==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-SEP-11 3ZZH . COMPND 2 MOLECULE: ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.DE CIMA,F.GIL-ORTIZ,M.CRABEEL,I.FITA,V.RUBIO . 1158 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 859 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 98 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 418 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.8 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 4 0 8 1 4 3 8 2 5 5 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 3 8 7 5 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 PARALLEL BRIDGES PER LADDER . 6 12 4 0 4 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 . 8 0 4 0 0 0 4 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 62 A N 0 0 110 0, 0.0 2,-0.7 0, 0.0 165,-0.1 0.000 360.0 360.0 360.0 178.9 -22.9 9.4 -40.3 2 63 A G - 0 0 45 2,-0.1 2,-0.6 61,-0.0 64,-0.5 -0.647 360.0-166.3 -74.9 111.7 -22.4 10.8 -43.7 3 64 A F B +A 65 0A 26 -2,-0.7 876,-0.3 62,-0.2 2,-0.2 -0.911 21.9 155.0 -94.1 118.5 -22.1 8.0 -46.3 4 65 A S - 0 0 52 60,-2.8 2,-0.8 -2,-0.6 874,-0.2 -0.724 26.9-157.0-147.0 96.5 -20.8 9.4 -49.6 5 66 A A E -B 877 0B 2 872,-2.4 872,-1.5 -2,-0.2 60,-0.1 -0.636 11.5-163.5 -80.2 109.3 -19.0 6.9 -51.8 6 67 A T E > -B 876 0B 40 -2,-0.8 4,-2.5 870,-0.2 5,-0.2 -0.230 41.0 -90.3 -76.9 175.5 -16.6 8.6 -54.2 7 68 A R H > S+ 0 0 100 868,-0.5 4,-2.1 1,-0.2 5,-0.1 0.906 131.7 47.4 -55.1 -44.0 -15.2 6.9 -57.3 8 69 A S H > S+ 0 0 61 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.865 108.9 54.8 -68.2 -35.0 -12.2 5.6 -55.2 9 70 A T H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 108.9 47.6 -61.4 -47.6 -14.6 4.4 -52.4 10 71 A V H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.919 114.9 45.9 -59.1 -46.0 -16.6 2.3 -54.9 11 72 A I H X S+ 0 0 49 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.956 113.7 48.2 -62.0 -52.7 -13.4 0.8 -56.4 12 73 A Q H < S+ 0 0 35 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.849 112.1 51.4 -55.6 -39.9 -11.9 0.1 -53.0 13 74 A L H < S+ 0 0 5 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.953 120.8 30.1 -61.0 -50.9 -15.1 -1.5 -51.8 14 75 A L H >< S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.703 94.6 88.2 -89.0 -25.3 -15.5 -3.9 -54.8 15 76 A N T 3< S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.813 101.7 30.3 -46.7 -43.6 -11.9 -4.6 -55.8 16 77 A N T 3 S+ 0 0 98 -4,-0.5 2,-0.4 -3,-0.3 -1,-0.3 0.394 92.6 112.3-101.1 2.3 -11.4 -7.5 -53.4 17 78 A I < + 0 0 4 -3,-1.5 878,-0.1 1,-0.1 874,-0.1 -0.648 23.1 145.9 -77.0 125.2 -15.1 -8.8 -53.4 18 79 A S + 0 0 53 -2,-0.4 874,-0.7 1,-0.1 2,-0.3 0.328 55.7 51.0-138.7 2.0 -15.4 -12.2 -55.1 19 80 A T S > S- 0 0 56 872,-0.2 4,-1.8 1,-0.1 872,-0.2 -0.947 75.9-119.8-140.8 160.4 -18.2 -14.0 -53.1 20 81 A K H > S+ 0 0 132 -2,-0.3 4,-2.9 870,-0.2 5,-0.1 0.811 114.5 61.8 -66.8 -31.8 -21.8 -13.4 -51.9 21 82 A R H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 105.4 45.1 -57.7 -49.0 -20.4 -13.9 -48.4 22 83 A E H > S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.892 112.6 51.3 -63.4 -42.4 -18.2 -10.9 -48.8 23 84 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.937 109.7 51.5 -56.2 -47.3 -21.0 -8.9 -50.3 24 85 A E H X S+ 0 0 103 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.865 105.4 53.4 -64.2 -39.2 -23.2 -9.8 -47.4 25 86 A Q H X S+ 0 0 19 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.894 109.6 48.3 -65.9 -37.5 -20.7 -8.7 -44.7 26 87 A Y H X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.904 110.2 53.0 -64.9 -40.0 -20.4 -5.2 -46.3 27 88 A L H X S+ 0 0 25 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.872 102.8 58.9 -61.1 -38.8 -24.2 -5.1 -46.4 28 89 A K H X S+ 0 0 140 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.905 111.1 40.5 -56.4 -45.1 -24.4 -5.9 -42.7 29 90 A Y H < S+ 0 0 54 -4,-1.4 3,-0.4 1,-0.2 -2,-0.2 0.908 116.4 48.9 -71.6 -41.9 -22.3 -2.8 -41.8 30 91 A F H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.761 117.7 40.1 -72.1 -26.1 -24.0 -0.5 -44.3 31 92 A T H < S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.447 90.4 115.7 -99.4 -4.3 -27.6 -1.5 -43.2 32 93 A S < - 0 0 67 -4,-0.6 -3,-0.0 -3,-0.4 -4,-0.0 -0.354 48.6-162.9 -66.9 144.7 -26.8 -1.6 -39.5 33 94 A V + 0 0 129 -2,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.091 41.6 139.8-115.9 31.6 -28.6 0.9 -37.1 34 95 A S - 0 0 71 1,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.463 42.9-159.2 -75.1 146.7 -26.1 0.3 -34.2 35 96 A Q + 0 0 175 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.383 55.2 119.1-103.5 -2.2 -25.0 3.4 -32.2 36 97 A Q S S- 0 0 92 1,-0.1 165,-0.1 2,-0.1 167,-0.1 -0.426 79.9 -98.3 -62.3 135.2 -21.9 1.6 -30.9 37 98 A Q - 0 0 43 163,-0.5 166,-2.1 1,-0.1 167,-0.2 -0.308 31.1-140.3 -52.2 137.9 -18.7 3.3 -31.9 38 99 A F - 0 0 18 30,-0.5 166,-2.1 1,-0.2 2,-0.3 0.942 64.7 -9.3 -72.4 -49.6 -17.3 1.6 -34.9 39 100 A A E -cd 69 204C 0 29,-0.6 31,-2.6 164,-0.2 2,-0.5 -1.000 34.6-154.0-154.9 147.4 -13.6 1.6 -34.1 40 101 A V E -cd 70 205C 1 164,-2.0 166,-2.1 -2,-0.3 2,-0.5 -0.999 29.9-170.3-112.8 121.7 -10.6 2.7 -32.1 41 102 A I E -cd 71 206C 0 29,-2.8 31,-2.4 -2,-0.5 2,-0.5 -0.964 10.1-157.4-118.1 118.2 -7.5 2.6 -34.3 42 103 A K E -cd 72 207C 22 164,-2.7 166,-3.0 -2,-0.5 2,-0.6 -0.834 11.7-154.9 -92.0 131.0 -4.0 3.1 -32.8 43 104 A V E -cd 73 208C 0 29,-2.5 31,-2.2 -2,-0.5 2,-0.1 -0.930 15.3-127.8-112.1 118.7 -1.4 4.2 -35.4 44 105 A G >> - 0 0 13 164,-1.6 3,-1.6 -2,-0.6 4,-0.5 -0.450 24.6-126.4 -58.4 131.2 2.3 3.4 -34.9 45 106 A G H >> S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.836 104.7 65.4 -54.5 -37.5 4.0 6.8 -35.2 46 107 A A H >> S+ 0 0 18 1,-0.3 4,-2.0 2,-0.2 3,-0.6 0.804 90.6 65.5 -56.6 -31.0 6.4 5.4 -37.9 47 108 A I H <> S+ 0 0 5 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.817 93.9 59.1 -64.9 -30.4 3.5 4.9 -40.3 48 109 A I H << S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.5 4,-0.2 0.834 115.6 35.0 -69.3 -31.4 2.9 8.6 -40.5 49 110 A S H << S+ 0 0 59 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.745 128.7 35.2 -87.5 -26.2 6.5 9.1 -41.8 50 111 A D H < S+ 0 0 105 -4,-2.0 -3,-0.2 1,-0.1 -2,-0.2 0.743 132.6 12.1-104.6 -31.5 6.8 5.9 -43.8 51 112 A N S X S+ 0 0 50 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 -0.246 72.8 144.2-146.5 46.5 3.4 5.1 -45.4 52 113 A L H > S+ 0 0 43 -4,-0.2 4,-2.8 1,-0.2 5,-0.2 0.886 70.3 51.9 -64.4 -43.7 1.2 8.2 -45.0 53 114 A H H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 112.4 45.7 -60.8 -46.5 -0.7 8.1 -48.3 54 115 A E H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 113.1 50.4 -63.2 -44.2 -1.8 4.5 -47.7 55 116 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -8,-0.2 5,-0.2 0.950 113.5 45.5 -55.1 -52.5 -2.8 5.2 -44.1 56 117 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.884 111.6 52.7 -59.8 -42.1 -4.8 8.2 -45.1 57 118 A S H X S+ 0 0 31 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.917 109.7 47.6 -61.0 -47.2 -6.5 6.3 -48.0 58 119 A C H X S+ 0 0 23 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.915 114.1 46.5 -63.3 -43.4 -7.6 3.5 -45.7 59 120 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.864 109.0 56.9 -65.5 -35.8 -9.0 5.9 -43.1 60 121 A A H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.873 100.6 57.5 -61.5 -40.2 -10.7 7.8 -46.0 61 122 A F H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.941 108.2 46.2 -55.8 -48.2 -12.5 4.7 -47.1 62 123 A L H <>S+ 0 0 1 -4,-1.4 5,-2.6 1,-0.2 3,-0.2 0.940 112.1 50.9 -60.9 -48.7 -14.0 4.3 -43.6 63 124 A Y H ><5S+ 0 0 33 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.907 110.0 50.5 -52.9 -45.5 -15.0 8.0 -43.5 64 125 A H H 3<5S+ 0 0 19 -4,-2.7 -60,-2.8 1,-0.3 -1,-0.2 0.819 109.6 48.7 -69.5 -31.5 -16.7 7.7 -46.9 65 126 A V B 3<5S-A 3 0A 1 -4,-1.8 -1,-0.3 -3,-0.2 -62,-0.2 0.243 119.7-109.6 -92.0 14.3 -18.8 4.7 -46.0 66 127 A G T < 5S+ 0 0 9 -3,-1.3 2,-0.5 -64,-0.5 -3,-0.2 0.723 81.8 123.3 73.5 25.5 -19.9 6.5 -42.8 67 128 A L < - 0 0 26 -5,-2.6 -1,-0.1 -6,-0.2 -3,-0.1 -0.705 46.9-162.3-119.8 78.5 -17.9 4.3 -40.3 68 129 A Y - 0 0 11 -2,-0.5 -29,-0.6 -5,-0.1 -30,-0.5 -0.435 2.3-151.4 -72.5 118.9 -15.8 6.9 -38.4 69 130 A P E -c 39 0C 0 0, 0.0 2,-0.6 0, 0.0 -29,-0.2 -0.558 16.3-126.5 -80.2 151.8 -12.8 5.6 -36.5 70 131 A I E -c 40 0C 0 -31,-2.6 -29,-2.8 -2,-0.2 2,-0.5 -0.909 34.7-152.9 -89.4 120.5 -11.4 