==== 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 3BXE . 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) . 23527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 72.5 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 . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 33.3 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 1 0 4 3 5 0 3 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 75 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 155.7 -46.5 16.8 27.9 2 94 A L H > + 0 0 61 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.831 360.0 46.0 -59.1 -44.7 -43.7 15.3 25.8 3 95 A T H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 119.2 43.2 -61.9 -46.7 -41.7 13.6 28.6 4 96 A L H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.891 112.5 54.2 -63.7 -37.7 -44.9 12.2 30.1 5 97 A L H X S+ 0 0 8 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.903 109.5 47.0 -61.9 -42.0 -46.1 11.3 26.6 6 98 A E H X S+ 0 0 57 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 111.1 51.5 -66.3 -41.3 -42.9 9.3 26.0 7 99 A K H X S+ 0 0 114 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 112.5 45.9 -61.8 -44.7 -43.2 7.6 29.4 8 100 A T H X S+ 0 0 41 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.905 112.9 49.5 -67.5 -42.4 -46.8 6.6 28.6 9 101 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 6,-0.3 0.910 108.7 52.4 -61.5 -45.2 -46.0 5.4 25.1 10 102 A K H X>S+ 0 0 86 -4,-2.5 5,-2.0 1,-0.2 4,-0.6 0.920 115.6 42.2 -56.3 -45.2 -43.0 3.3 26.4 11 103 A E H ><5S+ 0 0 116 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.926 114.6 48.5 -68.2 -47.2 -45.4 1.6 28.9 12 104 A R H 3<5S+ 0 0 131 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.861 123.4 32.4 -63.6 -37.9 -48.4 1.2 26.5 13 105 A L H 3<5S- 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.323 103.7-123.1-102.8 4.2 -46.3 -0.4 23.8 14 106 A N T <<5 + 0 0 111 -3,-0.6 216,-0.5 -4,-0.6 217,-0.4 0.918 50.6 174.1 47.7 51.4 -43.6 -2.1 25.9 15 107 A L < - 0 0 10 -5,-2.0 218,-0.2 -6,-0.3 3,-0.2 -0.490 47.7-133.0 -83.7 151.5 -40.8 -0.2 24.2 16 108 A K S S- 0 0 60 216,-2.2 2,-0.3 1,-0.3 217,-0.2 0.871 94.5 -22.9 -60.3 -39.1 -37.2 -0.3 25.1 17 109 A D E -a 233 0A 80 215,-0.8 217,-2.4 -7,-0.1 2,-0.4 -0.951 60.8-135.3-165.1 155.7 -37.6 3.5 24.7 18 110 A A E -a 234 0A 7 -2,-0.3 2,-0.5 215,-0.2 217,-0.2 -0.976 13.1-172.1-116.0 133.4 -39.9 6.1 23.0 19 111 A I E -a 235 0A 41 215,-3.0 217,-2.9 -2,-0.4 2,-0.6 -0.971 10.9-171.4-124.2 112.5 -38.5 9.1 21.2 20 112 A I E -a 236 0A 7 -2,-0.5 217,-0.3 215,-0.2 2,-0.2 -0.925 5.2-161.6-113.0 117.5 -41.3 11.5 20.1 21 113 A V E -a 237 0A 20 215,-2.7 217,-1.5 -2,-0.6 14,-0.1 -0.568 33.7 -90.4 -88.7 160.4 -40.6 14.5 17.8 22 114 A S S S+ 0 0 77 -2,-0.2 -1,-0.1 215,-0.2 12,-0.1 -0.328 80.1 13.8 -73.3 146.7 -43.0 17.4 17.6 23 115 A G S S- 0 0 26 214,-0.1 216,-2.2 1,-0.1 215,-0.8 -0.172 86.0 -70.3 93.1-178.4 -45.9 17.7 15.1 24 116 A D >> - 0 0 29 214,-0.2 4,-3.1 215,-0.2 3,-2.1 -0.969 27.6-155.5-122.2 109.9 -47.8 15.3 12.8 25 117 A S T 34 S+ 0 0 15 -2,-0.5 7,-0.2 1,-0.3 6,-0.1 0.688 95.1 62.7 -59.7 -21.0 -45.8 14.1 9.7 26 118 A D T 34 S+ 0 0 70 1,-0.1 -1,-0.3 5,-0.1 -3,-0.0 0.681 117.7 28.1 -75.4 -18.9 -49.1 13.5 7.9 27 119 A Q T <4 S+ 0 0 147 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.737 128.4 39.8-105.3 -41.0 -49.8 17.3 8.1 28 120 A S S >< S- 0 0 31 -4,-3.1 3,-2.1 1,-0.1 4,-0.3 -0.919 70.9-164.1-115.1 98.2 -46.3 18.8 8.2 29 121 A P T > S+ 0 0 93 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.856 83.7 64.9 -57.1 -38.7 -44.2 16.8 5.7 30 122 A W T >> S+ 0 0 152 1,-0.3 4,-1.2 2,-0.2 3,-0.7 0.609 81.8 80.2 -61.4 -14.0 -40.9 18.0 7.1 31 123 A V H <> S+ 0 0 5 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.824 82.4 64.4 -62.8 -30.5 -41.6 16.2 10.4 32 124 A K H <> S+ 0 0 66 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.2 0.889 100.7 51.3 -55.4 -39.5 -40.5 13.0 8.6 33 125 A K H <> S+ 0 0 120 -3,-0.7 4,-2.7 -4,-0.4 -1,-0.2 0.858 107.3 52.3 -66.1 -37.5 -37.0 14.7 8.4 34 126 A E H X S+ 0 0 68 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.882 108.5 49.7 -68.0 -37.7 -37.1 15.4 12.2 35 127 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.931 111.2 51.7 -59.3 -44.5 -37.9 11.8 12.9 36 128 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.941 109.1 49.0 -54.3 -51.0 -34.9 11.0 10.6 37 129 A R H X S+ 0 0 132 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.897 112.9 46.5 -58.7 -47.3 -32.7 13.3 12.5 38 130 A A H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.871 111.1 52.8 -64.3 -37.4 -33.7 11.8 15.9 39 131 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.917 107.7 50.6 -65.7 -44.1 -33.3 8.3 14.6 40 132 A V H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 110.5 49.9 -56.7 -47.0 -29.7 9.0 13.4 41 133 A A H X S+ 0 0 52 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.899 111.3 49.7 -59.1 -41.6 -28.9 10.4 16.9 42 134 A C H X S+ 0 0 19 -4,-2.2 4,-1.1 2,-0.2 3,-0.4 0.925 108.2 52.6 -62.3 -48.6 -30.3 7.3 18.5 43 135 A M H >X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 3,-0.9 0.926 107.2 52.4 -51.4 -49.3 -28.3 5.0 16.2 44 136 A K H 3< S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 