==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 16-JUN-06 2HCD . COMPND 2 MOLECULE: VITAMIN D RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR F.CIESIELSKI,N.ROCHEL,D.MORAS . 249 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 76.3 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 2 0 0 0 0 1 1 0 0 0 1 0 0 0 3 0 0 0 0 0 0 0 1 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 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 154 A H 0 0 205 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.8 15.4 50.8 69.1 2 155 A M - 0 0 160 0, 0.0 180,-0.1 0, 0.0 179,-0.0 -0.913 360.0-108.3-162.9 132.1 15.6 52.9 66.0 3 156 A L - 0 0 28 -2,-0.3 2,-0.2 178,-0.1 175,-0.0 -0.262 32.9-135.2 -63.0 148.3 16.7 52.2 62.4 4 157 A S > - 0 0 57 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.504 26.2 -98.7 -98.2 169.8 19.9 53.7 61.1 5 158 A D H > S+ 0 0 113 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.938 118.2 53.5 -55.6 -57.4 20.6 55.4 57.8 6 159 A E H > S+ 0 0 103 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.872 114.9 44.8 -48.3 -39.7 22.1 52.6 55.9 7 160 A Q H >> S+ 0 0 37 2,-0.2 4,-2.2 -3,-0.2 3,-1.2 0.973 113.5 47.5 -67.6 -55.9 19.1 50.5 56.8 8 161 A M H 3X S+ 0 0 74 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.861 112.2 51.3 -52.6 -39.4 16.6 53.3 56.0 9 162 A Q H 3X S+ 0 0 94 -4,-3.8 4,-1.3 -5,-0.2 -1,-0.3 0.726 106.5 55.4 -71.5 -22.3 18.4 53.8 52.7 10 163 A I H < S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.874 113.0 51.5 -56.4 -36.8 9.4 47.5 43.4 19 172 A H H >< S+ 0 0 97 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.896 107.4 50.3 -68.1 -42.1 7.5 50.6 42.4 20 173 A K H 3< S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.606 121.1 37.1 -72.4 -8.4 9.5 51.1 39.2 21 174 A T T << S+ 0 0 9 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.2 0.218 107.1 64.1-129.5 15.7 8.9 47.4 38.4 22 175 A Y < - 0 0 24 -3,-0.8 2,-0.5 -4,-0.4 -1,-0.2 -0.932 58.7-161.1-144.4 118.5 5.3 46.6 39.5 23 176 A D - 0 0 49 -2,-0.4 3,-0.5 1,-0.1 -3,-0.0 -0.869 8.6-158.5-101.4 124.3 2.1 48.1 38.0 24 177 A D S S+ 0 0 111 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.482 93.8 55.5 -79.5 -1.6 -1.0 47.9 40.1 25 178 A S S S- 0 0 77 80,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.646 93.2-143.6-100.4 -19.9 -3.2 48.4 37.0 26 179 A Y > + 0 0 28 -3,-0.5 3,-0.8 1,-0.1 4,-0.1 0.874 41.6 156.5 57.9 40.8 -1.7 45.5 35.1 27 180 A S G > + 0 0 68 1,-0.2 3,-1.0 2,-0.1 4,-0.2 0.784 59.8 61.7 -69.1 -29.7 -1.9 47.6 31.9 28 181 A D G > S+ 0 0 63 1,-0.2 3,-2.4 2,-0.1 4,-0.5 0.680 79.1 88.9 -72.9 -15.4 0.8 45.8 29.9 29 182 A F G < S+ 0 0 13 -3,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.656 76.6 65.1 -56.1 -19.7 -1.2 42.5 30.1 30 183 A V G < S+ 0 0 110 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.714 93.2 62.6 -76.9 -18.2 -3.0 43.4 26.8 31 184 A R S < S+ 0 0 187 