==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE ACTIVATOR 01-APR-09 3GWS . COMPND 2 MOLECULE: THYROID HORMONE RECEPTOR BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.S.NASCIMENTO,S.M.G.DIAS,F.M.NUNES,R.APARICIO,I.POLIKARPOV, . 246 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 . 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 2 1 0 1 0 0 1 2 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 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 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 1 202 X E > 0 0 104 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -58.9 -3.0 40.2 -3.3 2 203 X E H > + 0 0 170 1,-0.2 4,-1.4 2,-0.2 0, 0.0 0.842 360.0 48.4 -56.1 -35.7 -6.3 38.5 -4.3 3 204 X L H > S+ 0 0 134 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 109.6 51.7 -70.6 -42.8 -5.5 39.6 -7.9 4 205 X Q H >>S+ 0 0 84 1,-0.2 5,-1.9 2,-0.2 4,-0.8 0.884 109.4 49.2 -62.4 -42.3 -2.0 38.3 -7.7 5 206 X K H <5S+ 0 0 50 -4,-2.6 3,-0.4 3,-0.2 -1,-0.2 0.861 105.8 59.5 -66.4 -36.5 -3.1 34.9 -6.4 6 207 X S H <5S+ 0 0 101 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.944 101.5 51.7 -55.1 -52.4 -5.7 34.8 -9.2 7 208 X I H <5S- 0 0 122 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.761 124.4-109.9 -58.0 -24.1 -3.0 35.0 -11.9 8 209 X G T <5S+ 0 0 52 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.2 0.529 70.1 141.9 105.7 9.3 -1.4 32.1 -10.0 9 210 X H < - 0 0 113 -5,-1.9 -1,-0.3 1,-0.0 -2,-0.1 -0.615 46.0-140.9 -80.6 142.1 1.6 33.9 -8.5 10 211 X K - 0 0 123 -2,-0.3 -5,-0.1 186,-0.1 -1,-0.0 -0.847 23.9-136.9-105.9 96.8 2.6 32.8 -5.0 11 212 X P - 0 0 11 0, 0.0 185,-0.3 0, 0.0 186,-0.2 -0.215 14.3-149.5 -59.5 133.7 3.6 36.1 -3.2 12 213 X E - 0 0 91 1,-0.2 182,-0.2 184,-0.1 181,-0.1 -0.578 40.2 -63.6 -98.9 167.5 6.7 36.0 -1.1 13 214 X P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.113 47.3-130.1 -56.4 141.6 7.3 38.1 2.0 14 215 X T > - 0 0 70 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.336 33.3-101.3 -74.2 169.2 7.5 41.9 1.7 15 216 X D H > S+ 0 0 138 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.856 127.7 54.3 -60.1 -33.9 10.5 43.7 3.3 16 217 X E H > S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 109.2 46.4 -64.8 -44.0 8.0 44.6 6.1 17 218 X E H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.797 105.9 59.1 -71.8 -29.6 7.1 40.9 6.6 18 219 X W H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.861 105.3 50.8 -66.1 -34.8 10.8 39.8 6.5 19 220 X E H X S+ 0 0 142 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.959 112.1 45.6 -63.7 -50.9 11.3 42.1 9.5 20 221 X L H X S+ 0 0 29 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.892 113.1 51.9 -56.6 -41.7 8.4 40.6 11.3 21 222 X I H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.876 109.6 47.8 -64.6 -41.2 9.7 37.1 10.3 22 223 X K H X