7.3 -33.4 71 132 A V E +ce 41 172C 0 100,-2.1 102,-3.4 -2,-0.6 2,-0.4 -0.876 21.4 175.8-109.1 122.4 -7.7 7.6 -34.4 72 133 A L E -ce 42 173C 0 -31,-2.4 -29,-2.5 -2,-0.5 2,-0.3 -0.992 13.1-173.3-122.9 123.3 -4.9 7.8 -31.8 73 134 A H E -c 43 0C 0 100,-2.4 102,-0.4 -2,-0.4 -29,-0.2 -0.763 11.6-146.6-117.5 160.0 -1.3 7.9 -33.1 74 135 A G - 0 0 5 -31,-2.2 -1,-0.1 -2,-0.3 114,-0.1 -0.262 7.4-161.4-104.0-164.6 2.1 7.8 -31.6 75 136 A T > + 0 0 5 -2,-0.1 4,-1.7 39,-0.0 3,-0.3 0.245 44.0 127.7-165.9 15.7 5.4 9.4 -32.5 76 137 A G H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 71.9 50.8 -54.2 -50.7 8.2 7.3 -30.7 77 138 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.889 111.8 46.5 -62.2 -38.0 10.5 6.6 -33.7 78 139 A Q H > S+ 0 0 30 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.827 109.7 54.9 -77.4 -26.0 10.7 10.2 -34.9 79 140 A V H X S+ 0 0 1 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.945 108.6 49.6 -62.1 -47.0 11.4 11.4 -31.3 80 141 A N H X S+ 0 0 29 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.892 109.3 50.7 -60.3 -43.0 14.3 8.9 -31.1 81 142 A G H X S+ 0 0 34 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.878 112.1 48.5 -58.9 -39.0 15.7 10.2 -34.4 82 143 A R H X S+ 0 0 74 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.925 113.3 45.2 -68.4 -47.3 15.4 13.7 -33.0 83 144 A L H <>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 3,-0.5 0.929 113.4 51.0 -62.1 -45.3 17.1 12.9 -29.7 84 145 A E H ><5S+ 0 0 108 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.870 106.0 54.4 -60.1 -40.3 19.8 10.9 -31.6 85 146 A A H 3<5S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.775 107.9 51.1 -65.4 -27.3 20.5 13.8 -33.9 86 147 A Q T 3<5S- 0 0 94 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.256 123.9-108.6 -88.8 9.5 21.1 16.0 -30.8 87 148 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.825 77.5 132.9 66.3 32.9 23.5 13.3 -29.5 88 149 A I < - 0 0 64 -5,-2.7 -1,-0.2 -8,-0.1 -2,-0.2 -0.961 52.9-133.7-117.5 132.7 21.1 12.1 -26.8 89 150 A E - 0 0 158 -2,-0.4 -9,-0.0 -3,-0.1 -5,-0.0 -0.739 27.0-112.8 -88.1 125.6 20.4 8.4 -26.2 90 151 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.271 30.0-148.8 -52.4 140.7 16.7 7.4 -25.8 91 152 A D + 0 0 89 7,-0.3 7,-2.6 2,-0.0 2,-0.3 -0.964 24.4 164.9-125.1 112.2 16.0 6.2 -22.3 92 153 A Y E -J 97 0D 95 -2,-0.5 2,-0.3 5,-0.3 5,-0.2 -0.887 20.1-169.8-122.9 154.1 13.3 3.6 -21.7 93 154 A I E > S-J 96 0D 61 3,-2.5 3,-2.1 -2,-0.3 -2,-0.0 -0.944 79.6 -13.3-140.5 129.1 12.2 1.2 -19.0 94 155 A D T 3 S- 0 0 74 -2,-0.3 3,-0.1 1,-0.3 148,-0.0 0.844 129.4 -52.5 51.9 40.9 9.7 -1.6 -19.5 95 156 A G T 3 S+ 0 0 6 1,-0.2 2,-0.4 151,-0.1 -1,-0.3 0.385 116.4 116.3 81.7 -0.9 8.6 -0.1 -22.9 96 157 A I E < -J 93 0D 27 -3,-2.1 -3,-2.5 92,-0.1 2,-0.5 -0.859 