==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 17-JUL-00 1FC3 . COMPND 2 MOLECULE: SPO0A; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR R.J.LEWIS,S.KRZYWDA,A.J.WILKINSON . 336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.7 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 0 0 2 1 0 0 0 1 2 4 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 140 A N >> 0 0 175 0, 0.0 4,-2.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -16.6 -11.7 43.7 14.4 2 141 A K H 3> + 0 0 154 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.632 360.0 58.5 -40.9 -40.1 -8.5 42.9 12.5 3 142 A P H 3> S+ 0 0 98 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.901 112.7 37.6 -67.0 -42.3 -7.9 39.3 13.7 4 143 A K H <> S+ 0 0 153 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.904 115.3 55.6 -78.5 -37.0 -11.1 37.8 12.5 5 144 A N H X S+ 0 0 101 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.883 106.3 52.6 -56.8 -39.2 -10.9 40.0 9.4 6 145 A L H X S+ 0 0 18 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.919 110.2 45.8 -61.5 -48.5 -7.5 38.5 8.7 7 146 A D H X S+ 0 0 34 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.912 112.1 52.5 -63.7 -40.1 -8.8 35.0 8.9 8 147 A A H X S+ 0 0 53 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.918 111.6 46.6 -58.6 -41.9 -11.8 36.0 6.7 9 148 A S H X S+ 0 0 48 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.940 113.2 48.3 -66.8 -52.5 -9.4 37.4 4.1 10 149 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.938 113.1 47.4 -51.5 -52.3 -7.1 34.3 4.2 11 150 A T H X S+ 0 0 28 -4,-2.8 4,-1.9 -5,-0.2 5,-0.2 0.909 110.2 52.7 -58.8 -40.4 -10.0 31.9 3.9 12 151 A S H X S+ 0 0 72 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.923 112.1 46.2 -62.5 -42.0 -11.5 33.9 1.0 13 152 A I H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.932 113.3 45.0 -70.4 -43.6 -8.2 33.8 -1.0 14 153 A I H X>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 4,-1.1 0.878 113.7 51.9 -70.4 -29.9 -7.3 30.1 -0.5 15 154 A H H <5S+ 0 0 114 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.839 109.5 49.5 -67.6 -36.4 -10.9 29.2 -1.4 16 155 A E H <5S+ 0 0 86 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.884 106.2 55.0 -72.7 -39.6 -10.7 31.3 -4.5 17 156 A I H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.808 128.6-103.4 -59.5 -29.8 -7.4 29.6 -5.4 18 157 A G T <5 + 0 0 21 -4,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.634 69.7 146.9 114.4 20.8 -9.5 26.4 -5.1 19 158 A V < - 0 0 0 -5,-2.8 -1,-0.3 57,-0.1 2,-0.1 -0.785 47.1-132.3 -83.1 123.3 -8.5 24.8 -1.8 20 159 A P > - 0 0 40 0, 0.0 3,-0.9 0, 0.0 6,-0.2 -0.424 7.9-124.8 -79.6 158.4 -11.8 23.2 -0.7 21 160 A A T 3 S+ 0 0 60 1,-0.2 6,-0.1 -2,-0.1 -2,-0.0 0.642 96.5 62.6 -87.7 -7.9 -13.0 23.7 2.8 22 161 A H T 3 S+ 0 0 158 4,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.474 82.8 94.0 -92.9 1.9 -13.4 20.2 4.1 23 162 A I S X> S- 0 0 13 -3,-0.9 3,-1.7 1,-0.1 4,-0.9 -0.667 79.2-122.3 -96.6 151.4 -9.8 19.1 3.9 24 163 A K H 3> S+ 0 0 74 1,-0.3 4,-2.3 -2,-0.3 3,-0.3 0.829 108.7 62.6 -57.5 -36.0 -7.3 19.3 6.7 25 164 A G H 3> S+ 