==== 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 17-MAY-08 3D5U . COMPND 2 MOLECULE: POLO-LIKE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR R.A.ELLING,R.V.FUCINI,M.J.ROMANOWSKI . 288 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 0 0 1 0 2 0 0 0 0 1 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 . 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 23 A L 0 0 229 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.0 48.4 23.6 66.0 2 24 A K - 0 0 102 86,-0.0 2,-0.2 3,-0.0 86,-0.0 -0.954 360.0-136.2-137.3 113.5 46.7 25.5 63.1 3 25 A E - 0 0 175 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.508 26.8-115.6 -69.3 132.8 44.7 23.6 60.5 4 26 A I - 0 0 18 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.594 41.4-102.2 -71.5 123.0 45.4 24.8 56.9 5 27 A P - 0 0 45 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 -0.031 15.0-136.4 -44.8 142.2 42.1 26.4 55.5 6 28 A D S S+ 0 0 116 1,-0.2 13,-2.4 12,-0.1 2,-0.5 0.785 98.8 45.1 -71.6 -29.5 40.1 24.3 53.1 7 29 A V E S-A 18 0A 54 11,-0.2 2,-0.7 2,-0.0 11,-0.2 -0.980 79.6-152.6-117.6 122.5 39.7 27.4 50.9 8 30 A L E +A 17 0A 2 9,-4.1 9,-3.0 -2,-0.5 2,-0.3 -0.854 23.4 172.6 -99.3 114.2 42.9 29.5 50.3 9 31 A V E -A 16 0A 74 -2,-0.7 7,-0.1 7,-0.2 3,-0.0 -0.857 17.3-159.1-121.6 154.4 42.1 33.2 49.6 10 32 A D > - 0 0 6 5,-0.6 4,-1.4 -2,-0.3 5,-0.1 -0.997 23.4-133.9-133.9 141.5 44.2 36.3 49.2 11 33 A P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 0.806 101.9 52.0 -58.3 -32.2 43.3 40.1 49.6 12 34 A R T 4 S+ 0 0 175 1,-0.1 72,-0.1 3,-0.0 -3,-0.0 0.992 122.3 17.9 -69.4 -81.9 45.1 40.9 46.3 13 35 A T T 4 S- 0 0 67 1,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.713 86.8-146.8 -68.3 -23.2 43.9 38.6 43.4 14 36 A M < + 0 0 129 -4,-1.4 2,-0.3 1,-0.2 -1,-0.1 0.735 45.0 147.3 58.0 27.9 40.7 37.6 45.4 15 37 A K - 0 0 88 -5,-0.1 -5,-0.6 23,-0.0 2,-0.6 -0.671 46.2-130.7 -89.2 147.4 40.8 34.1 43.9 16 38 A R E -A 9 0A 137 -2,-0.3 21,-3.1 -7,-0.1 2,-0.6 -0.892 19.1-163.4-103.7 118.6 39.6 31.1 45.9 17 39 A Y E -AB 8 36A 11 -9,-3.0 -9,-4.1 -2,-0.6 2,-0.6 -0.899 10.5-145.1-106.2 116.4 41.9 28.1 46.0 18 40 A M E -AB 7 35A 107 17,-3.2 17,-2.4 -2,-0.6 2,-0.3 -0.692 19.2-132.9 -78.5 119.2 40.5 24.8 47.1 19 41 A R + 0 0 58 -13,-2.4 15,-0.2 -2,-0.6 3,-0.1 -0.590 37.3 169.6 -73.6 130.4 43.1 22.8 49.0 20 42 A G - 0 0 31 13,-0.4 14,-0.1 -2,-0.3 -1,-0.1 -0.082 33.0 -7.1-120.7-143.0 43.3 19.2 47.7 21 43 A R - 0 0 134 12,-0.2 12,-2.7 11,-0.2 -1,-0.3 -0.205 69.2-104.1 -67.3 144.6 45.4 16.0 48.0 22 44 A F E +C 32 0A 106 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.382 34.5 177.4 -64.9 138.8 48.7 15.9 49.8 23 45 A L E - 0 0 56 8,-2.8 2,-0.2 1,-0.4 9,-0.2 0.649 51.0 -75.4-115.5 -29.3 51.8 15.8 47.5 24 46 A G E -C 31 0A 25 7,-1.1 