==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-OCT-08 2V54 . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS COPENHAGEN; . AUTHOR C.CAILLAT,D.TOPALIS,L.A.AGROFOGLIO,S.POCHET,J.BALZARINI, . 407 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 1 1 0 0 2 2 6 0 0 2 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 . 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 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 0 165 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.3 -2.5 -7.2 -4.0 2 2 A S + 0 0 108 194,-0.1 194,-0.1 82,-0.1 3,-0.1 -0.039 360.0 144.2-136.1 29.1 0.7 -7.1 -2.0 3 3 A R - 0 0 23 194,-0.3 81,-0.2 1,-0.1 80,-0.1 -0.020 56.8 -91.3 -60.4 171.1 2.1 -3.9 -3.4 4 4 A G - 0 0 2 79,-2.5 2,-0.3 83,-0.3 84,-0.2 -0.346 43.3-107.9 -80.1 169.7 4.0 -1.5 -1.2 5 5 A A - 0 0 0 81,-0.2 84,-2.7 -3,-0.1 2,-0.7 -0.746 15.1-139.2-100.6 150.0 2.3 1.3 0.6 6 6 A L E +a 89 0A 0 -2,-0.3 117,-3.0 82,-0.2 118,-1.3 -0.932 28.0 179.3-109.6 104.4 2.5 5.0 -0.4 7 7 A I E -ab 90 124A 0 82,-3.1 84,-3.6 -2,-0.7 2,-0.4 -0.948 7.3-164.8-113.4 122.5 2.8 6.9 2.9 8 8 A V E -ab 91 125A 0 116,-2.6 118,-2.4 -2,-0.5 2,-0.5 -0.857 7.7-153.6-110.3 139.4 3.2 10.7 2.8 9 9 A F E -ab 92 126A 0 82,-3.0 84,-2.2 -2,-0.4 2,-0.3 -0.942 18.7-180.0-110.4 130.4 4.2 13.1 5.7 10 10 A E E + b 0 127A 0 116,-2.8 118,-2.3 -2,-0.5 2,-0.2 -0.851 16.0 120.9-126.3 162.0 3.0 16.6 5.6 11 11 A G - 0 0 0 -2,-0.3 118,-0.1 116,-0.2 3,-0.1 -0.844 56.2 -72.1 159.9 165.3 3.5 19.6 7.9 12 12 A L > - 0 0 2 116,-0.5 3,-1.3 -2,-0.2 5,-0.3 -0.109 69.5 -72.4 -71.0 175.3 4.8 23.1 8.2 13 13 A D T 3 S+ 0 0 25 1,-0.3 124,-0.2 131,-0.2 -1,-0.2 -0.525 125.3 20.4 -67.8 138.4 8.5 23.9 8.2 14 14 A K T 3 S+ 0 0 82 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.768 82.8 127.1 73.5 24.9 10.0 22.8 11.5 15 15 A S S < S- 0 0 2 -3,-1.3 -2,-0.1 115,-0.1 -1,-0.1 0.535 79.2-117.6 -87.8 -7.7 7.2 20.3 12.2 16 16 A G S > S+ 0 0 31 -4,-0.2 4,-1.7 118,-0.1 5,-0.1 0.618 73.8 133.3 82.6 14.3 9.8 17.6 12.6 17 17 A K H > + 0 0 17 -5,-0.3 4,-1.6 1,-0.2 5,-0.2 0.891 68.7 54.9 -65.4 -40.3 8.5 15.5 9.7 18 18 A T H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.914 109.2 49.9 -59.0 -39.9 11.9 14.9 8.2 19 19 A T H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 107.7 53.2 -65.3 -38.3 12.9 13.5 11.6 20 20 A Q H X S+ 0 0 4 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.756 105.8 54.2 -69.5 -24.7 9.9 11.3 11.7 21 21 A C H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.3 -1,-0.2 0.890 105.1 52.7 -75.1 -39.5 10.8 9.8 8.3 22 22 A M H X S+ 0 0 113 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.962 109.0 51.2 -58.3 -50.6 14.3 8.9 9.5 23 23 A N H X S+ 0 0 39 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.952 111.5 45.5 -50.3 -58.7 12.7 7.1 12.5 24 24 A I H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 