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.752 89.4 88.2 -75.9 -22.8 0.3 43.2 25.1 32 185 A F S S- 0 0 21 -4,-0.5 13,-0.1 -3,-0.4 14,-0.1 -0.106 102.4 -81.2 -65.9 170.5 0.6 39.5 26.0 33 186 A R - 0 0 82 11,-0.5 -1,-0.2 12,-0.2 15,-0.1 -0.633 66.0 -95.1 -73.6 133.4 -0.9 36.8 23.8 34 187 A P - 0 0 93 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.109 38.7-112.0 -51.4 143.2 -4.6 36.7 24.7 35 188 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.300 28.0-159.3 -72.7 162.7 -5.8 34.2 27.3 36 189 A V 0 0 78 79,-0.1 7,-0.1 1,-0.1 9,-0.1 -0.869 360.0 360.0-151.2 112.3 -8.1 31.4 26.2 37 190 A R 0 0 109 -2,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.459 360.0 360.0-109.7 360.0 -10.4 29.4 28.5 38 ! 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 39 251 A R 0 0 225 0, 0.0 79,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 68.2 -5.1 21.6 25.3 40 252 A L + 0 0 22 77,-0.2 79,-0.1 1,-0.1 78,-0.1 0.946 360.0 159.5 49.3 54.4 -2.9 24.0 27.2 41 253 A S + 0 0 34 1,-0.2 4,-0.3 2,-0.1 78,-0.2 0.729 69.4 49.4 -78.0 -26.0 -4.9 26.9 25.9 42 254 A M S > S+ 0 0 0 76,-2.5 4,-2.8 1,-0.2 5,-0.3 0.606 86.7 91.7 -88.3 -12.6 -3.7 29.2 28.7 43 255 A L H > S+ 0 0 8 75,-1.2 4,-1.7 1,-0.2 5,-0.2 0.850 83.6 50.6 -49.3 -45.9 -0.1 28.3 28.0 44 256 A P H > S+ 0 0 22 0, 0.0 4,-1.2 0, 0.0 -11,-0.5 0.902 115.7 41.0 -63.9 -41.4 0.5 31.2 25.5 45 257 A H H > S+ 0 0 0 -4,-0.3 4,-1.9 -3,-0.3 3,-0.2 0.966 116.9 46.2 -71.2 -53.1 -0.9 33.9 27.8 46 258 A L H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.767 107.7 58.3 -62.5 -26.1 0.7 32.7 31.0 47 259 A A H X S+ 0 0 7 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.921 109.2 44.8 -67.9 -43.5 4.0 32.2 29.3 48 260 A D H X S+ 0 0 31 -4,-1.2 4,-2.1 -3,-0.2 -2,-0.2 0.851 111.3 54.7 -66.4 -34.4 4.0 35.9 28.4 49 261 A L H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.947 114.7 38.7 -62.3 -52.4 2.8 36.7 31.9 50 262 A V H X S+ 0 0 40 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.915 115.1 51.4 -64.9 -47.8 5.8 34.9 33.5 51 263 A S H X S+ 0 0 10 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.887 111.7 50.0 -58.3 -39.7 8.3 36.0 30.8 52 264 A Y H X S+ 0 0 34 -4,-2.1 4,-1.4 -5,-0.2 3,-0.4 0.958 110.2 49.5 -61.5 -53.2 7.1 39.5 31.5 53 265 A S H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.789 104.8 58.4 -58.2 -34.1 7.5 39.1 35.2 54 266 A I H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.916 103.9 51.3 -64.5 -41.5 11.0 37.7 34.9 55 267 A Q H X S+ 0 0 101 -4,-1.5 4,-1.1 -3,-0.4 -1,-0.2 0.864 112.6 48.5 -62.3 -33.0 12.1 40.9 33.1 56 268 A K H X S+ 0 0 54 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.910 109.4 49.8 -72.0 -45.5 10.5 42.7 36.1 57 269 A V H X S+ 0 0 3 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.896 109.7 51.7 -61.1 -40.9 12.3 40.6 38.6 58 270 A I H X S+ 0 0 5 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.837 110.2 51.2 -63.4 -32.4 15.6 41.2 36.9 59 271 A