==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JAN-02 1GSI . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.URSBY,M.WEIK,E.FIORAVANTI,M.DELARUE,M.GOELDNER, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.6 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.8 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 0 0 0 0 1 0 3 1 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 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 1 A M 0 0 46 0, 0.0 90,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 127.5 42.5 8.6 23.2 2 2 A L E -a 91 0A 4 88,-0.2 132,-1.9 130,-0.2 133,-1.7 -0.890 360.0-179.1-104.9 121.1 39.7 8.3 20.8 3 3 A I E -ab 92 135A 0 88,-3.1 90,-3.1 -2,-0.6 2,-0.4 -0.967 9.3-162.2-121.9 133.5 36.7 10.8 21.2 4 4 A A E -ab 93 136A 0 131,-2.5 133,-3.0 -2,-0.4 2,-0.6 -0.952 8.9-148.7-117.1 133.1 33.6 10.9 19.1 5 5 A I E -ab 94 137A 0 88,-3.4 90,-2.0 -2,-0.4 2,-0.3 -0.889 25.4-178.9-100.5 123.5 31.2 13.9 19.0 6 6 A E E + b 0 138A 0 131,-3.1 133,-2.6 -2,-0.6 2,-0.2 -0.776 17.5 110.8-121.3 165.0 27.6 12.9 18.4 7 7 A G - 0 0 1 -2,-0.3 133,-0.1 131,-0.2 3,-0.1 -0.783 59.7 -63.1 150.1 166.1 24.3 14.7 18.0 8 8 A V S > S- 0 0 10 131,-0.3 3,-1.5 -2,-0.2 5,-0.3 -0.055 71.6 -67.5 -69.9 175.2 21.5 15.6 15.6 9 9 A D T 3 S+ 0 0 22 1,-0.3 141,-0.3 2,-0.1 -1,-0.2 -0.473 122.9 14.9 -67.4 131.8 21.9 17.7 12.5 10 10 A G T 3 S+ 0 0 3 -2,-0.2 -1,-0.3 139,-0.1 139,-0.2 0.631 84.3 127.3 79.9 14.8 22.7 21.3 13.4 11 11 A A S < S- 0 0 2 -3,-1.5 -2,-0.1 138,-0.1 -3,-0.1 0.722 84.2-104.3 -75.2 -20.8 23.5 20.5 17.0 12 12 A G S > S+ 0 0 6 -4,-0.2 4,-2.1 134,-0.1 5,-0.2 0.648 72.2 143.2 104.6 22.8 26.8 22.3 16.8 13 13 A K H > + 0 0 14 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.912 69.2 52.4 -60.4 -48.5 29.2 19.4 16.5 14 14 A R H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 112.0 47.6 -56.7 -42.9 31.6 20.9 14.1 15 15 A T H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 109.7 52.0 -66.2 -40.5 32.0 23.9 16.3 16 16 A L H X S+ 0 0 8 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.872 106.9 54.1 -64.5 -35.4 32.5 21.8 19.4 17 17 A V H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.911 109.6 48.1 -64.0 -41.0 35.2 19.9 17.7 18 18 A E H X S+ 0 0 65 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.950 115.9 42.8 -63.2 -50.5 37.0 23.1 16.9 19 19 A K H X S+ 0 0 113 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 115.4 48.9 -63.0 -45.1 36.7 24.4 20.4 20 20 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.907 109.6 51.9 -63.2 -42.2 37.6 21.1 22.0 21 21 A S H X S+ 0 0 5 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.888 109.8 51.0 -61.2 -38.8 40.7 20.7 19.7 22 22 A G H X S+ 0 0 36 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.908 108.7 50.7 -65.1 -42.2 41.8 24.1 20.8 23 23 A A H X S+ 0 0 19 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.915 111.1 48.0 -62.3 -45.2 41.4 23.3 24.5 24 24 A F H ><>S+ 0 0 2 