66.2-123.7-109.7 129.4 8.0 3.3 -21.3 97 158 A R E -J 92 0D 17 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.572 16.0-134.4 -75.0 122.6 10.0 6.5 -22.2 98 159 A I - 0 0 19 -7,-2.6 2,-0.6 -2,-0.5 -7,-0.3 -0.670 30.6-162.3 -71.5 122.8 11.8 8.2 -19.3 99 160 A T B +k 148 0E 0 48,-2.4 50,-2.6 -2,-0.5 87,-0.1 -0.816 15.6 176.7-128.1 88.5 10.8 11.8 -20.0 100 161 A D > - 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0 0 63 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.274 38.9-106.7 -65.3 160.5 -16.7 -8.4 -22.9 261 322 A R T 3 S+ 0 0 119 1,-0.3 29,-0.3 27,-0.1 28,-0.3 0.765 116.8 68.8 -60.5 -27.6 -15.3 -11.8 -24.2 262 323 A S T 3 S+ 0 0 110 26,-0.1 -1,-0.3 27,-0.1 2,-0.1 0.636 85.3 90.2 -65.8 -17.2 -16.8 -10.9 -27.7 263 324 A S < + 0 0 17 -3,-2.1 26,-0.5 -7,-0.1 2,-0.3 -0.445 52.7 168.7 -77.6 156.2 -14.1 -8.1 -28.0 264 325 A S - 0 0 43 -61,-0.2 2,-0.4 24,-0.1 -59,-0.4 -0.954 26.7-128.2-156.2 168.5 -10.7 -8.7 -29.5 265 326 A V E - I 0 287C 0 22,-2.8 22,-3.0 -2,-0.3 2,-0.5 -0.996 13.7-156.4-128.4 129.6 -7.7 -6.7 -30.7 266 327 A A E -gI 206 286C 3 -61,-2.3 -59,-3.6 -2,-0.4 2,-0.6 -0.907 1.9-163.2-104.5 130.0 -6.0 -7.0 -34.1 267 328 A I E +gI 207 285C 0 18,-2.8 18,-2.8 -2,-0.5 2,-0.3 -0.965 36.5 146.5-109.3 111.5 -2.4 -5.9 -34.5 268 329 A I E -g 208 0C 1 -61,-2.3 -59,-1.9 -2,-0.6 2,-0.3 -0.888 53.0 -96.7-142.9 164.2 -1.9 -5.5 -38.3 269 330 A N > - 0 0 31 -57,-0.3 3,-2.2 -2,-0.3 -59,-0.1 -0.665 42.7-116.7 -81.3 146.3 -0.2 -3.7 -41.1 270 331 A V G > S+ 0 0 2 1,-0.3 3,-1.9 -2,-0.3 4,-0.4 0.782 110.8 69.7 -58.8 -29.7 -2.4 -0.9 -42.6 271 332 A Q G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.711 103.2 45.7 -60.6 -19.8 -2.5 -2.7 -46.0 272 333 A D G <> S+ 0 0 42 -3,-2.2 4,-2.1 1,-0.1 -1,-0.3 0.253 83.4 100.6-105.6 11.9 -4.7 -5.3 -44.3 273 334 A L H <> S+ 0 0 3 -3,-1.9 4,-2.5 2,-0.2 5,-0.2 0.934 82.8 44.6 -68.3 -48.7 -7.1 -3.0 -42.5 274 335 A Q H > S+ 0 0 30 -4,-0.4 4,-2.2 2,-0.2 5,-0.5 0.965 115.8 47.1 -59.1 -54.2 -10.1 -3.1 -44.8 275 336 A K H > S+ 0 0 71 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.896 115.9 45.7 -52.4 -44.9 -9.9 -6.9 -45.3 276 337 A E H < S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 113.1 48.4 -74.9 -35.5 -9.6 -7.4 -41.5 277 338 A L H < S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.892 129.8 15.7 -66.6 -41.3 -12.4 -5.0 -40.5 278 339 A F H < S+ 0 0 5 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.747 122.7 21.4-111.5 -31.2 -15.0 -6.3 -43.0 279 340 A T S < S- 0 0 23 -4,-2.2 2,-0.4 -5,-0.5 -257,-0.0 -0.366 95.3 -48.2-128.5-161.2 -14.1 -9.7 -44.4 280 341 A D + 0 0 111 -2,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.693 57.6 166.1 -85.1 128.9 -12.0 -12.9 -43.8 281 342 A S - 0 0 50 -2,-0.4 -9,-0.0 -5,-0.2 0, 0.0 -0.992 34.6-177.3-146.4 131.8 -8.3 -12.3 -42.9 282 343 A G + 0 0 69 -2,-0.3 2,-0.1 3,-0.0 4,-0.1 0.107 57.1 123.8-102.5 16.2 -5.5 -14.4 -41.5 283 344 A A - 0 0 29 -11,-0.1 -16,-0.1 2,-0.1 -2,-0.1 -0.453 63.4 -8.8 -80.0 148.7 -3.3 -11.3 -41.5 284 345 A G S S- 0 0 9 -72,-0.2 2,-0.5 -2,-0.1 -16,-0.2 -0.101 98.6 -47.1 69.8-163.0 -1.6 -9.9 -38.5 285 346 A T E - I 0 267C 0 -18,-2.8 -18,-2.8 -60,-0.0 2,-0.5 -0.957 46.3-157.9-116.5 119.4 -2.0 -11.0 -34.8 286 347 A M E -hI 225 266C 37 -62,-2.3 -60,-2.5 -2,-0.5 2,-0.4 -0.844 9.8-167.2 -95.3 129.7 -5.4 -11.4 -33.3 287 348 A I E +hI 226 265C 0 -22,-3.0 -22,-2.8 -2,-0.5 2,-0.3 -0.983 18.4 149.2-121.6 129.7 -5.6 -11.2 -29.5 288 349 A R E -h 227 0C 106 -62,-2.4 -60,-2.6 -2,-0.4 -59,-0.2 -0.949 56.2-110.8-148.0 162.6 -8.7 -12.3 -27.5 289 350 A R - 0 0 60 -26,-0.5 -60,-2.0 -2,-0.3 2,-1.3 0.912 47.3-171.4 -63.3 -42.8 -9.4 -13.7 -24.0 290 351 A G 0 0 34 -29,-0.3 -1,-0.2 -62,-0.1 -63,-0.1 -0.448 360.0 360.0 93.1 -62.3 -10.4 -17.0 -25.7 291 352 A Y 0 0 98 -2,-1.3 -61,-0.1 -3,-0.1 -3,-0.0 -0.681 360.0 360.0 76.3 360.0 -11.9 -19.1 -22.9 292 !* 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 0.0 293 63 B G 0 0 128 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.4 -15.9 24.0 -54.3 294 64 B F + 0 0 40 63,-0.0 294,-0.4 2,-0.0 2,-0.3 -0.379 360.0 158.3 -68.0 129.8 -16.9 27.5 -53.4 295 65 B S - 0 0 71 -2,-0.2 2,-0.4 292,-0.1 292,-0.2 -0.981 21.0-155.5-141.0 152.1 -20.5 28.7 -53.9 296 66 B A B -R 586 0J 6 290,-1.8 290,-2.5 -2,-0.3 60,-0.1 -0.988 15.0-129.2-128.7 139.9 -22.5 31.5 -52.4 297 67 B T > - 0 0 75 -2,-0.4 4,-2.2 288,-0.2 5,-0.2 -0.214 31.3-102.9 -76.7 171.0 -26.2 31.9 -51.9 298 68 B R H > S+ 0 0 79 286,-0.3 4,-2.7 2,-0.2 5,-0.2 0.938 121.8 49.5 -59.4 -49.5 -28.3 34.9 -53.0 299 69 B S H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 109.6 52.2 -63.6 -38.0 -28.6 36.2 -49.4 300 70 B T H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 112.6 44.8 -58.2 -49.7 -24.8 35.8 -48.8 301 71 B V H X S+ 0 0 8 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.882 111.6 53.0 -65.6 -39.3 -24.1 37.9 -52.0 302 72 B I H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.934 110.5 47.4 -58.7 -47.7 -26.8 40.5 -51.0 303 73 B Q H X S+ 0 0 72 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.876 111.6 51.3 -63.4 -37.8 -25.1 40.9 -47.6 304 74 B L H >X S+ 0 0 4 -4,-2.3 4,-1.2 2,-0.2 3,-0.8 0.949 111.2 47.2 -61.5 -49.0 -21.7 41.2 -49.3 305 75 B L H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.850 107.9 56.6 -63.2 -33.9 -23.0 43.9 -51.6 306 76 B N H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.773 110.1 45.9 -66.3 -25.1 -24.6 45.7 -48.7 307 77 B N H << S+ 0 0 26 -4,-1.1 2,-0.6 -3,-0.8 -2,-0.2 0.693 104.9 65.0 -88.4 -22.4 -21.2 45.8 -47.0 308 78 B I < + 0 0 0 -4,-1.2 -1,-0.1 -3,-0.2 262,-0.1 -0.923 47.0 