==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 13-JAN-08 3BXG . COMPND 2 MOLECULE: CENTRAL GLYCOLYTIC GENE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR P.REZACOVA,Z.OTWINOWSKI . 500 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 19 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 0 1 5 2 5 1 2 3 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 2 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 PARALLEL BRIDGES PER LADDER . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 93 A G 0 0 130 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.3 63.3 71.4 87.6 2 94 A L - 0 0 78 1,-0.1 2,-0.1 2,-0.1 17,-0.1 -0.421 360.0-121.9 -70.5 147.2 66.5 72.5 85.8 3 95 A T > - 0 0 78 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.345 34.8-103.4 -71.5 167.0 69.6 70.3 85.5 4 96 A L H > S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.892 125.6 54.3 -59.6 -36.8 72.7 71.7 86.9 5 97 A L H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 110.8 44.1 -63.8 -44.2 73.8 72.5 83.4 6 98 A E H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.923 114.1 50.8 -65.1 -44.5 70.6 74.4 82.7 7 99 A K H X S+ 0 0 98 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.920 112.1 46.7 -59.8 -44.7 70.8 76.2 86.1 8 100 A T H X S+ 0 0 38 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.927 112.6 49.9 -65.8 -43.3 74.5 77.2 85.4 9 101 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 6,-0.3 0.928 108.6 52.1 -60.1 -45.7 73.6 78.4 81.8 10 102 A K H X>S+ 0 0 80 -4,-2.6 5,-1.9 1,-0.2 4,-0.7 0.922 115.2 42.4 -57.3 -44.7 70.7 80.5 83.1 11 103 A E H ><5S+ 0 0 117 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.936 114.9 48.6 -68.2 -47.3 73.0 82.2 85.7 12 104 A R H 3<5S+ 0 0 130 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 123.2 32.3 -64.2 -39.1 76.0 82.6 83.4 13 105 A L H 3<5S- 0 0 4 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.361 103.9-123.5-100.7 4.4 73.9 84.2 80.6 14 106 A N T <<5 + 0 0 107 -4,-0.7 217,-0.5 -3,-0.6 216,-0.4 0.881 49.9 175.0 51.8 46.6 71.3 85.9 82.8 15 107 A L < - 0 0 10 -5,-1.9 218,-0.2 -6,-0.3 -1,-0.2 -0.423 46.3-133.4 -80.8 152.2 68.5 84.0 81.0 16 108 A K S S- 0 0 76 216,-2.2 2,-0.3 1,-0.3 217,-0.2 0.868 94.1 -20.5 -62.4 -39.2 64.8 84.2 81.8 17 109 A D E -a 233 0A 57 215,-0.9 217,-2.3 -7,-0.1 2,-0.4 -0.973 62.2-136.4-163.7 156.8 65.1 80.4 81.5 18 110 A A E -a 234 0A 3 -2,-0.3 2,-0.5 215,-0.2 217,-0.2 -0.986 13.1-174.9-123.3 136.2 67.4 77.7 79.9 19 111 A I E -a 235 0A 41 215,-2.8 217,-2.9 -2,-0.4 2,-0.6 -0.981 10.3-172.7-129.5 113.2 66.1 74.6 78.0 20 112 A I E -a 236 0A 23 -2,-0.5 217,-0.3 215,-0.2 2,-0.2 -0.933 6.0-161.1-116.8 116.5 68.9 72.3 76.9 21 113 A V E -a 237 0A 20 215,-2.8 217,-1.7 -2,-0.6 14,-0.1 -0.579 33.5 -91.8 -86.9 159.6 68.3 69.3 74.6 22 114 A S S S+ 0 0 90 -2,-0.2 -1,-0.1 215,-0.2 12,-0.1 -0.299 80.3 17.4 -71.7 149.9 70.7 66.4 74.4 23 