G H X S+ 0 0 13 -4,-1.1 4,-0.6 -5,-0.2 -2,-0.2 0.895 112.7 44.0 -71.2 -41.2 14.8 44.9 37.0 60 272 A F H >< S+ 0 0 2 -4,-2.4 3,-1.3 2,-0.2 -2,-0.2 0.943 113.6 51.1 -66.6 -49.9 14.1 44.7 40.8 61 273 A A H >< S+ 0 0 0 -4,-3.3 3,-3.1 1,-0.3 6,-0.2 0.922 100.1 62.1 -53.1 -52.0 17.1 42.6 41.4 62 274 A K H 3< S+ 0 0 42 -4,-2.1 6,-0.3 1,-0.3 -1,-0.3 0.757 108.8 45.3 -48.4 -26.7 19.5 45.0 39.5 63 275 A M T << S+ 0 0 60 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.337 80.0 113.9-101.6 4.1 18.5 47.6 42.2 64 276 A I S X> S- 0 0 1 -3,-3.1 3,-1.9 -4,-0.2 4,-0.6 -0.660 83.1-104.7 -73.1 126.9 18.8 45.4 45.2 65 277 A P T 34 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.365 104.0 15.2 -59.0 121.3 21.8 47.0 47.1 66 278 A G T 34 S+ 0 0 20 -2,-0.2 4,-0.4 4,-0.0 3,-0.3 0.123 99.9 99.9 103.0 -19.2 24.9 44.9 46.7 67 279 A F T X4 S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.2 -5,-0.1 0.882 75.8 54.6 -67.6 -43.0 23.5 42.8 43.8 68 280 A R T 3< S+ 0 0 126 -4,-0.6 -1,-0.2 -6,-0.3 7,-0.1 0.731 101.1 64.2 -66.0 -17.6 25.3 44.6 41.0 69 281 A D T 3 S+ 0 0 118 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.726 85.4 88.8 -77.6 -21.5 28.5 44.0 42.8 70 282 A L S < S- 0 0 7 -3,-1.3 2,-0.2 -4,-0.4 -4,-0.0 -0.173 93.5 -88.7 -68.1 170.4 28.2 40.2 42.4 71 283 A T > - 0 0 62 1,-0.1 4,-2.5 4,-0.0 3,-0.3 -0.549 32.8-112.4 -83.2 149.5 29.6 38.6 39.3 72 284 A A H > S+ 0 0 32 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.873 120.4 52.9 -44.2 -44.0 27.5 38.2 36.2 73 285 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.920 110.2 44.1 -60.7 -49.4 27.6 34.5 36.8 74 286 A D H > S+ 0 0 2 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.781 111.8 54.1 -69.4 -26.9 26.4 34.7 40.4 75 287 A Q H X S+ 0 0 16 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.954 111.6 45.2 -68.7 -47.9 23.7 37.2 39.4 76 288 A I H X S+ 0 0 6 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.867 111.4 52.6 -62.0 -38.0 22.5 34.8 36.8 77 289 A A H X S+ 0 0 12 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.894 112.3 45.3 -66.3 -41.6 22.6 31.8 39.2 78 290 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.942 114.7 47.4 -68.2 -47.8 20.6 33.7 41.8 79 291 A L H X S+ 0 0 4 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.986 111.6 49.7 -57.0 -61.7 18.0 34.9 39.3 80 292 A K H < S+ 0 0 28 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.849 119.8 36.3 -43.1 -49.0 17.5 31.5 37.6 81 293 A S H < S+ 0 0 23 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.888 126.4 36.2 -76.7 -41.7 17.0 29.7 40.9 82 294 A S H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 3,-0.3 0.630 93.9 91.8 -88.1 -12.7 15.1 32.3 42.8 83 295 A A H X S+ 0 0 2 -4,-3.4 4,-2.1 -5,-0.3 3,-0.3 0.918 84.3 47.4 -47.1 -63.0 13.1 33.6 39.8 84 296 A I H > S+ 0 0 18 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.859 114.2 49.1 -51.5 -39.0 10.0 31.5 40.1 85 297 A E H > S+ 0 0 1 