==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-NOV-02 1N5I . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.FIORAVANTI,A.HAOUZ,T.URSBY,H.MUNIER-LEHMANN,M.DELARUE,D.BO . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 75.5 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 . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 43.3 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 1 2 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 61 0, 0.0 90,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 137.1 42.5 8.4 23.4 2 2 A L E -a 91 0A 4 88,-0.2 132,-2.0 130,-0.1 133,-1.7 -0.935 360.0-177.8-112.9 120.8 39.6 8.3 20.9 3 3 A I E -ab 92 135A 0 88,-2.8 90,-3.1 -2,-0.5 2,-0.5 -0.963 8.7-160.5-120.3 131.6 36.7 10.7 21.5 4 4 A A E -ab 93 136A 0 131,-2.4 133,-2.9 -2,-0.4 2,-0.6 -0.941 8.4-148.8-114.7 130.7 33.6 10.9 19.3 5 5 A I E -ab 94 137A 0 88,-3.2 90,-2.0 -2,-0.5 2,-0.3 -0.878 26.1-178.0 -97.7 121.5 31.3 14.0 19.2 6 6 A E E + b 0 138A 0 131,-2.9 133,-2.6 -2,-0.6 2,-0.2 -0.775 17.9 113.2-118.4 163.0 27.7 12.9 18.6 7 7 A G - 0 0 0 -2,-0.3 133,-0.1 131,-0.2 3,-0.1 -0.793 61.1 -66.0 153.4 164.8 24.4 14.7 18.1 8 8 A V > - 0 0 12 131,-0.3 3,-1.7 -2,-0.2 5,-0.3 -0.244 69.1 -77.0 -71.6 164.9 21.7 15.5 15.6 9 9 A D T 3 S+ 0 0 34 1,-0.3 141,-0.2 2,-0.1 -1,-0.2 -0.410 122.1 25.4 -63.6 136.4 22.4 17.7 12.6 10 10 A G T 3 S+ 0 0 2 139,-0.1 -1,-0.3 -3,-0.1 139,-0.2 0.525 84.6 120.6 87.5 6.0 22.6 21.3 13.6 11 11 A A S < S- 0 0 1 -3,-1.7 -2,-0.1 130,-0.1 -3,-0.1 0.750 87.1-105.8 -73.7 -24.6 23.5 20.5 17.2 12 12 A G > + 0 0 15 -4,-0.2 4,-1.9 134,-0.1 5,-0.1 0.653 68.8 146.4 105.5 24.3 26.8 22.4 17.0 13 13 A K H > + 0 0 13 -5,-0.3 4,-2.3 1,-0.2 5,-0.2 0.904 68.1 51.9 -60.4 -47.5 29.2 19.5 16.8 14 14 A R H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 110.2 50.6 -59.1 -39.0 31.8 21.1 14.5 15 15 A T H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 109.3 50.5 -65.0 -41.0 32.0 24.1 16.8 16 16 A L H X S+ 0 0 9 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.888 107.9 53.3 -64.4 -38.9 32.5 21.9 19.9 17 17 A V H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.923 110.4 47.8 -61.3 -44.0 35.3 20.0 18.1 18 18 A E H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.948 115.1 43.6 -62.5 -49.5 37.1 23.2 17.4 19 19 A K H X S+ 0 0 112 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.899 115.1 49.5 -63.6 -41.5 36.7 24.5 21.0 20 20 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.912 107.4 54.5 -64.8 -42.0 37.7 21.2 22.5 21 21 A S H X S+ 0 0 7 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.918 109.2 48.4 -58.0 -43.8 40.8 20.9 20.2 22 22 A G H X S+ 0 0 40 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.903 110.3 51.5 -63.1 -41.7 41.9 24.3 21.5 23 23 A A H X S+ 0 0 19 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.924 111.5 46.6 -61.5 -46.4 41.3 23.2 25.1 24 24 A F H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-0.5 