S+ 0 0 122 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.917 112.2 50.6 -65.6 -44.1 13.1 37.8 11.7 23 224 X T H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.943 114.3 42.0 -58.7 -52.4 11.7 39.2 15.0 24 225 X V H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.895 113.9 52.4 -65.3 -41.5 9.4 36.2 15.6 25 226 X T H X S+ 0 0 22 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.940 111.3 45.8 -60.4 -48.4 12.1 33.6 14.5 26 227 X E H X S+ 0 0 107 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.893 108.5 56.8 -63.2 -40.3 14.7 35.1 16.9 27 228 X A H X S+ 0 0 2 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.877 112.8 42.3 -56.2 -38.6 12.1 35.2 19.7 28 229 X H H < S+ 0 0 2 -4,-1.7 3,-0.3 -3,-0.2 4,-0.3 0.924 112.8 50.4 -76.4 -46.3 11.6 31.5 19.2 29 230 X V H >< S+ 0 0 65 -4,-2.7 3,-0.8 1,-0.2 6,-0.2 0.881 110.1 51.1 -61.2 -39.6 15.2 30.4 18.8 30 231 X A H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 117.8 38.4 -68.2 -29.9 16.2 32.3 21.9 31 232 X T T 3< S+ 0 0 8 -4,-0.8 2,-0.8 -3,-0.3 -1,-0.2 0.179 87.8 108.4-109.6 14.9 13.5 30.6 24.0 32 233 X N S X S- 0 0 17 -3,-0.8 3,-1.9 -4,-0.3 -4,-0.0 -0.847 77.8-116.9 -94.5 109.1 13.7 27.2 22.5 33 234 X A T 3 S+ 0 0 17 -2,-0.8 5,-0.1 1,-0.3 -2,-0.1 -0.122 90.5 1.5 -51.0 130.3 15.3 24.9 25.1 34 235 X Q T > S- 0 0 93 2,-0.1 3,-1.4 3,-0.1 -1,-0.3 0.665 94.8-133.6 68.0 18.1 18.7 23.4 24.1 35 236 X G T < - 0 0 36 -3,-1.9 3,-0.2 1,-0.2 -5,-0.0 -0.042 66.0 -26.5 44.1-119.8 18.7 25.2 20.7 36 237 X S T 3 S+ 0 0 116 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.391 127.6 72.3-109.6 -1.0 19.6 22.9 17.8 37 238 X H <> + 0 0 51 -3,-1.4 4,-1.3 1,-0.2 3,-0.3 -0.021 59.9 123.2-102.4 29.7 21.7 20.4 19.7 38 239 X W H > + 0 0 44 -3,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.819 62.9 59.3 -65.7 -34.7 18.7 18.8 21.4 39 240 X K H >4 S+ 0 0 75 -3,-0.3 3,-0.7 1,-0.2 -1,-0.2 0.902 108.4 43.5 -64.6 -42.9 19.2 15.2 20.3 40 241 X Q H 34 S+ 0 0 164 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.0 50.4 -68.0 -34.9 22.6 14.8 21.8 41 242 X K H 3< S+ 0 0 48 -4,-1.3 2,-0.3 -7,-0.1 -1,-0.2 0.429 88.7 103.9 -88.4 0.2 21.6 16.5 25.1 42 243 X R << - 0 0 35 -3,-0.7 2,-0.4 -4,-0.6 80,-0.2 -0.623 54.0-156.3 -88.8 141.9 18.4 14.4 25.6 43 244 X K E -a 122 0A 67 78,-3.5 80,-2.2 -2,-0.3 2,-0.4 -0.971 20.5-122.5-117.6 130.0 18.2 11.6 28.2 44 245 X F E -a 123 0A 116 -2,-0.4 80,-0.2 78,-0.2 3,-0.1 -0.551 27.1-118.0 -75.1 123.7 15.7 8.8 27.9 45 246 X L - 0 0 17 78,-2.5 80,-0.1 -2,-0.4 -1,-0.1 -0.414 46.2 -91.0 -59.9 128.0 13.3 8.4 30.8 46 247 X P > - 0 0 61 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.119 30.8-125.0 -46.8 129.3 13.9 5.0 32.4 47 248 X E T 3 S+ 0 0 101 1,-0.3 -2,-0.1 -3,-0.1 78,-0.0 0.727 108.7 59.9 -49.9 -26.1 11.5 2.4 30.8 48 249 X D T 3 S+ 0 0 121 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.816 82.2 91.3 -76.8 -31.3 10.3 1.6 34.3 49 250 X I < 0 0 12 -3,-1.8 83,-0.1 1,-0.3 4,-0.0 -0.538 360.0 360.0 -70.7 117.6 9.0 5.0 35.2 50 251 X G 0 0 23 -2,-0.5 81,-0.3 81,-0.1 -1,-0.3 0.808 360.0 360.0 71.2 360.0 5.4 5.4 34.2 51 ! 