==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION ACTIVATOR 06-DEC-12 4IA1 . COMPND 2 MOLECULE: VITAMIN D3 RECEPTOR A; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR H.MAEHR,N.ROCHEL,N.SUH,M.USKOKOVIC . 249 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 75.1 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 . 6 2.4 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 . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 2 0 0 0 0 0 1 0 0 0 1 1 0 2 0 0 1 0 0 0 0 1 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 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 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 0 194 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.0 15.6 51.1 70.1 2 155 A M - 0 0 139 182,-0.0 2,-0.1 183,-0.0 180,-0.1 -0.943 360.0 -78.4-150.9 171.8 15.5 52.1 66.4 3 156 A L - 0 0 26 -2,-0.3 2,-0.1 1,-0.1 175,-0.0 -0.367 44.6-120.3 -73.9 151.2 16.7 51.5 62.8 4 157 A S > - 0 0 47 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.385 26.2-106.7 -87.3 167.7 20.1 52.9 61.6 5 158 A D H > S+ 0 0 119 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.678 121.8 53.8 -66.4 -15.6 20.6 55.2 58.7 6 159 A E H > S+ 0 0 109 2,-0.2 4,-1.8 3,-0.1 3,-0.5 0.960 107.3 43.4 -80.5 -62.7 21.9 52.2 56.9 7 160 A Q H > S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.862 113.9 55.7 -51.9 -38.1 19.0 49.8 57.3 8 161 A M H X S+ 0 0 71 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.897 105.8 48.8 -64.2 -42.0 16.8 52.7 56.5 9 162 A Q H X S+ 0 0 107 -4,-0.9 4,-1.9 -3,-0.5 -1,-0.2 0.790 107.6 55.9 -70.2 -26.3 18.5 53.4 53.2 10 163 A I H X S+ 0 0 13 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.959 108.5 48.1 -67.0 -49.9 18.3 49.7 52.3 11 164 A I H X S+ 0 0 14 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.912 108.3 54.0 -56.3 -46.9 14.6 49.8 52.7 12 165 A N H X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.924 111.4 45.8 -53.8 -48.6 14.2 53.0 50.6 13 166 A S H X S+ 0 0 51 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.902 114.5 46.0 -62.2 -46.1 16.1 51.3 47.7 14 167 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.927 114.7 46.2 -65.7 -45.8 14.1 48.1 47.9 15 168 A V H X S+ 0 0 19 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.898 116.5 45.8 -64.2 -40.2 10.7 49.7 48.2 16 169 A E H X S+ 0 0 107 -4,-2.2 4,-2.4 -5,-0.4 -2,-0.2 0.950 111.4 52.5 -66.9 -46.9 11.6 52.1 45.4 17 170 A A H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.925 110.8 48.0 -52.2 -49.5 13.0 49.2 43.3 18 171 A H H >X S+ 0 0 3 -4,-2.7 3,-1.3 1,-0.2 4,-0.7 0.936 109.7 50.6 -58.8 -49.3 9.7 47.3 43.7 19 172 A H H >< S+ 0 0 100 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.874 109.0 54.5 -56.0 -37.2 7.5 50.3 42.8 20 173 A K H 3< S+ 0 0 126 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.688 116.6 35.8 -71.0 -20.3 9.6 50.7 39.8 21 174 A T H << S+ 0 0 12 -3,-1.3 2,-0.4 -4,-0.9 -1,-0.2 0.250 107.4 66.4-119.5 13.4 9.1 47.1 38.7 22 175 A Y << - 0 0 21 -4,-0.7 2,-0.8 -3,-0.6 -1,-0.2 -0.862 58.6-161.0-142.3 107.5 5.5 46.3 39.7 23 176 A D > - 0 0 50 -2,-0.4 3,-1.9 1,-0.1 5,-0.1 -0.753 6.9-157.9 -89.9 110.3 2.4 47.9 38.2 24 177 A D T 3 S+ 0 0 103 -2,-0.8 -1,-0.1 1,-0.3 -5,-0.0 0.523 93.5 54.5 -63.6 -4.8 -0.7 47.6 40.4 25 178 A S T 3 S- 0 0 78 80,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.506 94.6-142.6-103.8 -9.5 -3.0 48.1 37.3 26 179 A Y X + 0 0 24 -3,-1.9 3,-1.4 1,-0.1 4,-0.2 0.793 42.7 156.1 51.3 34.3 -1.4 45.3 35.3 27 180 A S G > + 0 0 68 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 0.762 61.0 63.3 -61.0 -27.7 -1.8 47.5 32.2 28 181 A D G > S+ 0 0 49 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.672 77.8 86.7 -72.7 -17.4 1.0 45.7 30.3 29 182 A F G X S+ 0 0 12 -3,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.672 72.4 73.5 -58.0 -17.9 -0.8 42.3 30.3 30 183 A V G < S+ 0 0 111 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.581 89.2 61.5 -73.4 -8.5 -2.6 43.3 27.1 31 184 A R G < S+ 0 0 178 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.485 85.6 94.4 -94.3 -4.3 0.6 42.8 25.2 32 185 A F S < S- 0 0 19 -3,-1.3 13,-0.1 -4,-0.2 14,-0.1 -0.479 98.9 -85.8 -81.7 156.5 0.8 39.1 26.2 33 186 A R - 0 0 77 11,-0.4 15,-0.1 -2,-0.1 -1,-0.1 -0.487 66.2 -97.4 -60.1 128.5 -0.6 36.4 23.8 34 187 A P - 0 0 94 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.097 38.5-108.0 -51.3 142.7 -4.3 36.4 24.9 35 188 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.274 28.6-157.6 -69.2 161.5 -5.5 33.8 27.4 36 189 A V 0 0 78 5,-0.1 7,-0.1 79,-0.1 9,-0.1 -0.934 360.0 360.0-145.8 116.8 -7.7 31.0 26.2 37 190 A R 0 0 106 -2,-0.3 78,-0.0 5,-0.1 77,-0.0 -0.708 360.0 360.0-118.2 360.0 -10.0 29.0 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 0 221 0, 0.0 4,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 73.8 -3.6 21.2 24.5 40 252 A L > - 0 0 14 1,-0.1 3,-0.8 77,-0.1 79,-0.1 0.998 360.0-177.8 63.2 68.1 -2.8 23.7 27.2 41 253 A S T 3 S+ 0 0 44 1,-0.2 4,-0.3 2,-0.1 78,-0.2 0.643 79.5 54.2 -71.7 -16.3 -4.7 26.7 25.8 42 254 A M T 3> S+ 0 0 0 76,-2.6 4,-2.5 73,-0.2 5,-0.3 0.570 83.1 89.9 -93.9 -10.9 -3.4 28.9 28.7 43 255 A L H <> S+ 0 0 8 75,-0.9 4,-2.3 -3,-0.8 5,-0.3 0.875 83.1 51.7 -55.9 -46.0 0.3 28.2 28.1 44 256 A P H > S+ 0 0 22 0, 0.0 4,-1.7 0, 0.0 -11,-0.4 0.917 114.5 43.9 -61.9 -37.8 1.0 31.0 25.6 45 257 A H H > S+ 0 0 0 -4,-0.3 4,-2.2 -11,-0.2 -2,-0.2 0.955 117.3 42.1 -71.1 -50.0 -0.5 33.6 28.0 46 258 A L H X S+ 0 0 24 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.821 111.0 57.5 -67.6 -29.6 1.1 32.4 31.2 47 259 A A H X S+ 0 0 6 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.957 110.4 44.1 -63.6 -47.6 4.4 31.8 29.4 48 260 A D H X S+ 0 0 27 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.860 114.0 51.1 -64.3 -33.7 4.3 35.5 28.5 49 261 A L H X S+ 0 0 31 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 112.6 44.4 -68.7 -47.6 3.2 36.4 32.0 50 262 A V H X S+ 0 0 36 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.882 114.5 50.6 -63.4 -36.4 6.1 34.5 33.6 51 263 A S H X S+ 0 0 11 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.908 109.1 50.0 -67.7 -43.5 8.5 35.9 31.0 52 264 A Y H X S+ 0 0 23 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.882 111.8 50.6 -60.4 -40.1 7.3 39.5 31.7 53 265 A S H X S+ 0 0 7 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.858 103.1 57.4 -67.5 -39.0 7.8 38.7 35.4 54 