0.936 112.8 48.8 -62.5 -46.8 43.4 20.0 24.7 25 25 A R H ><5S+ 0 0 134 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.832 107.0 56.6 -63.1 -30.7 46.2 21.8 23.0 26 26 A A H 3<5S+ 0 0 89 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.836 104.4 53.6 -67.7 -31.2 46.2 24.4 25.7 27 27 A A T 3<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.346 127.2-102.7 -84.3 5.3 46.7 21.5 28.2 28 28 A G T < 5S+ 0 0 61 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.680 76.9 135.8 83.4 19.2 49.7 20.5 26.1 29 29 A R < - 0 0 93 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.791 55.5-123.2-102.5 143.4 48.1 17.5 24.3 30 30 A S - 0 0 46 -2,-0.3 60,-2.2 57,-0.0 59,-0.4 -0.663 34.1-159.6 -81.0 138.5 48.6 16.9 20.6 31 31 A V E -c 90 0A 6 -2,-0.3 2,-0.3 58,-0.2 60,-0.2 -0.969 18.5-178.8-129.2 138.2 45.3 16.7 18.8 32 32 A A E -c 91 0A 8 58,-2.1 60,-2.8 -2,-0.4 2,-0.4 -0.955 12.4-157.8-127.4 147.3 44.0 15.3 15.5 33 33 A T E -c 92 0A 78 -2,-0.3 2,-0.4 58,-0.2 60,-0.2 -0.983 9.6-178.2-131.4 142.0 40.4 15.5 14.2 34 34 A L E -c 93 0A 25 58,-2.3 60,-2.2 -2,-0.4 2,-0.4 -1.000 12.2-151.6-138.8 134.8 38.6 13.4 11.6 35 35 A A E -c 94 0A 52 -2,-0.4 60,-0.2 58,-0.2 61,-0.1 -0.900 17.1-117.3-115.5 139.0 35.0 13.9 10.4 36 36 A F S S+ 0 0 8 58,-2.3 2,-0.2 -2,-0.4 34,-0.0 -0.929 92.3 47.5-116.3 141.9 32.5 11.3 9.1 37 37 A P S S- 0 0 22 0, 0.0 2,-1.7 0, 0.0 -2,-0.1 0.540 81.9-144.2 -70.0 153.4 31.2 11.0 6.5 38 38 A R >> - 0 0 27 -2,-0.2 4,-2.3 2,-0.1 3,-0.7 -0.495 24.6-162.4 -86.3 67.8 34.5 11.3 4.7 39 39 A Y T 34 + 0 0 131 -2,-1.7 2,-1.0 1,-0.2 4,-0.1 -0.170 69.1 11.4 -53.2 141.7 33.1 13.2 1.7 40 40 A G T 34 S+ 0 0 64 2,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.207 124.6 62.9 84.5 -44.1 35.3 13.2 -1.4 41 41 A Q T <4 S+ 0 0 140 -2,-1.0 2,-0.5 -3,-0.7 -2,-0.2 0.817 102.9 49.0 -81.2 -33.2 37.6 10.7 0.1 42 42 A S X - 0 0 11 -4,-2.3 4,-2.1 1,-0.1 -2,-0.4 -0.944 61.3-160.0-116.3 121.9 35.0 7.9 0.3 43 43 A V H > S+ 0 0 106 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.889 97.7 56.4 -61.8 -40.6 32.8 6.9 -2.6 44 44 A A H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 107.5 48.5 -56.8 -46.7 30.4 5.3 -0.2 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 113.2 46.8 -60.8 -44.5 30.1 8.5 1.7 46 46 A D H X S+ 0 0 42 -4,-2.1 4,-2.8 -8,-0.2 5,-0.2 0.928 111.7 49.5 -65.8 -45.1 29.4 10.6 -1.4 47 47 A I H X S+ 0 0 54 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.909 110.8 51.9 -60.4 -40.7 26.8 8.1 -2.8 48 48 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.939 111.4 45.6 -61.3 -47.8 25.1 8.2 0.6 49 49 A A H < S+ 0 0 20 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.916 113.0 50.5 -61.8 -43.4 24.9 12.0 0.6 50 50 A E H ><>S+ 0 0 65 -4,-2.8 5,-2.2 1,-0.2 3,-1.6 0.896 107.5 54.1 -61.7 -40.8 23.8 12.1 -3.0 51 51 A A H ><5S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.854 104.4 55.1 -61.9 -35.2 21.1 9.5 -2.2 52 52 A L T 3<5S+ 0 0 7 -4,-1.7 112,-2.5 1,-0.3 -1,-0.3 0.477 106.3 53.7 -78.0 -0.7 19.9 11.8 0.6 53 53 A H T < 5S- 0 0 94 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.041 132.2 -82.7-119.7 24.6 19.5 14.6 -1.9 54 54 A G T < 5S+ 0 0 71 -3,-1.2 3,-0.2 1,-0.3 -3,-0.2 0.464 90.3 117.2 94.4 2.3 17.3 12.8 -4.4 55 55 A E < + 0 0 104 -5,-2.2 5,-0.4 1,-0.2 -1,-0.3 -0.399 50.2 41.4 -98.3 175.6 19.8 10.7 -6.4 56 56 A H S > S- 0 0 79 -2,-0.1 3,-2.0 3,-0.1 -1,-0.2 0.871 95.3-106.0 57.9 47.7 20.4 7.0 -7.0 57 57 A G T 3 S- 0 0 79 1,-0.2 3,-0.4 -3,-0.2 4,-0.1 -0.083 89.7 -6.0 45.8-123.7 16.8 5.8 -7.3 58 58 A D T > S+ 0 0 130 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.179 98.8 110.0 -91.1 17.8 15.4 3.9 -4.3 59 59 A L G X S+ 0 0 37 -3,-2.0 3,-1.8 1,-0.2 7,-0.3 0.944 76.5 48.4 -58.4 -53.3 18.7 3.8 -2.3 60 60 A A G 3 S+ 0 0 19 -5,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.672 96.5 73.6 -63.9 -16.9 17.7 6.2 0.5 61 61 A S G < S+ 0 0 89 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.3 0.688 84.1 78.6 -70.9 -17.2 14.4 4.3 1.0 62 62 A S <> - 0 0 50 -3,-1.8 4,-1.8 -4,-0.4 5,-0.2 -0.840 64.6-162.9 -97.0 120.0 16.3 1.5 2.6 63 63 A V H > S+ 0 0 18 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.924 93.3 44.5 -65.0 -44.9 17.3 2.2 6.2 64 64 A Y H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.798 108.4 57.6 -71.9 -28.5 19.9 -0.6 6.2 65 65 A A H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 109.7 44.7 -66.3 -45.4 21.3 0.3 2.8 66 66 A M H X S+ 0 0 0 -4,-1.8 4,-1.9 -7,-0.3 5,-0.2 0.926 113.2 50.3 -64.0 -45.0 22.1 3.9 4.1 67 67 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.887 108.5 54.2 -59.9 -38.9 23.6 2.5 7.3 68 68 A T H X S+ 0 0 51 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.901 105.7 51.7 -63.6 -41.4 25.7 0.2 5.3 69 69 A L H X S+ 0 0 28 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.917 111.4 46.6 -62.7 -43.0 27.2 3.0 3.2 70 70 A F H X S+ 0 0 28 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.854 113.4 49.9 -67.5 -32.7 28.2 5.0 6.3 71 71 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.873 108.6 51.7 -71.5 -38.4 29.7 1.8 7.8 72 72 A L H X S+ 0 0 91 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.828 107.2 54.1 -68.0 -31.6 31.7 1.1 4.6 73 73 A D H >< S+ 0 0 0 -4,-1.7 3,-0.5 -5,-0.2 4,-0.3 0.967 111.8 43.9 -65.0 -51.0 33.0 4.6 4.7 74 74 A R H >< S+ 0 0 6 -4,-1.9 3,-1.8 1,-0.2 4,-0.3 0.878 107.4 59.4 -61.9 -37.4 34.2 4.1 8.3 75 75 A A H >< S+ 0 0 31 -4,-2.5 3,-1.0 1,-0.3 4,-0.3 0.863 103.0 53.6 -59.7 -34.0 35.6 0.6 7.5 76 76 A G T << S+ 0 0 49 -4,-1.4 -1,-0.3 -3,-0.5 4,-0.2 0.540 106.1 54.4 -77.6 -5.0 37.8 2.3 4.9 77 77 A A T <> S+ 0 0 0 -3,-1.8 4,-2.9 -4,-0.3 -1,-0.2 0.328 74.1 101.5-108.5 4.4 39.1 4.7 7.6 78 78 A V H <> S+ 0 0 25 -3,-1.0 4,-2.6 -4,-0.3 5,-0.2 0.935 84.2 48.6 -54.9 -48.2 40.2 2.0 10.1 79 79 A H H > S+ 0 0 76 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.911 111.8 50.5 -58.1 -43.4 43.9 2.4 9.1 80 