111.7 52.7 -54.8 -43.1 10.4 5.1 10.3 25 25 A M H >< S+ 0 0 52 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.881 111.9 46.5 -60.7 -37.7 13.1 4.3 7.8 26 26 A E H 3< S+ 0 0 145 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.809 110.4 52.2 -75.0 -31.0 15.3 3.0 10.7 27 27 A S T 3< S+ 0 0 54 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.097 101.9 70.7 -98.5 36.0 12.6 0.9 12.3 28 28 A I S < S- 0 0 17 -3,-0.7 5,-0.1 -5,-0.1 4,-0.1 -0.995 98.7 -73.6-151.9 144.7 11.5 -1.1 9.2 29 29 A P > - 0 0 90 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.109 44.3-139.6 -42.1 107.7 13.1 -3.8 6.9 30 30 A A G > S+ 0 0 91 1,-0.3 3,-1.2 2,-0.2 -3,-0.0 0.815 92.6 47.8 -35.4 -63.6 15.8 -2.2 4.9 31 31 A N G 3 S+ 0 0 78 1,-0.2 -1,-0.3 56,-0.0 3,-0.1 0.180 110.8 52.0 -75.9 19.9 15.3 -3.8 1.4 32 32 A T G < S+ 0 0 73 -3,-1.8 56,-2.2 1,-0.2 2,-0.4 0.372 101.8 56.5-133.5 2.0 11.6 -3.2 1.3 33 33 A I E < -c 88 0A 9 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 -0.999 58.1-168.7-142.3 135.4 11.1 0.5 2.0 34 34 A K E -c 89 0A 92 54,-2.6 56,-2.2 -2,-0.4 2,-0.4 -0.851 17.8-130.3-121.9 157.8 12.5 3.6 0.4 35 35 A Y E -c 90 0A 93 -2,-0.3 2,-0.4 54,-0.2 56,-0.2 -0.835 23.7-178.4-105.7 144.4 12.6 7.3 1.3 36 36 A L E -c 91 0A 6 54,-2.0 56,-2.7 -2,-0.4 2,-0.4 -0.975 5.2-165.5-145.6 129.0 11.5 10.0 -1.3 37 37 A N E -c 92 0A 34 -2,-0.4 56,-0.2 54,-0.2 57,-0.1 -0.926 16.1-117.3-122.1 142.8 11.6 13.7 -0.7 38 38 A F S S+ 0 0 4 54,-2.4 2,-0.1 -2,-0.4 30,-0.0 -0.977 99.7 44.0-123.3 138.6 10.0 16.6 -2.6 39 39 A P S S- 0 0 10 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.487 90.6-149.2 -66.1 141.2 11.3 18.8 -4.0 40 40 A Q > - 0 0 36 -2,-0.1 3,-1.0 28,-0.1 6,-0.3 -0.737 7.9-161.8 -90.2 98.4 13.5 16.1 -5.3 41 41 A R T 3 S+ 0 0 96 -2,-1.1 -1,-0.1 1,-0.2 -3,-0.1 0.270 70.5 84.1 -67.8 10.0 16.8 17.9 -5.8 42 42 A S T 3 S+ 0 0 93 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 0.342 84.1 65.8 -95.4 6.3 18.5 15.5 -8.2 43 43 A T S <> S- 0 0 22 -3,-1.0 4,-2.1 1,-0.1 5,-0.2 -0.710 93.6-103.7-119.7 173.5 16.8 16.8 -11.3 44 44 A V H > S+ 0 0 62 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 123.5 43.2 -65.0 -48.0 17.0 20.1 -13.2 45 45 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 112.3 57.3 -63.6 -35.8 13.7 21.4 -11.9 46 46 A G H > S+ 0 0 0 -6,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.882 108.1 44.8 -59.3 -41.3 14.8 20.1 -8.5 47 47 A K H X S+ 0 0 104 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.797 110.6 53.9 -74.5 -30.5 17.9 22.2 -8.6 48 48 A M H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 110.6 47.4 -68.1 -40.8 16.0 25.3 -9.8 49 49 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 109.9 52.4 -67.3 -37.6 13.7 24.9 -6.8 50 50 A D H X S+ 0 0 47 -4,-1.8 4,-1.8 1,-0.2 6,-0.2 0.885 108.7 51.5 -64.3 -35.2 16.7 24.5 -4.6 51 51 A D H < S+ 0 0 51 -4,-1.9 6,-0.3 1,-0.2 -1,-0.2 0.833 111.4 47.2 -69.2 -33.2 18.1 27.7 -6.0 52 52 A Y H >< S+ 0 0 18 -4,-1.7 3,-1.0 4,-0.2 5,-0.2 0.886 112.9 47.3 -74.7 -40.6 14.8 29.5 -5.3 53 53 A L H 3< S+ 0 0 8 -4,-2.4 90,-1.6 1,-0.2 -2,-0.2 0.815 110.7 52.1 -70.3 -33.0 14.5 28.2 -1.7 54 54 A T T 3< S- 0 0 50 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 0.067 113.3-117.1 -92.9 24.4 18.1 29.0 -0.8 55 55 A R S < S+ 0 0 141 -3,-1.0 2,-0.7 2,-0.2 -3,-0.1 0.164 83.8 117.8 67.5 -20.9 17.7 32.6 -2.0 56 56 A K S S+ 0 0 138 -2,-0.5 2,-0.2 -6,-0.2 -4,-0.2 0.134 80.4 14.2 -69.9 25.8 20.2 32.3 -4.8 57 57 A K - 0 0 99 -2,-0.7 2,-0.3 -6,-0.3 -2,-0.2 -0.754 69.0-137.1 169.4 142.6 17.7 32.9 -7.6 58 58 A T + 0 0 107 -2,-0.2 2,-0.3 -5,-0.0 -6,-0.1 -0.835 18.2 170.2-116.9 154.9 14.2 34.3 -8.2 59 59 A Y - 0 0 31 -2,-0.3 263,-0.1 -7,-0.1 -2,-0.0 -0.965 43.0 -87.1-151.3 157.1 11.1 33.3 -10.2 60 60 A N > - 0 0 64 261,-0.3 4,-2.2 -2,-0.3 5,-0.3 -0.309 42.9-109.1 -65.9 155.2 7.5 34.4 -10.3 61 61 A D H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 119.5 53.8 -50.0 -46.0 5.1 32.7 -7.9 62 62 A H H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 107.4 49.4 -57.8 -46.4 3.5 30.9 -10.9 63 63 A I H > S+ 0 0 0 255,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 111.2 47.5 -64.6 -42.2 6.7 29.5 -12.1 64 64 A V H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.937 109.5 56.3 -63.8 -42.0 7.8 28.1 -8.8 65 65 A N H X S+ 0 0 29 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.933 112.6 39.9 -52.7 -49.0 4.4 26.6 -8.3 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.819 110.6 58.5 -74.2 -28.4 4.7 24.7 -11.6 67 67 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.953 108.1 46.9 -62.9 -46.9 8.3 23.8 -11.0 68 68 A F H X S+ 0 0 31 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.907 115.0 46.8 -58.6 -45.0 7.3 22.1 -7.8 69 69 A C H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.901 113.1 46.7 -67.2 -41.7 4.4 20.3 -9.5 70 70 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.903 106.0 62.2 -66.1 -39.5 6.5 19.2 -12.5 71 71 A N H < S+ 0 0 0 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.920 106.7 43.9 -50.3 -48.5 9.2 18.1 -10.1 72 72 A R H >< S+ 0 0 5 -4,-1.7 3,-2.3 1,-0.2 4,-0.4 0.950 108.7 56.5 -64.1 -49.1 6.6 15.6 -8.6 73 73 A W H >< S+ 0 0 10 -4,-2.2 3,-1.3 1,-0.3 4,-0.4 0.810 94.8 67.5 -54.2 -30.2 5.4 14.4 -12.1 74 74 A E T 3< S+ 0 0 18 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.778 108.9 39.2 -59.9 -25.0 9.0 13.5 -13.0 75 75 A F T <> S+ 0 0 31 -3,-2.3 4,-3.2 -4,-0.5 -1,-0.3 0.367 81.7 103.6-107.3 6.7 8.7 10.8 -10.4 76 76 A A H <> S+ 0 0 15 -3,-1.3 4,-1.8 -4,-0.4 -1,-0.1 0.860 90.4 41.6 -56.5 -35.5 5.1 9.7 -11.0 77 77 A S H > S+ 0 0 50 -4,-0.4 4,-3.0 -3,-0.2 5,-0.2 0.900 111.9 53.0 -78.2 -44.0 6.5 6.6 -12.8 