==== 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 3BXH . COMPND 2 MOLECULE: CENTRAL GLYCOLYTIC GENE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR P.REZACOVA,Z.OTWINOWSKI . 501 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 11.8 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 . 62 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 32.9 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 6 1 5 1 2 3 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 3 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 0 127 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.1 63.1 71.4 87.8 2 94 A L - 0 0 76 1,-0.1 17,-0.1 2,-0.1 2,-0.0 -0.381 360.0-121.1 -71.9 145.3 66.3 72.4 86.0 3 95 A T > - 0 0 79 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.298 36.4-102.6 -67.9 167.9 69.5 70.2 85.7 4 96 A L H > S+ 0 0 129 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.888 125.9 54.5 -61.1 -37.9 72.6 71.7 87.2 5 97 A L H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.0 44.3 -61.6 -43.5 73.7 72.5 83.6 6 98 A E H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 114.1 49.8 -66.4 -42.2 70.5 74.4 82.9 7 99 A K H X S+ 0 0 98 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.913 112.7 47.4 -62.7 -42.4 70.7 76.2 86.3 8 100 A T H X S+ 0 0 33 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.914 112.5 48.3 -67.3 -43.6 74.3 77.2 85.6 9 101 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.914 109.9 52.7 -63.4 -41.9 73.5 78.4 82.1 10 102 A K H X>S+ 0 0 79 -4,-2.5 5,-2.1 1,-0.2 4,-0.6 0.929 115.3 41.0 -59.8 -45.2 70.5 80.4 83.3 11 103 A E H ><5S+ 0 0 110 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.933 115.5 49.9 -67.0 -46.8 72.7 82.1 85.9 12 104 A R H 3<5S+ 0 0 134 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 122.4 31.8 -63.1 -41.4 75.7 82.6 83.6 13 105 A L H 3<5S- 0 0 4 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.351 104.6-122.4 -98.9 4.5 73.7 84.2 80.8 14 106 A N T <<5 + 0 0 108 -3,-0.7 217,-0.4 -4,-0.6 216,-0.4 0.922 50.3 175.8 51.5 51.3 71.0 85.9 83.0 15 107 A L < - 0 0 11 -5,-2.1 218,-0.2 -6,-0.3 3,-0.2 -0.480 45.1-134.5 -82.8 153.2 68.3 84.0 81.2 16 108 A K S S- 0 0 61 216,-2.4 2,-0.3 1,-0.3 217,-0.2 0.877 93.7 -19.5 -65.2 -39.6 64.6 84.0 82.1 17 109 A D E -a 233 0A 47 215,-0.8 217,-2.2 -7,-0.0 2,-0.4 -0.968 63.4-139.4-160.6 156.2 64.9 80.3 81.7 18 110 A A E -a 234 0A 2 -2,-0.3 2,-0.5 215,-0.2 217,-0.2 -0.991 11.9-174.1-124.2 135.2 67.2 77.7 80.0 19 111 A I E -a 235 0A 41 215,-2.7 217,-2.7 -2,-0.4 2,-0.5 -0.993 9.2-170.9-126.5 118.1 66.1 74.6 78.2 20 112 A I E -a 236 0A 23 -2,-0.5 217,-0.3 215,-0.2 2,-0.2 -0.955 4.7-161.0-118.4 118.4 68.9 72.2 77.1 21 113 A V E -a 237 0A 21 215,-2.7 217,-1.5 -2,-0.5 14,-0.1 -0.584 33.9 -91.2 -91.0 160.4 68.2 69.3 74.8 22 114 A S S S+ 0 0 89 -2,-0.2 -1,-0.1 215,-0.2 12,-0.1 -0.342 80.0 15.9 -73.0 147.7 70.7 66.4 74.5 23 115 A G S S- 0 0 26 1,-0.1 216,-2.1 214,-0.1 215,-0.7 -0.177 85.3 -72.6 95.8-178.7 73.6 66.2 72.0 24 116 A D >> - 0 0 30 214,-0.2 4,-2.9 215,-0.2 3,-2.1 -0.965 26.8-156.0-123.5 109.3 75.5 68.6 69.8 25 117 A S T 