0 0 0 43,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.698 93.3 64.5 -64.1 -20.2 -4.9 21.5 4.7 26 165 A Y H <> S+ 0 0 24 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.952 108.3 39.5 -67.1 -49.3 -7.5 24.2 4.6 27 166 A L H X S+ 0 0 62 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.908 115.1 51.7 -61.8 -47.2 -7.3 24.6 8.3 28 167 A Y H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.864 109.1 50.7 -65.0 -33.1 -3.6 24.2 8.5 29 168 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.4 0.861 106.2 56.1 -66.3 -38.0 -3.1 26.9 5.7 30 169 A R H X S+ 0 0 67 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.925 114.1 40.0 -59.2 -43.5 -5.3 29.3 7.7 31 170 A E H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 118.3 46.2 -70.2 -48.5 -3.1 28.9 10.6 32 171 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.927 114.3 46.3 -61.2 -51.8 0.2 28.9 8.6 33 172 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.902 112.7 50.3 -60.7 -42.3 -0.6 31.9 6.5 34 173 A A H X S+ 0 0 25 -4,-1.6 4,-1.8 -5,-0.4 5,-0.2 0.922 111.2 49.1 -61.1 -43.0 -1.9 33.9 9.6 35 174 A M H X S+ 0 0 26 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.961 114.1 44.5 -62.9 -46.3 1.3 33.1 11.5 36 175 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 106.6 62.0 -68.8 -33.0 3.6 34.2 8.6 37 176 A Y H < S+ 0 0 53 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.931 112.7 35.4 -55.9 -49.5 1.5 37.3 7.9 38 177 A H H < S+ 0 0 85 -4,-1.8 2,-0.4 1,-0.2 -2,-0.2 0.902 135.1 25.7 -74.0 -35.5 2.3 38.6 11.3 39 178 A D >< + 0 0 7 -4,-2.3 3,-2.1 -5,-0.2 -1,-0.2 -0.719 62.5 178.6-134.7 81.5 5.8 37.2 11.4 40 179 A I G > S+ 0 0 97 -2,-0.4 3,-1.7 -3,-0.4 4,-0.3 0.763 74.9 73.5 -57.8 -28.1 7.3 36.8 8.0 41 180 A E G > S+ 0 0 37 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.759 79.3 79.1 -55.7 -22.5 10.7 35.5 9.4 42 181 A L G X S+ 0 0 3 -3,-2.1 3,-2.0 1,-0.3 8,-0.3 0.711 71.8 77.0 -65.7 -20.2 8.9 32.2 10.3 43 182 A L G X S+ 0 0 38 -3,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.920 87.6 64.2 -51.4 -38.4 9.1 31.0 6.7 44 183 A G G < S+ 0 0 63 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.520 111.8 29.1 -67.2 -11.9 12.7 30.2 7.5 45 184 A S G X> S+ 0 0 7 -3,-2.0 4,-1.7 -4,-0.2 3,-1.1 0.057 78.2 134.5-134.5 33.2 12.1 27.6 10.1 46 185 A I T <4>S+ 0 0 14 -3,-1.6 5,-2.8 1,-0.3 -2,-0.1 0.807 71.1 47.1 -54.9 -39.4 8.8 26.2 8.9 47 186 A T T 345S+ 0 0 76 -4,-0.2 -1,-0.3 1,-0.2 19,-0.1 0.798 121.5 35.9 -75.0 -24.3 9.6 22.5 9.2 48 187 A K T <45S+ 0 0 120 -3,-1.1 -2,-0.2 3,-0.1 -1,-0.2 0.503 134.3 12.6-106.6 -10.5 11.1 22.8 12.7 49 188 A V T X5S+ 0 0 0 -4,-1.7 4,-2.0 -7,-0.2 -3,-0.2 0.547 124.7 42.0-131.0 -65.6 8.9 25.5 14.3 50 189 A L H >5S+ 0 0 0 -5,-0.5 4,-2.0 -8,-0.3 5,-0.2 0.936 116.4 45.9 -60.9 -52.3 5.7 26.4 12.5 51 190 A Y H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.892 109.5 54.0 -56.4 -36.1 5.2 21.3 14.9 53 192 A D H X S+ 0 0 32 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.927 110.8 43.9 -66.0 -38.9 3.2 24.2 16.4 54 193 A I H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.914 113.5 52.5 -69.9 -39.8 0.2 23.6 14.2 55 194 