==== 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 31-MAY-08 3DBF . COMPND 2 MOLECULE: POLO-LIKE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR R.A.ELLING,J.ZHU,K.J.BARR,M.J.ROMANOWSKI . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.1 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 . 42 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.4 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 . 74 28.4 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+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 1 0 2 0 0 1 1 0 0 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 2 1 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 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.2 42.4 131.0 19.0 2 25 A E - 0 0 136 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.252 360.0-137.1 -59.1 134.1 43.2 128.3 21.6 3 26 A I - 0 0 20 1,-0.1 -1,-0.1 84,-0.0 4,-0.1 -0.855 39.2-100.5 -90.3 126.5 42.3 124.7 21.0 4 27 A P - 0 0 42 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 -0.089 16.0-136.2 -53.7 142.3 40.8 123.3 24.2 5 28 A D S S+ 0 0 93 12,-0.1 13,-3.1 1,-0.0 2,-0.4 0.770 96.5 39.6 -68.6 -29.5 43.1 121.1 26.4 6 29 A V E S-A 17 0A 60 11,-0.2 2,-0.5 27,-0.0 11,-0.2 -0.939 78.8-148.2-118.2 146.4 40.1 118.7 26.8 7 30 A L E +A 16 0A 6 9,-2.9 9,-2.6 -2,-0.4 2,-0.3 -0.949 22.2 168.9-123.0 114.0 37.7 117.7 24.0 8 31 A V - 0 0 84 -2,-0.5 7,-0.2 7,-0.2 -2,-0.0 -0.813 15.2-153.8-119.7 159.1 34.1 116.9 24.7 9 32 A D > - 0 0 4 5,-0.5 4,-1.1 -2,-0.3 76,-0.1 -0.993 24.7-132.0-136.7 143.5 30.9 116.4 22.6 10 33 A P T 4 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 0.730 104.4 51.0 -58.7 -24.2 27.2 116.8 23.1 11 34 A R T 4 S+ 0 0 82 1,-0.1 72,-0.1 3,-0.1 -2,-0.0 0.949 122.4 14.8 -79.0 -87.1 26.7 113.4 21.4 12 35 A T T 4 S- 0 0 74 1,-0.1 3,-0.1 2,-0.1 -1,-0.1 0.675 85.5-144.1 -67.3 -18.8 28.9 110.6 22.9 13 36 A M < + 0 0 130 -4,-1.1 2,-0.3 1,-0.2 -1,-0.1 0.766 48.6 143.3 53.3 32.6 29.7 112.7 26.0 14 37 A K - 0 0 97 -5,-0.1 -5,-0.5 23,-0.0 2,-0.5 -0.758 47.1-129.6 -96.2 148.0 33.3 111.3 26.2 15 38 A R - 0 0 28 -2,-0.3 21,-3.5 -7,-0.2 2,-0.5 -0.861 17.5-163.0-103.8 127.6 36.3 113.5 27.2 16 39 A Y E -AB 7 35A 8 -9,-2.6 -9,-2.9 -2,-0.5 2,-0.6 -0.939 11.9-142.7-114.5 118.4 39.4 113.7 25.0 17 40 A M E -AB 6 34A 110 17,-2.5 17,-1.7 -2,-0.5 2,-0.7 -0.676 21.1-128.0 -80.0 118.1 42.7 115.0 26.4 18 41 A R E + B 0 33A 65 -13,-3.1 15,-0.2 -2,-0.6 3,-0.1 -0.549 42.5 168.2 -68.9 107.9 44.6 117.0 23.8 19 42 A G E - 0 0 26 13,-2.3 14,-0.1 -2,-0.7 -1,-0.1 0.207 37.4 -9.0 -99.4-140.4 48.1 115.5 23.8 20 43 A R E - 0 0 148 11,-0.1 12,-2.7 1,-0.1 -1,-0.2 -0.265 67.1-109.9 -71.4 141.7 51.1 115.8 21.5 21 44 A F E + B 0 31A 100 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.417 32.0 179.5 -65.4 136.8 51.1 117.6 18.1 22 45 A L E - 0 0 63 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.672 48.0 -70.6-115.4 -29.1 51.5 115.2 15.1 23 