==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 02-JUL-10 3NSQ . COMPND 2 MOLECULE: RETINOID X RECEPTOR, ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHANG,T.HU,L.LI,R.ZHOU,L.CHEN,L.HU,H.JIANG,X.SHEN . 392 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 69.6 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 . 8 2.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 3 3 1 0 3 1 2 3 0 0 0 0 0 0 0 1 2 1 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 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 . 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 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 1 263 A D > 0 0 154 0, 0.0 4,-0.8 0, 0.0 184,-0.1 0.000 360.0 360.0 360.0 122.3 49.6 29.2 -6.9 2 264 A P H > + 0 0 18 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.764 360.0 51.1 -65.2 -52.0 49.9 25.5 -6.8 3 265 A V H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.949 112.4 44.8 -64.3 -45.8 50.2 23.9 -3.4 4 266 A T H > S+ 0 0 92 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.779 112.7 55.4 -61.9 -33.0 47.3 25.6 -1.6 5 267 A N H X S+ 0 0 78 -4,-0.8 4,-0.8 2,-0.2 -1,-0.3 0.801 105.3 50.2 -67.1 -38.1 45.3 24.9 -4.6 6 268 A I H X S+ 0 0 6 -4,-1.8 4,-1.4 -3,-0.5 -2,-0.2 0.804 106.6 55.1 -66.9 -37.3 46.0 21.2 -4.4 7 269 A C H X S+ 0 0 80 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.835 103.9 56.7 -63.4 -35.1 45.0 21.2 -0.8 8 270 A Q H X S+ 0 0 124 -4,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.770 106.0 50.2 -63.4 -36.7 41.7 22.7 -1.9 9 271 A A H X S+ 0 0 32 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.772 108.7 50.5 -68.7 -39.1 41.2 19.8 -4.2 10 272 A A H < S+ 0 0 36 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.876 111.1 49.6 -65.9 -42.5 41.9 17.2 -1.5 11 273 A D H < S+ 0 0 108 -4,-1.8 -2,-0.2 1,-0.2 5,-0.2 0.905 108.1 52.7 -63.6 -43.5 39.5 18.9 0.7 12 274 A K H >X S+ 0 0 122 -4,-1.4 4,-1.6 3,-0.1 3,-0.7 0.871 109.0 53.3 -63.3 -42.3 36.8 19.0 -1.9 13 275 A Q T 3< S+ 0 0 44 -4,-1.6 34,-0.0 1,-0.2 0, 0.0 -0.801 109.4 37.8 -87.6 141.4 37.1 15.3 -2.5 14 276 A L T 34 S+ 0 0 86 -2,-0.4 -1,-0.2 29,-0.0 -2,-0.1 0.322 112.4 60.0 84.0 -2.6 36.8 13.5 0.7 15 277 A F T <> S+ 0 0 107 -3,-0.7 4,-1.8 2,-0.1 -2,-0.2 0.565 110.2 44.1-109.9 -40.4 34.1 16.0 1.7 16 278 A T H X S+ 0 0 65 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.922 113.7 49.8 -61.5 -44.7 32.4 14.7 -1.3 17 279 A L H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 110.7 49.2 -63.5 -42.0 33.3 11.2 -0.3 18 280 A V H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.791 109.1 54.0 -64.1 -31.1 32.0 11.8 3.1 19 281 A E H X S+ 0 0 61 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.856 108.8 47.7 -67.2 -38.6 28.9 13.2 1.6 20 282 A W H < S+ 0 0 50 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.904 111.0 52.8 -64.2 -42.5 28.4 10.0 -0.4 21 283 A A H >< S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 6,-0.2 0.869 104.0 54.7 -62.7 -40.8 29.0 8.1 2.7 22 284 A K H 3< S+ 0 0 112 -4,-1.7 6,-0.3 1,-0.2 -1,-0.2 0.838 104.4 56.0 -63.2 -31.0 26.3 9.9 4.6 23 285 A R T 3< S+ 0 0 193 