266 A I H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.961 107.3 49.5 -56.8 -50.3 11.4 37.4 35.0 55 267 A Q H X S+ 0 0 95 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.867 112.7 47.6 -56.5 -37.8 12.3 40.7 33.4 56 268 A K H X S+ 0 0 57 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.926 109.9 50.6 -69.9 -45.9 10.7 42.5 36.3 57 269 A V H X S+ 0 0 2 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.830 109.9 53.1 -60.2 -32.7 12.4 40.3 39.0 58 270 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.919 108.3 48.4 -69.0 -44.1 15.7 41.0 37.2 59 271 A G H < S+ 0 0 23 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.879 113.4 48.3 -63.5 -38.1 15.1 44.8 37.3 60 272 A F H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.937 109.9 52.0 -66.9 -45.8 14.3 44.5 41.0 61 273 A A H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.3 6,-0.2 0.894 100.9 60.0 -57.4 -46.0 17.4 42.3 41.7 62 274 A K T 3< S+ 0 0 53 -4,-2.2 -1,-0.3 1,-0.3 6,-0.3 0.677 107.1 48.8 -58.8 -17.7 19.8 44.8 40.1 63 275 A M T < S+ 0 0 66 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.418 80.2 109.7-102.9 -0.4 18.7 47.3 42.6 64 276 A I S X> S- 0 0 1 -3,-2.3 3,-1.7 -4,-0.3 4,-0.7 -0.659 84.4-111.3 -72.5 119.2 19.0 45.1 45.6 65 277 A P T 34 S+ 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.302 99.8 18.0 -56.7 130.2 22.0 46.7 47.3 66 278 A G T >4 S+ 0 0 18 -4,-0.1 3,-0.5 4,-0.0 4,-0.3 -0.014 103.0 91.1 100.3 -30.9 25.1 44.4 47.2 67 279 A F G X4 S+ 0 0 0 -3,-1.7 3,-2.0 1,-0.2 -5,-0.1 0.916 78.0 57.4 -64.4 -47.8 23.7 42.2 44.3 68 280 A R G 3< S+ 0 0 117 -4,-0.7 -1,-0.2 1,-0.3 -6,-0.1 0.727 102.7 60.2 -58.4 -19.2 25.2 44.2 41.4 69 281 A D G < S+ 0 0 108 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.574 84.5 92.2 -86.7 -11.4 28.6 43.6 43.0 70 282 A L S < S- 0 0 7 -3,-2.0 -4,-0.0 -4,-0.3 2,-0.0 -0.270 93.7 -82.4 -73.4 170.4 28.4 39.8 42.8 71 283 A T > - 0 0 66 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.342 34.8-114.8 -72.0 158.3 29.9 38.1 39.8 72 284 A A H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 119.3 53.2 -56.1 -46.6 27.8 37.9 36.6 73 285 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 110.0 45.1 -56.4 -44.6 27.9 34.1 37.1 74 286 A D H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.836 110.6 54.7 -70.4 -33.6 26.6 34.3 40.7 75 287 A Q H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.943 112.0 44.3 -63.2 -46.7 24.0 36.8 39.8 76 288 A I H X S+ 0 0 7 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.909 111.3 52.6 -64.1 -43.9 22.7 34.4 37.1 77 289 A A H X S+ 0 0 13 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.908 112.7 45.9 -59.3 -42.1 22.9 31.4 39.5 78 290 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.917 114.7 46.5 -66.9 -46.0 20.8 33.3 42.0 79 291 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.2 3,-0.2 0.955 111.2 52.2 -62.1 -50.2 18.3 34.4 39.4 80 292 A K H < S+ 0 0 27 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.930 115.4 38.6 -52.4 -54.2 17.9 31.0 37.8 81 293 A S H < S+ 0 0 20 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.724 125.6 35.4 -73.6 -22.4 17.2 29.1 41.0 82 294 A S H >X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.2 