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.913 112.4 48.5 -63.1 -42.8 43.5 20.1 24.2 25 25 A R H ><5S+ 0 0 137 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.830 106.8 56.7 -66.8 -31.1 46.2 21.9 22.2 26 26 A A H 3<5S+ 0 0 92 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.714 105.0 53.7 -70.9 -20.2 46.2 24.6 24.9 27 27 A A T <<5S- 0 0 60 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.336 126.4-102.7 -94.5 3.8 46.9 21.9 27.4 28 28 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.554 77.4 132.2 89.1 9.3 49.9 20.7 25.4 29 29 A R < - 0 0 92 -5,-2.3 -1,-0.3 60,-0.0 2,-0.3 -0.745 57.2-121.5 -98.9 142.5 48.4 17.6 23.7 30 30 A S - 0 0 44 -2,-0.3 60,-2.0 57,-0.0 59,-0.4 -0.597 33.9-162.2 -78.4 140.0 48.6 16.9 20.0 31 31 A V E -c 90 0A 7 -2,-0.3 2,-0.3 58,-0.2 60,-0.2 -0.971 16.5-176.8-130.8 142.1 45.2 16.6 18.3 32 32 A A E -c 91 0A 9 58,-1.9 60,-2.7 -2,-0.4 2,-0.3 -0.971 12.4-161.2-131.9 145.9 44.0 15.1 15.1 33 33 A T E -c 92 0A 73 -2,-0.3 2,-0.3 58,-0.2 60,-0.2 -0.928 10.9-179.3-131.0 156.1 40.4 15.2 13.8 34 34 A L E -c 93 0A 28 58,-1.9 60,-2.4 -2,-0.3 2,-0.4 -0.982 13.9-148.6-151.5 140.3 38.3 13.3 11.2 35 35 A A E -c 94 0A 46 -2,-0.3 60,-0.2 58,-0.2 61,-0.1 -0.940 20.3-117.2-119.1 137.1 34.7 13.8 10.2 36 36 A F S S+ 0 0 7 58,-2.6 2,-0.1 -2,-0.4 34,-0.0 -0.937 94.4 47.6-115.2 140.3 32.2 11.2 9.0 37 37 A P S S- 0 0 20 0, 0.0 2,-2.1 0, 0.0 33,-0.1 0.510 85.1-142.5 -68.9 148.7 30.9 10.9 6.4 38 38 A R >> - 0 0 29 -2,-0.1 3,-1.7 2,-0.1 4,-1.0 -0.458 22.5-157.7 -83.3 69.4 34.2 11.4 4.7 39 39 A Y T 34 S+ 0 0 127 -2,-2.1 4,-0.1 1,-0.3 -4,-0.1 -0.174 72.5 9.2 -50.4 132.5 32.7 13.4 1.8 40 40 A G T 34 S+ 0 0 62 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 -0.011 121.8 67.8 86.3 -30.3 34.9 13.4 -1.3 41 41 A Q T <4 S+ 0 0 149 -3,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.505 98.2 52.2 -98.9 -6.4 37.3 10.7 0.1 42 42 A S X - 0 0 13 -4,-1.0 4,-2.5 1,-0.1 -2,-0.4 -0.981 58.9-157.8-136.7 124.2 34.7 7.9 0.1 43 43 A V H > S+ 0 0 109 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.937 102.9 52.2 -60.2 -46.1 32.5 6.7 -2.8 44 44 A A H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.3 47.3 -55.8 -45.2 30.2 5.1 -0.2 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 114.3 47.2 -65.5 -40.1 30.0 8.5 1.7 46 46 A D H X S+ 0 0 44 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.897 112.2 47.4 -70.4 -41.4 29.4 10.4 -1.5 47 47 A I H X S+ 0 0 55 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.901 112.1 52.6 -66.6 -37.4 26.7 8.1 -2.9 48 48 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.951 111.6 45.1 -61.0 -49.2 25.0 8.2 0.5 49 49 A A H X S+ 0 0 16 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.912 113.2 50.0 -61.2 -44.9 25.0 12.0 0.6 50 50 A E H ><>S+ 0 0 70 -4,-2.6 5,-2.4 1,-0.2 3,-0.8 0.867 107.6 54.1 -63.5 -36.8 23.7 12.1 -3.0 51 51 A A H ><5S+ 0 0 5 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.887 104.7 54.7 -64.7 -37.1 21.0 9.7 -2.2 52 52 A L H 3<5S+ 0 0 9 -4,-1.8 112,-2.6 1,-0.3 -1,-0.3 0.637 106.3 53.5 -71.6 -11.4 19.9 11.9 0.7 53 53 A H T <<5S- 0 0 97 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.169 133.1 -86.7-106.6 16.3 19.7 14.7 -1.9 54 54 A G T < 5S+ 0 0 71 -3,-1.7 -3,-0.2 1,-0.3 3,-0.2 0.468 88.6 116.2 99.2 3.4 17.4 12.8 -4.2 55 55 A E < + 0 0 103 -5,-2.4 5,-0.4 1,-0.2 -1,-0.3 -0.400 47.6 47.6 -99.5 176.5 19.7 10.7 -6.4 56 56 A H S > S- 0 0 78 -2,-0.1 3,-2.1 3,-0.1 4,-0.2 0.910 94.8-103.7 61.2 52.0 20.3 7.0 -6.9 57 57 A G T 3 S- 0 0 78 1,-0.2 3,-0.4 -3,-0.2 4,-0.1 -0.028 89.4 -9.4 43.4-126.0 16.8 5.7 -7.3 58 58 A D T > S+ 0 0 130 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.214 99.9 109.8 -90.7 15.5 15.4 3.9 -4.3 59 59 A L G X S+ 0 0 38 -3,-2.1 3,-1.8 1,-0.2 7,-0.3 0.940 76.2 48.9 -56.8 -54.6 18.7 3.7 -2.3 60 60 A A G 3 S+ 0 0 17 -5,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.702 97.4 71.5 -61.4 -19.4 17.7 6.2 0.4 61 61 A S G < S+ 0 0 90 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.3 0.688 84.9 79.4 -71.8 -16.2 14.4 4.4 1.0 62 62 A S <> - 0 0 50 -3,-1.8 4,-1.8 -4,-0.4 5,-0.2 -0.840 64.4-162.8 -96.3 119.8 16.3 1.5 2.6 63 63 A V H > S+ 0 0 17 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.920 93.0 45.5 -64.8 -44.6 17.3 2.2 6.2 64 64 A Y H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.799 107.9 57.2 -71.7 -27.5 19.9 -0.6 6.2 65 65 A A H > S+ 0 0 32 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.933 109.7 45.1 -67.3 -45.6 21.3 0.4 2.8 66 66 A M H X S+ 0 0 1 -4,-1.8 4,-2.1 -7,-0.3 5,-0.2 0.935 113.4 49.9 -63.0 -45.5 22.1 3.9 4.1 67 67 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.916 109.4 52.6 -59.7 -41.6 23.6 2.4 7.3 68 68 A T H X S+ 0 0 53 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.905 107.1 51.7 -62.2 -41.1 25.7 0.0 5.3 69 69 A L H X S+ 0 0 30 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.914 110.7 47.1 -63.4 -41.4 27.1 2.8 3.2 70 70 A F H X S+ 0 0 24 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.857 113.1 50.2 -68.8 -31.6 28.1 4.9 6.2 71 71 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.869 108.8 51.3 -72.2 -36.6 29.7 1.8 7.7 72 72 A L H X S+ 0 0 91 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.824 106.3 55.7 -69.6 -30.1 31.6 1.1 4.5 73 73 A D H < S+ 0 0 0 -4,-1.7 3,-0.4 2,-0.2 4,-0.3 0.961 111.2 43.0 -64.6 -50.3 32.9 4.6 4.6 74 74 A R H >< S+ 0 0 7 -4,-1.8 3,-1.9 1,-0.2 4,-0.4 0.867 106.9 62.0 -63.4 -35.2 34.3 4.0 8.1 75 75 A A H >< S+ 0 0 31 -4,-2.3 3,-1.1 1,-0.3 4,-0.3 0.880 101.1 53.3 -58.2 -37.0 35.6 0.6 7.1 76 76 A G T 3< S+ 0 0 53 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.538 109.2 50.6 -75.4 -4.7 37.8 2.4 4.6 77 77 A A T <> S+ 0 0 0 -3,-1.9 4,-2.6 -4,-0.3 -1,-0.2 0.326 75.6 103.3-113.3 4.5 39.1 4.6 7.4 78 78 A V H <> S+ 0 0 19 -3,-1.1 4,-2.4 -4,-0.4 5,-0.2 0.923 85.9 44.1 -53.2 -50.8 40.0 1.8 9.9 79 79 A H H > S+ 0 0 150 