==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-08 3DB8 . COMPND 2 MOLECULE: POLO-LIKE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR R.A.ELLING,E.J.HANAN,W.LEW,M.J.ROMANOWSKI . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 0 1 1 1 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 2 1 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 . 1 0 1 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 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 24 A K 0 0 201 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.1 110.0 47.9 63.2 2 25 A E - 0 0 159 1,-0.1 3,-0.0 0, 0.0 0, 0.0 -0.488 360.0-127.6 -78.2 136.2 111.1 45.6 60.4 3 26 A I - 0 0 20 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.763 43.9-103.8 -78.5 121.4 110.1 46.2 56.7 4 27 A P - 0 0 46 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.097 15.9-131.5 -50.6 139.1 108.6 42.8 55.6 5 28 A D S S+ 0 0 108 1,-0.1 13,-2.8 12,-0.1 2,-0.4 0.859 98.7 38.1 -60.3 -37.8 110.8 40.7 53.3 6 29 A V E S-A 17 0A 60 11,-0.2 2,-0.6 27,-0.0 11,-0.3 -0.954 77.8-151.8-116.2 136.6 107.8 40.2 51.0 7 30 A L E +A 16 0A 4 9,-4.3 9,-3.1 -2,-0.4 2,-0.4 -0.927 16.1 178.8-114.8 112.6 105.4 43.1 50.3 8 31 A V E -A 15 0A 81 -2,-0.6 7,-0.2 7,-0.2 76,-0.0 -0.872 12.7-151.1-110.4 145.0 101.8 42.2 49.3 9 32 A D > - 0 0 7 5,-1.0 4,-0.8 -2,-0.4 5,-0.1 -0.891 18.1-133.0-114.7 146.6 98.9 44.6 48.6 10 33 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 73,-0.1 0.877 99.7 47.7 -60.8 -39.5 95.2 44.1 49.1 11 34 A R T 4 S+ 0 0 89 1,-0.2 72,-0.1 2,-0.0 0, 0.0 0.992 124.5 18.6 -68.4 -83.1 94.3 45.5 45.6 12 35 A T T 4 S- 0 0 79 1,-0.1 -1,-0.2 2,-0.0 -4,-0.0 0.679 89.9-144.1 -64.6 -19.2 96.4 43.8 42.8 13 36 A M < + 0 0 126 -4,-0.8 2,-0.3 1,-0.2 -1,-0.1 0.885 45.8 148.7 48.4 46.8 97.3 41.0 45.3 14 37 A K - 0 0 89 -5,-0.1 -5,-1.0 -7,-0.0 2,-0.5 -0.693 46.3-123.1-100.7 159.4 100.9 40.8 43.9 15 38 A R E -A 8 0A 30 -2,-0.3 21,-3.4 -7,-0.2 2,-0.6 -0.924 21.2-166.4-110.6 120.8 103.9 39.8 45.9 16 39 A Y E -AB 7 35A 10 -9,-3.1 -9,-4.3 -2,-0.5 2,-0.6 -0.925 10.4-148.4-109.4 119.1 106.9 42.2 46.0 17 40 A M E -AB 6 34A 106 17,-3.0 17,-1.7 -2,-0.6 2,-0.6 -0.759 17.2-132.4 -88.1 118.0 110.3 40.9 47.3 18 41 A R E + B 0 33A 56 -13,-2.8 15,-0.2 -2,-0.6 3,-0.1 -0.594 39.4 167.3 -73.7 113.8 112.3 43.6 49.1 19 42 A G E - 0 0 28 13,-2.6 14,-0.1 -2,-0.6 -1,-0.1 0.210 38.0 -2.5-104.1-138.5 115.8 43.4 47.7 20 43 A R E S- 0 0 149 11,-0.1 12,-2.8 1,-0.1 -1,-0.3 -0.171 72.2-106.7 -64.0 144.1 118.9 45.6 47.9 21 44 A F E + B 0 31A 100 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.375 