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 52 264 X V 0 0 64 0, 0.0 2,-0.4 0, 0.0 80,-0.2 0.000 360.0 360.0 360.0 116.1 -2.1 8.7 37.4 53 265 X D > - 0 0 54 78,-2.5 4,-2.4 1,-0.1 5,-0.3 -0.470 360.0-146.4 -66.2 116.7 1.4 7.3 37.9 54 266 X L H > S+ 0 0 78 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.909 90.9 38.6 -51.0 -58.3 2.9 9.1 40.9 55 267 X E H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 114.4 52.6 -70.0 -39.6 6.6 9.2 39.9 56 268 X A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.947 111.0 48.5 -56.8 -49.2 6.1 9.9 36.2 57 269 X F H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.862 109.5 54.9 -57.2 -37.5 3.8 12.8 37.1 58 270 X S H X S+ 0 0 63 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.916 107.1 48.0 -64.1 -46.3 6.6 14.0 39.5 59 271 X H H X S+ 0 0 63 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.930 114.4 46.1 -60.5 -46.9 9.2 14.0 36.8 60 272 X F H >< S+ 0 0 21 -4,-2.2 3,-1.2 1,-0.2 4,-0.4 0.930 113.3 47.8 -62.8 -46.7 7.1 16.0 34.3 61 273 X T H 3< S+ 0 0 14 -4,-2.4 4,-0.5 1,-0.3 3,-0.3 0.713 102.1 64.2 -72.8 -20.0 5.8 18.6 36.9 62 274 X K H 3< S+ 0 0 75 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.653 112.8 34.5 -75.9 -15.5 9.4 19.2 38.2 63 275 X I S S+ 0 0 29 -4,-0.4 4,-2.6 -3,-0.3 5,-0.2 0.783 78.0 67.1 -79.2 -26.3 7.2 22.3 33.6 65 277 X T H > S+ 0 0 49 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.956 103.9 43.1 -59.0 -51.3 8.0 25.6 35.4 66 278 X P H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.928 112.6 53.8 -58.7 -46.2 10.9 26.3 33.0 67 279 X A H X S+ 0 0 9 -4,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.902 110.6 47.5 -54.4 -44.6 8.9 25.2 30.0 68 280 X I H >X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 3,-0.9 0.941 109.6 49.9 -64.4 -49.0 6.1 27.6 30.9 69 281 X T H 3X S+ 0 0 52 -4,-2.4 4,-2.7 1,-0.3 -1,-0.2 0.815 104.8 60.1 -64.5 -27.2 8.3 30.7 31.6 70 282 X R H 3X S+ 0 0 36 -4,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.821 102.9 51.9 -68.8 -29.9 10.0 30.1 28.2 71 283 X V H < S+ 0 0 0 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.938 110.7 45.9 -62.8 -47.1 8.8 34.0 23.7 75 287 X A H >< S+ 0 0 1 -4,-2.0 3,-2.2 1,-0.2 6,-0.3 0.886 104.6 61.5 -63.6 -41.2 5.8 36.3 23.9 76 288 X K H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.758 97.8 60.0 -57.7 -25.4 7.7 39.1 25.7 77 289 X K T << S+ 0 0 103 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.302 85.8 88.3 -90.0 9.9 10.0 39.3 22.6 78 290 X L X> - 0 0 3 -3,-2.2 4,-1.5 1,-0.1 3,-1.3 -0.905 65.8-155.7-111.0 104.5 7.0 40.2 20.3 79 291 X P H 3> S+ 0 