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.876 112.6 53.0 -63.9 -37.9 43.8 2.1 9.2 80 80 A T H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.3 47.4 -64.0 -43.0 43.7 5.9 9.2 81 81 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 113.0 47.7 -64.9 -45.5 42.0 5.9 12.6 82 82 A Q H X S+ 0 0 79 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.896 112.4 50.6 -63.1 -39.2 44.4 3.4 14.1 83 83 A G H X S+ 0 0 30 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.898 110.2 48.6 -65.3 -41.5 47.3 5.4 12.7 84 84 A L H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.870 106.8 57.1 -66.6 -37.0 46.1 8.7 14.1 85 85 A C H < S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 111.7 41.2 -65.8 -28.5 45.6 7.1 17.5 86 86 A R H < S+ 0 0 197 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.541 118.6 47.0 -95.6 -7.0 49.2 6.1 17.7 87 87 A G H < S+ 0 0 54 -4,-0.7 2,-0.3 -3,-0.4 -2,-0.2 0.678 113.1 43.3-104.2 -23.2 50.5 9.3 16.3 88 88 A Y S < S- 0 0 102 -4,-2.2 -57,-0.1 -5,-0.1 3,-0.1 -0.875 70.8-131.1-124.4 157.4 48.5 11.8 18.3 89 89 A D S S+ 0 0 89 -59,-0.4 2,-0.4 -2,-0.3 -58,-0.2 0.876 97.4 22.5 -70.6 -38.6 47.6 12.2 22.0 90 90 A V E - c 0 31A 1 -60,-2.0 -58,-1.9 -6,-0.1 2,-0.5 -0.996 62.0-166.5-135.1 136.6 43.9 12.8 21.1 91 91 A V E -ac 2 32A 0 -90,-2.7 -88,-3.1 -2,-0.4 2,-0.5 -0.987 12.7-164.5-122.9 119.4 41.8 11.9 18.1 92 92 A I E -ac 3 33A 0 -60,-2.7 -58,-1.9 -2,-0.5 2,-0.4 -0.914 1.7-158.8-110.5 129.1 38.4 13.6 17.8 93 93 A L E -ac 4 34A 0 -90,-3.1 -88,-3.4 -2,-0.5 2,-1.2 -0.889 15.7-144.5-109.8 132.9 35.7 12.4 15.4 94 94 A D E S-ac 5 35A 31 -60,-2.4 -58,-2.6 -2,-0.4 -88,-0.1 -0.825 87.0 -14.5 -93.6 95.0 32.8 14.5 14.2 95 95 A R S S+ 0 0 27 -90,-2.0 -59,-0.3 -2,-1.2 2,-0.2 0.395 77.0 174.1 80.9 143.9 30.3 11.7 14.2 96 96 A Y >> - 0 0 0 -3,-0.1 3,-1.5 -92,-0.1 4,-0.7 -0.696 54.4 -39.5-152.9-154.1 31.2 8.0 14.4 97 97 A V H >> S+ 0 0 0 1,-0.3 4,-1.3 -2,-0.2 3,-0.9 0.830 124.1 64.2 -53.2 -39.3 29.5 4.6 14.8 98 98 A A H 3> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.800 91.8 65.5 -58.2 -28.7 26.8 5.9 17.2 99 99 A S H <> S+ 0 0 12 -3,-1.5 4,-2.5 1,-0.2 5,-0.3 0.916 101.6 49.6 -59.4 -41.4 25.4 8.2 14.5 100 100 A N H S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.3 4,-0.3 0.940 113.6 50.6 -63.2 -45.1 16.8 3.2 15.0 106 106 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.3 -2,-0.2 0.877 106.8 52.6 -61.8 -39.1 15.0 6.5 14.7 107 107 A R H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.847 114.6 44.0 -66.0 -30.3 14.1 5.9 11.0 108 108 A L T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.353 113.1-118.7 -94.1 4.7 12.6 2.6 12.1 109 109 A H T < 5S+ 0 0 135 -3,-1.1 2,-0.2 -4,-0.3 -3,-0.2 0.884 70.1 136.3 58.2 40.1 10.9 4.0 15.2 110 110 A E < - 0 0 54 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.2 -0.651 49.6-124.4-109.5 168.1 12.9 1.7 17.4 111 111 A N > - 0 0 78 -2,-0.2 3,-2.0 -3,-0.1 6,-0.4 -0.472 38.8 -87.1-104.6-178.5 14.7 2.6 20.6 112 112 A