7,-2.8 2,-0.0 -1,-0.4 -0.828 39.8 -95.1 149.1 173.0 54.7 15.9 49.9 25 47 A K E -C 30 0A 178 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.863 18.0-165.6-123.3 156.7 56.9 18.0 52.3 26 48 A G E > -C 29 0A 48 3,-2.7 2,-2.0 -2,-0.3 3,-1.8 -0.788 64.3 -52.6-147.2 99.4 60.1 19.9 52.0 27 49 A G T 3 S- 0 0 99 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.491 126.4 -18.3 76.5 -76.9 62.1 21.1 55.1 28 50 A F T 3 S+ 0 0 47 -2,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.384 118.2 92.4-136.7 -9.6 59.2 23.0 56.8 29 51 A A E < -C 26 0A 8 -3,-1.8 -3,-2.7 19,-0.1 2,-0.4 -0.743 57.9-151.1 -98.1 138.4 56.7 23.5 54.0 30 52 A K E -CD 25 47A 106 17,-2.2 17,-2.7 -2,-0.4 2,-0.4 -0.887 13.7-143.2-107.5 139.7 53.9 21.1 53.1 31 53 A C E +CD 24 46A 31 -7,-2.8 -8,-2.8 -2,-0.4 -7,-1.1 -0.874 18.4 178.8-113.6 132.1 52.6 20.8 49.6 32 54 A Y E -CD 22 45A 35 13,-2.5 13,-3.1 -2,-0.4 2,-1.1 -0.957 36.2-113.0-130.2 146.3 49.0 20.3 48.4 33 55 A E E - D 0 44A 30 -12,-2.7 -13,-0.4 -2,-0.3 2,-0.3 -0.676 44.4-166.6 -77.2 101.3 47.3 20.0 45.0 34 56 A I E - D 0 43A 1 9,-1.5 9,-3.7 -2,-1.1 2,-0.4 -0.715 9.0-157.1 -99.1 142.8 45.2 23.2 44.9 35 57 A T E -BD 18 42A 37 -17,-2.4 -17,-3.2 -2,-0.3 2,-0.5 -0.951 22.7-120.0-120.1 135.4 42.4 24.1 42.4 36 58 A D E > -B 17 0A 0 5,-2.9 4,-2.2 -2,-0.4 -19,-0.2 -0.626 20.4-150.2 -70.5 117.5 41.1 27.5 41.4 37 59 A M T 4 S+ 0 0 61 -21,-3.1 -1,-0.2 -2,-0.5 -20,-0.1 0.687 92.1 40.7 -67.2 -18.9 37.4 27.4 42.4 38 60 A D T 4 S+ 0 0 134 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.914 127.3 24.8 -92.0 -58.3 36.5 29.8 39.6 39 61 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.676 93.1-130.4 -84.2 -19.4 38.6 28.7 36.6 40 62 A K < + 0 0 147 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.627 53.6 153.2 71.4 18.3 39.0 25.0 37.6 41 63 A E - 0 0 105 -5,-0.1 -5,-2.9 1,-0.0 2,-0.4 -0.601 39.4-132.9 -80.0 138.0 42.8 25.4 37.0 42 64 A V E +D 35 0A 44 -2,-0.3 54,-0.5 -7,-0.2 2,-0.2 -0.788 32.1 163.9-101.6 130.7 45.0 23.1 39.0 43 65 A F E -D 34 0A 25 -9,-3.7 -9,-1.5 -2,-0.4 2,-0.6 -0.800 40.1-106.0-132.8 172.6 48.2 24.3 40.8 44 66 A A E -DE 33 94A 8 50,-3.1 50,-3.2 -2,-0.2 2,-0.8 -0.933 30.6-154.1-106.0 113.8 50.6 23.2 43.4 45 67 A G E -DE 32 93A 2 -13,-3.1 -13,-2.5 -2,-0.6 2,-0.6 -0.800 3.6-161.2 -91.8 110.0 50.1 25.1 46.7 46 68 A K E -DE 31 92A 55 46,-2.9 46,-2.8 -2,-0.8 2,-0.6 -0.824 10.6-160.6 -89.5 120.8 53.3 25.3 48.8 47 69 A V E -DE 30 91A 2 -17,-2.7 -17,-2.2 -2,-0.6 44,-0.2 -0.911 11.2-177.7-113.1 114.4 52.3 26.1 52.4 48 70 A V E - E 0 90A 16 42,-2.4 42,-2.8 -2,-0.6 2,-0.2 -0.947 23.7-131.5-111.8 122.0 54.9 27.5 54.8 49 71 A P E >> - E 0 89A 32 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.486 10.3-132.9 -73.6 140.3 53.8 28.2 58.5 50 72 A K T 34 S+ 0 0 55 