0 82 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.789 95.0 58.5 -47.6 -35.6 6.4 44.0 20.2 80 292 X M H >4 S+ 0 0 38 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.912 104.3 50.6 -61.4 -43.3 2.8 43.4 19.3 81 293 X F H X4 S+ 0 0 4 -3,-1.3 3,-1.0 -6,-0.3 -1,-0.2 0.854 106.5 56.2 -60.8 -35.1 2.3 41.4 22.5 82 294 X X H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.682 97.3 62.5 -73.2 -19.5 3.9 44.3 24.4 83 295 X E T << S+ 0 0 138 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.620 87.8 93.6 -80.7 -13.1 1.3 46.8 23.1 84 296 X L S < S- 0 0 8 -3,-1.0 -3,-0.0 -4,-0.5 2,-0.0 -0.467 84.5-101.7 -82.8 151.4 -1.5 44.8 24.7 85 297 X P > - 0 0 46 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.289 35.1-106.0 -68.3 157.1 -2.9 45.6 28.2 86 298 X C H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 117.5 53.1 -52.1 -47.0 -2.0 43.5 31.2 87 299 X E H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 112.2 44.4 -60.0 -42.7 -5.3 41.7 31.4 88 300 X D H > S+ 0 0 1 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.879 109.4 56.4 -69.2 -40.0 -5.2 40.6 27.8 89 301 X Q H X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 109.5 46.3 -56.2 -46.7 -1.5 39.6 28.0 90 302 X I H X S+ 0 0 87 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.913 113.0 49.6 -61.6 -44.6 -2.4 37.2 30.9 91 303 X I H X S+ 0 0 42 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.896 111.3 47.9 -65.5 -41.6 -5.4 35.8 29.0 92 304 X L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.912 113.1 49.2 -65.0 -42.1 -3.4 35.2 25.8 93 305 X L H X S+ 0 0 28 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.926 111.5 47.0 -63.8 -46.9 -0.6 33.5 27.7 94 306 X K H < S+ 0 0 68 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.862 114.1 51.3 -62.4 -34.4 -2.9 31.2 29.7 95 307 X G H < S+ 0 0 25 -4,-1.8 4,-0.3 -5,-0.2 -2,-0.2 0.880 119.2 30.3 -71.3 -41.3 -4.7 30.3 26.5 96 308 X C H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.1 5,-0.3 0.529 91.3 97.3 -98.2 -8.4 -1.8 29.4 24.3 97 309 X C H X S+ 0 0 3 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.912 92.5 34.9 -51.6 -56.3 0.6 28.0 26.9 98 310 X M H > S+ 0 0 17 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.869 115.6 58.1 -66.6 -37.1 -0.2 24.3 26.5 99 311 X E H > S+ 0 0 5 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.917 112.2 39.6 -57.7 -45.2 -0.8 24.8 22.7 100 312 X I H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.899 114.4 51.8 -75.3 -40.9 2.8 26.1 22.3 101 313 X M H X S+ 0 0 25 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.891 110.7 50.7 -61.4 -38.7 4.4 23.7 24.7 102 314 X S H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.911 109.0 50.3 -65.7 -44.2 2.7 20.8 22.8 103 315 X L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.954 109.5 51.2 -55.3 -51.5 4.0 22.1 19.5 104 316 