A T 3 S+ 0 0 5 1,-0.3 66,-0.0 -2,-0.2 -7,-0.0 0.706 128.0 54.0 -62.4 -21.3 18.4 2.1 21.6 113 113 A A T 3 S+ 0 0 82 4,-0.1 -1,-0.3 5,-0.0 0, 0.0 0.276 95.3 107.1 -96.1 12.0 17.7 -1.4 22.7 114 114 A G S <> S- 0 0 17 -3,-2.0 4,-1.5 1,-0.0 5,-0.1 -0.033 85.9 -90.2 -82.9-174.2 16.2 -2.3 19.4 115 115 A K H > S+ 0 0 162 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 117.2 52.1 -62.9 -48.7 17.3 -4.3 16.3 116 116 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 109.1 48.8 -60.1 -46.2 19.0 -1.6 14.3 117 117 A A H > S+ 0 0 1 -6,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.901 112.5 49.4 -62.0 -39.5 21.3 -0.5 17.1 118 118 A A H X S+ 0 0 42 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.880 109.2 52.6 -66.0 -37.6 22.3 -4.1 17.8 119 119 A W H X S+ 0 0 42 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.921 107.3 51.5 -63.9 -44.2 23.0 -4.6 14.1 120 120 A V H X>S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.7 0.920 109.5 51.2 -59.4 -43.7 25.3 -1.5 14.0 121 121 A Q H X>S+ 0 0 44 -4,-2.0 5,-1.6 1,-0.2 4,-1.2 0.962 113.6 44.0 -55.9 -54.7 27.2 -3.0 17.0 122 122 A R H <>S+ 0 0 144 -4,-2.4 5,-2.0 3,-0.2 -2,-0.2 0.871 120.7 39.2 -60.0 -42.6 27.6 -6.3 15.3 123 123 A I H <>S+ 0 0 29 -4,-2.8 5,-2.3 3,-0.2 6,-0.2 0.956 123.6 31.6 -76.4 -52.4 28.6 -5.0 11.9 124 124 A E H <5S+ 0 0 0 -4,-2.5 6,-2.2 -5,-0.3 -3,-0.2 0.936 128.5 28.9 -77.1 -48.0 30.8 -2.0 12.7 125 125 A F T < - 0 0 74 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.353 35.1-129.8 -60.0 137.0 16.4 21.1 21.4 143 143 A A H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.849 108.7 56.1 -57.1 -34.2 15.2 19.6 18.1 144 144 A E H > S+ 0 0 82 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 108.6 43.8 -65.2 -46.9 13.7 23.0 17.4 145 145 A L H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.880 113.4 50.9 -67.7 -39.7 16.9 24.9 17.7 146 146 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.912 109.5 50.9 -64.5 -41.5 19.0 22.3 15.8 147 147 A G H X S+ 0 0 25 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.829 107.1 54.8 -64.9 -31.3 16.4 22.4 12.9 148 148 A E H X S+ 0 0 59 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.872 107.3 49.8 -69.3 -36.9 16.7 26.2 12.9 149 149 A R H X S+ 0 0 106 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.908 109.9 50.2 -68.3 -41.6 20.4 26.0 12.4 150 150 A S H X S+ 0 0 5 -4,-2.1 4,-1.6 -141,-0.3 -2,-0.2 0.902 112.6 46.9 -63.4 -41.1 20.1 23.5 9.6 151 151 A R H X S+ 0 0 149 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.911 111.5 51.5 -67.1 -42.1 17.6 25.7 7.8 152 152 A G H X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.880 106.4 54.6 -62.8 -38.4 19.8 28.8 8.3 153 153 A R H X S+ 0 0 52 -4,-2.2 4,-1.3 1,-0.2 7,-0.2 0.910 107.5 49.4 -61.6 -42.4 22.8 27.0 6.9 154 154 A A H < S+ 0 0 23 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 107.9 56.0 -66.4 -32.5 20.9 26.2 3.7 155 155 A Q H < S+ 0 0 173 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.3 