3,-1.0 0.611 87.0 95.4-107.5 -11.9 15.0 31.7 42.7 83 295 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.3 5,-0.2 0.890 87.0 48.4 -44.6 -55.3 13.1 33.3 39.8 84 296 A I H 3> S+ 0 0 16 -4,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.823 112.5 50.2 -58.3 -31.9 10.0 31.1 40.2 85 297 A E H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.914 108.3 50.2 -74.2 -42.6 10.0 31.8 44.0 86 298 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.877 109.6 53.2 -62.4 -36.3 10.2 35.6 43.5 87 299 A I H X S+ 0 0 19 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.944 108.7 48.7 -62.7 -47.9 7.3 35.4 41.0 88 300 A M H < S+ 0 0 16 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.866 114.4 47.3 -60.1 -36.7 5.2 33.5 43.6 89 301 A L H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.951 112.3 45.5 -71.4 -51.3 6.0 36.0 46.2 90 302 A R H >< S+ 0 0 16 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.817 103.9 65.5 -62.9 -29.5 5.3 39.2 44.2 91 303 A S G >X S+ 0 0 19 -4,-2.1 3,-1.8 1,-0.3 4,-0.7 0.639 79.2 81.1 -68.6 -13.7 2.1 37.7 42.9 92 304 A N G X4 S+ 0 0 11 -3,-1.5 3,-1.0 -4,-0.3 -1,-0.3 0.869 81.7 67.6 -57.9 -33.6 0.7 37.8 46.4 93 305 A Q G <4 S+ 0 0 55 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.691 107.2 36.1 -59.9 -23.0 -0.0 41.5 45.6 94 306 A S G <4 S+ 0 0 15 -3,-1.8 9,-2.7 -4,-0.2 2,-0.5 0.424 92.9 110.4-109.8 -0.8 -2.6 40.5 43.0 95 307 A F E << -A 102 0A 1 -3,-1.0 2,-0.5 -4,-0.7 7,-0.3 -0.628 53.0-158.6 -80.4 123.2 -4.0 37.5 44.9 96 308 A S E >> -A 101 0A 22 5,-3.3 4,-1.0 -2,-0.5 5,-1.0 -0.889 12.9-156.4-104.8 123.4 -7.5 38.0 46.3 97 309 A L T 45S+ 0 0 65 -2,-0.5 -1,-0.1 2,-0.2 5,-0.0 0.777 90.2 68.6 -66.1 -24.7 -8.5 35.8 49.2 98 310 A E T 45S+ 0 0 171 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.986 117.4 16.3 -57.0 -66.4 -12.1 36.4 48.1 99 311 A D T 45S- 0 0 65 2,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.370 100.2-124.9 -91.4 5.4 -12.1 34.5 44.9 100 312 A M T <5S+ 0 0 72 -4,-1.0 13,-0.3 1,-0.2 2,-0.3 0.805 76.9 102.2 55.7 32.3 -8.9 32.5 45.7 101 313 A S E S+ 0 0 107 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 0.898 136.2 56.8 -78.4 -42.0 -12.5 38.4 33.2 108 320 A D T 3 S+ 0 0 89 1,-0.2 -72,-0.0 3,-0.0 -3,-0.0 0.832 111.5 39.5 -58.6 -40.2 -9.5 37.8 30.9 109 321 A F T 3 S+ 0 0 33 2,-0.1 -5,-2.2 -74,-0.0 2,-0.8 0.060 83.8 108.7-103.5 25.3 -6.8 38.5 33.5 110 322 A K E < -B 103 0A 56 -3,-1.3 2,-0.7 -7,-0.2 -7,-0.2 -0.896 61.5-151.2-100.0 107.8 -8.4 36.9 36.5 111 323 A Y E -B 102 0A 9 -9,-2.8 -9,-2.1 -2,-0.8 2,-0.2 -0.735 15.6-174.6 -89.5 113.9 -6.2 33.8 37.0 112 324 A C >> - 0 0 41 -2,-0.7 4,-1.2 -11,-0.2 3,-0.5 -0.674 42.0-106.5-102.6 158.8 -8.0 30.9 38.7 113 325 A I H 3> S+ 0 0 48 -13,-0.3 4,-0.8 -2,-0.2 3,-0.2 0.874 119.9 62.2 -48.4 -39.8 -6.5 27.6 39.8 114 326 A N H >> S+ 0 0 89 1,-0.2 3,-1.7 2,-0.2 4,-0.9 0.933 97.0 55.1 -52.2 -54.8 -8.3 26.1 36.7 115 327 A D H X4 S+ 0 0 4 -3,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.865 99.5 58.4 -49.9 -46.9 -6.4 28.2 34.2 116 328 A V H ><>S+ 0 0 28 -4,-1.2 5,-1.4 1,-0.3 3,-0.9 0.769 101.7 58.7 -58.3 -23.2 -2.9 27.1 35.4 117 329 A T H X<5S+ 0 0 43 -3,-1.7 3,-1.4 -4,-0.8 -1,-0.3 0.831 95.9 