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.896 106.5 54.2 -68.8 -40.8 9.7 32.2 43.8 86 298 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -3,-0.3 -1,-0.2 0.870 108.0 53.3 -60.8 -35.1 10.1 36.0 43.4 87 299 A I H X S+ 0 0 22 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.837 108.6 47.6 -68.6 -34.0 7.2 35.7 41.0 88 300 A M H X S+ 0 0 16 -4,-1.3 4,-0.9 -5,-0.2 -2,-0.2 0.868 111.9 50.6 -75.4 -36.1 5.0 33.9 43.5 89 301 A L H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.957 114.9 41.4 -65.4 -50.5 5.9 36.4 46.2 90 302 A R H >< S+ 0 0 15 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.803 105.2 65.2 -67.0 -30.7 5.0 39.4 44.0 91 303 A S H >X S+ 0 0 26 -4,-1.5 3,-1.8 1,-0.3 4,-0.8 0.804 84.3 76.6 -62.4 -28.1 1.9 37.7 42.6 92 304 A N G X< S+ 0 0 14 -4,-0.9 3,-0.5 -3,-0.7 -1,-0.3 0.791 80.6 69.9 -53.5 -28.9 0.5 37.8 46.1 93 305 A Q G <4 S+ 0 0 58 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.853 106.1 37.5 -57.1 -37.7 -0.2 41.6 45.5 94 306 A S G <4 S+ 0 0 13 -3,-1.8 9,-2.6 -4,-0.3 -1,-0.3 0.523 91.8 116.3 -92.6 -7.3 -2.9 40.6 43.0 95 307 A F E << -A 102 0A 5 -4,-0.8 2,-0.5 -3,-0.5 7,-0.2 -0.338 52.4-153.6 -64.4 144.4 -4.2 37.6 45.0 96 308 A S E >> -A 101 0A 21 5,-2.1 4,-1.6 1,-0.1 5,-1.1 -0.959 14.4-165.5-125.6 113.3 -7.7 37.9 46.2 97 309 A L T 45S+ 0 0 68 -2,-0.5 -1,-0.1 1,-0.2 37,-0.0 0.782 89.4 66.3 -65.6 -26.4 -8.8 36.0 49.3 98 310 A E T 45S+ 0 0 183 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.925 122.9 13.0 -60.5 -45.1 -12.4 36.7 48.4 99 311 A D T 45S- 0 0 62 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.314 97.1-122.9-116.7 8.3 -12.2 34.5 45.2 100 312 A M T <5S+ 0 0 70 -4,-1.6 13,-0.7 1,-0.2 2,-0.3 0.916 77.2 100.8 49.4 49.9 -8.9 32.6 45.7 101 313 A S E S- 0 0 50 -2,-0.3 3,-1.0 1,-0.2 4,-0.3 0.130 97.3 -63.9 -48.3 179.1 -11.9 42.1 34.0 107 319 A P G > S+ 0 0 116 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.734 137.0 69.4 -40.8 -23.6 -12.9 38.3 33.9 108 320 A D G 3 S+ 0 0 95 1,-0.2 -2,-0.1 3,-0.1 -72,-0.1 0.960 105.5 30.9 -59.6 -60.7 -10.1 38.1 31.3 109 321 A F G < S+ 0 0 25 -3,-1.0 -5,-2.4 1,-0.1 2,-1.0 -0.030 89.0 110.7 -94.0 29.6 -7.1 38.7 33.5 110 322 A K E < -B 103 0A 63 -3,-0.8 2,-0.6 -4,-0.3 -7,-0.2 -0.778 56.2-162.4-104.8 86.4 -8.6 37.1 36.6 111 323 A Y E -B 102 0A 8 -9,-1.4 -9,-2.8 -2,-1.0 2,-0.3 -0.590 10.8-177.7 -76.0 114.1 -6.4 34.0 36.8 112 324 A C E >> -B 101 0A 42 -2,-0.6 3,-1.8 -11,-0.2 4,-0.9 -0.775 46.3 -89.5-110.4 159.1 -8.0 31.4 39.0 113 325 A I T 34 S+ 0 0 55 -13,-0.7 4,-0.5 -2,-0.3 3,-0.1 0.656 123.8 55.0 -34.8 -30.2 -6.6 28.0 40.0 114 326 A N T >> S+ 0 0 86 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.857 95.9 60.3 -80.7 -36.4 -8.2 26.4 36.9 115 327 A D T <4 S+ 0 0 8 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.745 100.8 58.5 -63.4 -22.6 -6.8 28.6 34.2 116 328 A V T ><>S+ 0 0 26 -4,-0.9 3,-1.3 1,-0.2 5,-0.9 0.784 97.2 60.5 -76.7 -27.8 -3.3 