38,-3.3 3,-0.2 1,-0.3 39,-0.1 0.696 104.2 70.6 -63.9 -21.7 54.6 31.6 60.0 51 73 A S T 34 S+ 0 0 70 37,-0.4 3,-0.4 1,-0.2 -1,-0.3 0.693 97.2 52.0 -67.1 -20.7 55.9 29.7 63.1 52 74 A M T <4 S+ 0 0 39 -3,-1.8 2,-0.3 1,-0.2 3,-0.3 0.707 108.7 51.3 -85.0 -25.0 58.8 28.6 60.9 53 75 A L < + 0 0 27 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 -0.461 68.3 123.6-109.9 58.1 59.5 32.2 59.8 54 76 A L + 0 0 131 -3,-0.4 -1,-0.2 -2,-0.3 -2,-0.1 0.894 58.6 73.4 -78.7 -43.9 59.7 33.9 63.2 55 77 A K S >> S- 0 0 123 -3,-0.3 4,-1.5 1,-0.1 3,-0.8 -0.530 80.2-134.8 -76.2 134.7 63.3 35.3 62.7 56 78 A P H 3> S+ 0 0 98 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.688 107.7 62.3 -59.1 -21.5 63.7 38.3 60.3 57 79 A H H 3> S+ 0 0 87 2,-0.2 4,-1.3 1,-0.2 3,-0.0 0.869 105.2 44.2 -68.1 -40.9 66.7 36.3 58.9 58 80 A Q H <> S+ 0 0 82 -3,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.783 108.2 58.4 -75.2 -29.9 64.4 33.5 57.8 59 81 A K H X S+ 0 0 105 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.803 106.3 49.7 -67.0 -32.0 61.9 36.0 56.4 60 82 A E H X S+ 0 0 132 -4,-1.0 4,-2.1 2,-0.2 5,-0.2 0.894 103.2 57.6 -74.3 -43.8 64.5 37.4 54.1 61 83 A K H X S+ 0 0 90 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.847 112.4 41.9 -57.2 -38.1 65.7 34.0 52.7 62 84 A M H X S+ 0 0 29 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.815 110.3 57.0 -78.5 -33.3 62.2 33.3 51.5 63 85 A S H X S+ 0 0 75 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.802 109.6 46.3 -66.6 -31.1 61.7 36.8 50.2 64 86 A T H X S+ 0 0 63 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.901 112.6 49.8 -74.5 -45.0 64.8 36.4 48.0 65 87 A E H X S+ 0 0 34 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.902 112.6 47.1 -58.3 -46.1 63.7 33.0 46.8 66 88 A I H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.907 110.2 51.8 -65.5 -45.1 60.2 34.2 45.9 67 89 A A H X S+ 0 0 60 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.907 112.9 45.4 -58.5 -46.1 61.4 37.4 44.0 68 90 A I H < S+ 0 0 10 -4,-2.0 4,-0.4 1,-0.2 3,-0.2 0.945 114.7 46.8 -62.5 -51.0 63.8 35.3 41.9 69 91 A H H >< S+ 0 0 7 -4,-2.3 3,-0.9 1,-0.2 11,-0.3 0.831 108.2 57.6 -62.0 -34.9 61.2 32.6 41.1 70 92 A K H 3< S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 102.6 52.9 -62.3 -43.2 58.6 35.3 40.3 71 93 A S T 3< S+ 0 0 68 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.2 0.525 94.6 96.8 -71.7 -6.4 60.7 36.9 37.6 72 94 A L < + 0 0 7 -3,-0.9 8,-0.6 -4,-0.4 2,-0.3 -0.691 39.7 164.7 -94.8 136.6 61.2 33.4 35.9 73 95 A D + 0 0 136 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.810 22.9 130.5-150.1 105.6 59.1 32.1 32.9 74 96 A N > - 0 0 30 3,-0.3 3,-1.8 -2,-0.3 53,-0.0 -0.980 60.2-122.6-158.2 140.2 60.4 29.1 31.1 75 97 A P T 3 S+ 0 0 88 0, 0.0 52,-0.1 0, 