80 A T H > S+ 0 0 57 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.943 111.0 47.6 -60.2 -49.8 43.6 6.2 9.4 81 81 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.926 112.2 48.4 -59.8 -46.8 42.0 6.0 12.9 82 82 A Q H X S+ 0 0 122 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.913 112.8 50.1 -61.0 -40.5 44.7 3.6 14.2 83 83 A G H X S+ 0 0 44 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.898 110.0 49.0 -64.3 -41.8 47.4 5.8 12.7 84 84 A L H X S+ 0 0 33 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.893 109.2 52.3 -65.6 -40.3 46.0 8.9 14.3 85 85 A C H < S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.798 111.1 48.2 -66.4 -28.5 45.7 7.3 17.7 86 86 A R H < S+ 0 0 91 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.804 117.8 41.1 -80.6 -29.3 49.3 6.2 17.5 87 87 A G H < S+ 0 0 53 -4,-1.7 2,-0.3 -5,-0.1 -2,-0.2 0.706 113.8 44.3 -93.2 -21.3 50.5 9.7 16.4 88 88 A Y < - 0 0 102 -4,-2.3 -57,-0.1 -5,-0.1 3,-0.1 -0.885 67.7-132.2-126.3 157.4 48.5 12.0 18.7 89 89 A D S S+ 0 0 82 -59,-0.4 2,-0.4 -2,-0.3 -58,-0.2 0.880 98.5 25.4 -70.4 -38.7 47.5 12.2 22.4 90 90 A V E - c 0 31A 2 -60,-2.2 -58,-2.1 -6,-0.1 2,-0.5 -0.992 63.6-167.7-132.3 132.9 43.9 12.9 21.5 91 91 A V E -ac 2 32A 0 -90,-2.4 -88,-2.8 -2,-0.4 2,-0.5 -0.983 11.6-163.3-119.8 122.0 41.9 12.0 18.4 92 92 A I E -ac 3 33A 0 -60,-2.8 -58,-2.3 -2,-0.5 2,-0.4 -0.923 0.8-160.0-111.7 125.3 38.5 13.7 18.0 93 93 A L E -ac 4 34A 0 -90,-3.1 -88,-3.2 -2,-0.5 2,-1.1 -0.866 14.5-144.5-105.3 132.5 35.8 12.4 15.6 94 94 A D E S-ac 5 35A 29 -60,-2.2 -58,-2.3 -2,-0.4 -88,-0.1 -0.819 85.4 -11.6 -94.2 95.4 33.0 14.6 14.4 95 95 A R S S+ 0 0 24 -90,-2.0 -59,-0.2 -2,-1.1 2,-0.2 0.372 77.9 172.9 84.7 141.0 30.3 11.8 14.2 96 96 A Y >> - 0 0 0 -92,-0.1 3,-1.5 -3,-0.1 4,-0.7 -0.697 53.4 -40.6-152.3-154.4 31.1 8.1 14.5 97 97 A V H >> S+ 0 0 0 1,-0.3 4,-1.3 -2,-0.2 3,-0.8 0.813 124.4 63.4 -53.6 -37.4 29.4 4.7 14.8 98 98 A A H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.801 91.0 67.2 -61.0 -28.5 26.7 5.9 17.2 99 99 A S H <> S+ 0 0 10 -3,-1.5 4,-2.4 1,-0.2 5,-0.3 0.916 101.5 48.5 -57.0 -42.5 25.4 8.3 14.5 100 100 A N H S+ 0 0 0 -4,-2.4 5,-3.0 -5,-0.3 3,-0.3 0.932 114.0 51.7 -62.2 -44.3 16.8 3.2 15.1 106 106 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.4 -5,-0.3 -2,-0.2 0.894 105.8 52.9 -59.8 -44.0 14.9 6.5 14.6 107 107 A R H 3<5S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 114.6 43.9 -62.1 -30.4 14.0 5.8 11.0 108 108 A L T 3<5S- 0 0 62 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.329 112.3-119.1 -96.0 6.4 12.6 2.5 12.2 109 109 A H T < 5S+ 0 0 135 -3,-1.4 2,-0.2 -4,-0.2 -3,-0.2 0.863 70.2 135.4 56.7 38.2 10.8 4.0 15.2 110 110 A E < - 0 0 55 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.2 -0.673 49.5-127.1-108.7 166.1 12.9 1.7 17.5 111 111 A N > - 0 0 80 -2,-0.2 3,-2.0 -3,-0.1 6,-0.4 -0.443 39.7 -85.3-104.0-177.3 14.7 2.6 20.7 112 112 A A T 3 S+ 0 0 6 1,-0.3 66,-0.0 -2,-0.2 -7,-0.0 0.682 128.0 56.2 -63.2 -19.7 18.4 2.1 21.7 113 113 A A T 3 S+ 0 0 86 4,-0.1 -1,-0.3 5,-0.0 69,-0.0 0.331 94.9 108.0 -93.0 7.6 17.7 -1.5 22.9 114 114 A G S <> S- 0 0 19 -3,-2.0 4,-1.6 1,-0.0 5,-0.1 -0.027 85.4 -94.3 -80.4-177.8 16.3 -2.3 19.4 115 115 A K H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 116.8 52.8 -62.2 -47.8 17.3 -4.3 16.4 116 116 A A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 108.4 49.8 -58.9 -47.4 19.0 -1.6 14.4 117 117 A A H > S+ 0 0 1 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.917 113.3 47.2 -59.0 -43.8 21.3 -0.5 17.2 118 118 A A H X S+ 0 0 41 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.884 109.5 53.6 -65.3 -39.0 22.4 -4.1 17.8 119 119 A W H X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.906 107.8 50.6 -61.5 -43.7 23.0 -4.6 14.1 120 120 A V H X>S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.7 0.902 109.5 51.9 -61.6 -41.2 25.2 -1.5 14.0 121 121 A Q H X>S+ 0 0 46 -4,-1.9 5,-1.7 -5,-0.2 4,-0.9 0.950 112.9 43.9 -58.9 -51.6 27.1 -3.0 17.0 122 122 A R H <>S+ 0 0 145 -4,-2.6 5,-2.7 3,-0.2 -2,-0.2 0.886 120.9 39.5 -62.6 -42.2 27.7 -6.3 15.2 123 123 A I H <>S+ 0 0 27 -4,-2.7 5,-2.8 3,-0.2 6,-0.2 0.962 123.9 31.1 -75.0 -54.9 28.6 -4.9 11.9 124 124 A E H <5S+ 0 0 0 -4,-2.4 6,-2.5 -5,-0.2 -3,-0.2 0.954 129.2 28.3 -74.9 -52.1 30.8 -1.9 12.7 125 125 A F T < - 0 0 73 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.437 35.7-126.4 -67.9 143.9 16.3 21.0 21.5 143 143 A A H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.860 109.4 55.7 -58.0 -36.3 15.0 19.6 18.2 144 144 A E H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 109.2 43.5 -62.7 -51.3 13.6 23.0 17.3 145 145 A L H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.912 113.7 51.0 -62.7 -43.6 16.9 24.9 17.7 146 146 A A H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.924 111.6 48.6 -60.3 -43.7 18.9 22.2 15.8 147 147 A G H X S+ 0 0 27 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.903 106.7 55.4 -62.5 -42.3 16.3 22.3 13.0 148 148 A E H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.833 108.9 49.2 -59.8 -32.8 16.5 26.1 12.9 149 149 A R H X S+ 0 0 105 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.903 109.3 50.1 -74.3 -41.8 20.3 25.9 12.4 150 150 A S H X S+ 0 0 7 -4,-2.1 4,-1.4 -141,-0.2 -2,-0.2 0.903 114.5 45.5 -63.0 -40.3 20.0 23.3 9.6 151 151 A R H X S+ 0 0 148 -4,-2.5 4,-1.8 2,-0.2 3,-0.3 0.945 111.5 51.2 -67.9 -47.3 17.5 25.4 7.8 152 152 A G H X S+ 0 0 33 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.866 106.7 55.0 -58.0 -37.3 19.5 28.6 8.3 153 153 A R H X S+ 0 0 90 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.885 107.6 49.5 -64.0 -38.3 22.6 26.9 6.9 154 154 A A H < S+ 0 0 21 -4,-1.4 6,-0.2 -3,-0.3 -1,-0.2 0.818 106.5 55.9 -70.8 -31.3 20.7 26.0 3.7 155 155 A Q H < S+ 0 0 173 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.751 115.5 38.0 -72.4 -22.6 19.5 29.6 3.3 156 