27.5 35.3 117 329 A T G X45S+ 0 0 48 -3,-0.9 3,-1.8 -4,-0.5 4,-0.2 0.855 95.7 60.6 -65.5 -36.2 -4.3 23.9 34.6 118 330 A K G 3<5S+ 0 0 57 -4,-1.1 -76,-2.5 1,-0.3 -75,-1.2 0.190 99.4 61.7 -76.5 18.8 -4.9 24.9 31.0 119 331 A A G < 5S- 0 0 6 -3,-1.3 -1,-0.3 -77,-0.3 -2,-0.2 0.137 131.7 -83.7-127.3 13.5 -1.2 25.8 31.1 120 332 A G T < 5S+ 0 0 30 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.621 91.7 116.2 95.0 15.3 0.1 22.3 31.9 121 333 A H < - 0 0 36 -5,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 -0.874 48.7-145.0-119.1 152.0 -0.3 22.2 35.7 122 334 A T - 0 0 57 -2,-0.3 -1,-0.1 -4,-0.1 -6,-0.0 0.153 24.3-114.2 -90.5-153.7 -2.4 19.9 37.9 123 335 A L S > S+ 0 0 89 3,-0.1 4,-1.7 2,-0.1 -1,-0.0 0.546 105.4 71.5-119.5 -24.7 -4.2 20.6 41.2 124 336 A E T 4 S+ 0 0 143 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.883 116.8 25.7 -59.2 -38.4 -2.2 18.3 43.4 125 337 A L T 4 S+ 0 0 46 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.604 117.2 61.9-100.6 -16.5 0.6 20.8 43.0 126 338 A L T > S+ 0 0 9 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.650 92.8 68.6 -83.3 -14.5 -1.6 23.9 42.4 127 339 A E H X S+ 0 0 108 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.872 94.8 52.1 -71.1 -40.5 -3.1 23.5 45.8 128 340 A P H > S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.777 103.6 59.9 -68.1 -24.4 0.0 24.4 47.8 129 341 A L H > S+ 0 0 26 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.933 110.8 39.1 -67.7 -45.9 0.3 27.6 45.7 130 342 A V H X S+ 0 0 13 -4,-1.2 4,-1.9 2,-0.2 5,-0.2 0.885 113.6 55.2 -69.5 -39.9 -3.1 28.8 46.9 131 343 A K H X S+ 0 0 146 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.889 113.4 43.7 -58.5 -38.5 -2.4 27.5 50.4 132 344 A F H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.834 109.7 53.9 -75.1 -37.6 0.8 29.7 50.2 133 345 A Q H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.790 110.5 49.3 -68.5 -28.5 -0.9 32.8 48.7 134 346 A V H X S+ 0 0 22 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.943 111.1 45.1 -75.2 -53.5 -3.5 32.7 51.5 135 347 A G H < S+ 0 0 19 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.871 115.9 48.7 -59.5 -38.4 -1.1 32.4 54.5 136 348 A L H >< S+ 0 0 2 -4,-1.8 3,-1.2 2,-0.2 5,-0.4 0.935 111.2 49.2 -66.4 -48.1 1.1 35.1 53.0 137 349 A K H >< S+ 0 0 59 -4,-1.6 3,-2.8 1,-0.3 -2,-0.2 0.938 105.3 57.8 -55.6 -51.6 -1.8 37.4 52.3 138 350 A K T 3< S+ 0 0 145 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.666 90.7 72.4 -55.5 -18.6 -3.1 37.0 55.9 139 351 A L T < S- 0 0 25 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.544 89.9-151.2 -75.8 -4.2 0.3 38.2 57.1 140 352 A K < - 0 0 171 -3,-2.8 -2,-0.1 -4,-0.1 -3,-0.1 0.839 22.3-161.9 33.2 53.9 -0.9 41.7 55.9 141 353 A L - 0 0 35 -5,-0.4 2,-0.2 -4,-0.2 -1,-0.1 -0.139 16.1-116.0 -60.0 157.1 2.8 42.6 55.3 142 354 A H > - 0 0 61 1,-0.1 4,-2.5 45,-0.0 5,-0.2 -0.540 30.4-110.0 -86.4 161.9 3.8 46.2 54.9 143 