78 78 A F H > S+ 0 0 62 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.969 112.7 46.5 -53.5 -55.0 9.2 5.9 -10.3 79 79 A I H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.938 114.2 45.5 -52.3 -56.3 6.6 6.0 -7.5 80 80 A Q H X S+ 0 0 50 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.900 114.2 50.7 -56.0 -44.4 4.1 3.8 -9.3 81 81 A E H X S+ 0 0 107 -4,-3.0 4,-0.9 2,-0.2 -1,-0.2 0.924 109.3 48.5 -61.3 -49.7 6.8 1.3 -10.3 82 82 A Q H ><>S+ 0 0 29 -4,-2.6 5,-2.1 -5,-0.2 3,-1.0 0.929 110.8 51.9 -57.7 -47.0 8.3 0.9 -6.8 83 83 A L H ><5S+ 0 0 0 -4,-2.2 -79,-2.5 1,-0.3 3,-1.8 0.908 106.9 52.3 -57.6 -43.8 4.9 0.3 -5.3 84 84 A E H 3<5S+ 0 0 120 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.709 105.8 57.3 -67.0 -17.2 4.1 -2.4 -7.8 85 85 A Q T <<5S- 0 0 149 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.380 124.0-101.0 -94.3 3.3 7.4 -4.0 -6.8 86 86 A G T < 5S+ 0 0 30 -3,-1.8 2,-0.4 1,-0.3 -81,-0.2 0.379 79.0 136.9 94.4 -4.7 6.4 -4.3 -3.2 87 87 A I < - 0 0 30 -5,-2.1 2,-0.4 -6,-0.2 -83,-0.3 -0.633 46.4-142.5 -82.4 131.7 8.5 -1.3 -2.1 88 88 A T E - c 0 33A 3 -56,-2.2 -54,-2.6 -2,-0.4 2,-0.5 -0.736 11.7-144.4 -91.5 135.3 6.8 1.1 0.3 89 89 A L E -ac 6 34A 0 -84,-2.7 -82,-3.1 -2,-0.4 2,-0.8 -0.891 9.4-162.9-107.7 128.6 7.5 4.7 -0.2 90 90 A I E -ac 7 35A 0 -56,-2.2 -54,-2.0 -2,-0.5 2,-0.6 -0.931 24.0-160.3-103.0 105.5 7.8 7.1 2.8 91 91 A V E -ac 8 36A 0 -84,-3.6 -82,-3.0 -2,-0.8 2,-1.1 -0.829 16.7-149.0-104.3 121.6 7.3 10.5 1.1 92 92 A D E S-ac 9 37A 0 -56,-2.7 -54,-2.4 -2,-0.6 -82,-0.1 -0.724 77.4 -18.9 -85.1 99.0 8.4 13.8 2.6 93 93 A R S S+ 0 0 28 -84,-2.2 2,-0.2 -2,-1.1 -55,-0.1 0.433 73.2 175.3 74.9 143.6 5.9 16.2 1.2 94 94 A Y >> - 0 0 1 -86,-0.1 4,-1.8 -57,-0.1 3,-0.7 -0.619 56.6 -36.4-151.0-149.9 3.7 15.6 -1.8 95 95 A A H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.758 128.4 63.0 -57.4 -27.1 0.9 17.2 -3.8 96 96 A F H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.925 102.3 47.8 -66.9 -44.1 -0.6 18.5 -0.5 97 97 A S H <> S+ 0 0 9 -3,-0.7 4,-2.9 1,-0.2 5,-0.4 0.947 111.5 53.5 -58.2 -49.0 2.5 20.7 0.2 98 98 A G H X S+ 0 0 14 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.908 113.7 40.1 -52.0 -46.8 2.2 21.9 -3.3 99 99 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.910 116.1 50.0 -71.9 -42.8 -1.4 22.9 -3.0 100 100 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.956 116.1 40.1 -60.5 -52.8 -1.1 24.4 0.5 101 101 A Y H X S+ 0 0 19 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.851 115.1 50.8 -69.3 -34.9 1.9 26.5 -0.3 102 102 A A H <>S+ 0 0 5 -4,-1.7 5,-2.3 -5,-0.4 3,-0.4 0.950 114.5 44.2 -65.8 -48.0 0.7 27.7 -3.7 103 103 A A H ><5S+ 0 0 9 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.836 108.1 58.7 -65.0 -35.1 -2.7 28.7 -2.3 104 104 A A H 3<5S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.4 