34.5 178.8 -64.2 145.5 118.9 49.0 49.6 22 45 A L E - 0 0 60 8,-2.5 2,-0.3 1,-0.4 9,-0.2 0.638 47.9 -69.3-124.0 -29.0 119.0 52.0 47.3 23 46 A G E - B 0 30A 23 7,-1.4 7,-2.6 2,-0.0 -1,-0.4 -0.965 41.0-105.5 159.9-173.0 118.9 55.1 49.4 24 47 A K E - B 0 29A 175 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.974 10.2-164.6-147.2 158.8 116.9 57.3 51.8 25 48 A G E > - B 0 28A 45 3,-3.8 3,-2.5 -2,-0.3 2,-0.7 -0.834 62.7 -59.9-149.8 108.0 115.0 60.7 51.9 26 49 A G T 3 S- 0 0 96 1,-0.3 0, 0.0 -2,-0.3 0, 0.0 -0.418 124.3 -14.0 60.8-103.4 113.9 62.3 55.2 27 50 A F T 3 S+ 0 0 47 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.2 0.628 123.4 89.9 -98.0 -21.1 111.7 59.7 56.8 28 51 A A E < -B 25 0A 13 -3,-2.5 -3,-3.8 19,-0.1 2,-0.4 -0.556 56.7-163.8 -86.3 141.3 111.3 57.6 53.6 29 52 A K E -BC 24 46A 102 17,-2.5 17,-3.1 -5,-0.3 2,-0.4 -0.972 8.8-143.7-125.0 139.5 113.6 54.8 52.6 30 53 A C E +BC 23 45A 33 -7,-2.6 -8,-2.5 -2,-0.4 -7,-1.4 -0.880 18.1 176.4-111.5 131.6 114.0 53.2 49.1 31 54 A Y E -BC 21 44A 41 13,-2.0 13,-3.2 -2,-0.4 2,-0.6 -0.958 37.4-109.2-128.1 146.7 114.6 49.5 48.2 32 55 A E E - C 0 43A 30 -12,-2.8 -13,-2.6 -2,-0.3 2,-0.3 -0.658 43.2-165.3 -71.2 113.9 114.8 47.6 45.0 33 56 A I E -BC 18 42A 1 9,-3.2 9,-3.5 -2,-0.6 2,-0.4 -0.827 8.4-155.1-107.1 147.3 111.7 45.5 44.9 34 57 A T E -BC 17 41A 37 -17,-1.7 -17,-3.0 -2,-0.3 2,-0.5 -0.977 21.0-124.2-123.4 128.6 110.9 42.5 42.6 35 58 A D E > -B 16 0A 2 5,-2.8 4,-2.2 -2,-0.4 -19,-0.2 -0.603 22.7-146.6 -67.0 120.2 107.5 41.2 41.5 36 59 A M T 4 S+ 0 0 86 -21,-3.4 -1,-0.2 -2,-0.5 -20,-0.1 0.653 92.1 39.8 -70.5 -16.8 107.7 37.6 42.6 37 60 A D T 4 S+ 0 0 139 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.888 128.0 26.5 -94.4 -53.8 105.5 36.4 39.7 38 61 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.640 92.7-135.4 -86.1 -17.2 106.7 38.5 36.7 39 62 A K < + 0 0 142 -4,-2.2 -3,-0.1 1,-0.2 2,-0.1 0.541 50.0 154.7 69.5 10.2 110.2 39.1 38.1 40 63 A E - 0 0 109 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.437 39.2-128.5 -72.5 143.4 109.9 42.7 37.0 41 64 A V E +C 34 0A 39 -7,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.792 31.3 169.3-105.4 131.9 112.0 45.2 39.0 42 65 A F E -C 33 0A 22 -9,-3.5 -9,-3.2 -2,-0.4 2,-0.7 -0.923 37.0-114.2-135.6 158.1 110.8 48.3 40.7 43 66 A A E -CD 32 93A 10 50,-2.2 50,-1.8 -2,-0.3 2,-0.8 -0.867 31.9-153.6 -94.6 115.4 111.9 51.0 43.1 44 67 A G E -CD 31 92A 2 -13,-3.2 -13,-2.0 -2,-0.7 2,-0.7 -0.804 3.6-157.0 -98.2 106.7 109.9 50.8 46.3 45 68 A K E -CD 30 91A 52 46,-2.6 46,-2.6 -2,-0.8 2,-0.6 -0.737 15.6-161.5 -80.2 113.0 109.6 54.0 48.3 46 69 A V E -CD 29 90A 3 -17,-3.1 -17,-2.5 -2,-0.7 44,-0.2 -0.879 11.0-178.3-103.9 120.1 108.8 52.8 51.9 47 70 A V E - D 0 89A 16 42,-2.8 42,-3.8 -2,-0.6 2,-0.2 -0.977 23.4-130.7-119.6 124.6 107.3 55.4 54.3 48 71 A P E >> - D 0 88A 30 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.543 11.4-135.1 -74.7 135.8 106.5 54.4 57.9 49 72 A K T 34 S+ 0 0 57 38,-3.6 39,-0.1 1,-0.3 38,-0.1 0.674 102.0 72.0 -61.7 -19.0 103.0 55.4 59.2 50 73 A S T >4 S+ 0 0 83 37,-0.4 3,-0.8 1,-0.2 -1,-0.3 0.768 94.8 51.8 -67.8 -28.2 104.7 56.7 62.3 51 74 A M T <4 S+ 0 0 41 -3,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.770 111.7 48.1 -75.1 -28.4 106.0 59.6 60.3 52 75 A L T 3< S+ 0 0 34 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 -0.184 72.4 119.3-103.0 38.0 102.4 60.2 59.1 53 76 A L < + 0 0 144 -3,-0.8 -1,-0.2 4,-0.1 -2,-0.1 0.851 64.3 71.8 -68.0 -35.5 100.9 60.0 62.6 54 77 A K S > S- 0 0 116 -3,-0.4 4,-1.4 -4,-0.1 3,-0.5 -0.692 84.2-139.0 -78.8 131.4 99.7 63.6 62.1 55 78 A P T 4 S+ 0 0 109 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.758 100.6 61.6 -63.0 -27.7 96.8 63.8 59.5 56 79 A H T >> S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.880 106.2 44.1 -64.0 -42.0 98.3 67.0 58.0 57 80 A Q H 3> S+ 0 0 83 -3,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.800 106.6 61.6 -72.2 -31.0 101.5 65.1 57.0 58 81 A K H 3X S+ 0 0 40 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.542 101.7 54.8 -71.2 -8.9 99.4 62.2 55.7 59 82 A E H <> S+ 0 0 106 -3,-0.7 4,-2.3 -4,-0.2 5,-0.2 0.827 97.7 60.6 -88.1 -40.7 97.9 64.7 53.2 60 83 A K H X S+ 0 0 121 -4,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.828 109.6 43.0 -56.6 -36.1 101.3 65.8 51.7 61 84 A M H X S+ 0 0 30 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.862 111.1 52.9 -80.0 -37.9 101.9 62.2 50.6 62 85 A S H X S+ 0 0 64 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.796 110.9 49.3 -67.8 -28.0 98.4 61.6 49.3 63 86 A T H X S+ 0 0 60 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.931 110.7 49.7 -69.7 -48.8 98.7 64.8 47.2 64 87 A E H X S+ 0 0 36 -4,-1.6 4,-2.9 -5,-0.2 5,-0.2 0.918 113.4 46.2 -54.6 -49.2 102.1 63.6 45.9 65 88 A I H X S+ 0 0 11 -4,-2.8 4,-3.6 1,-0.2 5,-0.2 0.931 109.2 53.7 -60.5 -48.4 100.6 60.3 45.0 66 89 A A H X S+ 0 0 64 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.788 115.4 41.5 -59.5 -30.1 97.5 61.8 43.3 67 90 A I H X S+ 0 0 9 -4,-1.7 4,-0.5 -3,-0.2 -2,-0.2 0.914 118.6 42.8 -81.7 -48.9 99.8 63.9 41.1 68 91 A H H >< S+ 0 0 8 -4,-2.9 3,-0.9 1,-0.2 11,-0.3 0.854 109.8 