46 A G E - B 0 30A 16 7,-1.1 7,-2.9 2,-0.0 -1,-0.3 -0.860 39.7 -86.7 154.2 174.0 51.4 117.4 12.1 24 47 A K E - B 0 29A 168 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.612 20.2-177.2-108.2 165.9 49.5 119.7 9.7 25 48 A G E > - B 0 28A 52 3,-2.1 3,-1.5 -2,-0.2 2,-0.7 -0.423 65.1 -63.1-164.9 79.7 47.4 119.0 6.5 26 49 A G T 3 S- 0 0 87 1,-0.3 -1,-0.2 -2,-0.0 0, 0.0 -0.679 122.4 -12.7 74.7-114.1 46.2 122.1 4.7 27 50 A F T 3 S+ 0 0 50 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.3 0.468 122.8 94.5 -92.9 -5.1 43.8 123.8 7.2 28 51 A A E < -B 25 0A 12 -3,-1.5 -3,-2.1 19,-0.1 2,-0.4 -0.662 54.0-165.5 -96.4 143.9 43.8 120.7 9.5 29 52 A K E -BC 24 46A 102 17,-1.6 17,-2.7 -2,-0.3 2,-0.4 -0.973 11.1-144.6-124.9 141.0 46.0 120.0 12.5 30 53 A C E +BC 23 45A 28 -7,-2.9 -8,-3.1 -2,-0.4 -7,-1.1 -0.899 16.8 178.0-113.6 136.3 46.5 116.6 14.2 31 54 A Y E -BC 21 44A 31 13,-1.6 13,-2.7 -2,-0.4 2,-0.7 -0.978 37.8-111.9-130.3 143.0 46.9 115.8 17.8 32 55 A E E - C 0 43A 32 -12,-2.7 -13,-2.3 -2,-0.4 2,-0.4 -0.664 44.1-167.0 -65.8 113.7 47.3 112.5 19.7 33 56 A I E -BC 18 42A 3 9,-3.0 9,-3.1 -2,-0.7 2,-0.4 -0.944 6.9-154.9-112.8 133.3 44.0 112.6 21.7 34 57 A T E -BC 17 41A 38 -17,-1.7 -17,-2.5 -2,-0.4 2,-0.5 -0.868 20.7-121.4-108.5 136.7 43.4 110.2 24.6 35 58 A D E > -B 16 0A 3 5,-2.7 4,-2.2 -2,-0.4 -19,-0.2 -0.670 22.3-145.5 -73.0 121.1 39.9 109.1 25.9 36 59 A M T 4 S+ 0 0 91 -21,-3.5 -1,-0.1 -2,-0.5 -20,-0.1 0.600 92.7 35.5 -72.4 -11.1 39.9 110.2 29.5 37 60 A D T 4 S+ 0 0 141 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.823 128.1 29.5-104.0 -50.3 37.9 107.2 30.7 38 61 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.666 91.1-135.5 -85.9 -19.4 39.1 104.2 28.6 39 62 A K < + 0 0 139 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.614 52.0 151.4 67.7 15.1 42.6 105.6 28.1 40 63 A E - 0 0 106 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.3 -0.619 39.3-135.2 -78.0 135.1 42.3 104.6 24.4 41 64 A V E +C 34 0A 34 -2,-0.3 54,-0.5 -7,-0.2 2,-0.3 -0.730 26.4 175.6-102.1 140.5 44.4 106.7 22.1 42 65 A F E -C 33 0A 26 -9,-3.1 -9,-3.0 -2,-0.3 2,-0.7 -0.926 35.7-111.3-138.9 160.4 43.3 108.3 18.8 43 66 A A E -CD 32 93A 15 50,-2.6 50,-1.7 -2,-0.3 2,-0.7 -0.858 37.0-156.6 -93.9 112.7 44.4 110.6 16.0 44 67 A G E -CD 31 92A 3 -13,-2.7 -13,-1.6 -2,-0.7 2,-0.5 -0.814 7.6-156.2-102.7 108.2 42.3 113.8 16.2 45 68 A K E -CD 30 91A 58 46,-2.6 46,-2.9 -2,-0.7 2,-0.5 -0.685 13.9-166.1 -74.8 123.8 41.8 116.0 13.2 46 69 A V E +CD 29 90A 4 -17,-2.7 -17,-1.6 -2,-0.5 44,-0.2 -0.956 9.2 177.7-119.0 113.1 41.0 119.5 14.3 47 70 A V E - D 0 89A 18 42,-3.2 42,-4.4 -2,-0.5 2,-0.2 -0.960 24.0-130.9-116.1 128.1 39.7 122.0 11.8 48 71 A P E > - D 0 88A 29 0, 0.0 3,-1.3 0, 0.0 4,-0.5 -0.511 11.3-133.4 -75.9 146.1 38.6 125.5 12.7 49 72 A K T 3 S+ 0 0 54 38,-3.6 39,-0.1 1,-0.3 38,-0.1 0.628 105.0 72.9 -68.6 -15.2 35.2 126.9 11.6 50 73 A S T 3 S+ 0 0 92 