51.9 -63.2 -32.8 -1.0 30.3 0.7 105 105 A K T 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.494 138.0 -83.8 -81.8 -4.1 0.9 32.6 -1.7 106 106 A G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.267 85.1 131.5 122.7 -12.7 -2.4 33.5 -3.4 107 107 A A < - 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0 0 25 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.687 47.1-139.1 -87.6 135.7 26.1 31.4 -29.7 292 88 B T E - h 0 237C 6 -56,-2.8 -54,-2.3 -2,-0.4 2,-0.5 -0.761 13.8-142.5 -93.9 134.4 23.0 31.9 -31.7 293 89 B L E -fh 210 238C 0 -84,-1.6 -82,-2.6 -2,-0.4 2,-0.8 -0.853 11.1-164.3-106.0 125.0 20.0 29.7 -31.0 294 90 B I E -fh 211 239C 0 -56,-2.6 -54,-2.8 -2,-0.5 2,-0.6 -0.921 22.4-166.5-101.0 110.1 17.6 28.3 -33.6 295 91 B V E -fh 212 240C 0 -84,-2.9 -82,-3.0 -2,-0.8 2,-0.9 -0.906 17.3-149.4-111.7 117.5 14.6 27.1 -31.6 296 92 B D E S-fh 213 241C 1 -56,-2.5 -54,-3.0 -2,-0.6 -82,-0.1 -0.711 77.0 -15.0 -82.7 102.8 11.9 24.9 -33.0 297 93 B R S S+ 0 0 30 -84,-2.3 2,-0.2 -2,-0.9 -55,-0.2 0.480 75.7 170.4 72.8 140.7 8.7 25.9 -31.1 298 94 B Y >> - 0 0 0 -86,-0.1 4,-1.5 -57,-0.1 3,-1.0 -0.642 55.0 -33.2-152.2-151.3 8.8 28.0 -27.9 299 95 B A H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.789 127.1 62.2 -52.1 -31.8 6.6 29.9 -25.4 300 96 B F H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 101.2 50.2 -65.4 -39.4 4.2 30.9 -28.3 301 97 B S H <> S+ 0 0 9 -3,-1.0 4,-2.7 2,-0.2 5,-0.4 0.914 108.9 55.9 -62.2 -42.4 3.4 27.2 -29.0 302 98 B G H X S+ 0 0 15 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.937 113.6 36.6 -55.6 -52.3 2.6 26.8 -25.3 303 99 B V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.906 116.8 52.6 -70.0 -42.7 0.1 29.7 -25.1 304 100 B A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 56,-0.2 0.911 115.4 38.8 -62.0 -45.2 -1.4 29.0 -28.5 305 101 B Y H X S+ 0 0 18 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.826 116.1 50.8 -77.5 -31.5 -2.1 25.3 -27.9 306 102 B A H <>S+ 0 0 3 -4,-1.7 5,-2.3 -5,-0.4 4,-0.3 0.912 113.0 46.7 -68.7 -41.4 -3.2 25.7 -24.2 307 103 B A H ><5S+ 0 0 10 -4,-2.3 3,-1.5 3,-0.2 -2,-0.2 0.878 104.4 59.0 -69.0 -39.0 -5.7 28.4 -25.2 308 104 B A H 3<5S+ 0 0 10 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.2 51.5 -58.6 -31.6 -7.1 26.5 -28.1 309 105 B K T 3<5S- 0 0 47 -4,-1.0 -1,-0.3 -3,-0.1 -2,-0.2 0.608 135.9 -88.4 -79.8 -12.4 -8.0 23.9 -25.5 310 106 B G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.455 78.6 139.1 121.7 -0.1 -9.7 26.5 -23.3 311 107 B A < - 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0 0 15 -2,-0.4 4,-2.9 42,-0.1 5,-0.2 -0.228 43.7 -83.9 -92.2-174.1 -1.4 26.3 -47.1 336 132 B S H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 129.0 54.0 -59.8 -40.5 -4.0 23.7 -48.0 337 133 B K H > S+ 0 0 144 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.941 