60.5 -64.5 -36.4 102.4 61.3 40.3 69 92 A K H 3< S+ 0 0 67 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.906 102.4 50.4 -56.3 -48.1 99.6 58.7 39.8 70 93 A S H 3< S+ 0 0 80 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.624 94.5 102.1 -67.0 -16.7 98.1 60.7 36.9 71 94 A L << + 0 0 15 -3,-0.9 8,-0.5 -4,-0.5 2,-0.2 -0.448 37.1 165.8 -83.6 143.5 101.4 61.0 35.1 72 95 A D + 0 0 139 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.781 23.7 126.8-154.1 107.0 102.7 59.1 32.1 73 96 A N > - 0 0 35 3,-0.4 3,-2.2 -2,-0.2 53,-0.0 -0.929 61.3-121.1-163.9 135.9 105.8 60.4 30.2 74 97 A P T 3 S+ 0 0 88 0, 0.0 52,-0.1 0, 0.0 3,-0.1 0.353 114.6 47.1 -61.2 6.7 109.2 58.9 29.1 75 98 A H T 3 S+ 0 0 23 50,-0.1 80,-3.6 51,-0.1 2,-0.4 0.257 100.3 71.8-132.2 7.5 110.9 61.7 31.2 76 99 A V B < S-f 155 0B 3 -3,-2.2 -3,-0.4 78,-0.3 80,-0.2 -0.973 98.2 -95.1-120.1 138.8 109.0 61.5 34.4 77 100 A V - 0 0 9 78,-3.5 2,-0.1 -2,-0.4 -6,-0.1 -0.310 48.8-110.3 -53.8 126.3 109.5 58.5 36.8 78 101 A G - 0 0 19 -6,-0.1 16,-1.6 -4,-0.1 2,-0.4 -0.364 24.5-142.1 -61.6 134.0 106.8 55.9 36.1 79 102 A F E +E 93 0A 28 -8,-0.5 14,-0.2 -11,-0.3 3,-0.1 -0.819 19.8 178.5 -94.1 139.8 104.2 55.4 38.7 80 103 A H E - 0 0 93 12,-2.1 13,-0.1 -2,-0.4 -1,-0.1 -0.135 53.2 -71.5-137.9 41.3 103.0 51.8 39.2 81 104 A G E - 0 0 36 -16,-0.1 11,-1.8 10,-0.1 -1,-0.3 0.360 44.7-133.3 84.5 143.5 100.5 51.9 42.0 82 105 A F E +E 91 0A 100 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.719 24.8 164.1-120.5 173.7 100.8 52.4 45.8 83 106 A F E -E 90 0A 16 7,-2.0 7,-2.5 -2,-0.2 2,-0.3 -0.954 16.2-140.4-170.8-172.5 99.5 50.7 48.9 84 107 A E E -E 89 0A 104 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.989 7.6-162.5-161.6 146.7 99.8 50.2 52.7 85 108 A D - 0 0 55 3,-2.1 -36,-0.1 -2,-0.3 -76,-0.0 -0.574 58.7 -78.3-111.8-169.3 99.7 47.9 55.6 86 109 A D S S+ 0 0 149 -2,-0.2 3,-0.1 1,-0.2 -37,-0.0 0.782 127.7 30.5 -60.7 -27.3 99.3 49.0 59.2 87 110 A D S S+ 0 0 67 1,-0.2 -38,-3.6 -39,-0.1 -37,-0.4 0.839 118.3 31.8-103.6 -43.1 103.0 50.0 59.5 88 111 A F E -D 48 0A 12 -40,-0.3 -3,-2.1 -39,-0.1 2,-0.5 -0.917 56.7-140.5-127.6 148.5 104.3 51.2 56.1 89 112 A V E -DE 47 84A 4 -42,-3.8 -42,-2.8 -2,-0.3 2,-0.5 -0.932 25.9-155.4-102.7 127.0 103.1 53.0 53.0 90 113 A Y E -DE 46 83A 5 -7,-2.5 -7,-2.0 -2,-0.5 2,-0.6 -0.904 11.0-169.0-113.3 122.4 104.6 51.5 49.8 91 114 A V E -DE 45 82A 10 -46,-2.6 -46,-2.6 -2,-0.5 2,-0.5 -0.922 13.8-149.7-112.5 109.4 105.0 53.4 46.5 92 115 A V E +D 44 0A 1 -11,-1.8 -12,-2.1 -2,-0.6 2,-0.2 -0.657 29.2 170.4 -80.6 123.2 106.0 51.2 43.6 93 116 A L E -DE 43 79A 23 -50,-1.8 -50,-2.2 -2,-0.5 2,-0.2 -0.777 38.4 -79.8-132.5 170.4 108.1 53.2 41.0 94 117 A E - 0 0 49 -16,-1.6 2,-0.6 -2,-0.2 -52,-0.1 -0.529 50.7-114.7 -73.7 135.9 110.3 52.9 37.9 95 118 A I - 0 0 30 -54,-0.5 2,-0.8 -2,-0.2 -1,-0.1 -0.620 27.2-172.3 -83.0 114.1 113.8 51.7 38.6 96 119 A C > - 0 0 18 -2,-0.6 3,-1.0 1,-0.1 51,-0.3 -0.799 5.3-178.8-104.7 92.4 116.6 54.3 37.8 97 120 A R T 3 S+ 0 0 102 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.568 70.6 62.5 -74.0 -11.2 119.7 52.3 38.2 98 121 A R T 3 S- 0 0 90 49,-2.5 -1,-0.3 1,-0.3 50,-0.2 0.077 98.1-132.1-104.1 24.2 122.3 55.1 37.5 99 122 A R < - 0 0 148 -3,-1.0 48,-2.0 48,-0.2 -1,-0.3 -0.085 43.2 -40.5 54.7-156.6 121.3 57.3 40.4 100 123 A S B >> -G 146 0B 6 46,-0.2 4,-1.1 -3,-0.1 3,-0.5 -0.553 49.9-107.5-102.7 166.6 120.7 61.0 40.1 101 124 A L H 3> S+ 0 0 0 44,-1.9 4,-2.2 41,-1.2 42,-0.2 0.568 115.7 69.1 -68.4 -9.4 122.4 63.8 38.1 102 125 A L H 3> S+ 0 0 56 40,-0.8 4,-3.0 2,-0.2 -1,-0.2 0.932 96.3 49.6 -71.2 -50.2 123.7 65.0 41.5 103 126 A E H <> S+ 0 0 54 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.875 113.1 49.6 -53.5 -40.0 126.0 62.0 41.8 104 127 A L H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.944 110.4 48.0 -65.9 -50.4 127.2 62.7 38.3 105 128 A H H X S+ 0 0 23 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.897 111.5 50.9 -57.1 -44.1 127.8 66.4 39.0 106 129 A K H < S+ 0 0 146 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.917 117.6 39.1 -59.3 -44.3 129.7 65.5 42.2 107 130 A R H < S+ 0 0 163 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.757 129.6 30.7 -76.4 -26.4 131.9 63.0 40.3 108 131 A R H < S- 0 0 25 -4,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.686 77.7-169.0-106.9 -23.8 132.2 65.2 37.1 109 132 A K S < S+ 0 0 143 -4,-3.2 2,-0.7 -5,-0.3 76,-0.2 -0.489 73.5 20.2 54.9-125.9 132.1 68.8 38.3 110 133 A A S S- 0 0 51 74,-0.3 73,-0.2 -2,-0.2 72,-0.1 -0.576 82.6-157.9 -76.0 111.0 131.7 70.9 35.1 111 134 A V - 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0 0 49 0, 0.0 3,-1.2 0, 0.0 -9,-0.1 -0.329 32.7-127.8 -63.4 141.0 125.6 75.9 42.1 188 236 A P T 3 S+ 0 0 17 0, 0.0 19,-0.2 0, 0.0 -10,-0.0 0.756 105.7 28.9 -63.1 -31.0 125.0 79.7 41.4 189 237 A F T 3 S+ 0 0 12 17,-0.1 2,-0.3 2,-0.0 11,-0.2 0.148 88.5 140.0-116.0 17.1 123.8 80.6 44.9 190 238 A E < + 0 0 126 -3,-1.2 2,-0.3 10,-0.1 3,-0.1 -0.456 17.2 150.7 -67.9 123.3 125.7 77.9 46.8 191 239 A T - 0 0 41 -2,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.957 54.7-116.2-143.9 159.8 127.3 79.1 50.1 192 240 A S S S+ 0 0 128 -2,-0.3 