37,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.732 101.1 42.2 -69.9 -24.9 37.2 130.0 10.5 51 74 A M S < S+ 0 0 44 -3,-1.3 3,-0.2 1,-0.2 -1,-0.2 0.564 117.5 50.0 -89.8 -14.5 38.5 127.9 7.6 52 75 A L S S+ 0 0 28 -4,-0.5 -2,-0.2 1,-0.1 -1,-0.2 -0.066 71.4 111.9-112.5 30.2 35.0 126.5 7.2 53 76 A L + 0 0 146 -3,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.790 63.8 81.7 -69.7 -28.2 33.1 129.9 7.2 54 77 A K S > S- 0 0 116 -3,-0.2 4,-1.4 1,-0.1 5,-0.1 -0.595 76.1-142.7 -79.5 136.5 32.3 129.2 3.5 55 78 A P T 4 S+ 0 0 115 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.732 99.7 59.2 -64.7 -25.9 29.3 126.9 2.6 56 79 A H T >> S+ 0 0 104 2,-0.2 4,-1.0 1,-0.2 3,-0.7 0.938 109.3 38.4 -69.6 -51.7 31.3 125.5 -0.3 57 80 A Q H 3> S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.820 107.4 66.7 -68.3 -33.6 34.3 124.1 1.7 58 81 A K H 3X S+ 0 0 37 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.699 98.7 53.9 -61.8 -22.0 31.9 123.0 4.5 59 82 A E H <> S+ 0 0 113 -3,-0.7 4,-2.3 -4,-0.5 5,-0.3 0.914 99.7 59.9 -75.5 -46.7 30.5 120.5 2.0 60 83 A K H X S+ 0 0 103 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.864 109.7 42.5 -49.9 -44.0 33.9 119.0 1.2 61 84 A M H X S+ 0 0 28 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.860 113.6 50.2 -75.4 -35.9 34.4 118.0 4.9 62 85 A S H X S+ 0 0 66 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.719 111.9 50.1 -74.1 -21.2 30.8 116.7 5.4 63 86 A T H X S+ 0 0 48 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.898 111.9 47.4 -74.7 -47.1 31.2 114.6 2.2 64 87 A E H X S+ 0 0 29 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.898 113.4 47.7 -59.8 -46.0 34.5 113.2 3.5 65 88 A I H X S+ 0 0 11 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.946 108.4 54.2 -62.0 -49.2 33.1 112.4 6.9 66 89 A A H X S+ 0 0 61 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.856 114.2 42.5 -53.1 -39.8 30.0 110.8 5.5 67 90 A I H < S+ 0 0 12 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.905 115.5 46.8 -75.4 -44.0 32.2 108.5 3.4 68 91 A H H >< S+ 0 0 6 -4,-2.6 3,-1.5 1,-0.2 11,-0.3 0.892 107.5 58.1 -66.2 -39.6 34.8 107.7 6.1 69 92 A K H 3< S+ 0 0 72 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 101.7 55.3 -57.2 -38.8 32.1 107.0 8.7 70 93 A S T 3< S+ 0 0 73 -4,-0.9 -1,-0.3 -5,-0.3 2,-0.3 0.522 92.8 98.2 -74.9 -6.4 30.6 104.2 6.5 71 94 A L < + 0 0 11 -3,-1.5 8,-0.5 -4,-0.3 2,-0.2 -0.602 36.7 162.0 -94.9 145.3 33.9 102.4 6.3 72 95 A D + 0 0 139 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.700 23.7 127.3-159.3 101.9 35.1 99.4 8.3 73 96 A N > - 0 0 36 3,-0.3 3,-2.1 -2,-0.2 53,-0.0 -0.963 63.3-116.8-156.8 142.1 38.0 97.4 7.1 74 97 A P T 3 S+ 0 0 89 0, 0.0 52,-0.1 0, 0.0 4,-0.1 0.362 115.9 46.9 -62.4 7.6 41.4 96.2 8.5 75 98 A H T 3 S+ 0 0 23 50,-0.1 80,-3.3 79,-0.1 2,-0.4 0.220 98.5 76.5-133.6 9.0 43.2 98.3 5.8 76 99 A V B < S-f 155 0B 2 -3,-2.1 -3,-0.3 78,-0.3 80,-0.2 -0.952 95.9 -93.7-119.4 141.9 41.3 101.6 