355 A E H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 121.7 56.2 -61.2 -33.9 5.2 47.2 51.5 144 356 A E H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 110.7 41.3 -64.6 -40.7 8.6 47.4 53.3 145 357 A E H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.850 115.4 51.1 -76.4 -34.8 8.4 43.9 54.6 146 358 A H H X S+ 0 0 10 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.929 112.8 45.4 -65.7 -48.6 7.1 42.5 51.3 147 359 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.889 113.8 50.2 -64.1 -39.7 9.8 44.2 49.4 148 360 A L H X S+ 0 0 0 -4,-1.7 4,-3.4 -5,-0.2 3,-0.4 0.964 105.8 55.4 -63.2 -52.2 12.4 43.0 51.9 149 361 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.821 107.3 50.3 -49.8 -38.2 11.2 39.4 51.8 150 362 A M H X S+ 0 0 2 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.890 113.4 45.5 -69.6 -38.9 11.7 39.4 48.0 151 363 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 -3,-0.4 -2,-0.2 0.896 113.6 49.0 -70.1 -40.4 15.2 40.7 48.4 152 364 A I H >< S+ 0 0 1 -4,-3.4 3,-0.6 1,-0.2 -2,-0.2 0.945 111.7 50.1 -63.8 -45.5 16.0 38.3 51.2 153 365 A C H >< S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.3 -1,-0.2 0.842 107.8 53.7 -60.2 -36.4 14.6 35.4 49.0 154 366 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.0 54.8 -71.8 -25.2 16.7 36.5 46.0 155 367 A L T << S+ 0 0 0 -4,-1.2 17,-0.3 -3,-0.6 -1,-0.3 -0.089 70.6 141.3-101.0 34.5 19.9 36.4 48.1 156 368 A S < - 0 0 2 -3,-1.0 13,-0.1 1,-0.2 12,-0.1 -0.712 41.6-156.0 -79.3 114.3 19.5 32.9 49.3 157 369 A P S S+ 0 0 13 0, 0.0 2,-2.1 0, 0.0 -1,-0.2 0.735 79.4 84.6 -59.5 -28.3 23.1 31.5 49.2 158 370 A D + 0 0 92 -3,-0.0 -2,-0.1 2,-0.0 -3,-0.0 -0.401 62.5 124.1 -77.5 60.7 21.7 28.0 48.9 159 371 A R > - 0 0 9 -2,-2.1 3,-2.2 -77,-0.0 -81,-0.1 -0.984 67.6-113.4-126.5 128.4 21.2 28.0 45.1 160 372 A P T 3 S+ 0 0 109 0, 0.0 -79,-0.1 0, 0.0 -2,-0.0 -0.390 106.0 30.1 -59.8 131.2 22.6 25.5 42.7 161 373 A G T 3 S+ 0 0 56 1,-0.3 2,-0.2 -2,-0.0 -84,-0.1 0.115 85.5 138.7 107.5 -18.9 25.2 27.3 40.6 162 374 A V < + 0 0 28 -3,-2.2 -1,-0.3 -85,-0.2 3,-0.2 -0.403 24.5 176.5 -67.7 128.6 26.2 29.8 43.2 163 375 A Q S S+ 0 0 142 -2,-0.2 2,-2.7 1,-0.2 -1,-0.1 0.924 72.5 44.5 -90.9 -75.2 29.9 30.7 43.6 164 376 A D >> + 0 0 53 1,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.293 65.4 157.1 -72.4 56.2 30.6 33.4 46.1 165 377 A H T 34 + 0 0 114 -2,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.534 66.6 62.2 -64.4 -3.3 28.2 31.9 48.7 166 378 A V T 3> S+ 0 0 101 2,-0.1 4,-1.1 -3,-0.1 -1,-0.2 0.889 108.6 36.5 -88.1 -44.3 30.0 33.7 51.4 167 379 A R H X> S+ 0 0 96 -3,-0.6 4,-2.3 2,-0.2 3,-1.2 0.971 114.9 53.5 -70.2 -54.9 29.3 37.3 50.3 168 380 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.810 108.0 56.3 -46.8 -33.8 25.8 36.6 49.0 169 381 A E H 3> S+ 0 0 78 -5,-0.3 4,-1.2 -4,-0.2 -1,-0.3 0.861 105.6 47.7 -68.2 -40.3 25.3 35.2 52.5 170 382 A A H X S+ 0 0 17 -4,-2.3 4,-2.2 