0.0 4,-0.1 0.445 114.9 46.5 -66.9 1.3 59.1 25.7 29.8 76 98 A H T 3 S+ 0 0 23 50,-0.1 80,-2.8 79,-0.1 2,-0.4 0.162 102.5 71.9-127.0 15.1 61.9 24.0 31.8 77 99 A V B < S-g 156 0B 1 -3,-1.8 -3,-0.3 78,-0.3 2,-0.2 -0.967 96.6 -96.1-126.1 143.7 61.5 25.9 35.1 78 100 A V - 0 0 9 78,-3.4 2,-0.1 -2,-0.4 -6,-0.1 -0.449 48.4-115.7 -62.5 123.1 58.6 25.4 37.5 79 101 A G - 0 0 11 -2,-0.2 16,-1.8 17,-0.1 2,-0.5 -0.394 19.9-143.6 -66.8 132.4 56.1 28.2 36.8 80 102 A F E +F 94 0A 26 -8,-0.6 14,-0.2 -11,-0.3 3,-0.1 -0.850 21.3 174.3 -96.4 130.3 55.4 30.8 39.4 81 103 A H E - 0 0 95 12,-2.5 13,-0.1 -2,-0.5 -1,-0.1 -0.071 55.0 -61.1-131.8 34.3 51.8 32.0 39.6 82 104 A G E - 0 0 26 11,-0.1 11,-2.6 10,-0.0 -1,-0.4 -0.063 44.2-133.2 106.8 154.8 51.6 34.3 42.6 83 105 A F E +F 92 0A 66 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.988 23.5 162.9-142.9 152.4 52.1 34.2 46.4 84 106 A F E -F 91 0A 15 7,-2.6 7,-2.5 -2,-0.3 2,-0.3 -0.905 15.9-145.4-155.3-178.5 50.2 35.4 49.4 85 107 A E E -F 90 0A 110 5,-0.3 5,-0.2 -2,-0.3 2,-0.2 -0.996 5.4-163.8-154.6 149.9 49.8 35.1 53.2 86 108 A D - 0 0 52 3,-2.5 -76,-0.0 -2,-0.3 -36,-0.0 -0.493 56.8 -76.7-113.2-163.1 47.3 35.1 56.1 87 109 A D S S+ 0 0 147 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.488 129.5 27.5 -75.6 -1.3 48.1 35.5 59.9 88 110 A D S S+ 0 0 59 1,-0.3 -38,-3.3 -38,-0.1 -37,-0.4 0.661 119.9 31.0-127.3 -38.2 49.3 31.8 60.0 89 111 A F E -E 49 0A 11 -40,-0.3 -3,-2.5 -39,-0.1 2,-0.5 -0.892 54.7-140.2-131.7 156.5 50.6 30.7 56.7 90 112 A V E -EF 48 85A 5 -42,-2.8 -42,-2.4 -2,-0.3 2,-0.6 -0.984 25.6-155.9-114.6 119.5 52.4 31.9 53.5 91 113 A Y E -EF 47 84A 3 -7,-2.5 -7,-2.6 -2,-0.5 2,-0.6 -0.859 7.8-167.2-105.5 119.2 51.0 30.3 50.4 92 114 A V E -EF 46 83A 11 -46,-2.8 -46,-2.9 -2,-0.6 2,-0.8 -0.915 13.3-147.0-104.8 121.3 53.1 30.0 47.2 93 115 A V E +E 45 0A 1 -11,-2.6 -12,-2.5 -2,-0.6 2,-0.2 -0.790 29.0 172.8 -92.8 107.1 51.2 29.0 44.0 94 116 A L E -EF 44 80A 28 -50,-3.2 -50,-3.1 -2,-0.8 2,-0.2 -0.649 39.6 -84.9-111.7 166.5 53.4 26.9 41.8 95 117 A E - 0 0 48 -16,-1.8 2,-0.2 -2,-0.2 -52,-0.1 -0.514 53.8-109.3 -68.1 134.1 53.1 24.9 38.6 96 118 A I - 0 0 25 -54,-0.5 2,-0.4 -2,-0.2 -1,-0.1 -0.473 32.0-174.3 -74.1 131.3 51.8 21.4 39.3 97 119 A C > + 0 0 24 -2,-0.2 3,-0.6 52,-0.1 52,-0.2 -0.863 5.5 176.2-128.1 98.6 54.3 18.5 38.8 98 120 A R T 3 S+ 0 0 97 -2,-0.4 51,-0.2 1,-0.2 -1,-0.1 0.531 70.0 64.5 -84.6 -9.2 52.5 15.2 39.3 99 121 A R T 3 S- 0 0 87 49,-2.1 -1,-0.2 1,-0.3 50,-0.1 -0.081 95.0-134.2-108.0 34.0 55.3 12.8 38.4 100 122 A R < - 0 0 161 -3,-0.6 48,-3.0 47,-0.1 -1,-0.3 -0.086 42.8 -48.9 48.3-144.5 57.6 13.7 41.4 101 123 A S B > -H 147 0B 3 46,-0.3 4,-1.1 -3,-0.1 3,-0.5 -0.633 47.6 -99.7-119.2 176.5 61.3 14.3 40.7 102 124 A L H > S+ 0 0 0 44,-1.4 4,-2.0 41,-1.2 