105.9 54.1 -62.2 -31.1 -25.1 6.8 17.1 45 137 A K H 3< S+ 0 0 175 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.764 112.6 45.1 -69.8 -24.8 -25.8 6.3 20.9 46 138 A R H << S+ 0 0 121 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.599 84.2 116.6 -97.5 -17.2 -26.2 2.6 20.3 47 139 A F < - 0 0 11 -4,-1.3 2,-0.1 -5,-0.1 4,-0.1 -0.277 47.4-157.6 -58.9 137.0 -23.2 1.9 18.1 48 140 A S - 0 0 76 2,-0.3 28,-0.1 28,-0.1 -1,-0.1 -0.320 46.6 -79.3 -92.7-175.6 -20.5 -0.4 19.5 49 141 A G S S+ 0 0 54 1,-0.1 27,-2.5 26,-0.1 2,-0.3 0.872 122.6 25.9 -53.9 -40.5 -16.9 -0.4 18.2 50 142 A K E S-b 76 0A 151 25,-0.2 2,-0.4 2,-0.0 -2,-0.3 -0.975 78.3-171.3-129.6 146.4 -18.0 -2.5 15.2 51 143 A N E -b 77 0A 9 25,-1.3 27,-1.9 -2,-0.3 2,-0.5 -0.997 24.0-165.7-145.5 136.5 -21.5 -2.6 13.7 52 144 A I E -b 78 0A 35 -2,-0.4 91,-2.4 25,-0.2 92,-1.9 -0.969 24.2-164.9-120.8 112.1 -23.6 -4.4 11.2 53 145 A V E -bc 79 144A 0 25,-3.3 27,-2.7 -2,-0.5 2,-0.4 -0.859 5.0-161.9-109.1 110.5 -26.7 -2.3 10.5 54 146 A A E -bc 80 145A 0 90,-2.9 92,-2.8 -2,-0.7 2,-0.3 -0.723 16.0-173.6 -90.5 137.0 -29.6 -3.9 8.7 55 147 A V E -bc 81 146A 0 25,-2.2 27,-2.4 -2,-0.4 28,-0.4 -0.955 16.6-144.7-132.3 150.5 -32.1 -1.5 7.2 56 148 A T - 0 0 13 90,-1.9 37,-0.1 -2,-0.3 2,-0.0 -0.509 24.0-117.5 -99.1 176.4 -35.5 -1.6 5.5 57 149 A G + 0 0 15 -2,-0.2 4,-0.4 35,-0.1 91,-0.3 0.008 55.6 105.0 -92.1-153.7 -36.8 0.6 2.7 58 150 A G S > S- 0 0 8 34,-1.0 4,-1.8 1,-0.1 5,-0.1 -0.058 81.0 -80.0 93.2 160.2 -39.7 3.0 2.6 59 151 A T H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.770 124.2 56.5 -71.8 -26.7 -39.8 6.8 2.8 60 152 A T H > S+ 0 0 7 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.930 110.2 43.3 -73.4 -42.0 -39.3 7.1 6.5 61 153 A I H > S+ 0 0 1 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.852 108.9 59.2 -71.8 -28.5 -36.1 5.1 6.5 62 154 A E H X S+ 0 0 46 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.905 103.4 53.0 -61.7 -38.6 -35.0 7.1 3.4 63 155 A A H X S+ 0 0 14 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.837 106.4 52.0 -60.9 -37.1 -35.4 10.2 5.7 64 156 A V H X S+ 0 0 0 -4,-1.3 4,-0.7 2,-0.2 3,-0.2 0.948 110.9 47.9 -60.7 -49.7 -33.1 8.5 8.2 65 157 A A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.909 109.6 53.0 -56.0 -45.3 -30.6 8.0 5.3 66 158 A E H 3< S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.850 113.1 42.9 -62.5 -34.2 -31.0 11.6 4.2 67 159 A M H 3< S+ 0 0 45 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.443 89.0 119.1 -92.3 -1.5 -30.2 12.9 7.8 68 160 A M << + 0 0 5 -3,-1.0 -31,-0.1 -4,-0.7 -3,-0.0 -0.361 37.7 176.5 -66.2 141.9 -27.3 10.5 8.3 69 161 A T - 0 0 71 36,-0.1 36,-0.1 -2,-0.1 35,-0.1 -0.939 39.8 -74.4-137.7 161.1 -23.9 12.0 8.9 70 162 A P - 0 0 69 0, 0.0 2,-0.6 0, 0.0 36,-0.1 -0.162 53.7-101.5 -54.1 149.1 -20.5 10.5 9.7 71 163 A D > - 0 0 16 34,-0.6 3,-1.8 4,-0.2 34,-0.0 -0.651 20.8-150.3 -74.9 117.5 -19.9 9.1 13.2 72 164 A S T 3 S+ 0 0 117 -2,-0.6 -1,-0.2 1,-0.3 -28,-0.0 0.791 100.7 53.5 -57.1 -28.7 -17.8 11.6 15.3 73 165 A K T 3 S- 0 0 152 -29,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.510 105.4-133.9 -85.6 -5.6 -16.5 8.6 17.2 74 166 A N < + 0 0 145 -3,-1.8 -2,-0.1 1,-0.1 2,-0.1 0.846 38.2 173.6 56.8 42.1 -15.4 6.9 13.9 75 167 A R - 0 0 41 1,-0.1 2,-0.4 -25,-0.0 -25,-0.2 -0.405 42.2 -92.2 -75.6 155.1 -16.9 3.4 14.8 76 168 A E E -b 50 0A 116 -27,-2.5 -25,-1.3 -2,-0.1 2,-0.5 -0.582 47.8-170.3 -73.3 127.3 -16.8 0.7 12.2 77 169 A L E +b 51 0A 12 -2,-0.4 31,-2.4 -27,-0.2 2,-0.5 -0.968 16.8 174.1-128.8 121.5 -20.1 0.6 10.1 78 170 A L E -bd 52 108A 18 -27,-1.9 -25,-3.3 -2,-0.5 2,-0.4 -0.996 17.2-158.5-122.7 125.1 -21.3 -1.9 7.6 79 171 A F E +bd 53 109A 0 29,-2.5 31,-1.8 -2,-0.5 -25,-0.2 -0.864 14.7 171.3-107.2 139.5 -24.8 -1.5 6.3 80 172 A V E -b 54 0A 0 -27,-2.7 -25,-2.2 -2,-0.4 2,-0.2 -0.974 37.8-106.8-138.0 152.0 -27.0 -4.2 4.7 81 173 A P E -b 55 0A 0 0, 0.0 -25,-0.2 0, 0.0 117,-0.1 -0.560 26.2-137.8 -70.4 146.2 -30.6 -4.5 3.6 82 174 A A S S- 0 0 1 -27,-2.4 116,-2.9 -2,-0.2 2,-0.2 0.888 78.0 -9.1 -69.4 -40.3 -32.6 -6.6 6.1 83 175 A R B S-G 197 0B 5 -28,-0.4 29,-0.2 1,-0.3 114,-0.2 -0.692 90.0 -66.6-141.5-172.6 -34.5 -8.5 3.3 84 176 A G - 0 0 16 112,-0.7 10,-0.4 -2,-0.2 -1,-0.3 0.177 67.4 -74.1 -69.9-162.5 -35.1 -8.4 -0.5 85 177 A G > - 0 0 31 29,-0.3 3,-2.0 8,-0.1 9,-0.1 0.685 49.2-151.5 -75.2 -21.8 -36.9 -5.7 -2.5 86 178 A L T 3 - 0 0 29 1,-0.3 74,-0.1 108,-0.1 -1,-0.1 0.610 63.4 -65.7 62.0 16.6 -40.4 -6.8 -1.3 87 179 A G T 3 S+ 0 0 46 1,-0.3 73,-0.7 72,-0.1 -1,-0.3 0.575 95.8 144.1 82.3 11.0 -42.0 -5.5 -4.5 88 180 A E < - 0 0 12 -3,-2.0 -1,-0.3 71,-0.2 71,-0.1 -0.421 55.9-104.0 -74.0 153.5 -41.2 -1.9 -3.8 89 181 A D >> - 0 0 114 69,-0.2 3,-1.8 -2,-0.1 4,-0.7 -0.348 46.0 -93.9 -68.1 162.1 -40.2 0.6 -6.5 90 182 A V G >4 S+ 0 0 61 1,-0.3 3,-1.4 2,-0.2 6,-0.3 0.871 124.4 55.4 -50.9 -45.9 -36.5 1.5 -6.7 91 183 A K G 34 S+ 0 0 151 1,-0.3 -1,-0.3 5,-0.1 -33,-0.0 0.741 114.3 41.2 -63.7 -22.2 -36.7 4.6 -4.5 92 184 A N G <4 S+ 0 0 11 -3,-1.8 -34,-1.0 -35,-0.1 -1,-0.3 0.370 88.0 116.9-104.1 1.8 -38.4 2.5 -1.7 93 185 A Q S XX S- 0 0 52 -3,-1.4 4,-2.0 -4,-0.7 3,-0.7 -0.497 70.0-128.4 -73.6 139.2 -36.2 -0.6 -2.0 94 