156 A R H < S+ 0 0 177 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.657 115.6 50.6-102.2 -20.2 23.0 30.9 3.3 157 157 A D >< - 0 0 77 -4,-1.7 3,-1.7 3,-0.2 -1,-0.2 -0.923 57.5-165.4-126.6 109.6 24.9 28.2 1.4 158 158 A P G > S+ 0 0 128 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.781 94.4 55.9 -60.2 -28.5 23.6 27.0 -2.0 159 159 A G G 3 S+ 0 0 74 1,-0.2 -5,-0.1 2,-0.0 -2,-0.0 0.082 101.1 65.5 -91.9 26.6 25.9 24.0 -1.9 160 160 A R G < + 0 0 37 -3,-1.7 -1,-0.2 -6,-0.2 -3,-0.2 -0.110 61.2 159.0-139.9 39.8 24.3 23.0 1.4 161 161 A A < - 0 0 49 -3,-0.5 -10,-0.1 1,-0.1 -6,-0.0 -0.365 53.5 -93.9 -62.6 145.9 20.6 22.2 0.8 162 162 A R - 0 0 48 -11,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.219 39.9-124.2 -60.9 150.9 19.2 20.1 3.6 163 163 A D > - 0 0 20 -3,-0.1 4,-1.3 1,-0.1 3,-0.3 -0.454 33.0 -91.5 -91.8 170.3 19.2 16.3 3.1 164 164 A N T 4 S+ 0 0 57 -112,-2.5 3,-0.2 1,-0.2 4,-0.1 0.831 126.1 50.4 -48.2 -41.7 16.2 14.0 3.4 165 165 A Y T >4 S+ 0 0 24 1,-0.2 3,-1.7 2,-0.2 7,-0.3 0.911 107.5 53.0 -66.8 -41.7 16.7 13.4 7.1 166 166 A E T 34 S+ 0 0 32 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.729 103.8 57.8 -65.8 -21.9 16.9 17.1 7.9 167 167 A R T 3< S+ 0 0 135 -4,-1.3 2,-0.7 -3,-0.2 -1,-0.3 0.444 92.5 78.5 -86.6 -1.2 13.6 17.7 6.1 168 168 A D <> - 0 0 69 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 -0.841 58.9-178.4-111.1 92.5 12.0 15.2 8.4 169 169 A A H > S+ 0 0 57 -2,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.869 82.6 50.6 -58.2 -42.1 11.4 17.1 11.7 170 170 A E H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 107.9 53.4 -66.0 -38.7 9.9 14.1 13.5 171 171 A L H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.926 108.2 50.5 -61.2 -42.8 12.8 11.9 12.5 172 172 A Q H X S+ 0 0 20 -4,-2.0 4,-2.0 -7,-0.3 -1,-0.2 0.903 110.1 50.9 -61.3 -40.6 15.2 14.5 14.0 173 173 A Q H X S+ 0 0 106 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.949 111.9 45.7 -61.0 -50.5 13.1 14.4 17.2 174 174 A R H X S+ 0 0 56 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.834 109.7 55.6 -62.6 -34.3 13.2 10.6 17.4 175 175 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.912 105.6 51.3 -66.1 -41.6 17.0 10.6 16.7 176 176 A G H X S+ 0 0 31 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.905 110.6 49.7 -61.0 -39.5 17.6 13.0 19.6 177 177 A A H X S+ 0 0 52 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.880 109.3 49.9 -67.9 -39.1 15.6 10.7 21.8 178 178 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.902 107.6 55.7 -66.5 -38.4 17.5 7.6 20.7 179 179 A Y H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 105.5 51.3 -58.1 -44.3 20.8 9.4 21.4 180 180 A A H X S+ 0 0 54 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.871 111.5 48.0 -61.3 -36.8 19.8 10.1 25.0 181 181 A E H X S+ 0 0 78 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.909 109.4 52.2 -70.0 -43.2 19.0 6.4 25.4 182 182 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-1.1 