113.5 42.4 -60.7 -45.4 -1.4 21.0 -48.5 338 134 B E H >4 S+ 0 0 35 2,-0.2 3,-1.0 1,-0.2 -2,-0.2 0.939 114.7 50.0 -65.6 -48.6 0.0 21.6 -45.1 339 135 B I H >< S+ 0 0 25 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.912 110.1 50.7 -54.9 -47.2 -3.4 21.9 -43.4 340 136 B N H 3< S+ 0 0 101 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.612 93.1 74.7 -70.4 -13.0 -4.6 18.7 -45.0 341 137 B R T << S+ 0 0 123 -3,-1.0 2,-1.2 -4,-0.6 -1,-0.3 0.532 71.7 95.3 -77.9 -3.8 -1.6 16.9 -43.8 342 138 B N < + 0 0 8 -3,-1.5 9,-0.5 -4,-0.2 -1,-0.1 -0.735 43.6 151.9 -88.3 94.4 -3.1 16.9 -40.3 343 139 B V - 0 0 116 -2,-1.2 7,-0.2 7,-0.1 -1,-0.1 0.137 68.9 -88.1-114.8 20.0 -4.7 13.5 -40.3 344 140 B G S S+ 0 0 30 5,-1.7 6,-0.1 2,-0.2 -2,-0.1 0.560 82.0 132.2 89.7 10.5 -4.7 12.5 -36.6 345 141 B E S S+ 0 0 142 4,-0.2 2,-0.3 2,-0.0 -3,-0.1 0.916 78.8 29.5 -61.6 -45.8 -1.3 10.8 -36.3 346 142 B E S > S- 0 0 49 -88,-0.0 3,-1.6 -87,-0.0 -88,-0.2 -0.837 103.7 -97.9-111.1 155.4 -0.4 12.7 -33.2 347 143 B I T 3 S+ 0 0 49 -90,-2.5 -89,-0.1 -2,-0.3 -90,-0.1 0.594 117.4 41.3 -48.3 -21.3 -3.0 13.9 -30.7 348 144 B Y T 3 S+ 0 0 19 -91,-0.1 2,-2.8 1,-0.1 -1,-0.3 0.552 78.6 105.3-107.4 -6.9 -3.3 17.5 -32.0 349 145 B E < + 0 0 7 -3,-1.6 -5,-1.7 4,-0.1 2,-0.5 -0.378 47.1 129.6 -75.2 66.8 -3.2 17.0 -35.8 350 146 B D > - 0 0 82 -2,-2.8 4,-3.0 -7,-0.2 5,-0.2 -0.994 57.5-139.6-123.3 124.7 -6.9 17.7 -36.2 351 147 B V H > S+ 0 0 60 -9,-0.5 4,-2.0 -2,-0.5 -1,-0.2 0.926 101.5 44.0 -50.8 -55.5 -7.9 20.2 -38.8 352 148 B T H > S+ 0 0 98 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.806 115.5 48.4 -65.3 -28.6 -10.7 21.9 -36.8 353 149 B F H >> S+ 0 0 34 -3,-0.2 4,-1.5 2,-0.2 3,-0.6 0.907 108.0 55.5 -73.9 -42.1 -8.5 22.0 -33.6 354 150 B Q H 3X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.868 100.5 61.0 -57.1 -39.2 -5.6 23.4 -35.6 355 151 B Q H 3X S+ 0 0 80 -4,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.891 105.2 45.5 -58.3 -39.8 -7.9 26.2 -36.8 356 152 B K H - 0 0 34 -2,-0.7 3,-0.8 1,-0.2 -41,-0.1 -0.045 3.6-141.5 -47.8 141.9 4.0 33.1 -47.0 377 173 B S T 3 S+ 0 0 25 1,-0.2 -1,-0.2 -43,-0.1 -42,-0.1 0.422 96.7 73.9 -84.9 2.0 2.9 29.6 -47.9 378 174 B E T 3 S+ 0 0 163 2,-0.1 -1,-0.2 -43,-0.0 2,-0.2 0.564 74.5 95.6 -90.0 -13.1 2.9 30.7 -51.5 379 175 B F S < S- 0 0 82 -3,-0.8 2,-0.2 1,-0.1 -4,-0.0 -0.539 77.2-122.6 -76.6 145.9 6.7 30.8 -51.8 380 176 B E > - 0 0 135 -2,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.515 32.9 -94.3 -87.3 160.4 8.3 27.7 -53.2 381 177 B E H > S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.803 120.1 45.1 -40.7 -50.4 11.0 25.7 -51.3 382 178 B D H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 117.2 42.2 -68.2 -41.7 14.1 27.4 -52.7 383 179 B V H > S+ 0 0 61 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.858 117.2 49.5 -72.1 -33.6 