2,-0.4 4,-0.0 -1,-0.1 0.949 101.2 69.9 -57.8 -50.4 128.1 77.3 53.4 193 241 A C S > S- 0 0 71 1,-0.1 4,-1.3 -3,-0.1 -2,-0.1 -0.594 70.4-155.5 -79.9 124.6 125.5 79.5 55.3 194 242 A L H > S+ 0 0 120 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.867 94.6 53.9 -64.9 -41.8 121.9 78.7 54.4 195 243 A K H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.870 105.0 56.1 -62.0 -36.8 120.6 82.2 55.4 196 244 A E H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.872 103.0 55.2 -62.3 -38.9 123.2 83.7 53.0 197 245 A T H X S+ 0 0 28 -4,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.914 105.7 50.9 -60.3 -45.7 121.8 81.6 50.1 198 246 A Y H X S+ 0 0 133 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.838 111.7 48.2 -62.6 -34.6 118.3 83.0 50.7 199 247 A I H X S+ 0 0 60 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.933 110.4 51.0 -68.1 -48.3 119.8 86.6 50.7 200 248 A R H <>S+ 0 0 77 -4,-2.7 5,-3.5 2,-0.2 4,-0.5 0.886 113.6 45.8 -54.3 -44.4 121.7 85.7 47.4 201 249 A I H ><5S+ 0 0 65 -4,-2.7 3,-0.8 3,-0.2 -2,-0.2 0.960 114.9 45.7 -64.8 -53.5 118.4 84.5 45.9 202 250 A K H 3<5S+ 0 0 153 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.924 118.2 41.9 -56.3 -49.8 116.3 87.4 47.0 203 251 A K T 3<5S- 0 0 141 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.571 111.1-125.7 -73.5 -8.4 118.9 90.0 46.0 204 252 A N T < 5 + 0 0 45 -3,-0.8 2,-0.9 -4,-0.5 -3,-0.2 0.892 46.5 172.1 61.3 44.4 119.4 87.9 42.8 205 253 A E < + 0 0 100 -5,-3.5 2,-0.3 -6,-0.2 -1,-0.2 -0.752 18.8 115.6 -95.0 101.1 123.1 87.7 43.5 206 254 A Y - 0 0 49 -2,-0.9 2,-0.3 -5,-0.0 -17,-0.1 -0.943 40.9-155.0-148.0 165.3 124.9 85.4 41.1 207 255 A S - 0 0 94 -2,-0.3 -2,-0.0 -19,-0.2 3,-0.0 -0.869 12.3-141.5-151.5 116.8 127.6 85.8 38.4 208 256 A V - 0 0 30 -2,-0.3 -2,-0.0 9,-0.1 9,-0.0 -0.641 34.5-117.7 -71.1 119.8 128.3 83.6 35.4 209 257 A P > - 0 0 54 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.253 19.4-116.7 -56.9 150.6 132.1 83.4 35.0 210 258 A R T 3 S+ 0 0 222 1,-0.3 7,-0.1 -3,-0.0 -2,-0.1 0.672 107.0 76.2 -64.0 -19.6 133.4 84.8 31.6 211 259 A H T 3 S+ 0 0 159 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.634 78.1 93.7 -67.8 -17.5 134.7 81.3 30.7 212 260 A I S < S- 0 0 27 -3,-1.5 -28,-0.0 1,-0.1 -4,-0.0 -0.525 93.1 -89.5 -81.6 144.3 131.1 80.2 29.8 213 261 A N > - 0 0 53 -2,-0.2 4,-3.5 1,-0.1 3,-0.3 -0.292 29.7-133.1 -52.4 126.1 129.7 80.4 26.3 214 262 A P H > S+ 0 0 98 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.874 108.5 48.6 -47.5 -46.8 128.0 83.8 25.6 215 263 A V H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.852 