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.571 83.5 99.0 -82.0 -7.5 23.8 9.1 2.0 24 286 A I S X S- 0 0 30 -3,-1.1 3,-1.3 -4,-0.5 4,-0.4 -0.602 90.6 -98.9 -74.5 138.7 24.4 5.3 2.3 25 287 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.419 99.5 3.5 -64.9 129.9 21.7 3.8 4.5 26 288 A H T 3 S+ 0 0 84 -2,-0.1 4,-0.4 -4,-0.1 -3,-0.1 0.421 91.6 110.7 83.6 -0.0 22.8 3.2 8.0 27 289 A F S X S+ 0 0 2 -3,-1.3 3,-0.6 -6,-0.2 -5,-0.1 0.877 83.2 47.7 -67.1 -41.4 26.3 4.7 7.9 28 290 A S T 3 S+ 0 0 64 -4,-0.4 -1,-0.2 -6,-0.3 7,-0.1 0.685 100.0 65.5 -70.0 -25.9 25.2 7.6 10.1 29 291 A E T 3 S+ 0 0 150 2,-0.1 -1,-0.2 3,-0.0 -2,-0.2 0.689 87.2 95.7 -69.1 -19.7 23.5 5.2 12.6 30 292 A L S < S- 0 0 20 -3,-0.6 5,-0.1 -4,-0.4 -3,-0.0 -0.342 95.9 -87.2 -69.2 154.1 26.9 4.0 13.3 31 293 A P >> - 0 0 59 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.291 38.7-119.9 -63.4 146.1 28.8 5.3 16.2 32 294 A L H 3> S+ 0 0 127 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.862 112.9 55.4 -64.1 -37.2 30.8 8.4 15.2 33 295 A D H 3> S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.839 108.7 51.7 -63.1 -32.5 34.1 6.9 16.0 34 296 A D H <> S+ 0 0 3 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.856 100.4 59.1 -64.8 -42.0 33.2 4.1 13.7 35 297 A Q H X S+ 0 0 24 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.859 109.2 46.2 -62.2 -38.7 32.3 6.3 10.8 36 298 A V H X S+ 0 0 76 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.876 106.8 55.3 -66.5 -44.8 35.8 7.7 10.8 37 299 A I H X S+ 0 0 38 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.833 110.5 48.1 -60.9 -37.7 37.6 4.5 11.1 38 300 A L H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.813 109.5 51.2 -66.9 -41.9 35.7 3.3 8.0 39 301 A L H X S+ 0 0 23 -4,-1.3 4,-1.1 -5,-0.2 -2,-0.2 0.859 112.7 46.0 -66.2 -40.8 36.5 6.4 6.0 40 302 A R H < S+ 0 0 192 -4,-2.3 4,-0.2 2,-0.2 -1,-0.2 0.766 112.4 50.4 -67.9 -34.1 40.1 6.2 6.8 41 303 A A H < S+ 0 0 49 -4,-1.0 4,-0.2 -5,-0.3 -2,-0.2 0.826 124.3 28.3 -68.1 -32.9 40.3 2.5 6.0 42 304 A G H X S+ 0 0 3 -4,-1.3 4,-2.2 1,-0.1 5,-0.2 0.370 79.5 106.3-115.9 5.3 38.6 3.0 2.7 43 305 A W H X S+ 0 0 79 -4,-1.1 4,-1.5 1,-0.2 5,-0.1 0.860 88.3 44.3 -61.5 -42.0 39.2 6.4 1.2 44 306 A N H > S+ 0 0 13 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 114.7 45.3 -65.9 -46.6 41.6 5.2 -1.5 45 307 A E H > S+ 0 0 20 2,-0.2 4,-2.1 -4,-0.2 5,-0.2 0.913 114.5 51.3 -62.8 -43.2 39.7 2.1 -2.6 46 308 A L H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.821 112.9 45.0 -62.5 -39.6 36.5 4.2 -2.7 47 309 A L H X S+ 0 0 20 -4,-1.5 4,-2.8 -5,-0.2 5,-0.2 0.873 113.4 48.1 -66.9 -45.7 38.2 6.9 -4.8 48 310 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.839 107.8 55.2 -63.2 -40.6 39.9 4.5 -7.3 49 311 A A H X S+ 0 0 5 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.808 114.9 42.7 -64.0 -37.6 36.6 2.6 -7.8 50 312 A S H X S+ 0 0 28 -4,-0.7 4,-1.8 -5,-0.2 -2,-0.2 0.894 112.9 47.1 -67.9 -52.9 35.1 5.9 -8.7 51 313 A F H X S+ 0 0 20 -4,-2.8 4,-0.9 1,-0.2 12,-0.6 0.851 113.8 54.0 -62.3 -32.3 37.9 7.4 -10.9 52 314 A S H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.827 108.0 44.6 -68.4 -42.9 38.0 4.1 -12.6 53 315 A H H >< S+ 0 0 23 -4,-0.9 3,-1.0 1,-0.2 -2,-0.2 0.822 113.1 52.6 -70.2 -35.0 34.3 3.8 -13.6 54 316 A R H >< S+ 0 0 74 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.837 102.0 61.0 -62.3 -33.0 34.2 7.4 -14.7 55 317 A S G >< S+ 0 0 0 -4,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.333 72.8 97.7 -88.8 7.6 37.2 6.7 -16.9 56 318 A I G < S+ 0 0 46 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.760 78.0 60.3 -63.1 -24.2 35.2 4.2 -18.8 57 319 A A G < S+ 0 0 88 -3,-1.0 2,-0.4 -4,-0.1 -1,-0.3 0.200 96.5 75.1 -90.9 11.4 34.6 6.9 -21.4 58 320 A V S < S- 0 0 20 -3,-1.3 2,-0.6 3,-0.1 3,-0.3 -0.932 73.7-134.3-131.3 147.3 38.2 7.4 -22.2 59 321 A K S S- 0 0 162 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.913 86.5 -13.6-102.2 124.2 40.7 5.4 -24.1 60 322 A D S S+ 0 0 62 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.938 114.8 76.9 54.3 61.8 43.9 5.1 -22.2 61 323 A G S S- 0 0 1 -3,-0.3 2,-0.4 -6,-0.2 10,-0.2 -0.968 72.5-105.9-171.5 179.9 43.6 7.7 -19.5 62 324 A I E -A 70 0A 0 8,-2.9 8,-3.7 -2,-0.3 2,-0.5 -0.991 26.4-149.8-122.6 132.8 42.1 8.6 -16.1 63 325 A L E -A 69 0A 37 -12,-0.6 6,-0.2 -2,-0.4 -9,-0.1 -0.873 5.8-165.4-111.3 122.9 39.3 11.1 -15.8 64 326 A L - 0 0 24 4,-2.3 5,-0.1 -2,-0.5 -1,-0.1 0.542 35.8-117.1 -88.8 -10.8 38.9 13.2 -12.6 65 327 A A S S+ 0 0 61 3,-0.2 -1,-0.1 -14,-0.1 4,-0.1 0.599 108.3 83.3 81.1 6.0 35.4 14.8 -12.7 66 328 A T S S- 0 0 96 2,-0.2 3,-0.1 0, 0.0 -1,-0.0 0.267 118.2-110.3 -98.5 -5.2 36.9 18.1 -12.8 67 329 A G S S+ 0 0 51 1,-0.3 2,-0.4 0, 0.0 0, 0.0 0.277 76.8 138.6 91.7 -6.3 36.9 17.1 -16.4 68 330 A L - 0 0 80 -5,-0.1 -4,-2.3 1,-0.0 2,-0.6 -0.554 41.1-155.1 -73.7 123.8 40.7 16.8 -16.4 69 331 A H E -A 63 0A 66 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.892 15.0-152.7-107.6 118.8 41.6 13.7 -18.3 70 332 A V E -A 62 0A 27 -8,-3.7 -8,-2.9 -2,-0.6 2,-0.3 -0.674 14.0-174.6-109.1 145.1 45.0 12.3 -17.3 71 333 A H - 0 0 80 -2,-0.3 2,-0.2 -10,-0.2 -10,-0.1 -0.786 34.1 -90.5-129.4 163.5 47.7 10.2 -18.9 72 334 A R - 0 0 135 -2,-0.3 2,-0.2 -12,-0.2 9,-0.0 -0.513 46.6-154.2 -72.6 141.7 50.9 8.5 -18.3 73 335 A N > - 0 0 99 -2,-0.2 3,-1.2 1,-0.1 8,-0.0 -0.754 23.9-110.3-125.2 167.1 53.9 10.7 -18.9 74 336 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.840 111.3 48.5 -64.0 -37.5 57.6 10.3 -19.9 75 337 A A T 3 S+ 0 0 99 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.213 82.5 124.0 -99.7 15.0 59.1 11.3 -16.6 76 338 A H < - 0 0 50 -3,-1.2 2,-0.1 1,-0.1 -4,-0.0 -0.439 65.8-106.8 -73.5 145.2 57.0 9.2 -14.3 77 339 A S >> - 0 0 63 -2,-0.1 4,-2.2 1,-0.1 3,-0.6 -0.400 32.6-108.8 -74.0 156.4 58.4 6.7 -11.9 78 340 A A H 3> S+ 0 0 90 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.870 119.9 55.4 -57.8 -37.3 58.1 3.1 -12.7 79 341 A G H 3> S+ 0 0 13 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.851 105.9 45.9 -63.6 -45.7 55.6 3.0 -9.9 80 342 A V H <> S+ 0 0 7 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.850 112.6 51.8 -64.8 -39.8 53.3 5.7 -11.0 81 343 A G H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.877 108.0 52.7 -63.3 -39.5 53.2 4.4 -14.5 82 344 A A H X S+ 0 0 38 