0.918 111.0 48.4 -58.6 -44.5 22.3 5.4 23.9 183 183 A A H ><5S+ 0 0 15 -4,-2.5 3,-0.7 1,-0.2 8,-0.4 0.934 111.4 48.2 -62.3 -47.0 24.2 7.7 26.3 184 184 A A H 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 113.6 49.4 -63.2 -29.7 22.2 6.4 29.4 185 185 A Q H 3<5S- 0 0 99 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.635 106.5-127.2 -83.1 -18.0 23.0 2.9 28.2 186 186 A G T X<5 - 0 0 33 -4,-1.1 3,-1.8 -3,-0.7 2,-0.2 0.870 36.0-165.8 69.8 35.1 26.7 3.5 27.7 187 187 A W T 3 < - 0 0 7 -5,-2.4 -1,-0.2 1,-0.3 -89,-0.1 -0.374 68.1 -5.9 -60.3 120.6 26.3 2.1 24.2 188 188 A G T 3 S- 0 0 7 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.458 137.4 -31.6 74.2 1.3 29.7 1.3 22.7 189 189 A G S < S- 0 0 28 -3,-1.8 -55,-0.1 -57,-0.1 2,-0.1 -0.838 98.0 -33.0 142.2-179.5 31.5 2.9 25.7 190 190 A R E -d 135 0A 152 -56,-0.5 -54,-1.4 -2,-0.3 2,-0.3 -0.418 56.5-160.6 -76.0 146.2 31.1 5.6 28.2 191 191 A W E -d 136 0A 21 -8,-0.4 2,-0.3 -56,-0.2 -54,-0.2 -0.749 13.4-156.4-119.0 168.0 29.2 8.8 27.3 192 192 A L E -d 137 0A 38 -56,-1.8 -54,-2.8 -2,-0.3 2,-0.5 -0.980 13.6-147.6-140.9 136.2 28.9 12.3 28.6 193 193 A V E +d 138 0A 90 -2,-0.3 2,-0.3 -56,-0.2 -54,-0.2 -0.954 28.2 165.4-111.4 124.7 25.9 14.5 27.8 194 194 A V E -d 139 0A 22 -56,-2.8 -54,-2.2 -2,-0.5 2,-0.2 -0.838 26.3-130.5-133.0 170.6 26.6 18.2 27.4 195 195 A G > - 0 0 23 -2,-0.3 3,-1.9 -56,-0.2 -54,-0.1 -0.641 39.0 -94.8-114.9 175.1 24.9 21.4 26.1 196 196 A A T 3 S+ 0 0 68 -56,-0.4 -55,-0.1 1,-0.3 -57,-0.0 0.697 122.6 60.1 -63.0 -18.6 26.1 24.2 23.9 197 197 A D T 3 S+ 0 0 152 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.432 76.0 132.3 -89.6 0.3 27.1 26.1 27.0 198 198 A V < - 0 0 33 -3,-1.9 3,-0.1 1,-0.1 -4,-0.0 -0.154 63.5-114.0 -53.8 143.5 29.6 23.5 28.1 199 199 A D > - 0 0 82 1,-0.2 4,-3.1 2,-0.0 5,-0.3 -0.738 16.7-151.9 -86.0 117.4 33.0 24.8 29.2 200 200 A P H > S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.871 94.7 54.0 -52.7 -43.6 35.8 23.6 26.8 201 201 A G H > S+ 0 0 42 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.933 114.6 38.4 -59.7 -48.7 38.4 23.7 29.5 202 202 A R H > S+ 0 0 190 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 114.8 53.3 -70.9 -41.0 36.5 21.6 32.0 203 203 A L H X S+ 0 0 7 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.924 110.4 48.4 -59.5 -43.0 35.1 19.2 29.3 204 204 A A H X S+ 0 0 5 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.858 109.6 52.6 -64.3 -36.7 38.7 18.6 28.1 205 205 A A H < S+ 0 0 68 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.896 109.6 49.4 -65.8 -40.5 39.8 18.0 31.7 206 206 A T H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 115.2 43.1 -64.3 -43.0 37.1 15.5 32.1 207 207 A L H < 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.799 360.0 360.0 -75.3 -30.5 38.0 13.7 28.9 208 208 A A < 0 0 57 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.510 360.0 360.0 -94.3 360.0 41.8 13.8 29.6