1,-0.3 3,-0.5 0.950 107.4 50.8 -52.7 -54.5 24.1 40.5 52.0 172 384 A Q H 3X S+ 0 0 31 -4,-2.0 4,-2.3 -17,-0.3 -1,-0.3 0.839 109.3 53.2 -54.3 -34.2 21.1 38.4 52.9 173 385 A D H 3X S+ 0 0 73 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.848 105.4 52.2 -70.2 -36.8 22.0 38.8 56.6 174 386 A R H S+ 0 0 20 -4,-2.4 4,-3.7 1,-0.2 5,-0.9 0.951 112.8 44.7 -49.2 -61.5 11.7 47.2 60.9 183 395 A I H X5S+ 0 0 6 -4,-2.3 4,-1.0 3,-0.2 7,-0.3 0.882 116.0 50.1 -51.6 -41.4 9.1 44.7 62.1 184 396 A R H <5S+ 0 0 149 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 124.8 23.7 -66.2 -49.2 10.3 45.3 65.7 185 397 A I H <5S+ 0 0 51 -4,-3.3 -2,-0.2 -5,-0.1 -3,-0.2 0.801 135.7 29.2 -90.1 -31.4 10.1 49.1 65.7 186 398 A Q H <5S+ 0 0 106 -4,-3.7 -3,-0.2 -5,-0.4 -2,-0.1 0.555 107.2 70.4-107.4 -9.2 7.6 49.9 63.0 187 399 A H ><< - 0 0 25 -4,-1.0 3,-1.6 -5,-0.9 -1,-0.2 -0.733 69.0-158.2-115.6 86.9 5.3 46.8 63.0 188 400 A P T 3 S+ 0 0 112 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.369 78.1 14.9 -63.5 129.8 3.2 46.8 66.2 189 401 A G T 3 S+ 0 0 48 -5,-0.1 2,-1.3 -2,-0.1 3,-0.4 0.224 93.2 114.2 91.6 -14.2 1.8 43.4 67.1 190 402 A G < + 0 0 10 -3,-1.6 4,-0.5 -7,-0.3 -3,-0.1 -0.461 24.5 129.0 -91.7 66.4 4.2 41.5 64.8 191 403 A R S S+ 0 0 195 -2,-1.3 4,-0.3 2,-0.1 -1,-0.2 0.839 82.6 34.8 -83.9 -37.1 6.3 39.7 67.3 192 404 A L S >> S+ 0 0 103 -3,-0.4 4,-1.3 1,-0.1 3,-0.8 0.749 97.4 93.1 -86.1 -28.6 6.0 36.2 65.7 193 405 A L H >> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 3,-1.4 0.800 76.0 55.0 -30.1 -71.3 6.0 37.7 62.2 194 406 A Y H 3> S+ 0 0 53 -4,-0.5 4,-2.2 1,-0.3 -1,-0.2 0.867 111.0 46.7 -35.3 -56.5 9.7 37.5 61.2 195 407 A A H <> S+ 0 0 65 -3,-0.8 4,-1.6 -4,-0.3 -1,-0.3 0.823 111.3 52.3 -59.1 -33.7 9.7 33.8 61.9 196 408 A K H X S+ 0 0 62 -4,-2.2 3,-1.4 -5,-0.3 4,-1.2 0.901 105.4 57.7 -65.4 -39.3 11.2 33.1 57.0 199 411 A Q H 3X S+ 0 0 111 -4,-1.6 4,-1.4 1,-0.3 3,-0.4 0.886 97.6 62.7 -57.0 -38.1 9.0 30.0 57.0 200 412 A K H 3X S+ 0 0 32 -4,-1.3 4,-1.4 1,-0.2 -1,-0.3 0.760 98.1 56.1 -59.2 -26.9 7.4 31.3 53.8 201 413 A L H X S+ 0 0 72 -4,-1.8 4,-1.0 2,-0.2 3,-0.5 0.971 116.5 45.8 -58.2 -55.3 8.0 17.6 31.4 218 430 A L H >< S+ 0 0 13 -4,-2.0 3,-0.9 1,-0.2 7,-0.5 0.912 111.8 50.0 -55.3 -48.2 6.3 20.5 29.5 219 431 A S H 3< S+ 0 0 29 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.784 105.0 60.6 -64.3 -25.7 9.6 22.0 28.2 220 432 A F H << S+ 0 0 148 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.751 89.3 76.3 -73.1 -25.9 10.6 18.5 27.0 221 433 A Q S XX S- 0 0 83 -4,-1.0 4,-2.3 -3,-0.9 3,-2.2 -0.795 73.5-154.6 -91.0 106.8 7.6 18.3 24.7 222 434 A P H 3> S+ 0 0 91 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.690 90.8 64.5 -52.2 -25.7 8.5 20.5 21.7 223 435 A E H 34 S+ 0 0 107 2,-0.2 -4,-0.1 1,-0.1 -5,-0.0 0.772 114.8 33.2 -71.9 -22.5 4.8 21.0 20.9 224 436 A H H X> S+ 0 0 19 -3,-2.2 3,-2.5 -6,-0.3 4,-0.6 0.845 111.7 57.8 -97.1 -45.8 4.6 22.8 