12.9 31.0 -52.5 384 180 B K H X S+ 0 0 20 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.928 111.4 48.2 -67.9 -48.5 11.4 30.2 -49.0 385 181 B K H X S+ 0 0 89 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.900 115.2 46.0 -58.2 -43.5 14.7 28.6 -47.8 386 182 B E H X S+ 0 0 94 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.889 110.7 52.2 -68.4 -42.4 16.6 31.6 -49.2 387 183 B L H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.934 113.6 42.2 -60.4 -51.1 14.3 34.2 -47.7 388 184 B I H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.900 109.5 58.8 -63.5 -42.9 14.5 32.8 -44.2 389 185 B K H X S+ 0 0 64 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.893 111.2 44.7 -52.4 -39.8 18.2 32.2 -44.5 390 186 B N H X S+ 0 0 74 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.931 110.8 46.8 -73.7 -50.7 18.4 36.0 -45.1 391 187 B I H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.852 116.2 50.8 -62.0 -30.2 16.2 37.4 -42.4 392 188 B V H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.943 110.9 44.7 -70.1 -50.0 18.0 35.0 -40.1 393 189 B I H X S+ 0 0 59 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.922 115.0 50.6 -59.3 -43.3 21.5 36.1 -41.2 394 190 B E H < S+ 0 0 118 -4,-3.2 3,-0.2 1,-0.2 -1,-0.2 0.885 109.7 51.0 -60.9 -39.3 20.2 39.7 -41.0 395 191 B A H >< S+ 0 0 14 -4,-1.9 3,-1.3 -5,-0.2 4,-0.4 0.887 104.1 56.4 -67.0 -40.2 18.9 39.1 -37.5 396 192 B I H 3< S+ 0 0 33 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.797 108.6 49.6 -62.1 -29.0 22.2 37.6 -36.2 397 193 B H T 3< S+ 0 0 152 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.149 108.3 47.6-101.9 20.4 24.0 40.8 -37.2 398 194 B T S < S+ 0 0 80 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.252 75.6 129.5-136.7 7.1 21.8 43.5 -35.6 399 195 B V + 0 0 13 -4,-0.4 2,-0.3 -3,-0.3 -192,-0.1 -0.486 31.0 163.5 -69.9 127.7 21.4 42.0 -32.1 400 196 B T + 0 0 120 -2,-0.3 -2,-0.0 -194,-0.1 -3,-0.0 -0.964 30.2 27.4-145.1 161.1 22.2 44.5 -29.4 401 197 B G S S- 0 0 49 -2,-0.3 -194,-0.3 2,-0.1 3,-0.1 -0.147 94.0 -45.4 79.3 179.5 21.7 45.0 -25.7 402 198 B P S S- 0 0 119 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.214 72.3 -80.1 -77.2 173.8 21.2 42.3 -23.0 403 199 B V - 0 0 15 -119,-0.1 -2,-0.1 1,-0.1 -194,-0.0 -0.616 55.4-138.5 -74.1 127.2 19.0 39.3 -23.4 404 200 B G - 0 0 27 -79,-0.4 -79,-1.7 -2,-0.4 2,-0.5 -0.101 8.3-112.0 -80.3-177.2 15.4 40.4 -22.6 405 201 B Q B > -J 324 0D 100 -81,-0.2 3,-0.9 3,-0.1 -82,-0.1 -0.980 29.4-120.0-121.2 126.6 12.7 38.7 -20.5 406 202 B L T 3 S- 0 0 0 -83,-3.1 -84,-2.1 -2,-0.5 -83,-0.2 -0.396 86.1 -15.0 -66.3 136.0 9.5 37.5 -22.2 407 203 B W T 3 0 0 42 -86,-0.2 -1,-0.3 1,-0.2 -86,-0.1 0.824 360.0 360.0 35.4 53.9 6.3 39.0 -21.0 408 204 B M < 0 0 140 -3,-0.9 -1,-0.2 -87,-0.1 -3,-0.1 -0.820 360.0 360.0 -90.5 360.0 7.9 40.4 -17.9