148.5-113.7 116.7 -19.1 47.0 -50.0 309 79 B S + 0 0 64 -2,-0.6 2,-0.3 1,-0.0 -1,-0.1 0.566 55.6 56.7-120.6 -19.1 -19.8 50.5 -51.5 310 80 B T S > S- 0 0 60 1,-0.1 4,-1.8 288,-0.0 5,-0.1 -0.821 76.7-120.8-120.1 160.1 -16.4 51.8 -52.8 311 81 B K H > S+ 0 0 148 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.897 114.8 57.4 -64.4 -40.0 -13.9 50.6 -55.4 312 82 B R H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 107.4 48.4 -52.7 -46.5 -11.2 50.6 -52.6 313 83 B E H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.841 109.4 52.9 -64.8 -36.6 -13.4 48.3 -50.6 314 84 B V H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.960 110.7 45.8 -61.1 -51.5 -13.9 46.0 -53.6 315 85 B E H X S+ 0 0 92 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.835 111.5 52.9 -65.9 -34.5 -10.1 45.7 -54.2 316 86 B Q H X S+ 0 0 21 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.939 111.6 45.5 -61.5 -50.2 -9.4 45.1 -50.5 317 87 B Y H X S+ 0 0 3 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.916 113.2 49.7 -60.3 -45.3 -12.0 42.2 -50.5 318 88 B L H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.873 103.7 60.6 -63.0 -39.1 -10.6 40.7 -53.7 319 89 B K H < S+ 0 0 106 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.896 117.2 30.4 -54.4 -44.1 -7.0 40.9 -52.4 320 90 B Y H >< S+ 0 0 35 -4,-1.4 3,-0.7 -3,-0.2 -2,-0.2 0.850 117.4 56.1 -88.0 -34.8 -7.9 38.6 -49.5 321 91 B F H 3< S+ 0 0 10 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.874 117.9 34.9 -60.0 -39.5 -10.7 36.6 -51.2 322 92 B T T 3< S+ 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.312 89.0 140.6-100.1 7.5 -8.4 35.5 -54.1 323 93 B S < + 0 0 39 -3,-0.7 -3,-0.1 1,-0.1 -4,-0.0 -0.194 25.9 173.1 -61.1 138.6 -5.2 35.2 -52.0 324 94 B V + 0 0 150 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.176 61.3 78.8-119.9 9.2 -2.7 32.4 -52.7 325 95 B S S S- 0 0 72 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 -0.349 95.7 -95.7-108.0-170.9 -0.1 33.7 -50.2 326 96 B Q S S+ 0 0 121 -2,-0.1 -3,-0.0 2,-0.1 -1,-0.0 0.364 75.1 130.8 -92.2 4.8 0.3 33.6 -46.4 327 97 B Q - 0 0 60 1,-0.1 2,-0.4 166,-0.0 165,-0.1 -0.234 49.7-137.6 -58.2 146.1 -1.2 37.1 -45.9 328 98 B Q - 0 0 11 163,-0.5 166,-2.0 164,-0.3 167,-0.1 -0.925 13.4-159.9-115.5 136.3 -3.9 37.3 -43.2 329 99 B F - 0 0 9 -2,-0.4 166,-2.4 30,-0.3 2,-0.3 0.932 69.7 -6.5 -72.0 -51.1 -7.2 39.1 -43.3 330 100 B A E -s 495 0K 0 29,-0.3 31,-2.9 164,-0.2 2,-0.5 -1.000 36.6-154.9-155.0 144.8 -7.9 39.4 -39.6 331 101 B V E -st 496 361K 1 164,-1.9 166,-2.3 -2,-0.3 2,-0.5 -0.998 28.4-169.8-112.5 121.2 -7.2 38.5 -36.0 332 102 B I E -st 497 362K 0 29,-3.0 31,-2.5 -2,-0.5 2,-0.5 -0.961 8.6-158.4-116.6 117.9 -10.4 38.8 -34.0 333 103 B K E -st 498 363K 23 164,-3.0 166,-3.2 -2,-0.5 2,-0.5 -0.833 10.6-157.1 -92.6 130.6 -10.2 