==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEAR RECEPTOR 27-JUL-99 1QKN . COMPND 2 MOLECULE: ESTROGEN RECEPTOR BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.C.W.PIKE,A.M.BRZOZOWSKI,M.CARLQUIST . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 217 A T 0 0 194 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 55.4 10.1 62.5 -1.6 2 218 A L - 0 0 105 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.295 360.0 -87.3 -87.7 171.5 7.1 60.1 -1.7 3 219 A S > - 0 0 47 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.446 27.7-115.0 -83.1 155.5 4.5 59.5 1.0 4 220 A P H > S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.849 118.7 54.3 -53.1 -36.9 4.7 57.0 3.9 5 221 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.878 106.5 52.3 -73.8 -35.2 1.7 55.2 2.4 6 222 A Q H > S+ 0 0 79 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.981 111.6 45.9 -60.6 -49.7 3.7 54.9 -0.8 7 223 A L H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.861 114.1 46.8 -55.9 -42.4 6.7 53.4 1.0 8 224 A V H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.795 111.5 52.7 -73.1 -32.4 4.6 51.0 3.1 9 225 A L H X S+ 0 0 89 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.963 109.6 48.7 -69.9 -46.4 2.7 49.9 -0.1 10 226 A T H X S+ 0 0 35 -4,-3.4 4,-1.8 -5,-0.2 -2,-0.2 0.935 110.3 52.5 -57.4 -38.5 6.0 49.2 -1.8 11 227 A L H X S+ 0 0 4 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.971 108.8 48.4 -60.3 -47.5 7.1 47.2 1.2 12 228 A L H >< S+ 0 0 86 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.977 113.7 47.6 -58.1 -48.0 4.0 45.0 1.2 13 229 A E H 3< S+ 0 0 146 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.778 107.6 57.2 -63.6 -28.3 4.4 44.4 -2.5 14 230 A A H 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.659 75.4 125.8 -80.3 -11.8 8.1 43.6 -2.1 15 231 A E << - 0 0 54 -3,-1.3 3,-0.1 -4,-1.0 -3,-0.0 -0.205 63.9-119.6 -51.0 121.1 7.5 40.7 0.4 16 232 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.171 34.2 -90.7 -54.1 155.9 9.2 37.5 -0.7 17 233 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 30,-0.1 -0.411 49.2-100.1 -69.4 139.4 7.1 34.4 -1.5 18 234 A N - 0 0 136 -3,-0.1 2,-0.7 1,-0.1 78,-0.1 -0.541 40.2-129.7 -64.2 122.9 6.7 32.2 1.6 19 235 A V - 0 0 19 -2,-0.3 2,-0.5 -3,-0.0 -1,-0.1 -0.700 18.3-149.0 -83.9 113.7 9.3 29.4 1.1 20 236 A L + 0 0 124 -2,-0.7 2,-0.3 76,-0.1 76,-0.1 -0.703 27.2 158.0 -89.1 125.7 7.8 25.9 1.5 21 237 A V - 0 0 27 -2,-0.5 77,-0.7 0, 0.0 2,-0.3 -0.921 25.9-142.5-138.4 154.6 10.0 23.2 2.9 22 238 A S B -a 98 0A 84 -2,-0.3 77,-0.2 75,-0.1 76,-0.0 -0.874 27.0 -96.7-120.8 156.7 8.9 20.0 4.6 23 239 A R - 0 0 134 75,-0.6 10,-0.1 -2,-0.3 76,-0.1 -0.486 36.5-117.0 -69.5 147.9 10.3 18.0 7.4 24 240 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.623 37.6-138.6 -57.8 -16.6 12.5 15.2 6.2 25 241 A S S S+ 0 0 68 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.504 83.1 85.4 66.8 8.6 9.8 13.0 8.0 26 242 A M S S- 0 0 144 6,-0.0 6,-0.1 2,-0.0 -1,-0.1 -0.803 89.1-123.6-137.9 84.5 12.6 10.8 9.3 27 243 A P + 0 0 132 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.090 35.6 176.7 -34.1 132.4 13.8 12.4 12.5 28 244 A F - 0 0 38 1,-0.2 80,-0.1 2,-0.0 -2,-0.0 -0.910 23.5-138.1-138.9 164.3 17.5 13.2 12.8 29 245 A T S > S- 0 0 56 -2,-0.3 4,-0.6 79,-0.1 5,-0.2 0.813 81.1 -20.9 -86.4-101.9 19.8 14.9 15.3 30 246 A E H > S+ 0 0 92 3,-0.1 4,-1.0 2,-0.1 5,-0.3 0.829 132.5 60.5 -82.4 -35.7 22.5 17.2 14.1 31 247 A A H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.1 5,-0.1 0.974 113.2 22.9 -58.6 -71.0 22.6 15.9 10.6 32 248 A S H > S+ 0 0 32 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.780 115.8 61.4 -75.8 -29.9 19.1 16.3 9.1 33 249 A M H X S+ 0 0 25 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.983 113.7 36.1 -59.7 -56.2 17.8 19.2 11.2 34 250 A M H X S+ 0 0 22 -4,-1.0 4,-3.5 -5,-0.2 -1,-0.2 0.823 112.5 60.9 -62.8 -35.9 20.5 21.6 10.1 35 251 A M H X S+ 0 0 139 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.936 109.3 41.3 -57.6 -49.3 20.5 20.1 6.6 36 252 A S H X S+ 0 0 22 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.969 115.1 52.4 -64.0 -48.3 16.9 21.2 6.1 37 253 A L H X S+ 0 0 27 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.898 107.8 51.5 -54.2 -45.3 17.6 24.5 7.8 38 254 A T H X S+ 0 0 83 -4,-3.5 4,-2.1 1,-0.2 -1,-0.3 0.863 110.9 47.6 -63.6 -36.7 20.5 25.2 5.5 39 255 A K H X S+ 0 0 43 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.842 111.3 51.5 -73.4 -33.6 18.3 24.5 2.4 40 256 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 3,-0.3 0.967 110.7 46.8 -64.8 -51.7 15.6 26.7 3.7 41 257 A A H X S+ 0 0 22 -4,-2.6 4,-3.2 1,-0.3 5,-0.2 0.907 109.7 54.1 -55.0 -49.8 18.0 29.6 4.4 42 258 A D H X S+ 0 0 85 -4,-2.1 4,-1.2 2,-0.2 -1,-0.3 0.863 109.7 46.8 -57.9 -39.1 19.6 29.3 1.0 43 259 A K H X S+ 0 0 106 -4,-1.7 4,-1.7 -3,-0.3 3,-0.4 0.938 114.1 48.5 -66.6 -44.6 16.2 29.5 -0.8 44 260 A E H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.892 106.4 56.4 -60.9 -39.1 15.3 32.5 1.4 45 261 A L H X S+ 0 0 40 -4,-3.2 4,-1.3 2,-0.2 -1,-0.2 0.847 102.3 56.4 -64.5 -32.6 18.6 34.3 0.7 46 262 A V H >X S+ 0 0 105 -4,-1.2 4,-1.0 -3,-0.4 3,-0.8 0.991 112.8 40.6 -64.0 -52.6 17.9 34.1 -3.0 47 263 A H H 3X S+ 0 0 66 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.794 105.4 68.9 -64.7 -24.2 14.6 35.9 -2.5 48 264 A M H 3X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.860 98.3 48.8 -64.9 -32.1 16.2 38.3 0.1 49 265 A I H X S+ 0 0 7 -4,-2.7 3,-1.5 1,-0.2 4,-0.5 0.944 108.7 55.0 -67.0 -41.9 13.4 42.0 -1.9 52 268 A A H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 6,-0.2 0.922 101.4 59.1 -58.6 -39.5 16.3 44.3 -0.9 53 269 A K H 3< S+ 0 0 50 -4,-1.9 6,-0.4 1,-0.3 -1,-0.3 0.761 102.9 53.4 -60.8 -19.9 16.4 45.7 -4.4 54 270 A K H << S+ 0 0 119 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.511 78.5 110.4 -93.8 -5.1 12.8 46.9 -4.0 55 271 A I S X< S- 0 0 2 -3,-1.8 3,-2.5 -4,-0.5 4,-0.4 -0.572 86.9 -98.4 -73.0 128.4 13.4 48.8 -0.7 