115 A G S S- 0 0 27 214,-0.1 216,-2.1 1,-0.1 215,-0.7 -0.134 86.1 -72.9 90.7-178.7 73.6 66.1 71.9 24 116 A D >> - 0 0 29 214,-0.2 3,-1.9 215,-0.2 4,-1.3 -0.973 26.7-153.3-123.6 111.9 75.4 68.5 69.6 25 117 A S T 34 S+ 0 0 16 -2,-0.5 7,-0.2 1,-0.3 6,-0.1 0.709 97.9 60.7 -59.4 -23.2 73.5 69.8 66.5 26 118 A D T 34 S+ 0 0 71 1,-0.2 -1,-0.3 5,-0.1 -3,-0.0 0.738 117.9 30.0 -72.5 -24.7 76.9 70.3 64.7 27 119 A Q T <4 S+ 0 0 148 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.749 128.6 37.4 -83.8 -34.0 77.5 66.5 65.1 28 120 A S S >< S- 0 0 30 -4,-1.3 3,-2.0 1,-0.1 4,-0.3 -0.956 70.0-164.1-162.3 72.1 74.1 65.1 65.1 29 121 A P T > S+ 0 0 92 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.866 85.2 63.6 -53.9 -44.4 71.9 67.0 62.5 30 122 A W T >> S+ 0 0 153 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.601 83.5 79.9 -55.5 -15.4 68.5 65.8 63.9 31 123 A V H <> S+ 0 0 5 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.830 82.9 63.1 -65.2 -27.7 69.3 67.5 67.2 32 124 A K H <> S+ 0 0 66 -3,-2.1 4,-2.1 -4,-0.3 -1,-0.2 0.887 101.1 52.2 -61.0 -36.0 68.2 70.8 65.5 33 125 A K H <> S+ 0 0 123 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.2 0.846 106.6 52.3 -66.4 -37.6 64.8 69.1 65.2 34 126 A E H X S+ 0 0 68 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.886 107.8 50.9 -68.4 -38.1 64.8 68.3 68.9 35 127 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.920 110.6 50.8 -58.1 -44.7 65.6 72.0 69.6 36 128 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.935 110.0 49.1 -57.3 -47.2 62.6 72.9 67.4 37 129 A R H X S+ 0 0 132 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 113.3 46.1 -59.5 -47.3 60.3 70.4 69.3 38 130 A A H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.869 111.7 51.8 -64.6 -39.3 61.4 71.9 72.7 39 131 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.902 107.4 52.8 -63.6 -45.3 61.0 75.5 71.4 40 132 A V H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.915 110.2 48.1 -56.9 -43.2 57.4 74.7 70.2 41 133 A A H X S+ 0 0 52 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.906 110.8 51.6 -66.4 -38.0 56.6 73.3 73.7 42 134 A C H X S+ 0 0 14 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.913 108.5 50.8 -62.7 -44.8 58.1 76.5 75.3 43 135 A M H >X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-1.0 0.924 107.9 53.1 -56.7 -49.0 56.0 78.8 73.1 44 136 A K H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 104.9 54.4 -59.6 -34.5 52.8 76.9 74.0 45 137 A K H 3< S+ 0 0 172 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.745 112.6 45.5 -67.1 -24.2 53.5 77.4 77.7 46 138 A R H << S+ 0 0 113 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.584 82.5 117.5 -97.8 -18.0 53.8 81.1 77.1 47 139 A F < - 0 0 12 -4,-1.2 2,-0.2 -3,-0.2 4,-0.1 -0.281 46.2-159.1 -58.9 138.6 50.8 81.8 75.0 48 140 A S - 0 0 77 2,-0.3 28,-0.1 28,-0.1 -1,-0.1 -0.358 47.2 -78.4 -95.9-175.0 48.1 84.1 