34 S+ 0 0 13 -2,-0.5 7,-0.2 1,-0.3 -1,-0.1 0.682 94.7 63.9 -60.7 -17.7 73.5 69.7 66.7 26 118 A D T 34 S+ 0 0 68 1,-0.1 -1,-0.3 5,-0.1 -3,-0.0 0.709 116.9 27.5 -76.2 -20.1 76.9 70.4 64.9 27 119 A Q T <4 S+ 0 0 149 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.722 129.7 38.6-105.1 -34.0 77.7 66.7 65.1 28 120 A S S >< S- 0 0 32 -4,-2.9 3,-2.1 1,-0.1 4,-0.3 -0.922 70.8-163.1-122.3 97.0 74.1 65.1 65.1 29 121 A P T > S+ 0 0 94 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.820 83.7 64.7 -58.8 -34.3 72.0 67.2 62.7 30 122 A W T >> S+ 0 0 155 1,-0.3 4,-1.2 2,-0.2 3,-0.7 0.624 81.7 80.0 -61.9 -16.6 68.7 65.9 64.0 31 123 A V H <> S+ 0 0 6 -3,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.820 83.0 63.5 -63.0 -26.8 69.4 67.5 67.3 32 124 A K H <> S+ 0 0 64 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.3 0.888 99.3 54.2 -60.1 -38.0 68.2 70.8 65.6 33 125 A K H <> S+ 0 0 128 -3,-0.7 4,-2.5 -4,-0.4 -1,-0.2 0.845 106.5 51.2 -63.2 -37.7 64.8 69.0 65.3 34 126 A E H X S+ 0 0 70 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.884 107.9 50.7 -69.6 -38.5 64.8 68.4 69.1 35 127 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 110.9 51.5 -57.7 -44.1 65.6 72.0 69.8 36 128 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.936 110.2 47.9 -57.8 -48.5 62.6 72.8 67.5 37 129 A R H X S+ 0 0 135 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.897 113.3 47.1 -61.2 -43.9 60.3 70.4 69.5 38 130 A A H X S+ 0 0 22 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.876 110.9 52.0 -66.1 -38.4 61.4 71.9 72.8 39 131 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.906 107.9 51.6 -65.0 -44.1 60.9 75.5 71.6 40 132 A V H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 110.1 48.9 -58.5 -44.1 57.4 74.6 70.4 41 133 A A H X S+ 0 0 54 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.914 111.7 50.2 -62.2 -39.9 56.5 73.2 73.8 42 134 A C H X S+ 0 0 10 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.907 108.5 51.4 -63.3 -45.6 57.9 76.4 75.4 43 135 A M H >X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-1.0 0.935 108.0 52.9 -56.3 -49.0 55.9 78.6 73.1 44 136 A K H 3< S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 105.3 54.3 -58.5 -35.7 52.7 76.7 74.1 45 137 A K H 3< S+ 0 0 183 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.760 112.9 44.0 -65.5 -27.2 53.4 77.2 77.8 46 138 A R H << S+ 0 0 63 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.559 85.2 115.6-101.9 -7.4 53.7 81.0 77.3 47 139 A F < - 0 0 12 -4,-1.2 2,-0.2 -3,-0.2 4,-0.1 -0.307 47.3-157.2 -61.9 143.1 50.7 81.7 75.0 48 140 A S - 0 0 75 2,-0.3 28,-0.1 28,-0.1 3,-0.1 -0.386 45.4 -80.6 -99.5-174.3 47.8 83.8 76.2 49 141 A G S S+ 0 0 54 1,-0.2 27,-2.6 -2,-0.2 2,-0.4 0.851 122.7 29.4 -55.8 -36.2 44.3 83.8 74.9 50 142 A K E S-b 76 0A 156 25,-0.2 2,-0.4 2,-0.0 -2,-0.3 -0.988 78.1-173.8-131.9 139.6 45.5 86.0 72.0 51 143 A N E -b 77 0A 9 25,-1.5 27,-1.9 -2,-0.4 2,-0.5 -0.991 23.9-167.7-142.3 137.0 49.0 86.0 70.5 52 144 A I E -b 78 0A 36 -2,-0.4 91,-2.4 25,-0.2 92,-1.8 -0.966 23.1-166.2-122.6 110.5 51.1 87.9 68.0 53 145 A V E -bc 79 144A 0 25,-3.2 