42,-0.2 0.635 116.2 68.4 -71.1 -14.9 64.2 12.7 38.9 103 125 A L H > S+ 0 0 53 40,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.909 98.2 48.2 -68.5 -45.5 65.4 11.4 42.3 104 126 A E H > S+ 0 0 60 -3,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.843 112.4 50.6 -64.3 -34.7 62.4 9.0 42.6 105 127 A L H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.906 109.3 51.7 -65.3 -43.8 63.1 7.9 39.1 106 128 A H H X S+ 0 0 24 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.903 109.5 47.3 -61.5 -46.8 66.8 7.3 40.0 107 129 A K H < S+ 0 0 141 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 118.3 42.6 -63.1 -37.4 66.0 5.1 43.1 108 130 A R H < S+ 0 0 163 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.826 128.4 27.3 -77.1 -34.8 63.5 3.0 41.1 109 131 A R H < S- 0 0 26 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.744 79.6-168.7-101.3 -29.4 65.6 2.7 37.9 110 132 A K S < S+ 0 0 140 -4,-3.0 2,-0.3 -5,-0.3 101,-0.3 -0.475 70.8 21.9 59.8-138.2 69.3 3.0 39.0 111 133 A A S S- 0 0 50 99,-0.4 98,-0.2 -2,-0.1 2,-0.1 -0.373 84.0-152.5 -59.2 116.1 71.4 3.4 35.9 112 134 A V - 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0 0 32 -2,-0.6 2,-1.8 11,-0.1 -14,-0.0 -0.878 17.5-162.3-125.7 98.6 76.1 30.4 50.5 176 198 A C + 0 0 69 -2,-0.4 2,-0.3 2,-0.1 -2,-0.1 -0.552 62.1 33.5 -83.5 77.7 73.6 30.2 53.4 177 199 A G S S- 0 0 38 -2,-1.8 -2,-0.1 2,-0.0 -16,-0.0 -0.923 84.0 -89.1 160.4 176.6 72.7 26.5 53.2 178 200 A T - 0 0 113 -2,-0.3 2,-0.1 -38,-0.0 -2,-0.1 -0.832 39.0-167.2-120.8 90.6 73.8 22.9 52.4 179 201 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 -39,-0.1 -0.358 23.5-123.8 -73.0 158.5 73.3 21.9 48.8 180 202 A N S S+ 0 0 99 1,-0.3 2,-0.9 -2,-0.1 -38,-0.1 0.999 97.7 28.7 -68.1 -72.5 73.6 18.3 47.6 181 203 A Y S S- 0 0 22 -40,-0.5 2,-0.4 19,-0.0 -1,-0.3 -0.828 83.4-175.4 -93.5 104.5 76.3 18.3 44.9 182 204 A I - 0 0 13 -2,-0.9 -42,-0.1 -3,-0.2 15,-0.0 -0.842 23.7-121.0-109.1 140.2 78.7 21.1 45.8 183 205 A A >> - 0 0 2 -2,-0.4 3,-1.4 1,-0.1 4,-1.2 -0.439 25.1-119.1 -72.9 146.6 81.6 22.4 43.8 184 206 A P H 3> S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 6,-0.2 0.808 110.6 63.5 -56.4 -35.3 85.1 22.4 45.5 185 207 A E H 34>S+ 0 0 14 1,-0.2 5,-1.3 2,-0.2 6,-0.8 0.755 102.5 50.3 -63.4 -26.0 85.4 26.2 45.2 186 208 A V H X45S+ 0 0 26 -3,-1.4 3,-0.8 3,-0.2 -1,-0.2 0.858 108.6 51.3 -76.5 -39.0 82.4 26.6 47.5 187 209 A L H 3<5S+ 0 0 44 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.797 112.0 46.7 -66.3 -31.4 83.9 24.2 50.1 188 210 A C T 3<5S- 0 0 69 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.439 105.7-130.1 -88.7 -2.0 87.1 26.2 50.1 189 211 A K T < 5 + 0 0 97 -3,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.655 65.5 137.6 57.8 19.9 85.2 29.5 50.4 190 212 A