6.0 77 100 A V - 0 0 9 78,-3.7 2,-0.2 -2,-0.4 -6,-0.1 -0.352 49.8-112.0 -52.3 122.7 41.8 104.1 8.8 78 101 A G - 0 0 17 -2,-0.1 16,-1.4 -6,-0.1 2,-0.4 -0.447 24.5-141.7 -64.3 124.2 39.2 103.4 11.5 79 102 A F E +E 93 0A 28 -8,-0.5 14,-0.2 -11,-0.3 3,-0.1 -0.774 22.5 177.0 -86.0 133.6 36.5 106.1 11.7 80 103 A H E - 0 0 100 12,-2.0 13,-0.1 -2,-0.4 -1,-0.1 -0.117 50.3 -65.8-136.2 38.1 35.6 106.7 15.4 81 104 A G E - 0 0 31 11,-0.1 11,-1.8 10,-0.0 2,-0.3 0.368 42.9-136.5 94.4 139.1 33.0 109.5 15.5 82 105 A F E +E 91 0A 92 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.856 23.7 161.4-124.0 163.0 33.1 113.2 14.8 83 106 A F E -E 90 0A 15 7,-2.1 7,-2.6 -2,-0.3 2,-0.3 -0.921 17.4-141.5-161.4-175.6 31.7 116.3 16.5 84 107 A E E -E 89 0A 102 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.994 5.8-162.4-157.2 149.5 32.0 120.2 16.7 85 108 A D - 0 0 56 3,-2.5 -36,-0.1 -2,-0.3 -76,-0.0 -0.618 53.7 -81.4-115.0-172.2 31.9 123.2 19.0 86 109 A D S S+ 0 0 149 -2,-0.2 3,-0.1 1,-0.2 -37,-0.0 0.844 126.3 29.0 -58.5 -36.6 31.4 126.9 18.1 87 110 A D S S+ 0 0 67 1,-0.2 -38,-3.6 -39,-0.1 -37,-0.4 0.903 120.5 31.0 -92.8 -50.4 35.1 127.3 17.1 88 111 A F E -D 48 0A 13 -40,-0.3 -3,-2.5 -39,-0.1 2,-0.5 -0.826 58.3-139.2-121.3 152.7 36.5 124.0 15.8 89 112 A V E -DE 47 84A 5 -42,-4.4 -42,-3.2 -2,-0.3 2,-0.4 -0.943 26.9-154.6-106.7 129.2 35.3 120.8 14.0 90 113 A Y E -DE 46 83A 5 -7,-2.6 -7,-2.1 -2,-0.5 2,-0.4 -0.850 13.8-170.9-113.1 137.4 36.8 117.6 15.3 91 114 A V E -DE 45 82A 10 -46,-2.9 -46,-2.6 -2,-0.4 2,-0.5 -0.989 12.3-152.9-125.6 121.9 37.4 114.2 13.7 92 115 A V E +D 44 0A 2 -11,-1.8 -12,-2.0 -2,-0.4 2,-0.3 -0.817 27.0 164.3 -97.8 128.7 38.4 111.2 15.7 93 116 A L E -DE 43 79A 22 -50,-1.7 -50,-2.6 -2,-0.5 -14,-0.2 -0.834 41.1 -69.7-140.3 171.7 40.5 108.5 13.9 94 117 A E - 0 0 48 -16,-1.4 2,-0.5 -2,-0.3 -52,-0.1 -0.422 49.1-123.8 -66.1 133.5 42.7 105.5 14.2 95 118 A I - 0 0 27 -54,-0.5 2,-0.6 -2,-0.1 -1,-0.1 -0.703 22.8-170.5 -84.5 124.8 46.2 106.2 15.5 96 119 A C > - 0 0 21 -2,-0.5 3,-1.0 52,-0.1 51,-0.3 -0.857 0.4-171.8-117.9 94.9 49.1 105.1 13.3 97 120 A R T 3 S+ 0 0 114 -2,-0.6 51,-0.2 1,-0.3 -1,-0.1 0.454 75.3 64.6 -74.8 -0.7 52.2 105.5 15.3 98 121 A R T 3 S- 0 0 89 49,-2.1 -1,-0.3 1,-0.4 50,-0.1 -0.057 95.9-134.1-113.1 32.4 54.7 104.8 12.4 99 122 A R < - 0 0 169 -3,-1.0 48,-3.1 47,-0.1 -1,-0.4 -0.095 45.1 -45.8 48.6-145.6 53.8 107.8 10.3 100 123 A S B > -G 146 0B 4 46,-0.2 4,-1.5 -3,-0.1 46,-0.2 -0.627 45.3-102.2-119.0 174.5 53.2 107.1 6.6 101 124 A L H > S+ 0 0 0 44,-2.1 4,-1.9 41,-1.0 42,-0.2 0.576 117.1 66.4 -69.6 -10.4 54.7 105.3 3.6 102 125 A L H > S+ 0 0 54 40,-0.9 4,-2.8 2,-0.2 5,-0.3 0.963 99.5 46.3 -70.7 -56.9 56.0 108.7 2.5 103 126 A E H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.876 113.0 52.5 -53.0 -39.4 58.4 109.1 5.4 104 127 A L H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 3,-0.3 0.962 110.2 47.1 -61.5 -51.6 59.5 105.5 4.7 105 128 