56 272 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 116,-0.1 -0.142 104.7 6.1 -50.8 130.8 13.0 52.5 -1.6 57 273 A G T > S+ 0 0 18 -4,-0.1 3,-1.5 -3,-0.1 4,-0.2 0.074 97.3 109.1 81.3 -20.1 16.4 54.1 -2.1 58 274 A F G X S+ 0 0 0 -3,-2.5 3,-1.3 1,-0.3 8,-0.1 0.883 79.7 46.9 -55.4 -42.9 18.4 50.8 -1.8 59 275 A V G 3 S+ 0 0 75 -4,-0.4 -1,-0.3 -6,-0.4 -6,-0.1 0.574 102.2 65.5 -76.7 -6.1 19.3 50.6 -5.5 60 276 A E G < S+ 0 0 138 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.353 86.8 90.0 -92.8 3.8 20.4 54.3 -5.4 61 277 A L S < S- 0 0 10 -3,-1.3 100,-0.0 -4,-0.2 -4,-0.0 -0.684 96.3 -93.7 -86.2 156.5 23.2 53.2 -3.0 62 278 A S > - 0 0 63 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.292 34.5-114.0 -65.0 158.1 26.5 52.3 -4.6 63 279 A L H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.854 117.9 60.4 -64.0 -31.0 26.9 48.5 -5.2 64 280 A L H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 108.2 43.5 -64.9 -42.7 29.7 48.5 -2.6 65 281 A D H > S+ 0 0 10 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.983 113.6 51.4 -67.1 -47.6 27.2 49.8 0.0 66 282 A Q H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.927 110.9 47.7 -51.9 -49.8 24.4 47.3 -1.2 67 283 A V H X S+ 0 0 28 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.979 113.3 47.7 -61.4 -51.7 26.8 44.4 -0.9 68 284 A R H X S+ 0 0 19 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.892 109.5 52.7 -60.3 -37.0 28.0 45.3 2.6 69 285 A L H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 3,-0.2 0.963 113.2 43.3 -60.9 -50.0 24.5 45.9 3.9 70 286 A L H X S+ 0 0 8 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.932 109.1 57.5 -62.2 -41.7 23.3 42.5 2.8 71 287 A E H < S+ 0 0 96 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.864 114.6 38.4 -60.2 -34.1 26.5 40.7 4.0 72 288 A S H < S+ 0 0 43 -4,-1.9 -1,-0.2 -3,-0.2 4,-0.2 0.707 122.0 36.8 -94.4 -14.0 26.0 42.0 7.6 73 289 A C H X S+ 0 0 0 -4,-1.9 4,-3.0 -3,-0.2 5,-0.2 0.511 80.2 100.9-114.9 3.8 22.1 41.8 8.1 74 290 A W H X S+ 0 0 68 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.886 87.7 45.6 -54.1 -47.3 21.0 38.6 6.2 75 291 A M H > S+ 0 0 22 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.933 112.7 50.4 -65.0 -41.1 20.8 36.5 9.4 76 292 A E H > S+ 0 0 5 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.959 112.0 49.2 -56.5 -43.9 18.9 39.3 11.3 77 293 A V H X S+ 0 0 10 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.974 112.6 46.6 -63.0 -47.0 16.5 39.5 8.2 78 294 A L H X S+ 0 0 21 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.942 114.0 49.8 -57.3 -47.6 16.1 35.7 8.3 79 295 A M H X S+ 0 0 13 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.860 107.5 50.9 -61.8 -42.1 15.5 35.8 12.1 80 296 A V H X S+ 0 0 4 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.908 110.0 50.8 -68.8 -33.6 13.0 38.6 12.1 81 297 A G H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.0 49.3 -67.2 -37.1 10.9 36.7 9.4 82 298 A L H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 