38.6 -30.2 334 104 B V E -st 499 364K 0 29,-2.6 31,-2.3 -2,-0.5 166,-0.1 -0.935 15.7-127.0-112.4 120.0 -13.5 37.6 -28.6 335 105 B G >> - 0 0 13 164,-1.7 3,-1.3 -2,-0.5 4,-0.6 -0.416 23.3-123.6 -59.6 136.4 -14.3 38.5 -25.0 336 106 B G H >> S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 4,-0.8 0.854 107.3 64.0 -49.9 -41.8 -15.4 35.4 -23.1 337 107 B A H >> S+ 0 0 19 1,-0.3 4,-2.4 2,-0.2 3,-0.5 0.814 91.4 64.5 -55.5 -33.8 -18.7 37.0 -22.1 338 108 B I H <> S+ 0 0 5 -3,-1.3 4,-2.5 1,-0.2 -1,-0.3 0.841 96.0 57.9 -62.5 -31.7 -19.9 37.1 -25.7 339 109 B I H << S+ 0 0 0 -3,-1.3 4,-0.3 -4,-0.6 -1,-0.2 0.849 116.7 33.3 -69.6 -33.9 -19.8 33.3 -25.9 340 110 B S H << S+ 0 0 60 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.759 129.0 36.9 -84.3 -28.7 -22.3 33.0 -23.0 341 111 B D H < S+ 0 0 98 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.732 132.8 9.4-101.2 -28.2 -24.3 36.2 -23.8 342 112 B N S X S+ 0 0 54 -4,-2.5 4,-1.8 -5,-0.3 5,-0.2 -0.187 71.9 143.3-153.5 45.3 -24.6 36.7 -27.5 343 113 B L H > S+ 0 0 37 -4,-0.3 4,-3.0 1,-0.2 5,-0.2 0.863 70.1 54.8 -66.6 -40.5 -23.4 33.4 -29.2 344 114 B H H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 110.4 45.0 -63.8 -43.0 -25.8 33.3 -32.1 345 115 B E H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 115.3 48.6 -66.4 -42.1 -25.0 36.8 -33.4 346 116 B L H X S+ 0 0 0 -4,-1.8 4,-2.4 -8,-0.2 5,-0.2 0.955 113.8 45.8 -60.3 -51.8 -21.3 36.1 -33.0 347 117 B A H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.909 112.7 51.1 -59.3 -43.9 -21.5 32.8 -34.8 348 118 B S H X S+ 0 0 43 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.851 109.8 49.6 -62.7 -38.7 -23.7 34.3 -37.6 349 119 B C H X S+ 0 0 13 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.920 113.1 45.6 -67.0 -44.6 -21.2 37.1 -38.2 350 120 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.871 110.3 55.6 -65.5 -35.8 -18.3 34.8 -38.4 351 121 B A H X S+ 0 0 6 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.852 103.3 54.4 -66.2 -36.1 -20.3 32.5 -40.7 352 122 B F H X S+ 0 0 7 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.933 108.5 49.0 -60.5 -45.9 -21.0 35.3 -43.1 353 123 B L H ><>S+ 0 0 0 -4,-1.5 5,-2.8 1,-0.2 3,-0.8 0.930 111.9 48.5 -58.1 -48.8 -17.2 36.0 -43.4 354 124 B Y H ><5S+ 0 0 35 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.895 108.2 55.5 -57.4 -41.5 -16.6 32.3 -44.0 355 125 B H H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.649 106.5 49.7 -74.1 -15.0 -19.4 32.2 -46.6 356 126 B V T <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.111 126.4-102.0-102.5 19.8 -17.7 35.1 -48.6 357 127 B G T < 5S+ 0 0 6 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.746 78.0 134.1 73.5 26.9 -14.4 33.1 -48.4 358 128 B L < - 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