186 A A H 3> S+ 0 0 8 -10,-0.4 4,-2.8 1,-0.2 5,-0.2 0.860 109.3 59.1 -50.2 -40.1 -34.0 -1.6 1.0 95 187 A N H 3> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 106.7 46.9 -57.0 -41.6 -31.0 -1.8 -1.3 96 188 A T H <> S+ 0 0 27 -3,-0.7 4,-2.2 -6,-0.3 -2,-0.2 0.926 114.7 44.6 -67.7 -47.6 -31.4 1.8 -2.3 97 189 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.900 111.6 55.6 -63.1 -41.1 -31.8 3.1 1.3 98 190 A C H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.945 110.4 43.2 -57.9 -54.7 -28.9 0.9 2.4 99 191 A A H X S+ 0 0 12 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.901 114.7 50.8 -57.8 -44.0 -26.5 2.4 -0.2 100 192 A H H X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.923 111.8 46.6 -62.3 -43.9 -27.7 5.9 0.6 101 193 A M H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.914 111.9 50.2 -65.2 -44.3 -27.3 5.5 4.3 102 194 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 4,-0.5 0.890 110.6 49.8 -64.3 -41.6 -23.8 4.0 4.0 103 195 A E H ><5S+ 0 0 89 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.926 112.5 47.1 -59.6 -46.4 -22.6 6.8 1.7 104 196 A K H 3<5S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.799 115.5 46.0 -66.9 -30.6 -24.0 9.5 4.1 105 197 A A T 3<5S- 0 0 4 -4,-1.9 -34,-0.6 -5,-0.2 -1,-0.2 0.450 107.9-123.6 -86.6 -5.8 -22.3 7.7 7.1 106 198 A S T < 5S+ 0 0 96 -3,-1.0 -3,-0.2 -4,-0.5 -29,-0.2 0.856 71.6 128.4 55.9 37.0 -19.0 7.2 5.3 107 199 A G < - 0 0 25 -5,-2.8 2,-0.2 -6,-0.2 -29,-0.2 -0.325 60.8-102.1-103.3-169.3 -19.5 3.5 6.0 108 200 A T E -d 78 0A 87 -31,-2.4 -29,-2.5 -2,-0.1 2,-0.3 -0.705 34.9-167.9-108.8 165.0 -19.3 0.4 3.8 109 201 A Y E -d 79 0A 22 -2,-0.2 2,-0.3 -31,-0.2 237,-0.3 -0.986 15.9-156.5-149.2 162.4 -22.3 -1.6 2.5 110 202 A R - 0 0 105 -31,-1.8 2,-0.3 -2,-0.3 235,-0.0 -0.966 18.5-148.5-133.6 150.0 -23.3 -4.9 0.8 111 203 A L - 0 0 23 -2,-0.3 2,-0.7 -31,-0.1 24,-0.1 -0.849 16.1-123.4-120.3 157.7 -26.5 -5.5 -1.2 112 204 A L - 0 0 4 -2,-0.3 2,-1.0 -29,-0.2 -17,-0.1 -0.902 24.7-166.7 -97.2 112.8 -28.8 -8.4 -1.9 113 205 A F + 0 0 56 -2,-0.7 19,-0.1 13,-0.1 -29,-0.0 -0.756 31.2 141.3-106.6 84.4 -28.9 -8.9 -5.7 114 206 A V - 0 0 38 -2,-1.0 -29,-0.3 82,-0.0 82,-0.1 -0.849 36.4-155.4-127.5 90.9 -31.8 -11.2 -6.2 115 207 A P - 0 0 33 0, 0.0 3,-0.4 0, 0.0 2,-0.3 -0.108 12.5-106.8 -63.3 157.7 -33.7 -10.2 -9.3 116 208 A G S S+ 0 0 44 1,-0.2 3,-0.1 271,-0.0 0, 0.0 -0.676 84.3 26.3-103.9 174.0 -37.3 -10.8 -10.3 117 209 A Q S S+ 0 0 195 -2,-0.3 -1,-0.2 1,-0.2 270,-0.1 -0.236 77.9 151.4-103.3 73.0 -39.1 -12.3 -12.0 118 210 A L - 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