K S - 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0 0 23 0, 0.0 3,-1.2 0, 0.0 -9,-0.1 -0.284 32.6-123.9 -63.0 146.4 76.4 9.6 42.9 214 236 A P T 3 S+ 0 0 11 0, 0.0 19,-0.2 0, 0.0 -10,-0.0 0.727 108.8 27.5 -64.9 -26.9 80.1 10.3 42.1 215 237 A F T 3 S+ 0 0 11 17,-0.1 2,-0.3 2,-0.0 12,-0.1 -0.008 84.3 151.3-125.4 28.4 81.0 11.2 45.7 216 238 A E < + 0 0 132 -3,-1.2 2,-0.3 2,-0.0 3,-0.0 -0.468 13.0 150.0 -68.3 120.5 78.4 9.1 47.6 217 239 A T - 0 0 42 -2,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.985 54.0-124.7-149.9 147.8 79.6 8.0 51.1 218 240 A S S S+ 0 0 137 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.814 97.4 71.8 -59.3 -33.2 77.9 7.2 54.4 219 241 A C > - 0 0 64 1,-0.1 4,-1.2 -3,-0.0 -2,-0.1 -0.743 67.3-158.1 -90.7 132.7 80.1 9.8 56.1 220 242 A L H > S+ 0 0 113 -2,-0.4 4,-1.4 2,-0.2 -1,-0.1 0.859 94.9 52.3 -74.5 -39.0 79.5 13.5 55.4 221 243 A K H > S+ 0 0 166 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.855 108.6 51.7 -64.7 -37.4 83.1 14.5 56.3 222 244 A E H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.836 103.7 58.2 -68.7 -35.9 84.5 11.9 53.9 223 245 A T H X S+ 0 0 25 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.894 104.0 51.1 -61.2 -43.0 82.4 13.2 51.0 224 246 A Y H X S+ 0 0 50 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.819 106.9 53.7 -67.8 -32.7 83.8 16.7 51.3 225 247 A I H X S+ 0 0 65 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.938 106.9 52.6 -63.1 -47.4 87.4 15.4 51.2 226 248 A R H X>S+ 0 0 70 -4,-1.9 5,-3.4 1,-0.2 4,-0.6 0.888 112.0 45.4 -54.1 -45.5 86.6 13.5 48.0 227 249 A I H ><5S+ 0 0 6 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.944 113.0 49.5 -65.2 -50.5 85.3 16.7 46.4 228 250 A K H 3<5S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.903 117.6 40.0 -54.2 -47.4 88.2 18.8 47.6 229 251 A K H 3<5S- 0 0 147 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.572 110.8-125.0 -78.1 -10.5 90.8 16.2 46.2 230 252 A N T <<5 + 0 0 43 -3,-0.7 2,-0.9 -4,-0.6 -3,-0.2 0.886 46.3 172.8 63.7 44.3 88.6 15.7 43.1 231 253 A E < + 0 0 105 -5,-3.4 2,-0.3 -6,-0.2 -1,-0.2 -0.737 17.6 119.4 -94.6 101.9 88.4 12.0 43.8 232 254 A Y - 0 0 53 -2,-0.9 2,-0.4 -5,-0.0 -17,-0.1 -0.979 41.0-152.0-153.2 152.6 86.0 10.2 41.4 233 255 A S - 0 0 96 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.987 7.7-149.5-133.3 125.4 86.2 7.4 38.8 234 256 A V - 0 0 30 -2,-0.4 -2,-0.0 9,-0.0 9,-0.0 -0.845 35.0-117.7 -87.3 118.8 83.9 7.0 35.8 235 257 A P > - 0 0 44 0, 0.0 3,-1.4 0, 0.0 8,-0.1 -0.130 15.7-117.6 -56.3 152.7 83.8 3.2 35.1 236 258 A R T 3 S+ 0 0 223 1,-0.3 7,-0.1 7,-0.0 -2,-0.0 0.669 108.4 74.0 -65.4 -18.5 85.1 1.9 31.8 237 259 A H T 3 S+ 0 0 150 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.723 79.4 93.0 -67.6 -24.4 81.5 