27,-2.5 -2,-0.5 2,-0.4 -0.869 5.8-160.9-107.5 111.4 54.2 85.9 67.4 54 146 A A E -bc 80 145A 0 90,-3.0 92,-2.6 -2,-0.7 2,-0.3 -0.757 16.7-171.4 -90.6 137.6 57.1 87.6 65.6 55 147 A V E -bc 81 146A 0 25,-2.1 27,-2.5 -2,-0.4 28,-0.4 -0.943 15.7-144.0-131.6 145.8 59.7 85.1 64.1 56 148 A T - 0 0 16 90,-1.8 37,-0.1 -2,-0.3 2,-0.1 -0.522 24.0-117.8 -94.6 172.5 63.1 85.3 62.5 57 149 A G + 0 0 16 -2,-0.2 4,-0.4 40,-0.1 91,-0.3 -0.007 56.6 103.6 -88.1-156.2 64.4 83.2 59.6 58 150 A G S > S- 0 0 8 34,-1.3 4,-1.8 1,-0.1 5,-0.1 -0.042 81.9 -80.1 94.5 160.3 67.3 80.8 59.6 59 151 A T H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.782 123.5 58.0 -69.6 -29.5 67.4 77.0 59.7 60 152 A T H > S+ 0 0 6 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.940 110.1 41.3 -69.2 -44.3 66.9 76.7 63.5 61 153 A I H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.845 109.3 60.5 -74.5 -25.4 63.6 78.6 63.5 62 154 A E H X S+ 0 0 46 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.906 103.4 52.2 -61.2 -37.7 62.7 76.7 60.4 63 155 A A H X S+ 0 0 14 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.824 105.9 52.8 -64.8 -34.4 63.1 73.6 62.6 64 156 A V H X S+ 0 0 0 -4,-1.3 4,-0.7 2,-0.2 3,-0.4 0.947 110.9 47.9 -61.4 -49.6 60.7 75.2 65.2 65 157 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.917 108.4 53.7 -58.1 -45.1 58.2 75.7 62.4 66 158 A E H 3< S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 113.1 43.6 -61.4 -31.1 58.6 72.1 61.2 67 159 A M H 3< S+ 0 0 44 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.474 88.8 117.1 -93.4 -3.3 57.9 70.8 64.7 68 160 A M << + 0 0 5 -3,-1.1 -31,-0.1 -4,-0.7 -3,-0.0 -0.347 39.9 179.7 -65.3 146.1 54.9 73.2 65.3 69 161 A T - 0 0 70 36,-0.1 36,-0.1 -29,-0.1 35,-0.1 -0.937 38.1 -76.6-139.3 160.1 51.5 71.6 65.8 70 162 A P - 0 0 73 0, 0.0 2,-0.5 0, 0.0 36,-0.1 -0.213 54.5 -98.8 -58.7 153.8 48.0 73.1 66.4 71 163 A D > - 0 0 14 34,-0.6 3,-1.9 4,-0.2 6,-0.0 -0.642 20.6-152.4 -76.6 116.7 47.3 74.4 69.9 72 164 A S T 3 S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.770 101.8 52.9 -59.7 -26.6 45.2 71.9 72.0 73 165 A K T 3 S- 0 0 147 2,-0.0 -1,-0.3 -3,-0.0 -2,-0.0 0.507 106.6-133.7 -85.2 -5.1 43.9 75.0 73.9 74 166 A N < + 0 0 145 -3,-1.9 -2,-0.1 1,-0.1 2,-0.1 0.853 39.3 174.8 53.2 44.3 42.8 76.6 70.5 75 167 A R - 0 0 41 1,-0.1 2,-0.4 -25,-0.0 -4,-0.2 -0.383 41.0 -91.9 -78.1 157.0 44.3 80.0 71.4 76 168 A E E -b 50 0A 123 -27,-2.6 -25,-1.5 -28,-0.1 2,-0.5 -0.604 47.6-171.6 -76.3 125.2 44.3 82.8 68.9 77 169 A L E +b 51 0A 11 -2,-0.4 31,-2.5 -27,-0.2 2,-0.5 -0.968 14.7 173.9-128.3 115.4 47.6 82.8 66.9 78 170 A L E -bd 52 108A 21 -27,-1.9 -25,-3.2 -2,-0.5 2,-0.4 -0.990 16.1-159.9-119.3 122.1 48.8 85.5 64.5 79 171 A F E +bd 53 109A 0 29,-2.8 31,-1.9 -2,-0.5 -25,-0.2 -0.827 14.4 169.6-105.3 142.4 52.4 85.1 63.1 80 172 A V E -b 54 0A 0 -27,-2.5 -25,-2.1 -2,-0.4 2,-0.2 -0.979 38.1-104.5-141.9 153.0 54.5 87.8 61.5 81 173 A P E -b 55 0A 0 0, 0.0 -25,-0.2 0, 0.0 117,-0.2 -0.554 26.2-135.0 -71.8 149.5 58.2 88.1 60.5 82 174 A A S S+ 0 0 1 -27,-2.5 116,-2.8 -2,-0.2 2,-0.2 0.906 81.4 8.7 -69.4 -43.4 60.2 90.2 62.9 83 