59.8 -74.1 -32.9 -4.1 23.6 34.6 118 330 A K T <<5S+ 0 0 58 -3,-1.1 -76,-2.6 -4,-0.9 -75,-0.9 0.186 102.5 60.3 -78.9 20.3 -4.7 24.5 31.0 119 331 A A T < 5S- 0 0 5 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.158 130.2 -81.8-132.0 16.0 -1.0 25.3 31.1 120 332 A G T < 5S+ 0 0 27 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.409 91.5 117.0 100.7 -1.7 0.6 22.0 31.9 121 333 A H < - 0 0 31 -5,-1.4 -1,-0.3 94,-0.0 -2,-0.2 -0.809 55.0-133.5-107.4 143.3 0.1 21.9 35.7 122 334 A T > - 0 0 62 -2,-0.4 4,-1.0 1,-0.1 3,-0.4 -0.477 16.5-126.2 -87.3 160.1 -1.9 19.4 37.8 123 335 A L H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.797 106.5 65.6 -76.1 -31.3 -4.3 20.4 40.6 124 336 A E H 4 S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.757 112.4 37.8 -62.8 -20.2 -2.7 18.2 43.2 125 337 A L H > S+ 0 0 22 -3,-0.4 4,-0.6 2,-0.1 -1,-0.2 0.677 108.5 60.2-102.1 -23.6 0.3 20.5 42.8 126 338 A L H X S+ 0 0 13 -4,-1.0 4,-1.8 1,-0.2 5,-0.2 0.706 91.6 75.2 -75.4 -19.1 -1.5 23.8 42.4 127 339 A E H X S+ 0 0 115 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.906 91.5 48.9 -61.1 -47.0 -3.0 23.2 45.9 128 340 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.836 107.9 58.2 -64.6 -28.5 0.1 24.0 47.9 129 341 A L H X S+ 0 0 25 -4,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.962 109.5 41.1 -64.1 -52.5 0.5 27.2 45.8 130 342 A V H X S+ 0 0 21 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.908 113.8 54.2 -61.3 -42.8 -2.9 28.6 46.8 131 343 A K H X S+ 0 0 143 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.892 110.9 46.8 -57.9 -40.1 -2.3 27.4 50.3 132 344 A F H X S+ 0 0 6 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.939 110.8 50.9 -67.1 -48.5 0.9 29.4 50.3 133 345 A Q H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.860 111.3 49.3 -57.9 -38.7 -0.7 32.5 48.8 134 346 A V H X S+ 0 0 25 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.934 113.0 45.5 -68.2 -46.3 -3.4 32.4 51.5 135 347 A G H X S+ 0 0 18 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.929 115.2 47.4 -62.5 -44.3 -1.0 32.0 54.3 136 348 A L H < S+ 0 0 0 -4,-3.0 5,-0.5 1,-0.2 -1,-0.2 0.888 110.2 52.6 -64.5 -39.6 1.2 34.8 52.9 137 349 A K H >< S+ 0 0 67 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.2 0.917 105.6 55.4 -62.4 -43.3 -1.7 37.1 52.4 138 350 A K H 3< S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 89.1 72.7 -61.7 -32.3 -2.8 36.7 56.0 139 351 A L T 3< S- 0 0 26 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.617 92.1-149.2 -59.5 -6.0 0.5 37.8 57.3 140 352 A K < - 0 0 170 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.849 21.8-160.9 35.3 55.0 -0.7 41.2 56.1 141 353 A L - 0 0 32 -5,-0.5 2,-0.2 -4,-0.1 -1,-0.1 -0.174 14.6-120.5 -62.6 151.8 2.9 42.3 55.4 142 354 A H > - 0 0 61 1,-0.1 4,-2.4 0, 0.0 3,-0.5 -0.508 32.9-106.9 -83.9 164.2 3.9 45.9 55.1 143 355 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.825 122.9 56.1 -62.2 -30.1 5.4 46.9 51.8 144 356 A E H > S+ 0 0 58 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.827 110.0 43.2 -70.8 -33.0 8.7 47.1 53.6 145 357 A E H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.860 114.6 49.5 -80.7 -35.8 8.5 43.5 54.8 146 358 A H H