0.6 31.0 238 260 A I S < S- 0 0 24 -3,-1.4 5,-0.0 1,-0.1 -28,-0.0 -0.464 95.0 -90.3 -74.2 141.4 80.5 4.2 30.3 239 261 A N > - 0 0 46 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.269 30.2-131.8 -46.3 125.8 80.6 5.7 26.8 240 262 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.891 109.9 51.4 -47.9 -45.8 84.0 7.3 26.2 241 263 A V H > S+ 0 0 29 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.874 112.6 45.3 -60.6 -41.7 82.2 10.4 24.8 242 264 A A H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.908 112.3 50.0 -69.6 -44.5 80.0 10.6 27.9 243 265 A S H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.886 107.9 54.8 -62.9 -39.9 82.9 10.1 30.3 244 266 A A H X S+ 0 0 34 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.929 109.3 47.4 -55.8 -48.5 84.8 12.8 28.6 245 267 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.885 111.0 51.0 -62.0 -42.2 81.9 15.2 29.1 246 268 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.0 51.3 -61.8 -44.7 81.6 14.2 32.8 247 269 A R H < S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 111.7 46.4 -62.6 -38.2 85.3 14.8 33.4 248 270 A R H >< S+ 0 0 91 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.880 113.2 49.2 -71.8 -39.0 85.2 18.3 31.9 249 271 A M H 3< S+ 0 0 1 -4,-2.2 -47,-0.3 1,-0.2 -2,-0.2 0.813 114.7 45.9 -67.1 -32.2 82.0 19.2 33.8 250 272 A L T 3< S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 2,-0.2 -0.043 82.5 142.9-102.7 29.2 83.6 18.0 37.0 251 273 A H < - 0 0 77 -3,-1.1 6,-0.1 2,-0.1 5,-0.1 -0.494 54.6-133.7 -72.2 139.1 87.0 19.7 36.5 252 274 A A S S+ 0 0 52 -2,-0.2 -67,-0.1 -22,-0.1 -1,-0.1 0.846 93.1 73.5 -60.8 -38.2 88.6 21.1 39.6 253 275 A D S > S- 0 0 66 1,-0.1 3,-2.1 2,-0.0 4,-0.5 -0.733 75.4-152.3 -81.5 112.7 89.4 24.4 37.8 254 276 A P G > S+ 0 0 22 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.754 93.1 57.9 -57.0 -29.2 86.0 26.3 37.5 255 277 A T G 3 S+ 0 0 111 1,-0.2 4,-0.1 -3,-0.0 -3,-0.1 0.505 100.7 56.7 -83.3 -6.0 87.2 28.1 34.3 256 278 A L G < S+ 0 0 103 -3,-2.1 -1,-0.2 -5,-0.1 -4,-0.1 0.483 83.8 102.1-100.5 -7.2 87.9 24.8 32.5 257 279 A R S < S- 0 0 15 -3,-0.6 -8,-0.2 -4,-0.5 -58,-0.1 -0.551 84.9-100.6 -72.3 141.5 84.3 23.6 33.0 258 280 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.286 33.2-119.8 -63.4 146.0 82.1 24.0 29.9 259 281 A S >> - 0 0 55 1,-0.1 4,-1.1 -4,-0.1 3,-0.5 -0.414 31.0-103.1 -77.8 164.1 79.7 26.9 29.6 260 282 A V H >> S+ 0 0 14 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.888 122.0 52.1 -56.9 -44.1 76.0 26.2 29.3 261 283 A A H 3> S+ 0 0 54 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.807 106.4 55.1 -62.5 -32.4 75.9 27.0 25.5 262 284 A E H <4 S+ 0 0 104 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.752 98.9 64.0 -72.1 -26.2 78.8 24.6 