5 6.8 169 170 A S - 0 0 111 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.399 52.0-102.9 -63.6 143.4 10.4 -3.5 4.2 170 171 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.363 31.6-117.9 -69.5 151.4 10.3 -1.0 1.3 171 172 A S > - 0 0 70 1,-0.1 4,-1.5 -3,-0.1 0, 0.0 -0.214 29.3-104.9 -70.6 173.7 8.6 -1.8 -1.9 172 173 A E T 4 S+ 0 0 181 2,-0.2 -1,-0.1 1,-0.2 0, 0.0 0.907 121.7 55.2 -67.3 -42.6 10.5 -1.9 -5.2 173 174 A A T 4 S+ 0 0 97 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.871 107.6 49.0 -57.8 -41.7 9.1 1.5 -6.3 174 175 A A T 4 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.876 360.0 360.0 -65.2 -39.5 10.4 3.1 -3.1 175 176 A T < 0 0 135 -4,-1.5 0, 0.0 0, 0.0 0, 0.0 -0.462 360.0 360.0 -74.0 360.0 13.8 1.6 -3.6