A H H X S+ 0 0 20 -4,-1.9 4,-3.4 1,-0.2 3,-0.2 0.907 110.9 51.0 -54.6 -49.6 60.2 106.3 1.1 106 129 A K H < S+ 0 0 146 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.6 40.0 -58.2 -34.1 62.1 109.5 1.9 107 130 A R H < S+ 0 0 166 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.666 128.7 29.9 -90.6 -20.8 64.3 107.6 4.4 108 131 A R H < S- 0 0 25 -4,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.702 79.0-166.3-109.6 -28.5 64.7 104.4 2.3 109 132 A K S < S+ 0 0 138 -4,-3.4 2,-0.5 -5,-0.3 76,-0.3 -0.570 72.0 20.5 61.4-127.2 64.5 105.5 -1.3 110 133 A A S S- 0 0 46 74,-0.3 73,-0.2 -2,-0.3 72,-0.1 -0.560 82.0-150.2 -74.3 120.6 64.1 102.3 -3.4 111 134 A V - 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0 0 5 -3,-1.7 2,-0.3 -23,-0.1 -24,-0.2 -0.499 38.6-168.9 -81.9 149.2 36.9 110.6 -2.3 162 185 A T E -I 136 0C 46 -26,-2.4 -26,-2.3 -2,-0.2 2,-0.3 -0.868 12.8-136.8-133.0 164.3 33.5 110.0 -3.9 163 186 A K E I 135 0C 135 -2,-0.3 -28,-0.2 -28,-0.2 -29,-0.1 -0.916 360.0 360.0-121.7 149.8 30.8 107.3 -4.0 164 187 A I 0 0 134 -30,-2.3 -1,-0.1 -2,-0.3 -29,-0.1 0.682 360.0 360.0-112.3 360.0 28.7 105.9 -6.9 165 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 166 214 A H 0 0 164 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.2 36.8 109.3 -14.8 167 215 A S > - 0 0 44 -29,-0.0 3,-0.8 61,-0.0 4,-0.3 -0.049 360.0 -31.4-132.1-129.7 35.8 106.3 -12.6 168 216 A F G >> S+ 0 0 60 1,-0.2 3,-1.3 2,-0.1 4,-0.8 0.769 116.2 76.0 -71.8 -28.6 37.6 103.5 -10.6 169 217 A E G 34 S+ 0 0 49 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.376 80.0 69.6 -75.6 5.9 40.6 103.4 -12.9 170 218 A V G <> S+ 0 0 38 -3,-0.8 4,-2.2 2,-0.2 -1,-0.3 0.802 98.3 51.5 -83.0 -33.3 42.1 106.6 -11.5 171 219 A D H <> S+ 0 0 0 -3,-1.3 4,-1.7 -4,-0.3 -2,-0.2 0.830 105.7 55.1 -67.5 -32.9 42.8 104.8 -8.2 172 220 A I H X S+ 0 0 4 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.791 107.7 51.2 -68.1 -29.5 44.5 102.1 -10.2 173 221 A W H > S+ 0 0 39 -4,-0.5 4,-2.1 2,-0.2 3,-0.3 0.939 106.0 51.5 -71.8 -51.8 46.7 104.8 -11.7 174 222 A S H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 109.1 53.9 -49.7 -42.6 47.7 106.3 -8.3 175 223 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.868 103.4 54.8 -63.7 -38.9 48.7 102.7 -7.3 176 224 A G H X S+ 0 0 0 -4,-1.3 4,-2.3 47,-0.4 -1,-0.2 0.922 108.9 49.1 -56.1 -45.8 50.9 102.4 -10.4 177 225 A C H X S+ 0 0 24 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.947 110.7 49.3 -58.4 -51.7 52.7 105.5 -9.2 178 226 A I H X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.934 111.7 48.2 -54.9 -50.8 53.1 104.2 -5.7 179 227 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.869 114.0 48.4 -59.3 -38.6 54.5 100.9 -7.0 180 228 A Y H X S+ 0 0 14 -4,-2.3 4,-3.2 -5,-0.2 5,-0.5 0.974 112.7 46.4 -62.0 -56.3 56.9 102.8 -9.3 181 229 A T H X S+ 0 0 6 -4,-3.4 4,-1.6 1,-0.2 -2,-0.2 0.827 114.0 49.8 -58.5 -36.5 58.0 105.1 -6.5 182 230 A L H < S+ 