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.807 104.2 55.1 -66.4 -36.2 52.3 1.0 -13.3 83 345 A I H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.889 107.3 51.5 -63.6 -37.4 49.5 2.2 -11.2 84 346 A F H X S+ 0 0 6 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.937 111.0 47.3 -61.8 -45.2 48.1 3.7 -14.3 85 347 A D H X S+ 0 0 65 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.826 111.4 50.2 -66.3 -38.0 48.4 0.5 -16.2 86 348 A R H X>S+ 0 0 36 -4,-2.1 4,-2.0 2,-0.2 5,-0.6 0.825 104.7 57.2 -66.9 -37.1 46.8 -1.5 -13.4 87 349 A V H X>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 4,-1.3 0.950 115.1 38.7 -61.9 -48.0 43.9 0.8 -13.2 88 350 A L H <>S+ 0 0 22 -4,-1.6 5,-1.5 3,-0.2 -2,-0.2 0.818 120.4 42.8 -67.3 -42.7 43.1 0.2 -16.8 89 351 A T H <5S+ 0 0 80 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.911 127.3 26.7 -68.6 -49.1 44.0 -3.5 -17.0 90 352 A E H <5S+ 0 0 6 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.652 136.4 14.9 -91.8 -22.3 42.3 -4.7 -13.8 91 353 A L T X S+ 0 0 45 2,-0.2 4,-1.8 3,-0.2 -2,-0.2 0.835 110.7 49.9 -71.1 -43.4 36.8 -4.8 -17.0 95 357 A M H <>S+ 0 0 5 -4,-2.5 5,-2.9 1,-0.2 4,-0.4 0.904 117.5 47.4 -62.8 -38.1 34.2 -2.5 -15.7 96 358 A R H ><5S+ 0 0 77 -4,-1.6 3,-0.5 -5,-0.3 -2,-0.2 0.909 106.9 50.8 -64.7 -49.7 34.0 -1.6 -19.3 97 359 A D H 3<5S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.841 119.1 39.7 -61.4 -37.8 33.8 -5.0 -20.9 98 360 A M T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.592 108.0-127.0 -89.2 -5.6 31.0 -6.0 -18.6 99 361 A Q T < 5 - 0 0 152 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.949 29.4-154.5 59.2 51.3 29.4 -2.7 -18.8 100 362 A M < - 0 0 7 -5,-2.9 2,-0.2 -6,-0.2 -1,-0.1 -0.270 11.1-138.7 -61.0 139.2 29.3 -2.3 -15.0 101 363 A D > - 0 0 26 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.535 16.6-110.8-103.4 165.7 26.5 0.0 -14.1 102 364 A K H > S+ 0 0 163 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.744 116.6 52.1 -66.7 -31.0 26.2 2.8 -11.5 103 365 A T H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.933 112.8 46.6 -67.2 -45.9 23.9 0.9 -9.2 104 366 A E H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.875 113.1 49.0 -63.0 -44.1 26.3 -2.0 -9.3 105 367 A L H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.823 108.9 52.3 -64.1 -39.1 29.3 0.3 -8.7 106 368 A G H X S+ 0 0 24 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.871 107.1 52.6 -64.2 -38.0 27.6 2.0 -5.8 107 369 A C H X S+ 0 0 25 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.893 106.9 54.1 -64.1 -39.0 26.9 -1.2 -4.2 108 370 A L H X S+ 0 0 13 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.822 107.4 49.1 -62.0 -40.4 30.5 -2.2 -4.5 109 371 A R H X S+ 0 0 22 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.840 107.9 54.0 -67.2 -37.6 31.7 0.9 -2.8 110 372 A A H X S+ 0 0 5 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.797 110.3 47.7 -63.0 -38.2 29.2 0.4 0.1 111 373 A I H < S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.838 113.9 46.6 -67.7 -40.5 30.7 -3.0 0.5 112 374 A V H < S+ 0 0 6 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.903 