24.2 225 437 A S H >< S+ 0 0 24 -4,-2.3 3,-1.2 -7,-0.5 -2,-0.2 0.816 95.6 67.5 -57.3 -30.7 8.0 24.4 24.6 226 438 A M T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.581 95.9 57.7 -66.7 -8.0 7.3 26.3 21.3 227 439 A Q T <4 S+ 0 0 53 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.675 93.2 84.2 -91.8 -23.4 4.6 28.1 23.2 228 440 A L S << S- 0 0 17 -3,-1.2 -180,-0.1 -4,-0.6 -181,-0.0 -0.139 83.8-113.2 -71.7 172.3 7.1 29.4 25.8 229 441 A T > - 0 0 16 -182,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.764 23.7-110.5-107.3 157.8 9.2 32.5 25.2 230 442 A P H > S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.906 117.8 52.8 -51.4 -46.4 13.0 32.6 24.8 231 443 A L H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 112.6 43.9 -59.0 -44.0 13.5 34.3 28.1 232 444 A V H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.966 112.4 52.1 -64.2 -52.2 11.5 31.6 30.0 233 445 A L H < S+ 0 0 68 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.856 116.2 42.8 -51.5 -36.7 13.2 28.8 28.0 234 446 A E H < S+ 0 0 35 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.865 114.7 46.2 -80.5 -38.6 16.5 30.4 29.1 235 447 A V H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.878 122.8 34.6 -72.5 -38.4 15.7 31.2 32.7 236 448 A F S < S+ 0 0 39 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.489 101.2 101.0 -94.4 -4.9 14.2 27.8 33.6 237 449 A G S S- 0 0 24 -5,-0.4 -3,-0.1 -4,-0.4 -21,-0.0 -0.335 71.5-134.2 -76.5 162.7 16.5 25.9 31.2 238 450 A S S S+ 0 0 107 1,-0.1 2,-4.7 -2,-0.1 -1,-0.1 0.579 70.1 112.7 -94.9 -10.8 19.5 24.0 32.5 239 451 A E 0 0 86 1,-0.2 4,-0.2 -5,-0.0 -1,-0.1 -0.128 360.0 360.0 -61.4 56.0 22.2 25.1 30.0 240 452 A V 0 0 104 -2,-4.7 -1,-0.2 2,-0.1 -2,-0.1 0.954 360.0 360.0 -80.9 360.0 24.0 27.0 32.8 241 !* 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 0.0 242 686 B R 0 0 85 0, 0.0 -2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -51.8 25.8 31.2 27.5 243 687 B H > + 0 0 27 -4,-0.2 4,-1.6 3,-0.1 5,-0.2 0.951 360.0 178.2 63.3 51.5 22.6 32.9 28.7 244 688 B K H >> S+ 0 0 185 1,-0.2 4,-1.7 2,-0.2 3,-0.6 0.952 77.0 38.2 -47.5 -62.9 22.5 35.4 25.8 245 689 B I H 3> S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.943 114.0 52.5 -56.6 -56.8 19.3 37.1 26.9 246 690 B L H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.720 109.5 52.8 -54.8 -24.0 19.8 37.0 30.7 247 691 B H H << S+ 0 0 79 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.911 108.5 46.6 -78.5 -46.7 23.2 38.7 30.1 248 692 B R H >< S+ 0 0 193 -4,-1.7 3,-1.2 -3,-0.2 -2,-0.2 0.876 111.3 53.9 -62.9 -38.8 22.0 41.6 28.1 249 693 B L H 3< S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.874 98.7 58.8 -66.2 -39.5 19.2 42.2 30.6 250 694 B L T 3< 0 0 14 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.250 360.0 360.0 -73.5 19.2 21.5 42.4 33.6 251 695 B Q < 0 0 81 -3,-1.2 -1,-0.2 -5,-0.0 -4,-0.1 -0.375 360.0 360.0 75.2 360.0 22.9 45.2 31.4