175 A R B S-G 197 0B 6 -28,-0.4 114,-0.2 114,-0.2 29,-0.2 -0.787 76.1-108.1-134.4 169.9 62.0 92.2 60.2 84 176 A G S S- 0 0 9 112,-1.6 10,-0.2 1,-0.3 -1,-0.2 0.076 79.8 -22.9 -73.6-161.4 61.9 92.8 56.4 85 177 A G + 0 0 37 1,-0.1 -1,-0.3 8,-0.1 111,-0.1 -0.250 49.7 177.2 -46.8 131.2 64.6 91.5 54.2 86 178 A L - 0 0 32 -3,-0.1 -1,-0.1 2,-0.1 74,-0.1 0.102 62.7 -95.5-114.8 7.9 68.0 90.7 55.9 87 179 A G S S+ 0 0 45 1,-0.3 73,-0.6 72,-0.1 2,-0.1 0.604 76.2 146.3 86.7 11.8 69.5 89.3 52.7 88 180 A E - 0 0 17 71,-0.2 -1,-0.3 1,-0.1 71,-0.1 -0.429 54.4-105.2 -73.9 153.6 68.8 85.6 53.3 89 181 A D >> - 0 0 102 69,-0.2 3,-1.6 -2,-0.1 4,-0.6 -0.336 46.2 -91.9 -71.0 165.2 68.0 83.3 50.5 90 182 A V G >4 S+ 0 0 64 1,-0.3 3,-1.4 2,-0.2 6,-0.3 0.861 124.2 54.5 -51.6 -46.0 64.3 82.3 50.2 91 183 A K G 34 S+ 0 0 150 1,-0.3 -1,-0.3 5,-0.1 -33,-0.0 0.742 114.6 42.0 -61.8 -25.4 64.5 79.1 52.3 92 184 A N G <4 S+ 0 0 9 -3,-1.6 -34,-1.3 -35,-0.1 -1,-0.3 0.369 87.8 117.0-102.9 2.2 66.0 81.1 55.2 93 185 A Q XX - 0 0 67 -3,-1.4 4,-2.2 -4,-0.6 3,-0.8 -0.456 69.5-127.9 -76.2 142.5 63.9 84.2 55.1 94 186 A A H 3> S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 110.3 59.3 -53.4 -39.3 61.6 85.2 58.0 95 187 A N H 3> S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 108.3 45.8 -56.4 -39.3 58.6 85.5 55.6 96 188 A T H <> S+ 0 0 27 -3,-0.8 4,-2.1 -6,-0.3 -2,-0.2 0.938 114.7 44.8 -71.0 -51.5 59.2 81.8 54.6 97 189 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.909 112.5 54.6 -55.7 -43.4 59.6 80.5 58.2 98 190 A C H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.931 108.9 45.0 -60.7 -49.3 56.6 82.7 59.2 99 191 A A H X S+ 0 0 12 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.901 114.8 50.2 -61.7 -41.3 54.2 81.2 56.7 100 192 A H H X S+ 0 0 61 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 111.5 46.8 -62.7 -47.3 55.4 77.6 57.5 101 193 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.911 111.9 50.7 -63.5 -42.1 55.0 78.0 61.2 102 194 A A H X>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 4,-0.6 0.920 110.9 48.6 -62.3 -45.1 51.5 79.6 60.8 103 195 A E H ><5S+ 0 0 78 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.922 112.6 48.2 -59.0 -45.7 50.3 76.7 58.6 104 196 A K H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.7 46.3 -65.8 -32.0 51.7 74.1 61.0 105 197 A A H 3<5S- 0 0 3 -4,-2.0 -34,-0.6 -5,-0.2 -1,-0.2 0.488 106.9-124.2 -84.1 -7.6 50.0 75.9 63.9 106 198 A S T <<5S+ 0 0 95 -3,-0.9 -3,-0.2 -4,-0.6 -29,-0.2 0.886 73.3 125.7 56.0 40.8 46.6 76.3 62.1 107 199 A G < - 0 0 24 -5,-2.8 2,-0.3 -6,-0.2 -29,-0.2 -0.329 61.8-102.5-110.3-166.5 47.1 80.0 62.8 108 200 A T E -d 78 0A 89 -31,-2.5 -29,-2.8 -2,-0.1 2,-0.3 -0.782 33.1-167.5-117.0 164.9 47.0 83.1 60.6 109 201 A Y E -d 79 0A 19 -2,-0.3 2,-0.3 -31,-0.2 238,-0.3 -0.988 15.6-155.8-149.6 160.3 49.9 85.2 59.3 110 202 A R - 0 0 85 -31,-1.9 2,-0.3 -2,-0.3 235,-0.0 -0.973 18.9-147.2-130.9 148.7 50.9 88.4 57.6 111 203 A L - 0 0 23 -2,-0.3 2,-0.5 -31,-0.1 24,-0.1 -0.797 11.0-129.4-116.5 158.8 54.1 89.0 55.6 112 204 A L - 0 0 3 -2,-0.3 2,-0.8 -29,-0.2 -17,-0.1 -0.928 18.5-164.8-102.3 