25.0 263 285 A L H X< S+ 0 0 0 -4,-1.1 3,-1.5 -3,-0.7 6,-0.3 0.927 97.8 51.0 -66.4 -49.5 76.9 21.7 26.7 264 286 A L H 3< S+ 0 0 20 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 112.6 47.5 -56.5 -36.1 74.0 21.5 24.1 265 287 A T T 3< S+ 0 0 106 -4,-0.7 -1,-0.3 4,-0.1 -2,-0.2 0.350 85.3 122.8 -92.7 4.5 76.5 21.3 21.2 266 288 A D S X> S- 0 0 27 -3,-1.5 3,-1.7 -4,-0.2 4,-0.9 -0.332 76.4-111.5 -67.7 150.2 78.7 18.6 22.8 267 289 A E H >> S+ 0 0 115 1,-0.3 4,-2.7 2,-0.2 3,-1.1 0.846 112.2 69.1 -48.1 -43.3 79.3 15.3 21.0 268 290 A F H 3> S+ 0 0 0 -27,-0.3 4,-0.6 1,-0.3 -1,-0.3 0.790 105.6 39.8 -48.3 -36.5 77.3 13.4 23.6 269 291 A F H <4 S+ 0 0 13 -3,-1.7 -1,-0.3 -6,-0.3 -2,-0.2 0.675 122.9 39.9 -88.3 -19.4 74.1 15.0 22.4 270 292 A T H << S+ 0 0 101 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.1 0.596 107.9 58.4-106.8 -15.7 74.8 14.9 18.7 271 293 A S H < S+ 0 0 66 -4,-2.7 -3,-0.1 -5,-0.2 -2,-0.1 0.906 104.7 32.1 -86.0 -45.9 76.5 11.5 18.2 272 294 A G S < S- 0 0 34 -4,-0.6 2,-0.3 -5,-0.3 0, 0.0 -0.296 100.2 -55.8-107.1-171.7 73.9 9.0 19.5 273 295 A Y - 0 0 163 -2,-0.1 -155,-0.2 1,-0.0 -1,-0.1 -0.497 46.4-179.3 -72.0 126.6 70.1 8.5 19.7 274 296 A A - 0 0 43 -2,-0.3 -158,-0.1 -156,-0.1 -1,-0.0 -0.845 14.8-150.8-131.2 94.3 68.3 11.4 21.5 275 297 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.326 8.6-147.2 -65.1 145.3 64.5 10.9 21.7 276 298 A M S S+ 0 0 150 1,-0.1 2,-0.3 -2,-0.0 0, 0.0 0.658 81.8 34.0 -85.7 -18.9 62.3 14.0 21.8 277 299 A R - 0 0 186 -124,-0.0 -1,-0.1 2,-0.0 -125,-0.1 -0.974 63.8-156.4-136.9 150.8 59.7 12.4 24.1 278 300 A L - 0 0 15 -127,-0.5 2,-0.1 -2,-0.3 -162,-0.0 -0.989 19.5-128.0-125.3 137.9 59.6 9.8 27.0 279 301 A P > - 0 0 68 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.477 28.5-113.0 -76.7 155.5 56.7 7.7 28.1 280 302 A T G > S+ 0 0 60 1,-0.3 3,-1.3 2,-0.1 4,-0.2 0.588 108.6 81.3 -65.4 -10.2 55.7 7.6 31.8 281 303 A S G >> S+ 0 0 48 1,-0.3 4,-2.8 2,-0.2 3,-2.1 0.751 71.8 77.9 -64.1 -26.5 56.9 4.0 31.9 282 304 A C G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.593 77.1 74.8 -61.9 -12.6 60.5 5.3 32.3 283 305 A L G <4 S+ 0 0 32 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.761 119.2 9.1 -67.4 -26.3 59.6 6.0 35.9 284 306 A T T <4 S+ 0 0 60 -3,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.672 130.3 28.8-125.4 -37.1 59.8 2.2 36.6 285 307 A V S < S- 0 0 73 -4,-2.8 -1,-0.3 3,-0.0 -176,-0.1 -0.899 79.6 -98.2-131.6 155.4 61.3 0.4 33.6 286 308 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.395 50.5 -96.1 -64.6 150.8 63.6 1.1 30.6 287 309 A P 0 0 53 0, 0.0 -171,-0.1 0, 0.0 -9,-0.0 -0.480 360.0 360.0 -70.2 141.2 62.1 2.0 27.2 288 310 A R 0 0 293 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.322 360.0 360.0-109.1 360.0 61.6 -0.9 24.8