A A H X>S+ 0 0 3 -4,-2.7 5,-2.4 -5,-0.2 4,-0.6 0.913 107.0 51.9 -61.3 -43.6 0.5 19.8 14.8 56 195 A K H ><5S+ 0 0 180 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.931 110.7 48.5 -59.6 -43.7 0.5 20.3 18.5 57 196 A K H 3<5S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.856 118.6 38.9 -67.9 -30.0 -2.7 22.4 18.3 58 197 A Y H 3<5S- 0 0 64 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.267 110.8-113.5-107.7 13.5 -4.5 19.9 16.1 59 198 A N T <<5S+ 0 0 149 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.906 81.6 93.6 60.3 50.5 -3.3 16.7 17.7 60 199 A T S - 0 0 68 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.820 27.7-117.9-119.7 159.5 2.4 15.6 13.6 62 201 A A H > S+ 0 0 29 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.888 117.0 52.7 -57.2 -39.7 4.5 18.1 11.8 63 202 A S H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 108.6 48.2 -65.5 -38.7 4.9 15.6 8.9 64 203 A R H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 111.3 50.8 -71.2 -32.1 1.2 15.1 8.6 65 204 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.964 111.5 48.0 -66.5 -50.8 0.6 19.0 8.6 66 205 A E H X S+ 0 0 47 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.928 114.4 46.3 -51.3 -49.1 3.2 19.5 5.9 67 206 A R H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.866 110.1 51.9 -66.9 -39.9 1.7 16.7 3.8 68 207 A A H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -43,-0.3 0.863 111.5 48.6 -62.8 -39.2 -1.9 17.9 4.2 69 208 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.946 111.4 47.8 -68.6 -45.9 -0.8 21.4 3.1 70 209 A R H X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.905 112.0 52.7 -60.1 -38.9 1.1 20.0 0.1 71 210 A H H X S+ 0 0 6 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.944 108.1 49.3 -60.2 -46.9 -2.1 17.9 -0.6 72 211 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 112.8 47.8 -57.7 -42.9 -4.3 21.0 -0.5 73 212 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.926 110.2 51.7 -65.2 -44.2 -2.0 22.9 -2.9 74 213 A E H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 5,-0.3 0.919 110.4 49.3 -61.3 -42.1 -1.9 20.0 -5.3 75 214 A V H X S+ 0 0 20 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.931 112.1 47.2 -62.2 -45.8 -5.7 19.8 -5.4 76 215 A A H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.940 115.9 45.5 -64.3 -44.6 -6.0 23.6 -6.0 77 216 A W H < S+ 0 0 36 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.998 112.3 43.5 -61.7 -69.7 -3.4 23.6 -8.8 78 217 A S H < S+ 0 0 67 -4,-1.7 2,-1.6 1,-0.2 -1,-0.2 0.737 98.0 79.4 -52.4 -27.1 -4.2 20.6 -10.9 79 218 A R S < S- 0 0 130 -4,-1.2 -1,-0.2 -5,-0.3 -4,-0.0 -0.380 101.4-112.3 -82.5 53.9 -8.0 21.4 -10.8 80 219 A G S S+ 0 0 44 -2,-1.6 -1,-0.1 1,-0.2 4,-0.0 -0.309 77.2 125.7 58.1-121.7 -8.2 24.2 -13.5 81 220 A N > + 0 0 68 1,-0.2 3,-0.6 -3,-0.1 4,-0.4 0.686 33.9 131.9 45.6 18.3 -9.1 27.2 -11.5 82 221 A L T 3 + 0 0 88 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.291 63.7 57.2 -81.9 5.9 -6.0 28.6 -13.3 83 222 A E T 3> S+ 0 0 139 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.429 104.7 50.2-111.3 -10.7 -7.9 31.8 -14.3 84 223 A