0 0 0 -4,-2.9 -71,-2.2 -5,-0.2 -1,-0.2 0.972 118.3 36.1 -66.4 -53.6 58.5 102.2 -4.1 183 231 A L H < S+ 0 0 15 -4,-2.3 -2,-0.2 -73,-0.2 -3,-0.2 0.826 129.2 33.0 -70.5 -33.8 60.5 100.0 -6.5 184 232 A V H < S- 0 0 30 -4,-3.2 -74,-0.3 -5,-0.2 -3,-0.2 0.776 95.3-130.5 -97.9 -33.4 62.5 102.9 -8.2 185 233 A G S < S+ 0 0 8 -4,-1.6 -4,-0.1 -5,-0.5 -3,-0.1 0.366 80.3 72.1 96.5 -6.4 62.9 105.4 -5.4 186 234 A K S S- 0 0 67 -6,-0.3 -2,-0.2 -77,-0.1 -1,-0.1 -0.996 90.0-101.0-137.0 142.9 61.7 108.5 -7.2 187 235 A P > - 0 0 49 0, 0.0 3,-0.6 0, 0.0 -9,-0.1 -0.332 31.0-126.1 -61.9 144.2 58.2 109.4 -8.3 188 236 A P T 3 S+ 0 0 17 0, 0.0 19,-0.2 0, 0.0 -10,-0.0 0.685 105.0 24.6 -69.2 -22.1 57.5 108.7 -12.1 189 237 A F T 3 S+ 0 0 15 17,-0.1 11,-0.2 2,-0.1 12,-0.1 0.259 88.1 137.1-124.8 8.1 56.4 112.3 -13.0 190 238 A E < + 0 0 130 -3,-0.6 2,-0.3 10,-0.1 3,-0.1 -0.355 21.7 157.0 -61.0 128.8 58.1 114.3 -10.2 191 239 A T - 0 0 40 -2,-0.1 6,-0.1 1,-0.1 -2,-0.1 -0.953 51.9-114.8-146.6 163.3 59.7 117.5 -11.4 192 240 A S S S+ 0 0 130 -2,-0.3 2,-0.5 4,-0.0 -1,-0.1 0.888 100.7 68.7 -65.9 -40.8 60.7 120.8 -9.8 193 241 A C S > S- 0 0 71 1,-0.1 4,-1.4 -3,-0.1 -2,-0.1 -0.711 72.1-152.0 -87.7 126.9 58.2 122.8 -11.9 194 242 A L H > S+ 0 0 123 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.870 96.0 50.0 -64.6 -42.1 54.5 122.1 -11.0 195 243 A K H > S+ 0 0 160 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.863 106.0 57.7 -65.3 -37.8 53.1 122.9 -14.5 196 244 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.891 100.9 56.8 -58.3 -43.9 55.7 120.6 -16.0 197 245 A T H X S+ 0 0 28 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.916 104.1 52.6 -52.9 -48.1 54.4 117.7 -13.9 198 246 A Y H X S+ 0 0 139 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.817 109.1 49.8 -59.9 -34.4 50.9 118.2 -15.4 199 247 A I H X S+ 0 0 61 -4,-1.3 4,-2.9 -3,-0.3 5,-0.3 0.923 106.4 54.8 -70.1 -46.0 52.3 118.0 -18.9 200 248 A R H X>S+ 0 0 76 -4,-2.3 5,-3.2 1,-0.2 4,-0.7 0.879 110.4 47.2 -53.1 -43.8 54.2 114.8 -18.2 201 249 A I H ><5S+ 0 0 70 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.948 112.5 48.5 -63.7 -51.4 50.9 113.2 -17.0 202 250 A K H 3<5S+ 0 0 158 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.911 117.7 39.4 -56.1 -48.8 48.9 114.4 -20.1 203 251 A K H 3<5S- 0 0 139 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.562 110.4-122.9 -80.3 -7.8 51.5 113.2 -22.6 204 252 A N T <<5 + 0 0 48 -4,-0.7 2,-0.9 -3,-0.6 -3,-0.2 0.897 45.6 177.1 64.2 45.5 52.1 110.1 -20.6 205 253 A E < + 0 0 106 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.720 23.5 105.0 -92.1 102.2 55.8 110.9 -20.3 206 254 A Y - 0 0 55 -2,-0.9 2,-0.3 -5,-0.0 -17,-0.1 -0.960 42.4-156.4-159.1 166.1 57.7 108.4 -18.1 207 255 A S - 0 0 93 -2,-0.3 3,-0.0 -19,-0.2 -2,-0.0 -0.910 18.6-134.2-152.4 126.4 60.2 105.5 -18.5 208 256 A V - 0 0 28 -2,-0.3 9,-0.0 9,-0.1 -2,-0.0 -0.722 41.8-109.9 -78.2 119.3 60.8 102.6 -16.1 209 257 A P > - 0 0 50 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.042 20.3-113.5 -51.7 151.4 64.6 102.3 -15.8 210 258 A R T 3 S+ 0 0 221 1,-0.3 -2,-0.1 -3,-0.0 0, 0.0 0.749 111.3 69.4 -55.6 -26.5 66.4 99.3 -17.3 211 259 A H T 3 S+ 0 0 149 2,-0.1 2,-0.3 -27,-0.0 -1,-0.3 0.663 78.1 95.7 -71.1 -21.1 67.4 98.1 -13.8 212 260 A I S < S- 0 0 29 -3,-1.7 5,-0.1 1,-0.1 -28,-0.0 -0.570 90.2 -94.1 -79.5 132.7 63.8 97.3 -12.7 213 261 A N > - 0 0 55 -2,-0.3 4,-3.0 1,-0.1 3,-0.4 -0.117 29.8-129.0 -39.9 127.6 62.5 93.6 -13.0 214 262 A P H > S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.882 109.5 50.1 -48.9 -47.5 60.7 93.0 -16.4 215 263 A V H > S+ 0 0 35 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.817 113.5 47.2 -63.9 -32.4 57.7 91.5 -14.6 216 264 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.919 111.4 48.4 -74.6 -46.2 57.6 94.5 -12.2 217 265 A S H X S+ 0 0 14 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.784 109.0 57.5 -64.8 -28.6 57.9 97.0 -15.1 218 266 A A H X S+ 0 0 32 -4,-1.9 4,-1.8 -5,-0.3 5,-0.2 0.968 107.0 44.6 -62.7 -56.5 55.1 95.2 -16.9 219 267 A L H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.863 113.6 53.1 -58.0 -38.3 52.6 95.5 -14.1 220 268 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.951 106.3 51.2 -60.2 -51.5 53.6 99.2 -13.7 221 269 A R H < S+ 0 0 114 -4,-2.2 4,-0.3 1,-0.2 3,-0.2 0.848 111.6 46.6 -58.6 -40.0 53.0 100.0 -17.4 222 270 A R H < S+ 0 0 97 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.835 110.2 52.8 -72.2 -35.4 49.5 98.5 -17.4 223 271 A M H < S+ 0 0 0 -4,-1.7 -47,-0.4 -5,-0.2 -1,-0.2 0.662 117.9 39.6 -71.4 -16.4 48.6 100.3 -14.2 224 272 A L S < S+ 0 0 0 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.375 86.0 145.9-111.5 0.4 49.8 103.5 -15.9 225 273 A H - 0 0 75 -3,-0.5 6,-0.1 -4,-0.3 5,-0.1 -0.001 55.2-126.8 -47.3 140.8 48.4 102.8 -19.4 226 274 A A S S+ 0 0 65 -22,-0.1 -1,-0.1 1,-0.1 5,-0.1 0.930 98.3 67.1 -52.0 -54.6 47.1 105.8 -21.4 227 275 A D S > S- 0 0 65 1,-0.2 3,-1.9 3,-0.1 4,-0.2 -0.635 74.5-154.9 -74.2 111.8 43.7 104.2 -22.0 228 276 A P G > S+ 0 0 51 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.784 92.7 60.8 -57.1 -29.7 41.9 103.9 -18.6 229 277 A T G 3 S+ 0 0 112 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.1 0.563 99.5 56.4 -78.4 -8.0 39.9 101.0 -19.9 230 278 A L G < S+ 0 0 108 -3,-1.9 -1,-0.2 -5,-0.1 -5,-0.1 0.356 83.2 105.4-102.9 2.5 43.0 99.0 -20.4 231 279 A R S < S- 0 0 38 -3,-1.1 -8,-0.2 -4,-0.2 2,-0.1 -0.557 81.8-102.0 -76.2 147.9 44.2 99.3 -16.8 232 280 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.398 34.9-116.0 -71.5 148.7 43.8 96.2 -14.7 233 281 A S >> - 0 0 56 1,-0.1 3,-1.2 -2,-0.1 4,-0.7 -0.495 30.8-103.1 -79.2 156.2 40.9 96.0 -12.2 234 282 A V H >> S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 4,-0.8 0.872 123.8 50.2 -43.3 -50.2 41.6 95.8 -8.5 235 283 A A H 3> S+ 0 0 54 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.814 