X R H < S+ 0 0 12 -4,-2.6 4,-0.2 1,-0.2 -1,-0.2 0.820 114.2 43.9 -60.6 -32.7 7.5 22.4 20.9 105 317 X A H >< S+ 0 0 9 -4,-1.7 3,-1.0 -5,-0.2 12,-0.6 0.906 113.1 52.3 -74.8 -43.2 7.3 18.8 22.1 106 318 X A H >< S+ 0 0 1 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.897 103.2 55.4 -60.9 -44.7 5.7 17.5 18.9 107 319 X V T 3< S+ 0 0 53 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.1 0.627 103.4 59.2 -67.6 -10.4 8.3 19.0 16.5 108 320 X R T < S+ 0 0 10 -3,-1.0 -1,-0.3 -5,-0.2 2,-0.2 0.023 74.4 135.2-108.1 26.5 10.9 17.1 18.5 109 321 X Y < - 0 0 30 -3,-1.6 7,-0.2 7,-0.2 -3,-0.0 -0.551 41.4-155.1 -70.4 137.8 9.4 13.7 17.8 110 322 X D B >> -C 115 0B 16 5,-2.5 4,-2.1 -2,-0.2 5,-1.2 -0.952 12.2-162.9-122.7 111.3 12.0 11.1 16.8 111 323 X P T 45S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.842 89.1 63.5 -59.4 -35.3 10.8 8.1 14.7 112 324 X E T 45S+ 0 0 89 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.963 122.9 16.6 -52.6 -59.0 14.0 6.2 15.6 113 325 X S T 45S- 0 0 38 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.539 98.3-131.2 -92.4 -8.9 13.2 6.0 19.3 114 326 X E T <5 + 0 0 130 -4,-2.1 12,-0.5 1,-0.2 2,-0.3 0.910 64.7 129.2 54.4 44.1 9.5 6.9 18.9 115 327 X T B < -C 110 0B 4 -5,-1.2 -5,-2.5 10,-0.1 2,-0.3 -0.857 54.4-138.9-124.0 160.4 10.0 9.5 21.7 116 328 X L E -B 124 0A 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.6 -0.848 22.4-131.5-107.0 154.1 9.2 13.2 22.2 117 329 X T E -B 123 0A 1 -12,-0.6 3,-0.5 -2,-0.3 2,-0.4 -0.936 14.9-156.0-112.5 118.4 11.7 15.5 23.9 118 330 X L E >> S-B 122 0A 29 4,-3.1 4,-2.3 -2,-0.6 3,-1.9 -0.775 80.6 -7.4 -92.5 131.3 10.4 17.7 26.7 119 331 X N T 34 S- 0 0 28 -2,-0.4 -1,-0.2 1,-0.3 -14,-0.0 0.717 117.0 -80.8 54.5 22.0 12.5 20.9 27.4 120 332 X G T 34 S+ 0 0 0 -3,-0.5 -1,-0.3 2,-0.2 -79,-0.1 0.518 128.7 68.3 67.7 5.4 15.0 19.5 25.0 121 333 X E T <4 S+ 0 0 85 -3,-1.9 -78,-3.5 1,-0.2 2,-0.6 0.658 81.3 66.0-126.2 -28.8 16.4 17.2 27.7 122 334 X M E < -aB 43 118A 24 -4,-2.3 -4,-3.1 -80,-0.2 2,-0.6 -0.883 60.3-161.2-109.3 113.9 13.8 14.5 28.6 123 335 X A E +aB 44 117A 1 -80,-2.2 -78,-2.5 -2,-0.6 2,-0.3 -0.814 18.4 176.5 -95.7 121.6 12.9 11.9 26.0 124 336 X V E - B 0 116A 0 -8,-2.5 -8,-2.3 -2,-0.6 2,-0.1 -0.906 23.4-129.5-127.3 151.1 9.6 10.1 26.7 125 337 X T > - 0 0 57 -2,-0.3 4,-2.2 -10,-0.2 5,-0.3 -0.426 35.6-102.1 -89.1 170.0 7.5 7.5 25.0 126 338 X R H > S+ 0 0 75 -12,-0.5 4,-2.3 1,-0.2 5,-0.2 0.925 122.5 50.1 -54.6 -48.6 3.7 7.7 24.3 127 339 X G H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 109.9 49.9 -60.5 -41.4 3.0 5.4 27.3 128 340 X Q H > S+ 0 0 8 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.950 113.1 44.3 -65.0 -51.0 5.1 7.4 29.7 129 341 X L H <>S+ 0 0 9 -4,-2.2 5,-1.4 1,-0.2 6,-0.3 0.887 114.6 51.5 -60.3 -40.5 3.6 10.8 28.9 130 342 X K H ><>S+ 0 0 79 -4,-2.3 5,-2.1 -5,-0.3 3,-1.0 0.903 