S T <4 S+ 0 0 23 -3,-0.6 -2,-0.2 2,-0.2 -66,-0.1 0.507 110.2 52.4 -92.6 -13.0 -8.7 32.6 -10.7 85 224 A I T >> S+ 0 0 3 -4,-0.4 4,-3.0 2,-0.2 3,-1.4 0.879 107.0 51.5 -86.1 -39.2 -5.1 32.1 -9.9 86 225 A S H 3> S+ 0 0 43 -4,-0.5 4,-2.2 1,-0.3 -2,-0.2 0.870 105.0 54.9 -62.0 -41.8 -4.0 34.5 -12.6 87 226 A S H 3< S+ 0 0 85 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.487 116.4 40.6 -75.9 -0.8 -6.4 37.2 -11.4 88 227 A L H <4 S+ 0 0 27 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.2 0.723 134.2 11.4-104.2 -46.5 -4.6 36.8 -7.9 89 228 A F H < S- 0 0 34 -4,-3.0 4,-0.5 1,-0.2 -3,-0.2 0.342 106.0-102.5-122.9 6.0 -1.0 36.4 -8.7 90 229 A G X - 0 0 31 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.023 40.0 -71.8 92.0 160.3 -0.5 37.2 -12.4 91 230 A Y H > S+ 0 0 164 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.862 124.0 52.7 -58.8 -46.4 0.0 35.3 -15.5 92 231 A T H 4 S+ 0 0 119 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.921 112.6 45.0 -61.2 -47.8 3.6 34.0 -14.9 93 232 A V H >4 S+ 0 0 49 -4,-0.5 3,-1.9 1,-0.2 -1,-0.2 0.970 112.1 56.7 -56.9 -49.2 2.7 32.6 -11.6 94 233 A S H 3< S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.842 111.1 39.4 -50.1 -46.0 -0.4 31.2 -13.2 95 234 A V T 3< S+ 0 0 83 -4,-2.4 2,-0.6 -5,-0.1 -1,-0.3 -0.082 77.6 144.2-103.5 37.1 1.4 29.3 -15.9 96 235 A S < - 0 0 52 -3,-1.9 -3,-0.1 1,-0.2 -4,-0.0 -0.658 47.9-145.2 -77.4 118.7 4.3 28.1 -13.7 97 236 A K S S+ 0 0 215 -2,-0.6 2,-0.6 1,-0.1 -1,-0.2 0.840 88.8 60.9 -53.1 -30.6 5.1 24.6 -15.0 98 237 A A S S- 0 0 50 -3,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.878 87.1-131.0-106.9 119.5 5.8 23.9 -11.4 99 238 A K - 0 0 63 -2,-0.6 -25,-0.1 1,-0.1 -2,-0.0 -0.270 43.5 -90.2 -55.8 145.3 3.2 24.2 -8.6 100 239 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.323 35.8-118.5 -64.4 143.2 4.4 26.2 -5.6 101 240 A T > - 0 0 75 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.292 38.7 -98.0 -66.7 168.8 6.2 24.5 -2.7 102 241 A N H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 125.6 46.5 -57.3 -49.0 4.4 24.9 0.6 103 242 A S H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 111.2 51.4 -69.4 -33.8 6.6 27.7 1.7 104 243 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 112.7 46.7 -62.5 -43.7 6.2 29.5 -1.7 105 244 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.933 113.3 47.1 -65.5 -48.9 2.4 29.3 -1.5 106 245 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.918 113.2 49.8 -59.8 -42.6 2.2 30.4 2.0 107 246 A A H X S+ 0 0 32 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.902 110.0 51.7 -63.6 -38.7 4.6 33.3 1.3 108 247 A M H X S+ 0 0 43 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.907 112.0 42.9 -68.1 -46.2 2.6 34.4 -1.7 109 248 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.950 115.3 50.7 -68.8 -37.1 -0.8 34.5 -0.0 110 249 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.926 111.7 47.8 -57.3 -48.9 0.8 36.3 3.0 111 250 A D H X S+ 0 0 77 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.910 109.2 53.2 -59.1 -44.7 2.4 38.8 0.7 112 251 A K H X S+ 0 0 63 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.857 