115.2 45.5 -64.5 -36.9 124.9 82.1 24.1 216 264 A A H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.925 112.4 49.1 -72.4 -47.8 124.8 79.8 27.1 217 265 A S H X S+ 0 0 13 -4,-3.5 4,-2.8 2,-0.2 -2,-0.2 0.868 108.7 56.2 -59.2 -39.0 125.3 82.5 29.7 218 266 A A H X S+ 0 0 34 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.953 109.0 44.6 -56.3 -54.5 122.5 84.5 27.9 219 267 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.914 113.0 51.7 -57.7 -46.6 120.0 81.7 28.3 220 268 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.959 108.4 51.6 -55.0 -53.6 121.0 81.1 31.9 221 269 A R H < S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.869 110.3 47.9 -50.9 -46.0 120.5 84.8 32.7 222 270 A R H >< S+ 0 0 94 -4,-2.1 3,-0.8 1,-0.2 -1,-0.3 0.843 111.2 51.4 -66.0 -34.9 117.0 84.9 31.2 223 271 A M H 3< S+ 0 0 1 -4,-2.1 -47,-0.3 -3,-0.3 -1,-0.2 0.811 114.9 42.9 -70.2 -30.8 116.1 81.8 33.1 224 272 A L T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.236 85.7 144.7 -99.2 12.1 117.3 83.3 36.4 225 273 A H < - 0 0 73 -3,-0.8 6,-0.1 -5,-0.2 -3,-0.1 -0.183 54.8-131.1 -57.7 141.6 115.7 86.7 35.7 226 274 A A S S+ 0 0 66 1,-0.1 -1,-0.1 -22,-0.1 -22,-0.0 0.833 95.0 70.5 -63.1 -37.2 114.4 88.6 38.7 227 275 A D S >> S- 0 0 65 1,-0.1 3,-2.6 2,-0.0 4,-0.5 -0.774 74.3-154.4 -86.1 108.8 111.1 89.3 37.0 228 276 A P G >4 S+ 0 0 49 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.737 93.6 58.4 -55.3 -27.2 109.2 86.0 36.7 229 277 A T G 34 S+ 0 0 106 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.580 101.8 55.3 -81.3 -10.2 107.3 87.2 33.7 230 278 A L G <4 S+ 0 0 106 -3,-2.6 -1,-0.2 -5,-0.1 -5,-0.1 0.454 83.5 102.0-100.1 -4.5 110.5 87.8 31.8 231 279 A R S << S- 0 0 38 -3,-0.6 -8,-0.2 -4,-0.5 -9,-0.1 -0.537 84.8 -99.8 -71.8 146.9 111.8 84.3 32.3 232 280 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.289 34.6-112.8 -69.8 154.6 111.3 82.1 29.1 233 281 A S > - 0 0 52 1,-0.1 4,-1.2 -3,-0.1 3,-0.3 -0.461 29.1-107.5 -78.9 159.7 108.4 79.7 28.7 234 282 A V H >> S+ 0 0 16 1,-0.2 4,-1.1 2,-0.2 3,-1.0 0.919 122.5 50.0 -51.5 -50.1 109.0 75.9 28.6 235 283 A A H 3> S+ 0 0 54 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.841 108.2 54.4 -58.9 -35.5 108.2 75.9 24.9 236 284 A E H 34 S+ 0 0 104 -3,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.705 99.1 64.2 -72.2 -22.2 110.7 78.8 24.3 237 285 A L H X< S+ 0 0 1 -4,-1.2 3,-1.6 -3,-1.0 6,-0.3 0.947 97.6 51.5 -67.5 -51.6 113.5 76.9 26.0 238 286 A L H 3< S+ 0 0 22 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 110.8 49.2 -53.2 -40.5 113.8 