114.4 49.2 -63.3 -44.4 34.2 -1.6 0.4 113 375 A L H < S+ 0 0 1 -4,-3.1 2,-1.6 1,-0.2 -2,-0.2 0.901 101.4 62.1 -63.6 -46.0 33.1 1.1 2.8 114 376 A F S < S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.1 -4,-0.0 -0.632 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54.8 44.2 51.1 9.1 -3.4 175 437 A F T 4< + 0 0 5 -5,-1.7 -4,-0.1 1,-0.2 5,-0.1 0.770 67.6 52.4 -63.0 -36.8 48.9 8.6 -6.5 176 438 A F T >> S+ 0 0 39 -6,-0.4 4,-2.0 1,-0.2 3,-1.9 0.935 106.7 52.0 -64.9 -46.7 46.1 11.0 -5.5 177 439 A F H 3> S+ 0 0 98 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.819 112.3 47.4 -60.6 -31.2 48.4 13.9 -4.8 178 440 A K H 3< S+ 0 0 64 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.245 109.5 52.6 -94.5 5.0 49.9 13.5 -8.1 179 441 A L H <4 S+ 0 0 13 -3,-1.9 4,-0.4 -5,-0.1 -2,-0.2 0.747 120.9 29.8-103.2 -55.6 46.7 13.2 -10.0 180 442 A I H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.847 130.2 42.6 -67.3 -37.3 45.2 16.3 -8.7 181 443 A G S X S+ 0 0 1 -4,-1.3 4,-1.2 -5,-0.5 -3,-0.2 0.469 89.3 78.6 -98.5 -5.1 48.5 17.9 -8.2 182 444 A D H > S+ 0 0 49 2,-0.2 4,-2.1 3,-0.1 5,-0.3 0.948 95.8 46.6 -67.1 -48.5 50.7 17.2 -11.3 183 445 A T H > S+ 0 0 63 -4,-0.4 4,-2.3 1,-0.2 5,-0.2 0.950 112.4 47.8 -63.1 -46.7 49.1 19.7 -13.6 184 446 A P H > S+ 0 0 33 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.857 114.3 47.9 -61.5 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0.0 0.0 0.0 195 264 B P 0 0 145 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.8 72.9 -31.9 2.4 196 265 B V + 0 0 140 1,-0.2 3,-0.3 2,-0.1 0, 0.0 0.916 360.0 39.9 -63.8 -50.6 73.0 -31.9 6.2 197 266 B T S S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.0 2,-0.0 0.346 95.7 87.7 -86.8 9.4 72.8 -28.1 7.2 198 267 B N + 0 0 80 -3,-0.5 -1,-0.2 2,-0.1 4,-0.1 -0.221 50.4 134.2-111.1 36.4 70.2 -27.3 4.6 199 268 B I + 0 0 134 -3,-0.3 2,-2.5 1,-0.2 4,-0.1 -0.299 66.9 30.0 -78.3 166.0 66.9 -28.0 6.2 200 269 B C S S+ 0 0 96 2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 -0.119 104.1 73.9 75.5 -53.3 64.1 -25.5 5.9 201 270 B Q S S+ 0 0 134 -2,-2.5 2,-2.6 1,-0.3 3,-0.5 0.699 76.8 90.2 -66.5 -10.0 65.4 -24.4 2.5 202 271 B A + 0 0 56 1,-0.2 -2,-0.3 2,-0.1 -1,-0.3 -0.427 47.8 119.2 -81.6 65.4 63.8 -27.7 2.0 203 272 B A > + 0 0 59 -2,-2.6 4,-0.7 2,-0.1 -1,-0.2 0.130 47.9 86.0-105.6 8.7 60.6 -25.7 1.4 204 273 B D H > S+ 0 0 103 -3,-0.5 4,-2.3 2,-0.2 -2,-0.1 0.509 76.1 68.9 -85.1 -6.8 60.4 -27.2 -2.1 205 274 B K H > S+ 0 0 129 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2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.775 108.4 48.1 -66.6 -39.1 35.8 -28.0 0.0 297 366 B E H > S+ 0 0 0 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.818 111.2 51.2 -67.5 -39.2 35.1 -24.2 0.3 298 367 B L H X S+ 0 0 17 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.846 107.7 53.5 -64.4 -40.3 38.8 -23.6 1.0 299 368 B G H X S+ 0 0 24 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.762 108.3 49.3 -64.2 -35.4 39.7 -25.6 -2.0 300 369 B C H X S+ 0 0 19 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.843 109.3 50.0 -71.3 -41.9 37.5 -23.5 -4.3 301 370 B L H X S+ 0 0 11 