==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 10-AUG-06 2I0J . COMPND 2 MOLECULE: ESTROGEN RECEPTOR ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG . 896 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 79.1 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 . 24 2.7 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 539 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 0 0 1 1 0 4 0 0 0 4 0 0 4 0 2 0 2 4 0 0 0 4 0 1 3 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 0 0 4 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 . 4 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 1 306 A L > 0 0 147 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0-123.4 35.5 18.5 -13.3 2 307 A A G > + 0 0 5 1,-0.3 3,-1.6 2,-0.2 8,-0.1 0.846 360.0 73.3 -60.4 -31.9 34.5 14.8 -12.9 3 308 A L G 3 S+ 0 0 67 1,-0.3 -1,-0.3 58,-0.0 58,-0.0 0.673 99.2 45.2 -57.5 -17.1 31.4 15.7 -14.9 4 309 A S G < S+ 0 0 92 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.536 85.9 114.5-103.9 -10.4 33.6 15.9 -18.1 5 310 A L < - 0 0 39 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.0 -0.338 66.1-123.8 -61.2 139.7 35.6 12.7 -17.4 6 311 A T >> - 0 0 70 1,-0.1 4,-2.7 -2,-0.0 3,-2.5 -0.540 27.8-100.6 -86.6 154.5 35.0 9.9 -20.0 7 312 A A H 3> S+ 0 0 20 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.882 126.0 46.4 -34.8 -60.4 33.9 6.4 -19.0 8 313 A D H 3> S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.723 112.8 50.3 -60.7 -21.9 37.4 5.1 -19.3 9 314 A Q H <> S+ 0 0 90 -3,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.856 109.1 51.1 -83.4 -35.9 38.8 8.1 -17.4 10 315 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 -3,-0.3 -2,-0.2 0.952 114.2 43.1 -62.6 -52.3 36.3 7.6 -14.6 11 316 A V H X S+ 0 0 11 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.968 112.6 53.1 -56.9 -56.6 37.1 3.9 -14.2 12 317 A S H X S+ 0 0 60 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.896 110.8 46.9 -45.4 -51.8 40.9 4.6 -14.5 13 318 A A H X S+ 0 0 31 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.952 112.6 50.0 -56.3 -53.4 40.7 7.2 -11.7 14 319 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.864 111.2 48.0 -53.3 -45.0 38.6 4.8 -9.5 15 320 A L H >< S+ 0 0 69 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.886 113.0 49.6 -65.7 -39.7 41.0 1.9 -10.0 16 321 A D H 3< S+ 0 0 104 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.924 104.4 57.5 -65.4 -43.8 43.9 4.2 -9.2 17 322 A A H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.649 78.3 129.3 -62.7 -15.7 42.3 5.6 -6.0 18 323 A E << - 0 0 65 -3,-0.7 -3,-0.1 -4,-0.6 34,-0.0 -0.115 56.8-128.6 -47.1 129.4 42.1 2.1 -4.6 19 324 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 -0.298 28.3 -96.7 -76.3 162.3 43.5 1.8 -1.0 20 325 A P - 0 0 69 0, 0.0 2,-0.8 0, 0.0 31,-0.0 -0.309 34.4-107.1 -77.6 165.5 46.0 -0.9 -0.1 21 326 A I - 0 0 105 -2,-0.0 2,-0.1 79,-0.0 79,-0.1 -0.836 40.7-154.3 -95.4 107.7 45.1 -4.2 1.6 22 327 A L - 0 0 23 -2,-0.8 2,-0.3 22,-0.1 22,-0.0 -0.319 6.5-124.9 -80.4 163.7 46.2 -4.0 5.2 23 328 A Y - 0 0 140 77,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.711 26.3-103.9-105.6 158.2 47.1 -6.9 7.5 24 329 A S - 0 0 7 -2,-0.3 2,-0.6 1,-0.1 17,-0.1 -0.646 40.4-123.0 -79.3 136.8 45.7 -7.7 10.9 25 330 A E + 0 0 123 -2,-0.3 2,-0.2 15,-0.3 18,-0.1 -0.733 57.3 114.0 -88.4 122.2 48.1 -6.7 13.6 26 331 A Y - 0 0 98 -2,-0.6 3,-0.1 14,-0.0 -2,-0.1 -0.774 67.7-106.5 176.0 137.1 49.2 -9.4 16.0 27 332 A D - 0 0 131 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.600 33.0-152.7 -69.0 112.2 52.3 -11.3 17.0 28 333 A P + 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.962 65.4 94.1 -52.2 -57.6 51.6 -14.7 15.4 29 334 A T S S+ 0 0 101 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.149 80.8 24.8 -37.2 149.4 53.6 -16.7 17.9 30 335 A R S S- 0 0 96 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.750 110.0 -46.3 90.1 -96.0 51.8 -18.3 20.9 31 336 A P - 0 0 81 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.565 35.1-107.5-144.9-147.0 48.2 -18.7 20.1 32 337 A F + 0 0 82 -2,-0.2 3,-0.5 0, 0.0 -3,-0.0 0.295 52.2 