111.9 45.4 -62.4 -36.2 -0.8 39.5 -1.2 113 252 A L H < S+ 0 0 14 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.910 115.1 47.9 -72.5 -39.3 -2.7 40.2 2.1 114 253 A R H < S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.6 47.2 -68.6 -37.4 0.1 42.3 3.4 115 254 A L H < S+ 0 0 127 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.585 98.1 93.9 -81.8 -7.1 0.4 44.3 0.1 116 255 A E S < S- 0 0 98 -4,-0.5 2,-0.3 -3,-0.5 -3,-0.0 -0.436 85.9 -91.2 -90.5 158.8 -3.3 44.9 -0.1 117 256 A H + 0 0 178 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.514 57.2 146.6 -70.6 131.2 -5.4 47.8 1.1 118 257 A K 0 0 120 -2,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.942 360.0 360.0-154.5 170.8 -6.9 47.6 4.6 119 258 A A 0 0 123 -2,-0.3 -2,-0.0 -117,-0.0 -117,-0.0 0.351 360.0 360.0 40.3 360.0 -7.9 49.5 7.8 120 !* 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 0.0 121 141 B K > 0 0 187 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-138.6 25.5 49.3 33.2 122 142 B P H > + 0 0 100 0, 0.0 4,-3.8 0, 0.0 5,-0.2 0.807 360.0 54.1 -37.3 -39.7 22.4 48.1 31.2 123 143 B K H > S+ 0 0 175 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.964 112.3 41.5 -62.4 -55.8 24.3 49.6 28.2 124 144 B N H > S+ 0 0 107 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.894 118.3 48.3 -56.0 -46.9 27.4 47.5 29.0 125 145 B L H X S+ 0 0 22 -4,-3.9 4,-2.3 2,-0.2 -2,-0.2 0.927 113.3 45.0 -65.2 -42.3 25.1 44.5 29.8 126 146 B D H X S+ 0 0 50 -4,-3.8 4,-3.2 -5,-0.3 5,-0.3 0.954 111.7 54.8 -67.9 -39.3 23.1 44.8 26.7 127 147 B A H X S+ 0 0 52 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.887 111.3 43.7 -55.5 -49.2 26.3 45.3 24.7 128 148 B S H X S+ 0 0 47 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.866 113.9 50.4 -68.3 -37.5 27.8 42.1 26.0 129 149 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 5,-0.3 0.942 111.4 48.5 -63.5 -43.0 24.6 40.2 25.5 130 150 B T H X S+ 0 0 29 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.895 108.4 54.8 -66.0 -36.0 24.3 41.4 22.0 131 151 B S H X S+ 0 0 74 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.895 109.0 47.1 -65.3 -37.8 27.9 40.5 21.3 132 152 B I H X S+ 0 0 28 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.955 113.6 44.9 -71.7 -48.2 27.4 36.9 22.4 133 153 B I H X>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-1.2 0.881 113.1 52.7 -64.6 -32.1 24.2 36.1 20.5 134 154 B H H <5S+ 0 0 113 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.932 111.3 45.5 -63.3 -47.2 25.6 37.8 17.4 135 155 B E H <5S+ 0 0 163 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.825 107.2 58.6 -66.8 -37.9 28.7 35.6 17.6 136 156 B I H <5S- 0 0 64 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.769 122.6-107.6 -60.0 -29.3 26.6 32.5 18.2 137 157 B G T <5 + 0 0 32 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.608 65.1 151.3 109.4 14.7 24.9 33.3 14.9 138 158 B V < - 0 0 2 -5,-2.4 -1,-0.3 57,-0.1 54,-0.1 -0.731 58.3-108.8 -72.9 124.6 21.4 34.6 15.8 139 159 B P > - 0 0 19 0, 0.0 3,-1.0 0, 0.0 6,-0.2 -0.278 20.4-137.8 -56.5 130.4 20.7 36.9 12.9 140 160 B A T 3 S+ 0 0 55 1,-0.2 -6,-0.0 -6,-0.1 -2,-0.0 0.721 94.6 57.4 -67.1 -20.7 20.8 40.5 14.1 141 161 B H T 3 S+ 0 0 168 4,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.613 84.6 96.7 -89.3 -7.5 17.7 41.7 12.1 142 162 B I S X> S- 0 0 10 -3,-1.0 4,-1.1 1,-0.1 3,-1.1 -0.381 78.0-119.3 -89.4 164.1 15.0 39.3 13.5 143 163 B K H 3> S+ 0 0 74 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.877 111.0 60.3 -65.7 -35.8 12.5 39.8 16.3 144 164 B G H 3> S+ 0 0 0 43,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.722 96.4 61.0 -68.3 -21.7 13.9 37.0 18.3 145 165 B Y H <> S+ 0 0 18 -3,-1.1 4,-1.7 -6,-0.2 -1,-0.3 0.905 109.3 41.9 -70.2 -39.6 17.3 38.7 18.5 146 166 B L H X S+ 0 0 54 -4,-1.1 4,-1.9 -3,-0.5 -2,-0.2 0.925 114.5 50.3 -69.3 -44.0 15.7 41.7 20.3 147 167 B Y H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.822 108.6 53.2 -67.7 -32.0 13.5 39.5 22.5 148 168 B L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.904 104.5 55.8 -64.6 -40.3 16.6 37.5 23.4 149 169 B R H X S+ 0 0 72 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.911 114.1 40.7 -57.8 -41.5 18.4 40.7 24.4 150 170 B E H X S+ 0 0 41 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 115.7 48.0 -72.4 -44.4 15.5 41.5 26.8 151 171 B A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.877 112.6 48.7 -65.9 -43.4 15.0 38.0 28.1 152 172 B I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.856 109.0 52.1 -66.9 -38.0 18.6 37.4 28.8 153 173 B A H X S+ 0 0 24 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.2 0.923 111.5 47.9 -64.6 -43.6 19.1 40.7 30.6 154 174 B M H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 114.6 44.6 -64.9 -42.6 16.2 39.9 32.9 155 175 B V H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.903 105.9 61.7 -69.7 -37.3 17.4 36.3 33.7 156 176 B Y H < S+ 0 0 65 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.916 112.5 37.2 -52.1 -44.7 20.9 37.6 34.2 157 177 B H H < S+ 0 0 120 -4,-1.5 2,-0.4 1,-0.3 -1,-0.2 0.920 136.2 19.7 -76.1 -38.8 19.7 39.7 37.1 158 178 B D >< - 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0 0 64 -2,-0.2 4,-2.2 -3,-0.1 5,-0.2 -0.877 25.8-119.7-118.3 158.6 1.8 38.6 22.2 181 201 B A H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.865 114.9 51.8 -60.8 -38.6 3.6 36.2 24.6 182 202 B S H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 109.6 49.8 -66.9 -37.6 3.2 33.3 22.2 183 203 B R H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.887 110.3 51.0 -66.8 -37.3 4.7 35.3 19.3 184 204 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.974 112.9 45.6 -61.7 -51.2 7.6 36.3 21.6 185 205 B E H X S+ 0 0 49 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.875 115.1 47.4 -57.6 -41.5 8.2 32.6 22.5 186 206 B R H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.873 109.8 51.0 -73.2 -40.0 7.9 31.6 18.9 187 207 B A H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -43,-0.3 0.878 112.4 48.3 -61.2 -42.4 10.3 34.3 17.5 188 208 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 111.4 48.9 -66.2 -42.4 12.9 33.3 20.1 189 209 B R H X S+ 0 0 44 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.894 111.9 50.9 -64.4 -36.1 12.5 29.6 19.2 190 210 B H H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.941 109.0 49.6 -63.3 -45.5 12.9 30.6 15.6 191 211 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.879 113.2 47.4 -60.8 -42.6 16.1 32.6 16.2 192 212 B I H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.890 110.0 51.9 -67.3 -42.2 17.6 29.7 18.1 193 213 B E H X S+ 0 0 20 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.936 109.9 49.7 -61.2 -43.7 16.6 27.3 15.4 194 214 B V H X S+ 0 0 14 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.916 113.2 46.0 -60.5 -47.1 18.3 29.5 12.8 195 215 B A H X S+ 0 0 12 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.902 116.2 46.9 -61.6 -40.6 21.5 29.7 14.9 196 216 B W H >< S+ 0 0 121 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.910 109.1 50.7 -68.6 -46.7 21.5 26.0 15.6 197 217 B S H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.776 108.6 55.5 -66.6 -24.3 20.8 24.8 12.1 198 218 B R H 3< S+ 0 0 188 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.566 112.0 8.7 -90.9 -10.3 23.7 26.9 10.7 199 219 B G << - 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0 0 20 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.119 53.2-102.9 -51.7 153.7 -8.7 -3.4 -7.8 324 240 C T > - 0 0 75 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.220 34.6-101.2 -67.7 174.7 -6.7 -0.3 -8.8 325 241 C N H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 126.9 46.1 -60.0 -44.5 -3.8 0.7 -6.4 326 242 C S H > S+ 0 0 48 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.939 111.8 49.9 -67.5 -47.6 -6.0 3.4 -5.0 327 243 C E H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 113.2 47.9 -52.5 -47.6 -9.0 1.1 -4.7 328 244 C F H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.924 114.2 45.4 -58.7 -50.1 -6.8 -1.5 -2.8 329 245 C I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.930 112.9 50.4 -65.1 -45.1 -5.3 1.0 -0.5 330 246 C A H X S+ 0 0 21 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.872 109.3 53.9 -58.9 -36.8 -8.7 2.6 0.2 331 247 C M H X S+ 0 0 50 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.952 110.9 41.3 -68.8 -51.6 -10.1 -0.9 1.0 332 248 C V H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.968 116.0 50.4 -63.0 -41.9 -7.7 -1.9 3.6 333 249 C A H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 3,-0.3 0.919 112.1 49.6 -57.1 -45.2 -7.6 1.5 5.2 334 250 C D H X S+ 0 0 70 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.921 106.5 54.2 -57.8 -49.6 -11.4 1.4 5.3 335 251 C K H X S+ 0 0 45 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.808 110.1 49.8 -53.9 -31.8 -11.5 -2.0 6.9 336 252 C L H < S+ 0 0 26 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.879 104.5 50.5 -81.4 -40.6 -9.2 -0.8 9.7 337 253 C R H < S+ 0 0 85 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.766 113.7 49.5 -74.9 -21.5 -10.8 2.4 10.9 338 254 C L H < 0 0 130 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.959 360.0 360.0 -73.4 -86.0 -14.1 0.6 11.2 339 255 C E < 0 0 155 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.237 360.0 360.0 -73.4 360.0 -13.4 -2.6 13.1