12,-0.4 0.955 110.9 50.9 -62.4 -44.4 11.0 33.5 11.5 83 299 A M H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.937 110.8 47.0 -58.9 -48.8 9.9 35.6 14.5 84 300 A W H < S+ 0 0 61 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.867 112.1 50.6 -60.7 -38.6 7.0 37.1 12.6 85 301 A R H < S+ 0 0 71 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.914 116.6 41.6 -66.7 -38.4 6.0 33.6 11.3 86 302 A S H >< S+ 0 0 0 -4,-2.6 3,-2.5 1,-0.2 6,-0.2 0.508 84.4 102.8 -84.0 -10.3 6.1 32.2 14.9 87 303 A I T 3< S+ 0 0 8 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.812 83.1 43.4 -45.1 -45.5 4.5 35.1 16.6 88 304 A D T 3 S+ 0 0 127 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.199 104.8 73.8 -92.9 19.6 1.0 33.5 17.1 89 305 A H S X S- 0 0 79 -3,-2.5 3,-2.5 3,-0.2 -1,-0.2 -0.602 72.3-153.8-134.8 74.6 2.5 30.1 18.2 90 306 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.133 79.9 15.6 -47.4 137.6 4.0 30.1 21.7 91 307 A G T 3 S+ 0 0 35 1,-0.1 12,-1.9 29,-0.1 2,-0.3 0.289 109.3 87.8 79.2 -9.4 6.7 27.6 22.1 92 308 A K E < -B 102 0B 62 -3,-2.5 2,-0.6 -6,-0.2 10,-0.2 -0.898 62.9-141.8-124.8 157.8 7.4 26.8 18.4 93 309 A L E -B 101 0B 1 8,-2.7 8,-2.1 -2,-0.3 2,-1.5 -0.952 15.8-154.6-113.4 107.2 9.6 28.2 15.7 94 310 A I E +B 100 0B 17 -2,-0.6 6,-0.2 -12,-0.4 -9,-0.1 -0.690 23.5 167.5 -84.8 85.3 7.7 28.2 12.4 95 311 A F E S- 0 0 27 -2,-1.5 -1,-0.2 4,-1.3 5,-0.2 0.740 75.9 -12.4 -68.6 -23.5 10.7 28.0 10.0 96 312 A A E > S-B 99 0B 1 3,-1.1 3,-1.8 -3,-0.1 -1,-0.3 -0.901 81.5 -96.2-169.7 152.1 8.2 27.2 7.1 97 313 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 -77,-0.1 0.762 128.0 38.1 -53.0 -28.3 4.6 26.1 7.2 98 314 A D B 3 S+a 22 0A 46 -77,-0.7 -75,-0.6 1,-0.2 -4,-0.0 -0.370 110.2 65.7-118.9 49.1 5.6 22.5 7.0 99 315 A L E < +B 96 0B 8 -3,-1.8 -4,-1.3 -77,-0.2 -3,-1.1 -0.459 59.9 159.8-168.3 77.2 8.6 22.8 9.2 100 316 A V E -B 94 0B 29 -6,-0.2 2,-0.4 -5,-0.2 -6,-0.2 -0.908 19.0-165.4-113.4 104.4 7.5 23.7 12.7 101 317 A L E -B 93 0B 8 -8,-2.1 -8,-2.7 -2,-0.6 2,-0.1 -0.785 11.3-139.1 -96.9 130.9 9.9 22.9 15.4 102 318 A D E > -B 92 0B 74 -2,-0.4 3,-1.7 -10,-0.2 4,-0.3 -0.436 31.3-103.0 -82.1 159.7 9.0 22.8 19.1 103 319 A R G > S+ 0 0 89 -12,-1.9 3,-1.4 1,-0.3 13,-0.1 0.900 118.3 50.7 -46.9 -53.2 11.3 24.3 21.7 104 320 A D G > S+ 0 0 82 1,-0.2 3,-1.1 2,-0.1 -1,-0.3 0.584 91.9 75.6 -67.8 -8.3 12.7 21.0 23.0 105 321 A E G X S+ 0 0 80 -3,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.540 79.0 76.1 -80.5 -2.7 13.6 19.7 19.5 106 322 A G G < S+ 0 0 0 -3,-1.4 6,-0.8 -4,-0.3 3,-0.4 0.459 72.7 81.3 -83.3 -2.6 16.6 22.1 19.5 107 323 A K G < S+ 0 0 153 -3,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.674 78.7 71.1 -75.8 -18.1 18.3 19.7 21.9 108 324 A C S < S+ 0 0 47 -3,-0.9 -1,-0.2 -79,-0.1 -2,-0.2 0.861 92.0 62.1 -69.0 -37.2 19.3 17.7 18.8 109 325 A V S > S- 0 0 7 -3,-0.4 2,-2.1 -4,-0.2 3,-0.7 -0.419 106.4 -79.3 -90.8 166.3 21.8 20.2 17.5 110 326 A E T 3 S- 0 0 48 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 -0.316 99.7 -39.2 -65.5 74.9 25.0 21.4 19.2 111 327 A G T 3 S+ 0 0 48 -2,-2.1 -1,-0.3 -5,-0.2 4,-0.2 0.970 93.6 133.7 71.3 56.8 23.8 23.9 21.8 112 328 A I <> + 0 0 13 -6,-0.8 4,-2.6 -3,-0.7 -5,-0.1 0.423 49.5 83.6-112.5 -5.1 21.1 25.6 19.7 113 329 A L H > S+ 0 0 47 -7,-0.3 4,-1.6 -4,-0.3 -6,-0.1 0.821 90.6 48.5 -69.9 -33.0 18.5 25.5 22.5 114 330 A E H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.859 113.7 48.0 -77.0 -31.6 19.7 28.7 24.1 115 331 A I H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 111.4 50.6 -71.4 -38.5 19.7 30.3 20.7 116 332 A F H X S+ 0 0 6 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.820 109.0 52.2 -66.1 -31.5 16.2 28.9 20.1 117 333 A D H X S+ 0 0 53 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.828 105.9 52.6 -73.6 -35.9 15.2 30.4 23.5 118 334 A M H X S+ 0 0 51 -4,-1.6 4,-3.4 1,-0.2 5,-0.3 0.966 112.0 47.6 -59.6 -47.0 16.5 33.8 22.5 119 335 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.871 112.4 48.3 -62.6 -37.7 14.4 33.6 19.3 120 336 A L H X S+ 0 0 19 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.857 112.1 48.6 -74.3 -37.1 11.3 32.5 21.3 121 337 A A H X S+ 0 0 39 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.985 112.4 47.5 -67.1 -47.2 11.7 35.2 23.8 122 338 A T H X S+ 0 0 8 -4,-3.4 4,-2.2 1,-0.3 5,-0.2 0.959 112.9 50.9 -56.5 -45.1 12.1 37.9 21.1 123 339 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.3 0.911 108.2 51.9 -56.5 -43.9 9.1 36.4 19.4 124 340 A S H X S+ 0 0 29 -4,-3.0 4,-3.5 2,-0.2 -1,-0.2 0.871 105.8 54.6 -62.5 -33.0 7.2 36.6 22.7 125 341 A R H X S+ 0 0 94 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.980 109.7 48.0 -62.7 -42.3 8.1 40.3 23.0 126 342 A F H <>S+ 0 0 3 -4,-2.2 5,-2.5 -5,-0.2 4,-0.5 0.896 112.9 47.6 -59.8 -43.1 6.6 40.9 19.6 127 343 A R H ><5S+ 0 0 70 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.957 110.7 51.9 -65.1 -44.7 3.5 38.9 20.5 128 344 A E H 3<5S+ 0 0 114 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.909 111.4 46.5 -58.7 -38.7 3.2 40.9 23.8 129 345 A L T 3<5S- 0 0 41 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.588 108.9-128.5 -78.8 -6.5 3.4 44.1 21.8 130 346 A K T < 5 - 0 0 164 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.974 28.9-148.7 61.0 49.6 0.9 42.7 19.4 131 347 A L < - 0 0 10 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.1 -0.316 8.0-139.1 -50.6 124.4 3.2 43.6 16.4 132 348 A Q >> - 0 0 113 -3,-0.1 4,-3.0 1,-0.1 3,-0.6 -0.630 17.6-114.5 -90.6 153.4 1.1 44.5 13.4 133 349 A H H 3> S+ 0 0 67 1,-0.3 4,-1.6 -2,-0.2 5,-0.1 0.863 116.7 50.0 -52.7 -46.8 2.0 43.3 9.8 134 350 A K H 3> S+ 0 0 83 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.793 110.9 50.0 -63.4 -37.1 2.7 46.9 8.6 135 351 A E H <> S+ 0 0 4 -3,-0.6 4,-2.8 1,-0.2 -2,-0.2 0.940 108.4 53.3 -69.5 -44.4 4.9 47.6 11.6 136 352 A Y H X S+ 0 0 7 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.853 104.7 55.6 -55.3 -39.6 6.8 44.5 11.0 137 353 A L H X S+ 0 0 4 