74.0 23.5 239 287 A T T 3< S+ 0 0 105 -4,-0.8 -1,-0.3 4,-0.1 -2,-0.2 0.476 84.0 125.7 -83.4 -3.7 114.0 76.4 20.6 240 288 A D S X> S- 0 0 28 -3,-1.6 3,-1.5 -4,-0.3 4,-1.4 -0.185 75.0-114.2 -59.3 148.0 116.7 78.6 22.2 241 289 A E H 3> S+ 0 0 113 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.859 112.4 69.4 -46.8 -42.1 120.0 79.2 20.2 242 290 A F H 3> S+ 0 0 1 -27,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.822 107.2 35.1 -48.3 -41.0 121.8 77.2 22.9 243 291 A F H <4 S+ 0 0 12 -3,-1.5 -1,-0.2 -6,-0.3 -2,-0.2 0.789 123.6 42.2 -85.4 -29.9 120.2 73.9 21.8 244 292 A T H < S+ 0 0 98 -4,-1.4 -2,-0.2 -3,-0.2 -3,-0.2 0.649 110.1 52.6 -96.3 -19.7 120.0 74.5 18.1 245 293 A S H < S+ 0 0 72 -4,-2.8 -3,-0.1 -5,-0.2 -2,-0.1 0.948 104.7 46.9 -83.9 -52.3 123.4 76.1 17.4 246 294 A G S < S- 0 0 29 -4,-0.6 2,-0.3 -5,-0.4 0, 0.0 -0.154 100.3 -70.2 -87.0 179.1 125.9 73.7 18.9 247 295 A Y - 0 0 167 1,-0.0 -130,-0.2 -2,-0.0 -1,-0.1 -0.526 45.7-171.4 -71.8 130.8 126.3 69.9 18.7 248 296 A A - 0 0 40 -2,-0.3 -133,-0.1 -131,-0.1 2,-0.1 -0.936 12.8-144.6-129.5 108.1 123.7 67.9 20.6 249 297 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.393 4.5-153.3 -67.1 146.4 124.1 64.2 21.1 250 298 A M S S+ 0 0 157 1,-0.1 2,-0.3 -2,-0.1 0, 0.0 0.686 82.4 32.6 -90.2 -23.3 121.0 62.0 21.0 251 299 A R - 0 0 183 -99,-0.0 -1,-0.1 0, 0.0 -100,-0.1 -0.949 66.3-158.0-130.2 152.5 122.6 59.4 23.3 252 300 A L - 0 0 16 -102,-0.4 2,-0.0 -2,-0.3 -100,-0.0 -0.997 19.3-125.4-129.6 137.8 125.2 59.4 26.1 253 301 A P > - 0 0 62 0, 0.0 3,-1.0 0, 0.0 4,-0.1 -0.263 25.6-115.0 -70.5 164.2 127.4 56.6 27.3 254 302 A T G > S+ 0 0 60 1,-0.2 3,-2.4 2,-0.1 4,-0.2 0.717 108.0 80.7 -70.7 -21.6 127.5 55.5 30.9 255 303 A S G >> S+ 0 0 46 1,-0.3 4,-3.0 2,-0.2 3,-2.3 0.743 73.6 78.1 -54.2 -25.5 131.1 56.7 31.1 256 304 A C G <4 S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.653 77.3 72.1 -61.5 -18.3 129.6 60.1 31.5 257 305 A L G <4 S+ 0 0 25 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.706 120.7 9.5 -67.1 -20.4 129.0 59.2 35.2 258 306 A T T <4 S+ 0 0 57 -3,-2.3 -2,-0.2 1,-0.4 -3,-0.1 0.668 129.8 24.6-130.6 -41.7 132.8 59.4 35.8 259 307 A V S < S- 0 0 75 -4,-3.0 -1,-0.4 -148,-0.0 -151,-0.1 -0.938 82.7 -93.3-132.4 153.7 134.7 61.0 32.8 260 308 A P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.329 48.5-107.9 -61.9 148.5 133.9 63.3 29.8 261 309 A P 0 0 44 0, 0.0 -146,-0.1 0, 0.0 -9,-0.0 -0.377 360.0 360.0 -78.0 157.9 132.8 61.6 26.6 262 310 A R 0 0 301 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.500 360.0 360.0-118.9 360.0 135.0 61.4 23.4