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.911 112.0 51.0 -64.0 -40.5 38.7 -20.2 -3.0 302 371 B R H X S+ 0 0 28 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.852 108.4 49.3 -64.6 -41.7 42.2 -21.5 -3.6 303 372 B A H X S+ 0 0 6 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.828 109.1 54.2 -64.1 -36.5 41.4 -22.6 -7.1 304 373 B I H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.829 106.7 51.9 -63.8 -38.4 40.0 -19.2 -7.7 305 374 B V H < S+ 0 0 12 -4,-1.8 3,-0.2 -5,-0.2 -2,-0.2 0.917 109.3 49.8 -63.8 -42.3 43.2 -17.8 -6.5 306 375 B L H < S+ 0 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0 0 65 1,-0.1 4,-0.8 -92,-0.1 -1,-0.2 -0.672 61.6 156.2-133.3 76.7 45.5 -16.3 -22.6 317 386 B P H > S+ 0 0 54 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.747 72.7 66.0 -65.8 -31.9 43.8 -14.3 -20.0 318 387 B A H > S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.937 101.8 45.9 -63.2 -46.1 40.4 -15.0 -21.4 319 388 B E H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.750 107.7 58.7 -64.7 -32.9 40.5 -18.7 -20.6 320 389 B V H X S+ 0 0 0 -4,-0.8 4,-0.9 2,-0.2 -1,-0.2 0.836 108.3 44.4 -66.7 -37.8 41.8 -18.0 -17.2 321 390 B E H X S+ 0 0 33 -4,-1.6 4,-1.6 -3,-0.4 -2,-0.2 0.807 109.9 57.5 -67.2 -38.1 38.7 -16.0 -16.3 322 391 B A H X S+ 0 0 43 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.874 107.5 46.5 -63.7 -41.5 36.6 -18.6 -18.0 323 392 B L H X S+ 0 0 3 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.752 107.8 56.2 -66.4 -35.7 38.0 -21.2 -15.6 324 393 B R H X S+ 0 0 10 -4,-0.9 4,-2.0 2,-0.2 5,-0.2 0.816 104.6 54.1 -64.7 -37.0 37.5 -19.1 -12.6 325 394 B E H X S+ 0 0 72 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.896 104.8 53.9 -65.0 -39.2 33.9 -18.7 -13.5 326 395 B K H X S+ 0 0 115 -4,-1.0 4,-1.3 1,-0.2 -2,-0.2 0.865 109.7 47.4 -62.1 -44.9 33.6 -22.5 -13.6 327 396 B V H X S+ 0 0 21 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.892 114.8 43.8 -64.9 -48.0 35.0 -22.9 -10.1 328 397 B Y H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.815 107.2 58.9 -66.3 -32.8 32.9 -20.2 -8.5 329 398 B A H X S+ 0 0 40 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.921 112.2 43.5 -61.2 -43.3 29.8 -21.3 -10.2 330 399 B S H X S+ 0 0 60 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.830 106.2 57.1 -66.8 -40.4 30.3 -24.5 -8.5 331 400 B L H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.822 109.9 49.3 -62.6 -35.8 31.3 -23.3 -5.1 332 401 B E H X S+ 0 0 35 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.814 109.1 50.2 -67.3 -39.1 28.0 -21.5 -5.1 333 402 B A H X S+ 0 0 47 -4,-1.1 4,-1.5 -5,-0.2 -2,-0.2 0.928 113.4 46.8 -65.9 -41.4 26.2 -24.6 -6.1 334 403 B Y H X S+ 0 0 54 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.845 113.0 49.4 -63.0 -41.7 27.9 -26.5 -3.4 335 404 B C H X S+ 0 0 4 -4,-1.6 4,-1.6 2,-0.2 7,-0.2 0.835 109.1 50.9 -68.2 -42.1 27.1 -23.7 -0.9 336 405 B K H < S+ 0 0 84 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.816 115.5 42.2 -67.2 -35.3 23.5 -23.6 -1.7 337 406 B H H < S+ 0 0 157 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.960 121.4 37.8 -68.5 -57.3 23.0 -27.3 -1.3 338 407 B K H < S+ 0 0 103 -4,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.782 131.2 24.8 -67.0 -37.7 25.1 -27.9 1.8 339 408 B Y >< + 0 0 30 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.3 -0.644 68.6 157.6-130.0 70.1 24.2 -24.7 3.8 340 409 B P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.788 70.6 64.9 -65.5 -33.3 20.8 -23.7 2.4 341 410 B E T 3 S+ 0 0 130 1,-0.2 3,-0.2 -3,-0.1 -5,-0.1 0.620 94.3 63.0 -64.6 -22.8 20.0 -21.7 5.5 342 411 B Q X + 0 0 68 -3,-0.9 3,-0.9 -7,-0.2 4,-0.2 -0.828 57.2 172.5-108.6 98.0 22.8 -19.3 4.8 343 412 B P T 3 S+ 0 0 88 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.833 79.9 52.5 -64.0 -34.0 22.0 -17.5 1.6 344 413 B G T 3> S+ 0 0 27 1,-0.2 4,-1.5 -3,-0.2 5,-0.1 0.323 78.9 99.5 -88.1 5.1 24.9 -15.1 2.1 345 414 B R H <> S+ 0 0 2 -3,-0.9 4,-1.4 -6,-0.2 -1,-0.2 0.844 78.8 51.0 -62.6 -40.6 27.6 -17.7 2.6 346 415 B F H > S+ 0 0 5 -3,-0.5 4,-1.4 -4,-0.2 3,-0.3 0.923 110.9 47.1 -65.6 -46.3 29.1 -17.7 -0.9 347 416 B A H > S+ 0 0 2 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.860 107.4 59.1 -62.5 -35.9 29.5 -14.1 -1.0 348 417 B K H < S+ 0 0 43 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.850 103.8 52.3 -62.1 -38.4 31.1 -14.2 2.4 349 418 B L H >< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.3 4,-0.3 0.888 106.9 50.1 -63.1 -45.2 33.8 -16.5 1.2 350 419 B L H >< S+ 0 0 1 -4,-1.4 3,-0.6 1,-0.3 -1,-0.2 0.647 102.1 64.7 -67.6 -19.5 34.8 -14.4 -1.7 351 420 B L T 3< S+ 0 0 4 -4,-0.8 4,-0.3 -3,-0.3 -1,-0.3 0.380 89.7 64.4 -94.2 4.2 35.1 -11.4 0.6 352 421 B R T <> S+ 0 0 19 -3,-1.3 4,-1.8 2,-0.1 3,-0.3 0.634 85.5 78.0 -87.4 -18.4 37.9 -13.0 2.5 353 422 B L H <> S+ 0 0 13 -3,-0.6 4,-1.4 -4,-0.3 -2,-0.2 0.793 88.2 53.5 -64.3 -34.9 39.9 -12.8 -0.7 354 423 B P H > S+ 0 0 7 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.888 107.9 51.2 -63.3 -39.2 40.7 -9.2 -0.3 355 424 B A H > S+ 0 0 1 -4,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.888 110.5 49.9 -63.9 -40.1 42.0 -9.9 3.2 356 425 B L H X S+ 0 0 7 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.767 107.5 54.0 -63.5 -36.2 44.2 -12.6 1.8 357 426 B R H X S+ 0 0 26 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.853 111.9 42.2 -67.4 -44.1 45.5 -10.3 -0.9 358 427 B S H X S+ 0 0 4 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.792 114.7 52.2 -66.8 -39.6 46.7 -7.7 1.4 359 428 B I H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.833 109.0 50.6 -66.1 -39.7 48.0 -10.3 3.9 360 429 B G H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.812 105.5 54.5 -64.1 -40.1 50.0 -11.9 1.1 361 430 B L H >< S+ 0 0 74 -4,-1.0 3,-0.9 1,-0.2 -2,-0.2 0.856 108.6 51.9 -65.3 -36.4 51.6 -8.7 -0.0 362 431 B K H >< S+ 0 0 79 -4,-1.2 3,-1.3 1,-0.2 -1,-0.2 0.807 99.6 60.6 -64.3 -32.6 52.7 -8.2 3.5 363 432 B C T 3< S+ 0 0 13 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.359 100.9 57.7 -86.2 7.4 54.3 -11.6 3.8 364 433 B L T < S+ 0 0 82 -3,-0.9 -1,-0.3 -4,-0.1 2,-0.2 0.215 74.4 116.0-114.6 6.4 56.6 -10.7 1.0 365 434 B E <> - 0 0 85 -3,-1.3 4,-1.2 1,-0.1 3,-0.5 -0.624 68.8-130.6 -76.9 142.1 58.1 -7.6 2.5 366 435 B H H > S+ 