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.914 109.5 45.4 -62.6 -42.5 7.4 45.6 7.3 138 354 A C H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.953 111.7 52.8 -67.1 -43.8 9.0 48.8 8.5 139 355 A V H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.907 109.3 48.3 -61.4 -41.8 11.1 47.0 11.1 140 356 A K H X S+ 0 0 10 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.892 111.9 48.8 -66.0 -37.4 12.5 44.6 8.6 141 357 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.889 110.0 53.4 -68.7 -35.5 13.4 47.3 6.1 142 358 A M H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.889 102.6 57.4 -66.6 -35.9 15.1 49.2 9.0 143 359 A I H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.929 110.0 45.4 -60.1 -44.7 17.2 46.1 9.8 144 360 A L H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.951 118.0 41.6 -64.9 -48.3 18.6 46.2 6.2 145 361 A L H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.723 114.2 49.8 -75.7 -22.9 19.2 49.9 6.1 146 362 A N T 3< S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.130 84.4 131.8 -97.6 15.4 20.7 50.3 9.7 147 363 A S < - 0 0 9 -3,-0.9 2,-0.4 -4,-0.2 -74,-0.1 -0.319 63.9-113.6 -62.4 148.9 23.1 47.4 9.0 148 364 A S - 0 0 66 -76,-0.1 2,-0.3 -79,-0.1 -76,-0.1 -0.697 29.2-140.3 -83.1 131.8 26.7 47.8 10.0 149 365 A M - 0 0 19 -2,-0.4 -80,-0.1 -78,-0.1 -84,-0.1 -0.751 22.1-129.7 -95.5 145.4 29.0 47.9 6.9 150 366 A Y S S+ 0 0 185 -2,-0.3 2,-0.2 -82,-0.1 -79,-0.1 -0.975 77.0 25.0-150.1 144.1 32.4 46.1 7.0 151 367 A P S S- 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.664 92.5-125.1 -68.7 172.9 35.1 46.7 6.4 152 368 A L - 0 0 130 -2,-0.2 3,-0.1 1,-0.1 -2,-0.1 -0.533 12.3-140.9 -88.6 145.0 34.9 50.5 6.8 153 369 A A - 0 0 36 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.149 52.9 -55.3 -90.6-167.0 35.9 53.1 4.3 154 370 A S > - 0 0 54 1,-0.1 4,-3.1 -2,-0.1 5,-0.3 -0.260 56.0-105.4 -67.7 166.3 37.6 56.3 5.3 155 371 A A H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.918 124.0 48.6 -57.9 -41.9 35.9 58.4 7.9 156 372 A N H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 112.2 45.9 -64.9 -45.9 34.9 60.8 5.0 157 373 A Q H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.923 113.1 51.5 -64.1 -42.1 33.6 58.1 2.6 158 374 A E H X S+ 0 0 26 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.862 104.8 56.2 -61.5 -40.9 31.7 56.5 5.5 159 375 A A H X S+ 0 0 39 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.911 106.7 49.7 -63.4 -39.2 30.1 59.8 6.4 160 376 A E H X S+ 0 0 134 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.898 112.1 47.6 -65.7 -43.2 28.8 60.2 2.9 161 377 A S H X S+ 0 0 15 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.906 112.1 50.8 -62.8 -41.7 27.3 56.6 3.0 162 378 A S H X S+ 0 0 64 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.879 105.7 54.7 -62.5 -46.5 25.8 57.4 6.5 163 379 A R H X S+ 0 0 167 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.940 112.8 43.3 -53.4 -49.9 24.1 60.6 5.3 164 380 A K H X S+ 0 0 89 