33.2 -68.8 -36.7 19.7 29.8 3.4 156 156 A R H < S+ 0 0 164 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.532 119.9 51.8 -98.7 -5.5 23.2 31.3 3.5 157 157 A D >< - 0 0 51 -4,-1.3 3,-2.2 -5,-0.2 -1,-0.2 -0.883 55.6-168.6-135.8 105.5 25.1 28.5 1.6 158 158 A P T 3 S+ 0 0 130 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.721 93.1 60.0 -62.7 -18.0 23.8 27.2 -1.7 159 159 A G T 3 S+ 0 0 66 1,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.426 101.4 55.2 -89.2 0.9 26.2 24.3 -1.3 160 160 A R < + 0 0 111 -3,-2.2 -1,-0.2 -7,-0.2 -3,-0.1 -0.264 67.4 158.5-129.1 49.2 24.6 23.2 1.9 161 161 A A - 0 0 45 -3,-0.5 -10,-0.1 1,-0.1 -6,-0.0 -0.347 52.0 -94.0 -65.4 153.4 20.9 22.7 1.1 162 162 A R - 0 0 48 -11,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.331 39.4-139.5 -70.5 153.8 19.2 20.4 3.6 163 163 A D > - 0 0 14 -3,-0.1 4,-1.9 1,-0.0 5,-0.2 -0.496 34.8 -84.0-104.0 179.8 19.0 16.6 2.9 164 164 A N T 4 S+ 0 0 83 -112,-2.6 4,-0.4 1,-0.2 -111,-0.1 0.844 127.6 47.4 -51.6 -42.7 16.2 14.1 3.4 165 165 A Y T >4 S+ 0 0 17 1,-0.2 3,-1.0 2,-0.2 7,-0.3 0.914 111.8 49.8 -67.7 -43.1 17.1 13.5 7.0 166 166 A E T 34 S+ 0 0 38 1,-0.2 -2,-0.2 5,-0.1 -1,-0.2 0.778 107.3 54.7 -67.2 -27.3 17.4 17.2 7.9 167 167 A R T 3< S+ 0 0 135 -4,-1.9 2,-1.1 1,-0.1 -1,-0.2 0.577 90.7 85.3 -81.3 -10.9 14.0 18.0 6.3 168 168 A D <> + 0 0 51 -3,-1.0 4,-2.2 -4,-0.4 5,-0.2 -0.744 55.5 180.0 -96.4 90.3 12.4 15.3 8.5 169 169 A A H > S+ 0 0 46 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.875 81.7 50.6 -56.4 -43.1 11.6 17.1 11.8 170 170 A E H > S+ 0 0 105 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.871 109.1 51.5 -64.2 -39.7 10.1 14.1 13.4 171 171 A L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 108.9 51.0 -64.1 -44.0 13.1 11.9 12.5 172 172 A Q H X S+ 0 0 15 -4,-2.2 4,-1.9 -7,-0.3 -1,-0.2 0.891 110.9 49.6 -60.7 -39.4 15.4 14.5 14.1 173 173 A Q H X S+ 0 0 115 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.951 112.7 45.3 -64.6 -49.9 13.3 14.5 17.2 174 174 A R H X S+ 0 0 62 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.852 110.3 55.4 -62.9 -34.9 13.4 10.7 17.5 175 175 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 105.5 51.8 -65.1 -40.9 17.1 10.6 16.8 176 176 A G H X S+ 0 0 30 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.891 110.0 49.9 -62.1 -38.6 17.8 12.9 19.6 177 177 A A H X S+ 0 0 58 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.902 110.2 48.6 -67.9 -41.4 15.8 10.7 21.9 178 178 A V H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.904 108.4 55.3 -65.5 -39.2 17.6 7.5 20.8 179 179 A Y H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.915 105.2 52.7 -57.5 -44.3 20.9 9.4 21.4 180 180 A A H X S+ 0 0 55 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.888 111.2 46.9 -59.6 -39.7 19.9 10.1 24.9 181 181 A E H X S+ 0 0 84 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.904 109.2 53.1 -68.8 -43.0 19.2 6.4 