76.4 49 141 A G S S+ 0 0 55 -2,-0.2 27,-2.5 26,-0.1 2,-0.3 0.851 121.9 24.1 -55.9 -39.3 44.6 84.2 75.1 50 142 A K E S-b 76 0A 153 25,-0.2 2,-0.4 2,-0.0 -2,-0.3 -0.979 78.7-171.3-131.7 144.6 45.6 86.2 72.0 51 143 A N E -b 77 0A 9 25,-1.3 27,-1.9 -2,-0.3 2,-0.5 -0.996 24.5-164.0-144.0 141.0 49.1 86.3 70.5 52 144 A I E -b 78 0A 37 -2,-0.4 91,-2.4 25,-0.2 92,-1.8 -0.965 23.8-164.5-124.2 109.3 51.2 88.1 68.0 53 145 A V E -bc 79 144A 0 25,-3.5 27,-2.6 -2,-0.5 2,-0.4 -0.841 4.6-161.7-105.8 113.5 54.3 86.1 67.3 54 146 A A E -bc 80 145A 0 90,-3.1 92,-2.7 -2,-0.7 2,-0.3 -0.737 16.2-173.6 -92.2 136.2 57.2 87.7 65.6 55 147 A V E -bc 81 146A 0 25,-2.2 27,-2.6 -2,-0.4 28,-0.3 -0.953 16.7-145.1-130.0 149.3 59.7 85.3 64.0 56 148 A T - 0 0 13 90,-1.9 37,-0.1 -2,-0.3 24,-0.0 -0.571 23.9-118.6 -96.7 174.1 63.1 85.4 62.3 57 149 A G + 0 0 15 -2,-0.2 4,-0.4 40,-0.1 91,-0.3 0.105 55.1 105.3 -86.6-151.7 64.3 83.2 59.5 58 150 A G S > S- 0 0 7 34,-1.5 4,-1.7 1,-0.1 5,-0.1 -0.034 81.9 -78.1 92.1 161.8 67.3 80.8 59.4 59 151 A T H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.773 124.1 57.5 -70.4 -27.6 67.4 77.0 59.6 60 152 A T H > S+ 0 0 5 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.936 109.3 42.7 -71.6 -45.5 66.8 76.8 63.3 61 153 A I H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.852 109.3 59.8 -69.4 -27.8 63.6 78.7 63.4 62 154 A E H X S+ 0 0 48 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.899 104.0 51.8 -62.2 -36.1 62.6 76.7 60.2 63 155 A A H X S+ 0 0 14 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.831 106.6 52.3 -67.3 -34.6 63.0 73.6 62.5 64 156 A V H X S+ 0 0 0 -4,-1.4 4,-0.7 2,-0.2 3,-0.4 0.951 111.2 48.0 -59.1 -50.7 60.7 75.2 65.0 65 157 A A H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.905 109.0 52.8 -57.5 -44.3 58.2 75.7 62.2 66 158 A E H 3< S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 113.5 43.6 -62.8 -31.5 58.6 72.1 61.1 67 159 A M H 3< S+ 0 0 47 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.458 88.8 118.0 -93.8 -2.0 57.8 70.8 64.6 68 160 A M << + 0 0 5 -3,-1.0 -31,-0.1 -4,-0.7 -3,-0.0 -0.363 38.9 178.6 -67.5 141.4 54.9 73.3 65.2 69 161 A T - 0 0 72 36,-0.1 36,-0.1 -29,-0.1 35,-0.1 -0.928 39.0 -76.6-134.6 161.0 51.5 71.7 65.8 70 162 A P - 0 0 68 0, 0.0 2,-0.6 0, 0.0 36,-0.1 -0.222 53.5-101.4 -56.1 150.1 48.1 73.3 66.5 71 163 A D > - 0 0 14 34,-0.6 3,-1.9 4,-0.2 6,-0.0 -0.655 20.5-152.2 -77.3 116.6 47.5 74.6 70.0 72 164 A S T 3 S+ 0 0 122 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.735 100.3 54.9 -62.0 -22.9 45.4 72.2 72.0 73 165 A K T 3 S- 0 0 150 -29,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.533 105.8-135.1 -85.1 -7.3 44.1 75.2 74.0 74 166 A N < + 0 0 145 -3,-1.9 -2,-0.1 1,-0.1 3,-0.1 0.835 37.8 174.7 58.9 39.8 43.0 76.8 70.7 75 167 A R - 0 0 42 1,-0.1 2,-0.4 -25,-0.0 -25,-0.2 -0.313 41.5 -91.6 -74.8 158.2 44.5 80.3 71.6 76 168 A E E -b 50 0A 119 -27,-2.5 -25,-1.3 -28,-0.1 2,-0.5 -0.617 48.4-170.6 -76.3 126.1 44.4 83.0 69.0 77 169 A L E +b 51 0A 12 -2,-0.4 31,-2.4 -27,-0.2 2,-0.4 -0.965 16.3 172.7-128.4 119.0 47.7 83.0 67.0 78 170 A L E -bd 52 108A 39 -27,-1.9 -25,-3.5 -2,-0.5 2,-0.4 -0.993 16.4-159.5-121.5 125.8 48.9 85.6 64.5 79 171 A F E +bd 53 109A 0 29,-2.6 31,-2.0 -2,-0.4 -25,-0.2 -0.836 14.2 170.1-107.5 142.2 52.5 85.3 63.1 80 172 A V E -b 54 0A 0 -27,-2.6 -25,-2.2 -2,-0.4 2,-0.2 -0.979 38.5-103.6-141.9 153.5 54.6 88.0 61.5 81 173 A P E -b 55 0A 0 0, 0.0 -25,-0.2 0, 0.0 117,-0.2 -0.553 27.0-134.9 -70.7 146.9 58.2 88.3 60.4 82 174 A A S S+ 0 0 1 -27,-2.6 116,-2.7 -2,-0.2 2,-0.3 0.900 81.7 6.9 -65.8 -45.0 60.3 90.3 62.9 83 175 A R B S-G 197 0B 6 -28,-0.3 114,-0.2 114,-0.2 29,-0.2 -0.793 76.7-108.3-136.4 169.4 62.1 92.3 60.1 84 176 A G S S- 0 0 10 112,-1.5 10,-0.2 1,-0.3 -1,-0.2 0.095 79.8 -17.3 -78.7-156.7 62.0 92.9 56.4 85 177 A G + 0 0 52 29,-0.5 -1,-0.3 1,-0.1 111,-0.1 -0.219 52.1 176.6 -55.5 127.7 64.6 91.6 54.0 86 178 A L - 0 0 28 -3,-0.1 -1,-0.1 2,-0.1 74,-0.1 0.217 60.9 -95.8-109.6 10.0 67.9 90.6 55.8 87 179 A G S S+ 0 0 39 1,-0.3 73,-0.7 72,-0.1 2,-0.1 0.520 77.4 144.2 86.7 8.5 69.6 89.3 52.6 88 180 A E - 0 0 19 71,-0.2 -1,-0.3 1,-0.1 71,-0.1 -0.402 55.3-106.7 -75.3 151.3 68.8 85.6 53.2 89 181 A D >> - 0 0 117 69,-0.2 3,-2.1 -2,-0.1 4,-0.7 -0.370 47.4 -91.8 -68.7 162.7 67.9 83.2 50.3 90 182 A V G >4 S+ 0 0 59 1,-0.3 3,-1.5 2,-0.2 6,-0.3 0.850 124.6 54.5 -52.5 -45.0 64.2 82.3 50.1 91 183 A K G 34 S+ 0 0 154 1,-0.3 -1,-0.3 5,-0.1 -33,-0.0 0.711 114.6 42.9 -62.9 -18.8 64.4 79.2 52.3 92 184 A N G <4 S+ 0 0 9 -3,-2.1 -34,-1.5 -35,-0.1 -1,-0.3 0.436 86.8 116.1-105.0 -1.1 66.0 81.2 55.1 93 185 A Q S XX S- 0 0 71 -3,-1.5 4,-2.0 -4,-0.7 3,-0.8 -0.449 70.4-127.7 -75.8 142.4 63.8 84.4 54.9 94 186 A A H 3> S+ 0 0 18 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.856 110.3 59.7 -54.4 -37.3 61.6 85.3 57.9 95 187 A N H 3> S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.876 107.0 46.2 -57.5 -41.6 58.6 85.6 55.5 96 188 A T H <> S+ 0 0 28 -3,-0.8 4,-2.1 -6,-0.3 -2,-0.2 0.933 114.9 45.0 -66.6 -48.7 59.1 81.9 54.5 97 189 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.921 111.6 55.1 -63.0 -42.1 59.5 80.7 58.1 98 190 A C H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.931 109.4 44.7 -57.1 -52.3 56.5 82.8 59.2 99 191 A A H X S+ 0 0 12 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.891 114.7 49.8 -61.1 -41.6 54.1 81.4 56.6 100 192 A H H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 111.6 47.4 -63.7 -44.2 55.3 77.8 57.4 101 193 A M H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.928 112.1 49.7 -65.8 -42.5 54.9 78.2 61.2 102 194 A A H X>S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.2 4,-0.6 0.895 111.1 49.1 -63.0 -43.2 51.4 79.7 60.9 103 195 A E H ><5S+ 0 0 89 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.934 