0 0 122 -2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.744 105.2 62.6 -65.2 -29.6 61.9 -8.1 3.1 367 436 B L H 4 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.908 102.9 53.3 -62.2 -37.4 61.7 -6.9 6.7 368 437 B F H 4 S+ 0 0 41 -3,-0.5 3,-0.4 -6,-0.2 -2,-0.2 0.903 111.3 43.4 -64.3 -47.5 59.4 -9.9 7.4 369 438 B F H < S+ 0 0 102 -4,-1.2 2,-2.9 1,-0.2 -1,-0.2 0.909 99.2 68.1 -64.8 -43.0 61.8 -12.4 6.0 370 439 B F < + 0 0 146 -4,-2.1 -1,-0.2 3,-0.0 -2,-0.1 -0.110 68.2 134.9 -80.9 50.1 65.0 -11.2 7.5 371 440 B K + 0 0 85 -2,-2.9 -99,-0.0 -3,-0.4 4,-0.0 -0.003 38.8 77.8 -76.1-163.2 63.7 -12.2 10.8 372 441 B L >> + 0 0 76 3,-0.1 4,-1.4 1,-0.1 3,-1.0 0.939 49.0 167.8 55.5 56.4 66.5 -14.0 12.6 373 442 B I T 34 S+ 0 0 144 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.858 78.8 47.0 -62.9 -31.8 68.6 -11.0 13.7 374 443 B G T 34 S+ 0 0 41 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.448 112.2 48.9 -90.8 -2.3 70.7 -13.2 16.0 375 444 B D T <> S+ 0 0 103 -3,-1.0 4,-1.4 2,-0.1 -1,-0.2 0.601 102.7 60.1-111.9 -22.0 71.2 -15.9 13.5 376 445 B T H X S+ 0 0 70 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.844 108.1 44.1 -66.8 -46.4 72.3 -13.7 10.7 377 446 B P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.827 111.1 55.7 -67.6 -35.4 75.3 -12.4 12.7 378 447 B I H > S+ 0 0 89 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.913 108.9 47.1 -62.9 -45.1 76.1 -15.8 13.8 379 448 B D H X S+ 0 0 98 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.933 116.0 42.7 -62.4 -49.7 76.3 -17.0 10.2 380 449 B T H X S+ 0 0 64 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.866 111.3 57.7 -64.9 -34.2 78.5 -14.1 9.1 381 450 B F H X S+ 0 0 109 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.844 103.0 51.5 -63.8 -39.6 80.6 -14.4 12.2 382 451 B L H X S+ 0 0 92 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.851 110.0 51.8 -64.5 -35.0 81.5 -18.0 11.6 383 452 B M H < S+ 0 0 114 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.869 112.7 43.8 -67.3 -42.3 82.5 -17.0 8.1 384 453 B E H < S+ 0 0 147 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.765 110.2 53.3 -71.0 -34.4 84.8 -14.2 9.3 385 454 B M H < S+ 0 0 116 -4,-1.7 2,-0.2 -5,-0.2 -1,-0.2 0.551 81.1 115.0 -77.8 -12.1 86.4 -16.1 12.1 386 455 B L < - 0 0 99 -4,-0.6 -3,-0.0 -3,-0.2 -4,-0.0 -0.434 53.5-160.6 -63.3 130.0 87.3 -18.8 9.7 387 456 B E > + 0 0 111 -2,-0.2 3,-0.9 1,-0.2 -1,-0.1 -0.043 47.5 125.7-106.4 33.8 91.1 -18.8 9.5 388 457 B A G > + 0 0 68 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.782 66.5 56.9 -61.1 -34.2 91.4 -20.7 6.2 389 458 B P G 3 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.010 75.6 100.4 -99.3 32.9 93.6 -18.1 4.4 390 459 B H G < S+ 0 0 159 -3,-0.9 2,-0.4 1,-0.1 -2,-0.1 0.287 76.6 59.5 -98.5 7.0 96.3 -18.2 7.0 391 460 B Q < + 0 0 130 -3,-0.7 -1,-0.1 1,-0.0 2,-0.1 -0.964 60.8 154.1-126.5 121.1 98.4 -20.5 4.9 392 461 B M 0 0 153 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.409 360.0 360.0-151.1 79.7 99.5 -19.3 1.5 393 462 B T 0 0 192 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.186 360.0 360.0-134.3 360.0 102.6 -20.6 -0.2