111.9 44.2 -63.7 -44.5 0.1 9.3 28.9 131 343 X N H 3<5S+ 0 0 81 -4,-2.2 -78,-2.5 -81,-0.3 -74,-0.2 0.720 101.0 69.4 -76.2 -21.7 0.5 7.6 32.4 132 344 X G T 3<5S- 0 0 3 -4,-1.5 -1,-0.2 -80,-0.2 -2,-0.2 0.363 131.6 -73.1 -80.8 5.4 2.1 10.7 33.9 133 345 X G T < 5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.1 -2,-0.1 0.095 112.7 92.7 133.7 -23.7 -1.1 12.6 33.7 134 346 X L T > < + 0 0 22 -5,-1.4 3,-2.1 1,-0.2 -4,-0.2 0.748 54.7 177.7 -76.1 -24.1 -1.8 13.5 30.1 135 347 X G T >> S+ 0 0 64 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.669 123.1 76.8 -62.4 -15.3 -5.2 10.8 25.6 137 349 X V H <> S+ 0 0 0 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.846 91.3 56.2 -63.6 -29.7 -3.5 14.2 25.3 138 350 X S H <> S+ 0 0 0 -3,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.919 105.0 50.3 -63.6 -44.8 -0.3 12.2 24.9 139 351 X D H X S+ 0 0 32 -4,-0.6 4,-2.8 1,-0.2 5,-0.2 0.908 110.3 51.1 -58.6 -43.1 -1.8 10.3 22.0 140 352 X A H X S+ 0 0 28 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.903 111.8 45.5 -62.9 -43.8 -2.8 13.6 20.4 141 353 X I H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.905 114.7 47.8 -69.0 -41.1 0.6 15.2 20.7 142 354 X F H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.931 110.7 50.6 -64.7 -46.1 2.4 12.0 19.5 143 355 X D H X S+ 0 0 88 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.895 111.8 49.6 -58.9 -39.4 0.1 11.7 16.5 144 356 X L H X S+ 0 0 7 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.935 110.1 50.4 -62.7 -46.7 0.8 15.3 15.7 145 357 X G H X S+ 0 0 2 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.923 111.2 46.5 -59.1 -49.9 4.5 14.8 16.0 146 358 X M H < S+ 0 0 86 -4,-2.7 4,-0.4 1,-0.2 3,-0.4 0.903 114.5 50.7 -56.6 -40.8 4.6 11.8 13.6 147 359 X S H >< S+ 0 0 36 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.846 107.4 52.2 -67.1 -35.6 2.4 13.8 11.3 148 360 X L H >X S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 4,-0.8 0.677 86.2 82.0 -78.9 -19.0 4.6 16.9 11.3 149 361 X S G >< S+ 0 0 65 -4,-1.1 3,-0.6 -3,-0.4 -1,-0.2 0.850 93.5 49.2 -57.0 -34.6 7.8 15.1 10.4 150 362 X S G <4 S+ 0 0 76 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.570 99.3 67.1 -82.4 -8.8 6.8 15.2 6.7 151 363 X F G <4 S- 0 0 17 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.679 88.5-153.3 -79.8 -19.4 6.0 18.9 7.0 152 364 X N << - 0 0 115 -4,-0.8 -3,-0.1 -3,-0.6 -2,-0.1 0.874 19.3-167.1 46.8 48.3 9.8 19.5 7.5 153 365 X L - 0 0 34 -5,-0.5 2,-0.2 4,-0.1 -1,-0.1 -0.354 6.5-148.3 -66.2 141.1 9.1 22.7 9.5 154 366 X D > - 0 0 37 -2,-0.1 4,-2.6 1,-0.0 3,-0.3 -0.557 35.9 -91.2-100.6 173.4 12.0 25.1 10.2 155 367 X D H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.837 126.8 53.3 -52.7 -36.7 12.5 27.4 13.2 156 368 X T H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 109.2 47.1 -67.1 -44.2 10.7 30.2 11.4 