X S+ 0 0 7 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.852 112.9 46.7 -69.8 -37.5 7.2 42.1 51.5 147 359 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.835 113.6 49.0 -75.2 -33.0 10.0 43.8 49.6 148 360 A L H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 5,-0.2 0.898 106.8 56.1 -71.7 -42.7 12.6 42.6 52.2 149 361 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.865 107.2 49.9 -58.6 -36.6 11.2 39.1 52.0 150 362 A M H X S+ 0 0 2 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.896 112.3 46.3 -69.5 -40.2 11.8 39.1 48.2 151 363 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.901 111.5 52.0 -68.4 -40.3 15.4 40.3 48.6 152 364 A I H < S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.2 -2,-0.2 0.939 111.9 47.1 -58.8 -47.8 16.0 37.7 51.4 153 365 A C H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.913 110.3 51.8 -60.4 -45.6 14.7 35.0 49.1 154 366 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.707 108.6 52.2 -67.5 -21.2 16.8 36.1 46.1 155 367 A L T 3< S+ 0 0 0 -4,-1.3 17,-0.3 -3,-0.5 -1,-0.3 -0.042 72.1 141.8-106.4 32.1 20.0 36.2 48.2 156 368 A S < - 0 0 5 -3,-1.2 13,-0.1 1,-0.2 3,-0.1 -0.628 42.5-153.2 -74.5 122.5 19.8 32.6 49.5 157 369 A P S S+ 0 0 13 0, 0.0 2,-1.7 0, 0.0 -1,-0.2 0.754 81.9 80.7 -66.9 -24.3 23.3 31.2 49.6 158 370 A D + 0 0 96 11,-0.0 -2,-0.1 7,-0.0 -3,-0.0 -0.450 64.9 117.6 -82.7 63.1 21.9 27.6 49.3 159 371 A R S > S- 0 0 11 -2,-1.7 3,-1.6 -3,-0.1 -81,-0.1 -0.983 70.9-104.7-129.1 140.5 21.3 27.6 45.5 160 372 A P T 3 S+ 0 0 108 0, 0.0 -79,-0.2 0, 0.0 3,-0.1 -0.337 105.2 25.3 -62.1 147.6 22.9 25.3 43.0 161 373 A G T 3 S+ 0 0 52 1,-0.3 -84,-0.2 79,-0.1 -83,-0.1 0.254 85.3 135.3 85.8 -14.4 25.6 27.0 40.9 162 374 A V < - 0 0 24 -3,-1.6 -1,-0.3 -85,-0.2 3,-0.2 -0.439 29.3-177.5 -70.1 143.1 26.4 29.7 43.5 163 375 A Q S S+ 0 0 136 1,-0.2 2,-2.3 -2,-0.1 -1,-0.1 0.852 71.8 43.7-102.9 -70.4 30.1 30.4 44.0 164 376 A D >> + 0 0 70 1,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.457 65.0 161.0 -79.2 66.7 30.9 33.0 46.7 165 377 A H H 3> + 0 0 108 -2,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.541 69.9 60.7 -68.9 -5.2 28.3 31.5 49.1 166 378 A V H 3> S+ 0 0 97 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.833 106.4 43.9 -86.4 -37.8 30.0 33.4 51.9 167 379 A R H <> S+ 0 0 115 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.849 115.8 46.8 -74.7 -35.6 29.4 36.8 50.4 168 380 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.871 110.6 55.6 -71.4 -36.1 25.8 36.0 49.5 169 381 A E H X S+ 0 0 76 -4,-0.7 4,-2.2 -5,-0.3 -2,-0.2 0.920 108.5 46.7 -59.0 -47.7 25.5 34.6 53.0 170 382 A A H X S+ 0 0 48 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 111.1 50.7 -63.0 -46.6 26.6 38.0 54.4 171 383 A L H X S+ 0 0 14 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.921 110.7 48.9 -59.3 -46.7 24.3 40.0 52.2 172 384 A Q H X S+ 0 0 22 -4,-2.5 4,-3.0 -17,-0.3 5,-0.2 0.937 108.5 53.8 -60.9 -46.4 21.3 38.0 53.1 173 385 A D H X S+ 0 0 76 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.917 106.7 51.1 -54.4 -47.4 22.1 38.2 56.9 174 386 A R H X S+ 0 0 99 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.895 113.1 47.0 -57.8 -38.2 22.2 42.0 