25.5 182 182 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.7 0.912 110.6 48.5 -58.6 -41.9 22.5 5.3 23.9 183 183 A A H ><5S+ 0 0 14 -4,-2.4 3,-1.0 1,-0.2 8,-0.3 0.934 110.4 49.9 -63.9 -46.2 24.3 7.7 26.3 184 184 A A H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 113.8 46.7 -61.5 -31.4 22.4 6.4 29.3 185 185 A Q H 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.502 107.4-125.6 -88.5 -9.1 23.2 2.8 28.3 186 186 A G T X<5 - 0 0 32 -3,-1.0 3,-1.6 -4,-0.7 -3,-0.2 0.883 36.9-165.8 62.0 38.2 26.9 3.6 27.7 187 187 A W T 3 < - 0 0 9 -5,-2.5 -1,-0.2 1,-0.3 -89,-0.1 -0.382 68.8 -4.5 -60.8 122.5 26.5 2.1 24.2 188 188 A G T 3 S- 0 0 6 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.391 136.5 -36.3 75.3 -4.0 29.9 1.4 22.6 189 189 A G S < S- 0 0 26 -3,-1.6 -55,-0.1 -57,-0.1 -54,-0.1 -0.883 96.8 -25.0 144.9-176.2 31.6 3.0 25.5 190 190 A R E -d 135 0A 169 -56,-0.5 -54,-1.6 -2,-0.3 2,-0.3 -0.390 57.4-158.2 -71.0 141.4 31.4 5.8 28.1 191 191 A W E -d 136 0A 22 -8,-0.3 2,-0.4 -56,-0.2 -54,-0.2 -0.832 13.8-161.4-120.2 158.7 29.3 8.9 27.3 192 192 A L E -d 137 0A 39 -56,-2.0 -54,-2.9 -2,-0.3 2,-0.6 -0.997 13.5-148.7-135.5 131.0 29.2 12.5 28.4 193 193 A V E +d 138 0A 89 -2,-0.4 2,-0.3 -56,-0.2 -54,-0.2 -0.925 24.9 170.7-106.6 123.4 26.1 14.6 27.7 194 194 A V E -d 139 0A 22 -56,-2.8 -54,-2.1 -2,-0.6 2,-0.2 -0.834 21.8-134.8-127.2 165.4 26.7 18.3 27.3 195 195 A G > - 0 0 24 -2,-0.3 3,-1.6 -56,-0.2 -54,-0.1 -0.512 40.1 -89.8-110.5-178.9 24.7 21.4 26.2 196 196 A A T 3 S+ 0 0 79 -56,-0.3 -55,-0.1 1,-0.3 -57,-0.0 0.753 124.5 56.1 -63.3 -24.0 25.5 24.2 23.8 197 197 A D T 3 S+ 0 0 150 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.135 76.0 138.4 -96.2 20.3 26.9 26.2 26.7 198 198 A V < - 0 0 34 -3,-1.6 3,-0.1 1,-0.1 -4,-0.1 -0.401 58.4-117.5 -67.5 140.5 29.5 23.6 27.7 199 199 A D > - 0 0 89 1,-0.2 4,-2.6 -2,-0.1 3,-0.3 -0.706 15.8-151.9 -82.9 115.5 32.9 25.0 28.6 200 200 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.853 92.9 55.3 -52.5 -41.0 35.6 23.7 26.2 201 201 A G H > S+ 0 0 42 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.907 113.4 37.9 -62.3 -46.0 38.3 23.9 28.8 202 202 A R H > S+ 0 0 195 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.848 113.5 56.2 -75.5 -35.1 36.6 21.8 31.4 203 203 A L H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.938 108.3 48.5 -61.2 -44.7 35.2 19.4 28.9 204 204 A A H X S+ 0 0 7 -4,-2.3 4,-3.6 -5,-0.2 -1,-0.2 0.856 109.8 52.9 -61.9 -36.0 38.7 18.7 27.6 205 205 A A H < S+ 0 0 69 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.887 108.1 50.2 -66.8 -39.4 39.8 18.2 31.2 206 206 A T H < S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 119.9 36.6 -65.9 -37.4 37.1 15.6 31.7 207 207 A L H < 0 0 6 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.898 360.0 360.0 -81.6 -44.4 38.2 13.8 28.6 208 208 A A < 0 0 56 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.1 0.489 360.0 360.0 -4.8 360.0 41.9 14.3 28.8