112.7 47.6 -60.7 -46.7 50.2 76.9 58.5 104 196 A K H 3<5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.821 114.7 46.7 -64.4 -33.0 51.6 74.3 60.9 105 197 A A H 3<5S- 0 0 4 -4,-2.0 -34,-0.6 -5,-0.2 -1,-0.2 0.491 107.8-124.0 -81.4 -9.1 50.0 76.1 63.9 106 198 A S T <<5S+ 0 0 97 -3,-1.0 -3,-0.2 -4,-0.6 -29,-0.2 0.907 72.9 126.0 55.9 40.9 46.7 76.5 62.1 107 199 A G < - 0 0 26 -5,-3.1 2,-0.3 -6,-0.2 -29,-0.2 -0.333 61.3-102.9-108.0-165.6 47.1 80.2 62.8 108 200 A T E -d 78 0A 89 -31,-2.4 -29,-2.6 -2,-0.1 2,-0.3 -0.786 33.6-168.2-117.9 165.9 47.0 83.3 60.6 109 201 A Y E -d 79 0A 17 -2,-0.3 2,-0.3 -31,-0.2 237,-0.3 -0.985 16.6-153.1-151.4 161.0 49.9 85.4 59.3 110 202 A R - 0 0 58 -31,-2.0 2,-0.3 -2,-0.3 234,-0.0 -0.965 19.4-147.9-130.7 149.8 50.9 88.6 57.6 111 203 A L - 0 0 21 -2,-0.3 2,-0.6 -31,-0.1 24,-0.1 -0.802 14.3-125.3-117.5 157.7 54.1 89.1 55.6 112 204 A L - 0 0 2 -2,-0.3 2,-0.9 -29,-0.2 -17,-0.1 -0.922 22.4-164.6 -97.9 118.0 56.4 92.1 55.0 113 205 A F + 0 0 53 -2,-0.6 19,-0.1 13,-0.1 -29,-0.1 -0.754 32.2 140.2-109.5 85.6 56.6 92.7 51.2 114 206 A V - 0 0 25 -2,-0.9 -29,-0.5 82,-0.1 82,-0.1 -0.840 42.0-126.2-129.1 92.2 59.6 95.0 50.8 115 207 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.314 2.1-125.7 -60.1 158.1 61.9 94.3 47.9 116 208 A G S S+ 0 0 49 1,-0.0 3,-0.1 7,-0.0 0, 0.0 -0.360 84.7 8.8 100.4 64.8 64.7 93.8 47.2 117 209 A Q S S+ 0 0 186 1,-0.2 269,-0.1 -2,-0.2 2,-0.0 0.163 86.2 128.8 81.7 -16.9 66.8 95.7 44.6 118 210 A L - 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0 0 14 90,-1.7 37,-0.1 -2,-0.3 2,-0.0 -0.565 24.4-118.6 -95.8 174.0 45.1 83.9 40.1 312 149 B G + 0 0 15 -2,-0.2 4,-0.4 40,-0.1 91,-0.3 0.032 54.9 105.4 -88.9-153.2 44.9 83.3 43.9 313 150 B G S > S- 0 0 8 34,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.035 81.8 -78.9 93.4 161.5 42.1 81.8 45.9 314 151 B T H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.784 124.6 56.9 -66.8 -29.3 41.7 78.4 47.6 315 152 B T H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.955 108.9 42.9 -71.8 -45.6 40.9 76.6 44.3 316 153 B I H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.843 109.4 59.7 -71.3 -28.1 44.1 77.6 42.5 317 154 B E H X S+ 0 0 44 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.905 103.4 52.3 -58.6 -40.4 46.0 76.9 45.8 318 155 B A H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.864 106.6 52.2 -62.2 -39.1 44.6 73.3 45.4 319 156 B V H X S+ 0 0 0 -4,-1.5 4,-0.6 2,-0.2 3,-0.3 0.951 110.9 47.7 -56.1 -51.2 46.0 73.3 41.8 320 157 B A H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.916 109.2 53.5 -57.2 -44.1 49.4 74.3 43.2 321 158 B E H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.857 112.4 44.3 -61.1 -35.5 49.2 71.6 45.9 322 159 B M H 3< S+ 0 0 42 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.449 90.1 116.2 -89.1 -3.1 48.6 68.9 43.3 323 160 B M << - 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0 