56.7 175 387 A L H X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.898 109.4 52.5 -69.2 -41.6 18.8 41.9 55.0 176 388 A C H X S+ 0 0 15 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.829 107.6 54.5 -63.0 -31.5 17.4 39.5 57.6 177 389 A D H X S+ 0 0 93 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.926 106.7 49.0 -67.5 -45.8 18.6 41.9 60.2 178 390 A V H X S+ 0 0 1 -4,-1.7 4,-3.8 2,-0.2 5,-0.3 0.935 112.0 48.8 -58.9 -47.7 16.7 44.8 58.7 179 391 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.912 114.4 46.2 -59.7 -42.7 13.6 42.7 58.5 180 392 A Q H X S+ 0 0 93 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.941 117.1 42.8 -65.7 -46.8 14.0 41.6 62.1 181 393 A A H X S+ 0 0 6 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.921 114.6 50.7 -66.0 -45.1 14.7 45.2 63.3 182 394 A Y H X S+ 0 0 16 -4,-3.8 4,-3.1 -5,-0.2 5,-0.5 0.929 108.6 51.3 -58.7 -48.2 11.9 46.7 61.2 183 395 A I H X S+ 0 0 5 -4,-2.4 4,-1.3 -5,-0.3 7,-0.3 0.891 113.6 45.6 -57.3 -40.9 9.3 44.2 62.4 184 396 A R H < S+ 0 0 129 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.945 120.0 38.1 -67.8 -49.9 10.2 45.0 66.0 185 397 A I H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.894 132.7 19.9 -70.5 -44.5 10.3 48.8 65.6 186 398 A Q H < S+ 0 0 100 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.447 103.3 83.9-110.5 -0.4 7.4 49.4 63.3 187 399 A H >< - 0 0 23 -4,-1.3 3,-2.0 -5,-0.5 2,-0.2 -0.740 59.6-156.5-115.3 92.7 5.2 46.3 63.4 188 400 A P T 3 S+ 0 0 115 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.405 84.2 11.7 -62.7 125.4 2.6 46.2 66.3 189 401 A G T 3 S+ 0 0 51 -2,-0.2 3,-0.4 -5,-0.1 -5,-0.1 0.481 95.1 113.9 87.1 3.9 1.7 42.6 67.1 190 402 A G <> + 0 0 4 -3,-2.0 4,-0.7 -7,-0.3 3,-0.1 -0.164 23.4 123.1-103.0 42.7 4.5 41.1 65.0 191 403 A R T 4 S+ 0 0 189 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.816 90.7 30.0 -69.1 -29.9 6.6 39.4 67.6 192 404 A L T > S+ 0 0 97 -3,-0.4 4,-1.3 2,-0.1 -1,-0.2 0.372 96.9 93.7-108.3 2.1 6.2 36.1 65.9 193 405 A L H >> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.928 79.2 57.1 -59.3 -51.2 5.9 37.5 62.3 194 406 A Y H 3X S+ 0 0 52 -4,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.900 106.9 48.6 -48.5 -49.3 9.6 37.2 61.5 195 407 A A H 3> S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.831 110.4 52.4 -63.3 -31.6 9.6 33.4 62.2 196 408 A K H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.7 0.917 107.3 51.1 -65.7 -44.5 8.2 34.8 57.2 198 410 A I H 3X S+ 0 0 59 -4,-2.2 4,-1.1 1,-0.3 -1,-0.2 0.837 105.3 58.0 -63.0 -30.2 11.2 32.6 57.3 199 411 A Q H 3X S+ 0 0 105 -4,-1.2 4,-1.9 1,-0.2 -1,-0.3 0.801 98.7 59.5 -68.3 -28.3 8.9 29.6 57.2 200 412 A K H < S+ 0 0 71 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.914 113.7 51.1 -56.0 -45.0 8.2 17.3 31.5 218 430 A L H >< S+ 0 0 13 -4,-1.8 3,-1.2 1,-0.2 7,-0.6 0.916 107.8 51.2 -59.1 -48.2 6.9 20.4 29.6 219 431 A S H 3< S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.593 102.5 59.8 -70.4 -12.2 10.3 21.4 28.3 220 432 A F T << S+ 0 0 141 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.555 92.3 75.4 -91.0 -9.5 11.0 17.9 26.9 221 433 A Q X> - 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