126.0 56.3 92.0 55.1 113 205 A F + 0 0 60 -2,-0.5 -29,-0.1 13,-0.1 19,-0.0 -0.771 35.9 128.4-115.2 88.7 57.0 92.7 51.5 114 206 A V + 0 0 23 -2,-0.8 4,-0.2 82,-0.1 255,-0.0 0.278 45.7 11.0-118.3-118.0 59.9 95.1 51.3 115 207 A P > + 0 0 48 0, 0.0 3,-1.2 0, 0.0 2,-0.1 0.700 63.1 127.5 -52.9 -80.8 63.4 95.7 49.7 116 208 A G T 3 S- 0 0 67 1,-0.2 7,-0.0 271,-0.0 -3,-0.0 -0.416 90.3 -24.6 70.0-141.4 64.3 93.3 46.9 117 209 A Q T 3 S+ 0 0 174 -2,-0.1 -1,-0.2 268,-0.0 270,-0.2 0.356 104.9 123.0 -85.8 5.5 65.5 94.9 43.6 118 210 A L < - 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0 0 15 -3,-1.5 -63,-0.2 -4,-0.5 3,-0.1 -0.724 66.4-151.0 -84.4 118.3 57.8 92.0 74.1 207 299 A P S S+ 0 0 73 0, 0.0 2,-0.6 0, 0.0 -63,-0.2 0.909 79.6 34.8 -57.2 -47.8 56.7 89.9 77.1 208 300 A D E +e 144 0A 27 -65,-1.7 -63,-2.1 24,-0.0 2,-0.5 -0.924 63.7 177.9-120.2 116.3 58.1 86.5 75.9 209 301 A I E -e 145 0A 6 -2,-0.6 24,-3.1 22,-0.5 2,-0.5 -0.970 5.2-172.9-115.4 125.5 61.3 86.1 74.0 210 302 A I E -ef 146 233A 0 -65,-3.1 -63,-2.4 -2,-0.5 2,-0.4 -0.972 4.2-165.1-119.3 115.5 62.5 82.7 73.0 211 303 A A E -ef 147 234A 0 22,-3.1 24,-3.2 -2,-0.5 2,-0.5 -0.846 2.5-166.1 -94.9 138.6 66.0 82.3 71.4 212 304 A V E + f 0 235A 0 -65,-2.4 -63,-0.4 -2,-0.4 2,-0.3 -0.972 30.7 129.0-127.8 112.5 66.7 78.9 69.8 213 305 A A + 0 0 0 22,-2.2 24,-0.3 -2,-0.5 2,-0.2 -0.914 18.5 148.7-165.7 134.7 70.3 78.3 68.9 214 306 A G + 0 0 3 -2,-0.3 -190,-0.1 22,-0.2 -65,-0.1 -0.862 15.5 104.8-154.2-169.7 72.8 75.5 69.5 215 307 A G S > S- 0 0 0 -2,-0.2 3,-2.1 -192,-0.2 4,-0.2 0.234 72.0 -96.2 96.9 139.0 75.8 73.5 68.4 216 308 A S G > S+ 0 0 32 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.815 120.6 66.6 -57.6 -30.5 79.3 73.8 69.8 217 309 A S G 3 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.653 101.0 50.6 -64.8 -15.9 80.3 76.2 67.0 218 310 A K G <> S+ 0 0 37 -3,-2.1 4,-2.7 1,-0.1 5,-0.3 0.339 77.2 100.8-103.4 5.5 77.8 78.8 68.5 219 311 A A H <> S+ 0 0 3 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.942 87.3 43.3 -57.5 -47.3 79.1 78.7 72.1 220 312 A E H > S+ 0 0 99 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.900 114.9 50.1 -63.2 -43.0 81.1 81.9 71.7 221 313 A A H > S+ 0 0 2 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.894 111.5 48.1 -64.1 -42.4 78.2 83.7 69.8 222 314 A I H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.946 111.0 49.9 -64.4 -49.2 75.6 82.7 72.4 223 315 A E H < S+ 0 0 67 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.925 112.8 47.7 -54.5 -45.6 77.7 83.8 75.3 224 316 A A H >< S+ 0 0 5 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.904 108.3 52.8 -67.3 -42.0 78.4 87.2 73.7 225 317 A Y H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.911 112.2 47.0 -59.3 -40.7 74.7 87.8 72.8 226 318 A F T 3< S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.321 79.3 99.6 -88.3 10.2 73.7 87.3 76.4 227 319 A K T < S+ 0 0 116 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.1 0.770 85.4 53.0 -63.2 -27.3 76.5 89.5 77.8 228 320 A K S < S- 0 0 84 -3,-0.8 2,-0.3 -4,-0.3 -41,-0.0 -0.771 109.5 -91.4 -99.9 157.2 73.7 92.1 78.1 229 