0 24 -3,-0.9 -247,-0.1 -244,-0.1 2,-0.1 -0.372 57.6-117.5 -61.3 137.9 49.3 103.3 46.7 374 211 B S > - 0 0 73 -249,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.369 32.0-102.7 -65.0 158.5 48.9 107.1 46.4 375 212 B Q H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.879 124.8 44.1 -46.3 -47.8 48.9 108.5 42.9 376 213 B G H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 112.9 50.4 -70.0 -42.1 52.5 109.8 43.4 377 214 B A H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.903 110.8 51.2 -61.0 -40.4 53.6 106.5 45.0 378 215 B Y H X S+ 0 0 99 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.917 105.4 53.8 -63.8 -47.1 52.1 104.6 42.1 379 216 B S H X S+ 0 0 71 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.920 111.2 47.7 -54.9 -44.2 53.9 106.7 39.4 380 217 B S H >< S+ 0 0 54 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.967 114.9 43.0 -60.1 -55.4 57.2 106.0 41.1 381 218 B I H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 6,-0.3 0.868 104.9 61.5 -66.6 -38.4 56.8 102.2 41.4 382 219 B I H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.714 103.0 53.0 -62.3 -22.0 55.3 101.5 38.0 383 220 B E T << S+ 0 0 114 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.473 79.3 118.6 -91.5 -6.4 58.5 102.8 36.4 384 221 B E X> - 0 0 19 -3,-1.8 4,-2.6 -4,-0.3 3,-0.6 -0.449 69.6-131.9 -61.3 129.1 60.8 100.5 38.4 385 222 B P H 3> S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.876 106.8 54.9 -49.1 -41.0 62.6 98.1 36.0 386 223 B S H 3> S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.883 111.4 43.7 -63.9 -35.9 61.7 95.1 38.2 387 224 B V H <> S+ 0 0 10 -3,-0.6 4,-2.5 -6,-0.3 5,-0.2 0.908 112.9 50.8 -76.0 -42.6 58.0 96.0 38.0 388 225 B K H X S+ 0 0 105 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.899 108.1 55.5 -57.9 -41.2 58.2 96.7 34.2 389 226 B E H X S+ 0 0 97 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.945 110.4 42.8 -57.9 -52.6 59.9 93.3 33.8 390 227 B V H X S+ 0 0 9 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.929 113.2 51.7 -63.1 -46.1 57.1 91.4 35.5 391 228 B L H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.930 109.8 50.6 -56.0 -44.8 54.3 93.3 33.7 392 229 B N H X S+ 0 0 106 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.898 109.2 50.7 -59.3 -41.2 56.0 92.6 30.4 393 230 B T H >< S+ 0 0 6 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.951 109.0 51.1 -60.1 -49.0 56.2 88.8 31.3 394 231 B I H >< S+ 0 0 8 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.881 102.1 62.2 -55.8 -39.6 52.5 88.8 32.2 395 232 B K H 3< S+ 0 0 172 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.714 105.8 46.4 -60.2 -24.0 51.8 90.4 28.8 396 233 B S T << S+ 0 0 74 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.121 79.2 152.0-105.0 22.8 53.3 87.3 27.1 397 234 B A < - 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