105.4 57.8 -62.0 -31.8 40.8 92.1 -8.4 236 284 A E H <4 S+ 0 0 108 -3,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.582 95.9 67.9 -76.4 -9.9 43.2 91.5 -11.4 237 285 A L H X< S+ 0 0 1 -3,-1.4 3,-1.5 -4,-0.7 6,-0.3 0.952 94.0 48.8 -77.0 -53.1 46.1 93.0 -9.5 238 286 A L H 3< S+ 0 0 20 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.784 109.2 55.4 -58.7 -30.8 46.8 90.5 -6.6 239 287 A T T 3< S+ 0 0 105 -4,-0.6 -1,-0.3 4,-0.1 -2,-0.2 0.617 84.1 116.8 -80.1 -13.5 46.7 87.6 -9.1 240 288 A D S X> S- 0 0 28 -3,-1.5 4,-1.1 -4,-0.3 3,-1.0 -0.140 80.8-111.7 -58.7 149.4 49.5 89.2 -11.3 241 289 A E H >> S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.843 112.5 68.1 -49.6 -40.1 52.8 87.4 -11.7 242 290 A F H 34 S+ 0 0 1 -27,-0.3 4,-0.5 1,-0.3 3,-0.3 0.871 106.2 38.0 -50.4 -45.7 54.5 90.2 -9.7 243 291 A F H <4 S+ 0 0 14 -3,-1.0 -1,-0.3 -6,-0.3 -2,-0.2 0.727 123.6 43.0 -77.0 -21.4 52.8 89.2 -6.5 244 292 A T H << S+ 0 0 96 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.361 105.5 61.4-110.5 2.1 53.0 85.4 -7.2 245 293 A S S < S+ 0 0 60 -4,-1.5 -3,-0.1 -3,-0.3 -2,-0.1 0.907 101.0 27.3 -91.7 -77.1 56.6 85.1 -8.6 246 294 A G S S- 0 0 34 -4,-0.5 2,-0.0 1,-0.2 0, 0.0 -0.053 104.9 -51.8 -81.3-175.9 59.2 86.1 -5.9 247 295 A Y - 0 0 164 1,-0.1 -1,-0.2 -3,-0.0 -130,-0.2 -0.275 46.1-169.5 -63.0 136.0 59.1 86.1 -2.1 248 296 A A - 0 0 44 -3,-0.1 -133,-0.1 -131,-0.1 -1,-0.1 -0.848 11.7-151.3-131.0 95.6 56.2 87.8 -0.4 249 297 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.309 8.6-147.9 -66.0 147.3 56.6 88.2 3.3 250 298 A M S S+ 0 0 150 1,-0.2 2,-0.3 -2,-0.0 0, 0.0 0.727 82.2 25.9 -88.2 -26.0 53.5 88.3 5.6 251 299 A R - 0 0 185 -99,-0.0 -1,-0.2 0, 0.0 -100,-0.1 -0.996 67.2-150.8-138.4 144.6 55.0 90.7 8.1 252 300 A L - 0 0 17 -102,-0.4 2,-0.0 -2,-0.3 -100,-0.0 -0.927 21.1-121.7-113.8 139.3 57.6 93.4 8.1 253 301 A P > - 0 0 61 0, 0.0 3,-1.2 0, 0.0 4,-0.1 -0.336 25.8-115.2 -66.8 157.7 59.9 94.5 10.9 254 302 A T G > S+ 0 0 64 1,-0.2 3,-1.7 2,-0.1 4,-0.2 0.653 108.8 79.4 -65.8 -17.2 59.9 98.1 12.1 255 303 A S G >> S+ 0 0 49 1,-0.3 4,-2.9 2,-0.2 3,-2.4 0.767 72.4 78.0 -61.9 -27.1 63.5 98.2 10.9 256 304 A C G <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.629 77.2 75.3 -58.2 -15.0 62.2 98.7 7.4 257 305 A L G <4 S+ 0 0 35 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.753 119.5 6.5 -68.4 -24.0 61.5 102.3 8.3 258 306 A T T <4 S+ 0 0 60 -3,-2.4 -2,-0.2 1,-0.4 -1,-0.1 0.648 130.9 30.3-129.1 -36.6 65.3 103.0 8.1 259 307 A V S < S- 0 0 78 -4,-2.9 -1,-0.4 0, 0.0 -151,-0.1 -0.949 82.4 -97.1-133.7 150.8 67.2 100.0 6.7 260 308 A P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.370 45.9-107.5 -66.4 144.9 66.5 97.1 4.3 261 309 A P 0 0 43 0, 0.0 -146,-0.1 0, 0.0 -9,-0.0 -0.384 360.0 360.0 -76.7 151.5 65.4 93.7 5.9 262 310 A R 0 0 289 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.127 360.0 360.0-117.3 360.0 67.7 90.7 6.0