321 A P + 0 0 111 0, 0.0 -215,-0.1 0, 0.0 -214,-0.1 -0.522 49.1 164.1 -68.2 123.5 70.4 91.4 79.9 230 322 A R - 0 0 26 -216,-0.4 3,-0.1 -2,-0.3 -215,-0.1 0.442 39.4-136.9-119.4 -3.9 67.8 90.2 77.4 231 323 A N + 0 0 103 -217,-0.4 -22,-0.5 1,-0.2 2,-0.3 0.871 56.9 147.9 43.3 49.2 65.1 88.7 79.7 232 324 A T - 0 0 1 -218,-0.3 -216,-2.4 -24,-0.1 -215,-0.8 -0.815 54.3-130.1-120.1 147.4 65.0 85.8 77.2 233 325 A V E -af 17 210A 0 -24,-3.1 -22,-3.1 -2,-0.3 2,-0.6 -0.835 28.2-152.1 -90.4 128.6 64.4 82.0 77.4 234 326 A L E -af 18 211A 0 -217,-2.2 -215,-2.7 -2,-0.5 2,-0.6 -0.924 11.3-167.0-106.2 127.0 67.1 80.1 75.6 235 327 A V E +af 19 212A 0 -24,-3.2 -22,-2.2 -2,-0.6 2,-0.2 -0.953 34.4 140.0-103.7 119.6 66.5 76.8 74.0 236 328 A T E -a 20 0A 1 -217,-2.7 -215,-2.7 -2,-0.6 2,-0.3 -0.714 42.8-107.5-144.9-171.1 69.9 75.2 73.2 237 329 A D E > -a 21 0A 0 -217,-0.3 4,-2.6 -24,-0.3 -215,-0.2 -0.801 32.7-103.4-126.3 171.3 71.7 71.9 73.2 238 330 A E H >>S+ 0 0 57 -217,-1.5 4,-2.9 -215,-0.7 5,-0.5 0.811 116.3 65.6 -62.3 -32.6 74.5 70.3 75.3 239 331 A G H >5S+ 0 0 10 -216,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.953 112.7 31.6 -54.7 -53.5 76.9 71.0 72.4 240 332 A A H >5S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.940 122.8 47.8 -68.0 -49.4 76.6 74.7 72.9 241 333 A A H X5S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -3,-0.2 0.913 111.4 47.1 -67.2 -45.2 76.0 74.7 76.7 242 334 A K H <>S+ 0 0 61 -4,-2.9 5,-2.9 2,-0.2 4,-0.4 0.892 115.1 47.2 -64.6 -37.6 78.8 72.4 77.8 243 335 A K H >< 0 0 96 0, 0.0 4,-2.7 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 126.7 37.6 56.9 30.2 251 87 B N H > + 0 0 125 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.889 360.0 54.2 -64.8 -36.8 35.8 53.8 31.7 252 88 B A H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 6,-0.3 0.948 112.4 42.8 -57.6 -51.7 35.8 55.4 35.2 253 89 B K H >>S+ 0 0 52 2,-0.2 5,-1.7 1,-0.2 6,-1.2 0.892 114.2 53.1 -62.7 -41.1 34.1 58.5 33.8 254 90 B D H ><5S+ 0 0 87 -4,-2.7 3,-1.3 4,-0.2 -2,-0.2 0.961 110.6 44.0 -58.0 -55.7 31.7 56.4 31.7 255 91 B V H 3<5S+ 0 0 119 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 114.4 51.0 -62.4 -33.8 30.5 54.2 34.6 256 92 B L H 3<5S- 0 0 105 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.544 112.3-118.5 -81.5 -7.1 30.1 57.3 36.9 257 93 B G T < + 0 0 5 -5,-1.7 4,-3.2 -6,-0.3 5,-0.2 0.830 63.4 62.1 -70.8 -33.9 30.7 61.9 34.1 259 95 B T H > S+ 0 0 55 -6,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.953 111.3 38.9 -57.2 -49.0 31.3 61.4 30.4 260 96 B L H > S+ 0 0 115 -7,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 114.5 53.8 -66.5 -43.3 27.7 62.4 29.6 261 97 B L H X S+ 0 0 26 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.916 109.1 49.6 -60.0 -41.8 27.7 65.1 32.3 262 98 B E H X S+ 0 0 32 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.929 111.1 48.6 -61.4 -46.8 30.9 66.7 30.7 263 99 B K H X S+ 0 0 135 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.936 113.5 47.4 -60.6 -43.3 29.3 66.7 27.2 264 100 B T H X S+ 0 0 59 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.923 114.3 46.1 -64.0 -44.8 26.1 68.2 28.6 265 101 B L H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.927 111.4 51.3 -65.6 -45.0 28.0 70.9 30.5 266 102 B K H X>S+ 0 0 81 -4,-2.9 5,-1.6 1,-0.2 4,-1.0 0.927 113.9 45.1 -55.9 -46.9 30.3 71.8 27.6 267 103 B E H <5S+ 0 0 135 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 112.9 50.7 -65.2 -40.7 27.3 72.2 25.3 268 104 B R H <5S+ 0 0 113 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 122.8 29.7 -64.2 -41.2 25.4 74.2 27.9 269 105 B L H <5S- 0 0 9 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.398 102.0-124.5-101.5 -0.6 28.2 76.7 28.6 270 106 B N T <5 + 0 0 140 -4,-1.0 216,-0.3 -5,-0.2 217,-0.3 0.930 50.0 172.6 52.3 52.4 29.9 76.6 25.1 271 107 B L < - 0 0 11 -5,-1.6 218,-0.2 -6,-0.2 3,-0.2 -0.507 48.8-125.3 -87.9 159.2 33.2 75.6 26.7 272 108 B K S S- 0 0 85 216,-2.4 2,-0.3 1,-0.4 217,-0.2 0.905 95.2 -24.4 -65.4 -40.6 36.4 74.6 24.9 273 109 B D E -k 489 0D 63 215,-0.9 217,-2.5 2,-0.0 2,-0.4 -0.958 60.7-139.1-163.2 160.4 36.1 71.5 27.2 274 110 B A E -k 490 0D 7 -2,-0.3 2,-0.4 215,-0.2 217,-0.2 -0.995 11.2-172.6-126.7 131.0 34.6 70.5 30.5 275 111 B I E -k 491 0D 24 215,-2.9 217,-2.9 -2,-0.4 2,-0.4 -0.998 11.3-173.2-121.4 122.9 36.3 68.2 33.1 276 112 B I E -k 492 0D 0 -2,-0.4 2,-0.3 215,-0.2 217,-0.3 -0.977 8.4-158.7-123.8 129.0 34.1 67.2 36.0 277 113 B V E -k 493 0D 14 215,-2.1 217,-1.6 -2,-0.4 14,-0.1 -0.730 34.8 -92.2 -99.2 155.2 35.3 65.3 39.1 278 114 B S S S+ 0 0 48 -2,-0.3 12,-0.1 215,-0.2 -1,-0.1 -0.295 80.8 17.1 -64.1 148.7 32.9 63.3 41.3 279 115 B G S S- 0 0 25 214,-0.1 216,-2.3 1,-0.1 215,-0.7 -0.229 85.5 -69.8 94.5-178.0 31.2 64.9 44.4 280 116 B D >> - 0 0 33 214,-0.2 4,-2.8 215,-0.2 3,-2.2 -0.960 25.8-156.7-124.8 110.0 30.5 68.3 45.8 281 117 B S T 34 S+ 0 0 19 -2,-0.5 7,-0.2 1,-0.3 -1,-0.1 0.699 94.6 63.8 -60.2 -20.5 33.4 70.3 47.2 282 118 B D T 34 S+ 0 0 68 1,-0.1 -1,-0.3 5,-0.1 -3,-0.0 0.736 117.9 27.2 -72.2 -20.8 31.1 72.3 49.4 283 119 B Q T <4 S+ 0 0 146 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.753 124.0 44.3-106.6 -37.8 30.3 69.0 51.2 284 120 B S >< - 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0 0 10 -3,-1.9 -63,-0.1 -4,-0.2 3,-0.1 -0.848 62.9-158.9 -97.1 112.9 46.3 83.5 25.8 463 299 B P S S+ 0 0 76 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.869 77.0 41.6 -63.1 -38.1 46.0 80.2 23.9 464 300 B D E +o 400 0D 32 -65,-1.4 -63,-2.2 24,-0.0 2,-0.5 -0.923 65.2 173.5-119.6 112.7 45.3 77.9 26.9 465 301 B I E -op 401 488D 5 -2,-0.6 24,-2.7 22,-0.5 2,-0.5 -0.975 7.3-172.1-121.0 128.6 42.9 79.1 29.7 466 302 B I E -op 402 489D 0 -65,-3.2 -63,-2.4 -2,-0.5 2,-0.4 -0.981 4.1-165.2-123.5 113.7 41.9 76.7 32.5 467 303 B A E -op 403 490D 0 22,-2.6 24,-3.1 -2,-0.5 2,-0.5 -0.825 4.2-166.5 -93.8 137.1 39.2 77.8 35.0 468 304 B V E + p 0 491D 0 -65,-2.5 -63,-0.5 -2,-0.4 2,-0.3 -0.956 30.2 129.1-128.9 110.8 39.0 75.7 38.2 469 305 B A + 0 0 0 22,-2.2 2,-0.2 -2,-0.5 24,-0.2 -0.923 18.8 149.7-162.6 135.6 35.9 76.2 40.3 470 306 B G + 0 0 3 -2,-0.3 -190,-0.1 22,-0.2 -65,-0.1 -0.846 15.6 103.9-154.0-170.0 33.3 74.0 41.9 471 307 B G S > S- 0 0 0 -2,-0.2 3,-2.4 -192,-0.2 