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.946 115.0 47.2 -60.7 -51.1 22.4 58.7 2.5 165 381 A L H X S+ 0 0 15 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.887 110.8 54.0 -61.9 -37.9 21.4 55.7 4.7 166 382 A T H X S+ 0 0 73 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.943 105.8 52.6 -64.2 -43.7 20.2 58.1 7.3 167 383 A H H X S+ 0 0 124 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.913 112.6 45.3 -60.0 -41.2 17.9 59.8 4.7 168 384 A L H X S+ 0 0 13 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.821 110.9 51.6 -70.7 -35.3 16.5 56.4 3.8 169 385 A L H X S+ 0 0 27 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.883 106.1 56.5 -68.1 -37.3 16.0 55.3 7.4 170 386 A N H X S+ 0 0 86 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.833 104.3 51.9 -62.3 -35.5 14.1 58.6 8.1 171 387 A A H X S+ 0 0 36 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.933 111.7 47.5 -66.3 -45.5 11.6 57.8 5.3 172 388 A V H X S+ 0 0 3 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.915 111.0 50.4 -65.1 -36.6 11.1 54.4 6.9 173 389 A T H X S+ 0 0 42 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.902 108.2 53.4 -61.4 -44.7 10.7 56.0 10.4 174 390 A D H X S+ 0 0 100 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.927 111.0 46.6 -57.5 -44.3 8.1 58.4 8.9 175 391 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.911 112.7 48.3 -66.1 -40.9 6.2 55.4 7.5 176 392 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.933 110.8 51.4 -67.0 -38.5 6.4 53.5 10.8 177 393 A V H X S+ 0 0 59 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.935 112.1 48.0 -58.0 -43.5 5.2 56.7 12.7 178 394 A W H X S+ 0 0 75 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.928 110.7 49.5 -66.3 -47.3 2.3 56.9 10.3 179 395 A V H >< S+ 0 0 10 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.937 113.2 48.0 -57.9 -43.7 1.5 53.2 10.7 180 396 A I H >< S+ 0 0 2 -4,-3.3 3,-1.8 1,-0.3 5,-0.5 0.908 105.0 58.2 -65.7 -40.2 1.6 53.7 14.5 181 397 A A H >< S+ 0 0 45 -4,-2.6 3,-1.5 1,-0.3 -1,-0.3 0.764 93.0 69.7 -64.0 -20.9 -0.6 56.8 14.3 182 398 A K T << S+ 0 0 147 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.596 86.0 66.8 -71.8 -9.4 -3.4 54.8 12.6 183 399 A S T < S- 0 0 75 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.587 102.8-132.7 -83.2 -15.5 -4.1 52.8 15.8 184 400 A G < + 0 0 64 -3,-1.5 -3,-0.1 -4,-0.2 -2,-0.1 0.656 51.9 148.2 73.9 22.2 -5.3 56.0 17.4 185 401 A I - 0 0 56 -5,-0.5 -1,-0.2 1,-0.2 5,-0.1 -0.355 55.1 -80.2 -79.6 171.7 -3.4 55.7 20.7 186 402 A S > - 0 0 66 1,-0.1 4,-2.6 -2,-0.1 -1,-0.2 -0.131 37.3-105.8 -71.2 167.5 -2.2 58.8 22.4 187 403 A S H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.935 122.0 49.8 -52.0 -53.4 0.8 60.9 21.4 188 404 A Q H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 111.8 48.2 -56.5 -44.1 2.7 59.5 24.5 189 405 A Q H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 106.3 58.2 -68.7 -33.5 1.8 55.9 23.7 190 406 A Q H X S+ 0 0 50 -4,-2.6 4,-2.4 -3,-0.3 -2,-0.2 0.888 108.5 44.8 -64.9 -41.1 2.9 56.5 20.0 191 407 A S H X S+ 0 0 77 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.904 113.0 50.4 -68.7 -42.6 6.4 57.4 21.1 192 408 A V H X S+ 0 0 57 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.916 112.5 47.8 -60.7 -41.2 6.6 54.6 23.6 193 409 A R H X S+ 0 0 39 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.903 110.2 51.1 -69.6 -39.8 5.5 52.1 20.8 194 410 A L H X S+ 0 0 34 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.955 115.1 44.6 -57.7 -46.8 8.0 53.6 18.4 195 411 A A H X S+ 0 0 38 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.916 108.3 55.7 -65.5 -41.6 10.6 53.1 21.0 196 412 A N H X S+ 0 0 61 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.935 112.8 42.9 -58.9 -47.3 9.5 49.6 22.0 197 413 A L H < S+ 0 0 1 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.914 114.4 49.3 -65.8 -45.3 9.8 48.4 18.4 198 414 A L H >X S+ 0 0 60 -4,-2.6 3,-1.6 1,-0.2 4,-0.6 0.878 105.9 57.7 -62.2 -39.8 13.2 50.1 17.8 199 415 A M H >X S+ 0 0 128 -4,-2.8 3,-0.9 1,-0.3 4,-0.8 0.839 97.5 60.9 -63.5 -27.4 14.7 48.7 21.0 200 416 A L H 3X S+ 0 0 13 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.3 0.754 88.2 75.1 -72.1 -13.8 14.1 45.2 19.9 201 417 A L H <> S+ 0 0 23 -3,-1.6 4,-2.1 -4,-0.5 -1,-0.2 0.924 93.1 51.5 -61.3 -36.3 16.3 45.9 16.9 202 418 A S H < S+ 0 0 64 -4,-2.8 3,-1.2 1,-0.2 4,-0.2 0.919 112.6 51.5 -66.7 -43.6 27.0 28.4 13.1 216 432 A L H 3< S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.664 103.5 57.6 -67.9 -19.4 30.7 29.1 12.6 217 433 A S T 3< S+ 0 0 96 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.515 109.9 45.1 -88.7 -7.6 31.7 27.0 15.6 218 434 A M < 0 0 70 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.298 360.0 360.0-113.6 2.0 30.0 23.9 14.0 219 435 A K 0 0 118 -4,-0.2 -3,-0.2 -3,-0.1 -2,-0.2 0.262 360.0 360.0-158.5 360.0 31.5 24.7 10.6 220 ! 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 0.0 221 444 A D 0 0 143 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 8.9 30.4 36.3 -3.7 222 445 A L > + 0 0 67 1,-0.1 4,-1.9 2,-0.1 5,-0.2 0.081 360.0 111.0-117.4 15.5 27.7 36.1 -6.4 223 446 A L H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.921 77.3 49.1 -55.4 -48.3 25.7 38.9 -4.6 224 447 A L H > S+ 0 0 39 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.835 106.2 56.8 -63.4 -35.4 26.5 41.3 -7.5 225 448 A E H > S+ 0 0 72 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.900 115.4 36.8 -64.1 -41.2 25.4 38.7 -10.1 226 449 A M H < S+ 0 0 45 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.774 118.0 54.8 -81.5 -26.7 22.0 38.5 -8.4 227 450 A L H < S+ 0 0 10 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.911 109.8 41.4 -74.0 -47.0 22.0 42.2 -7.6 228 451 A N H < 0 0 120 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 360.0 360.0 -74.7 -25.8 22.6 43.6 -11.1 229 452 A A < 0 0 114 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.890 360.0 360.0 -51.9 360.0 20.2 41.2 -12.8