157 369 X E H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.916 114.1 47.4 -64.8 -44.0 7.6 28.1 10.6 158 370 X V H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.939 111.7 51.9 -59.7 -46.5 7.4 26.8 14.2 159 371 X A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.908 109.5 48.8 -56.4 -45.9 7.8 30.4 15.4 160 372 X L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.876 107.8 53.8 -66.6 -39.1 5.0 31.6 13.2 161 373 X L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.932 109.8 49.5 -54.9 -47.5 2.7 28.8 14.4 162 374 X Q H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.926 110.1 49.6 -59.4 -46.6 3.4 29.9 17.9 163 375 X A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.854 110.6 50.4 -61.5 -37.4 2.7 33.5 17.1 164 376 X V H < S+ 0 0 3 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.907 112.0 47.3 -66.9 -42.1 -0.6 32.6 15.5 165 377 X L H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.919 111.7 51.5 -63.3 -44.7 -1.6 30.5 18.5 166 378 X L H < S+ 0 0 1 -4,-2.9 2,-2.0 1,-0.2 -2,-0.2 0.944 102.9 58.8 -56.5 -52.2 -0.6 33.4 20.9 167 379 X M < + 0 0 0 -4,-2.2 2,-0.8 -5,-0.1 -1,-0.2 -0.341 69.5 149.7 -82.5 59.4 -2.7 36.0 19.1 168 380 X S > - 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0 0 78 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.053 23.3-114.7 -70.6-168.9 -2.7 16.1 45.6 236 448 X T S > S+ 0 0 107 2,-0.1 3,-1.3 1,-0.1 -2,-0.1 0.669 112.0 64.4 -97.6 -24.4 -2.5 19.9 45.3 237 449 X E T 3 S+ 0 0 97 1,-0.3 -1,-0.1 3,-0.0 -3,-0.0 0.600 90.4 68.0 -73.4 -11.3 1.0 20.0 46.7 238 450 X L T 3 S+ 0 0 33 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.589 85.8 85.8 -82.2 -10.7 2.2 18.0 43.7 239 451 X F S < S- 0 0 10 -3,-1.3 5,-0.1 2,-0.0 -177,-0.0 -0.829 80.8-127.2 -99.4 121.8 1.5 21.0 41.5 240 452 X P > - 0 0 21 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.338 25.8-114.9 -61.0 144.6 4.1 23.8 41.0 241 453 X P H > S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.808 114.9 47.6 -53.8 -40.3 2.8 27.3 41.8 242 454 X L H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.851 107.5 56.3 -72.9 -34.6 3.3 28.6 38.2 243 455 X F H > S+ 0 0 6 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.892 109.9 47.1 -60.0 -39.1 1.6 25.5 36.8 244 456 X L H X S+ 0 0 63 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.915 108.8 53.5 -69.4 -44.3 -1.4 26.4 39.0 245 457 X E H < S+ 0 0 146 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.9 44.8 -56.8 -42.8 -1.4 30.1 37.9 246 458 X V H < S+ 0 0 18 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 125.3 28.8 -74.2 -42.4 -1.6 29.3 34.2 247 459 X F H < 0 0 28 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.360 360.0 360.0-101.3 4.4 -4.2 26.6 34.2 248 460 X E < 0 0 166 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.177 360.0 360.0 52.2 360.0 -5.9 28.1 37.3