4,-0.3 0.276 72.6 -95.4 95.8 135.8 30.8 73.3 44.6 472 308 B S G > S+ 0 0 33 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.792 121.6 66.3 -52.1 -32.0 27.0 73.7 44.4 473 309 B S G 3 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.734 100.1 51.9 -62.5 -23.8 27.3 77.3 45.9 474 310 B K G <> S+ 0 0 35 -3,-2.4 4,-2.6 1,-0.2 5,-0.3 0.380 75.8 103.4 -93.4 -1.2 29.1 78.3 42.7 475 311 B A H <> S+ 0 0 3 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.894 86.3 40.9 -51.2 -50.1 26.6 77.0 40.1 476 312 B E H > S+ 0 0 147 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.855 114.9 53.0 -67.5 -35.7 25.1 80.5 39.3 477 313 B A H > S+ 0 0 3 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 110.6 45.8 -65.9 -41.6 28.5 82.1 39.3 478 314 B I H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.934 112.7 50.7 -68.7 -45.6 30.0 79.7 36.9 479 315 B E H < S+ 0 0 50 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.928 112.0 47.4 -55.6 -47.7 26.9 79.9 34.6 480 316 B A H >< S+ 0 0 4 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.915 108.9 53.4 -62.1 -45.8 27.1 83.7 34.5 481 317 B Y H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.917 109.5 49.0 -57.8 -41.5 30.9 83.8 33.8 482 318 B F T 3< S+ 0 0 11 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.280 78.7 97.5 -89.2 14.4 30.5 81.6 30.8 483 319 B K T < S+ 0 0 118 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 0.772 85.1 56.7 -65.4 -26.0 27.6 83.6 29.3 484 320 B K S < S- 0 0 68 -3,-1.0 2,-0.4 -4,-0.3 -41,-0.1 -0.658 106.2 -91.4-100.7 156.5 30.4 85.2 27.1 485 321 B P + 0 0 121 0, 0.0 -2,-0.1 0, 0.0 -214,-0.1 -0.592 51.9 160.0 -65.3 126.5 32.9 83.5 24.8 486 322 B R - 0 0 26 -2,-0.4 3,-0.1 -216,-0.3 -215,-0.1 0.446 42.6-135.5-125.1 -5.0 36.0 82.8 26.9 487 323 B N + 0 0 93 -217,-0.3 -22,-0.5 1,-0.2 2,-0.3 0.912 57.9 148.7 46.2 53.5 37.7 80.0 24.9 488 324 B T E - p 0 465D 2 -24,-0.1 -216,-2.4 -6,-0.0 -215,-0.9 -0.850 53.9-136.0-127.8 145.6 38.2 78.2 28.3 489 325 B V E -kp 273 466D 2 -24,-2.7 -22,-2.6 -2,-0.3 2,-0.6 -0.895 27.6-149.9 -92.9 126.3 38.5 74.7 29.7 490 326 B L E -kp 274 467D 0 -217,-2.5 -215,-2.9 -2,-0.5 2,-0.6 -0.879 11.2-167.2-100.5 125.3 36.5 74.4 32.9 491 327 B V E +kp 275 468D 0 -24,-3.1 -22,-2.2 -2,-0.6 2,-0.2 -0.940 33.8 138.3-102.6 125.9 37.5 72.0 35.6 492 328 B T E -k 276 0D 1 -217,-2.9 -215,-2.1 -2,-0.6 2,-0.3 -0.714 42.4-108.1-149.6-170.4 34.6 71.6 38.1 493 329 B D E > -k 277 0D 0 -217,-0.3 4,-2.7 -24,-0.2 -215,-0.2 -0.798 33.3-100.5-128.0 172.9 32.7 69.0 40.2 494 330 B E H >>S+ 0 0 36 -217,-1.6 4,-2.8 -215,-0.7 5,-0.5 0.840 116.3 64.5 -59.3 -38.4 29.3 67.3 40.2 495 331 B G H >5S+ 0 0 10 -216,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.958 113.9 30.3 -49.7 -57.1 28.1 69.7 42.9 496 332 B A H >5S+ 0 0 1 2,-0.2 4,-2.6 3,-0.1 -2,-0.2 0.940 122.2 49.9 -68.4 -47.5 28.4 72.7 40.6 497 333 B A H X5S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -3,-0.2 0.919 112.7 44.6 -63.8 -49.2 27.7 71.0 37.4 498 334 B K H X5S+ 0 0 99 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.907 114.8 48.8 -62.0 -42.8 24.5 69.1 38.5 499 335 B K H <