169.5-123.8 -14.8 44.9 -17.5 18.7 33 338 A S S S- 0 0 82 1,-0.3 3,-0.3 2,-0.1 0, 0.0 0.414 74.1 -76.3 -0.8 54.0 43.9 -17.3 22.4 34 339 A E - 0 0 110 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.335 63.1-166.4 53.2 -9.4 40.6 -15.4 21.6 35 340 A A > - 0 0 49 -3,-0.5 5,-0.5 1,-0.2 -1,-0.2 0.429 62.2 -72.7 -8.8 62.6 43.1 -12.4 21.1 36 341 A S T >5 - 0 0 69 -3,-0.3 4,-3.0 3,-0.2 5,-0.2 0.848 47.8-149.1 23.7 108.8 39.8 -10.5 21.1 37 342 A M H >5S+ 0 0 22 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.969 103.3 42.5 -59.4 -53.7 38.0 -11.1 17.8 38 343 A M H >5S+ 0 0 31 2,-0.2 4,-4.2 1,-0.2 5,-0.4 0.933 110.6 59.8 -58.4 -43.5 36.5 -7.6 18.0 39 344 A G H >5S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 110.5 39.2 -47.4 -57.5 39.9 -6.4 19.1 40 345 A L H XX S+ 0 0 87 -4,-1.0 4,-1.4 1,-0.2 3,-0.8 0.976 110.6 45.1 -59.7 -56.7 42.7 6.4 7.4 51 356 A H H 3X S+ 0 0 68 -4,-1.0 4,-1.2 1,-0.3 -1,-0.2 0.723 106.2 64.2 -60.1 -22.2 43.4 4.9 3.9 52 357 A M H 3X S+ 0 0 11 -4,-1.8 4,-2.9 2,-0.2 -1,-0.3 0.907 99.9 51.4 -68.8 -41.0 39.6 5.2 3.3 53 358 A I H X S+ 0 0 5 -4,-1.2 3,-2.6 -5,-0.2 4,-0.5 0.977 106.3 50.9 -66.8 -57.5 40.6 7.3 -1.2 56 361 A A H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.3 6,-0.2 0.901 104.6 60.0 -45.1 -47.7 37.4 9.3 -0.8 57 362 A K T 3< S+ 0 0 103 -4,-2.6 6,-0.4 1,-0.3 -1,-0.3 0.728 105.4 48.5 -56.7 -22.8 39.4 12.4 -1.7 58 363 A R T <4 S+ 0 0 135 -3,-2.6 -1,-0.3 -4,-0.5 -2,-0.2 0.437 80.5 110.0 -99.4 0.1 40.3 10.8 -5.0 59 364 A V S X< S- 0 0 1 -3,-2.4 3,-2.7 -4,-0.5 4,-0.4 -0.678 86.7-103.3 -76.5 114.7 36.7 9.8 -5.9 60 365 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.120 102.8 12.0 -43.9 116.1 35.9 12.2 -8.8 61 366 A G T 3 S+ 0 0 5 -4,-0.2 111,-0.1 4,-0.0 -4,-0.1 0.193 100.2 100.9 100.7 -13.8 33.6 15.0 -7.6 62 367 A F S X S+ 0 0 2 -3,-2.7 3,-2.2 -6,-0.2 -5,-0.1 0.972 78.4 49.0 -68.3 -54.9 34.0 14.3 -3.9 63 368 A V T 3 S+ 0 0 72 -4,-0.4 -1,-0.2 -6,-0.4 7,-0.1 0.726 97.3 73.4 -58.3 -23.0 36.5 17.0 -3.0 64 369 A D T 3 S+ 0 0 70 2,-0.0 -1,-0.3 104,-0.0 2,-0.2 0.477 85.9 84.9 -70.0 -2.4 34.3 19.5 -4.8 65 370 A L S < S- 0 0 9 -3,-2.2 2,-0.0 1,-0.1 -4,-0.0 -0.531 94.3 -88.8 -95.1 167.2 31.9 19.2 -1.9 66 371 A T > - 0 0 38 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.346 34.5-115.3 -72.0 157.7 32.2 21.2 1.3 67 372 A L H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.932 117.2 52.9 -59.9 -46.9 34.3 19.8 4.1 68 373 A H H > S+ 0 0 131 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 111.9 47.7 -56.4 -37.8 31.2 19.4 6.4 69 374 A D H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.834 108.1 53.0 -73.1 -34.3 29.6 17.5 3.6 70 375 A Q H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.925 111.3 47.9 -67.4 -40.2 32.6 15.3 3.0 71 376 A V H X S+ 0 0 80 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.847 110.9 50.1 -67.5 -35.2 32.6 14.4 6.7 72 377 A H H X S+ 0 0 31 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.815 110.3 49.7 -74.2 -30.2 28.9 13.6 6.8 73 378 A L H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 79,-0.2 0.909 115.4 43.0 -72.4 -44.4 29.0 11.3 3.7 74 379 A L H >X S+ 0 0 24 -4,-2.0 4,-1.6 2,-0.2 3,-0.7 0.941 112.1 52.1 -67.3 -48.4 32.0 9.3 5.1 75 380 A E H 3< S+ 0 0 136 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.884 114.0 46.7 -54.9 -34.9 30.5 9.2 8.6 76 381 A S H 3< S+ 0 0 35 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.727 124.7 28.2 -81.0 -20.9 27.4 7.8 7.0 77 382 A A H S+ 0 0 21 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.895 113.2 52.1 -71.9 -37.4 31.0 0.7 7.4 80 385 A E H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.948 113.1 46.6 -60.5 -45.5 29.2 0.1 4.2 81 386 A I H X S+ 0 0 8 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.914 111.8 49.5 -63.2 -43.2 32.4 0.9 2.3 82 387 A L H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.920 114.0 47.5 -62.0 -42.9 34.5 -1.3 4.6 83 388 A M H X S+ 0 0 17 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.930 108.4 50.3 -66.8 -46.4 32.1 -4.1 4.2 84 389 A I H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.851 110.8 54.1 -61.1 -29.3 31.8 -4.0 0.4 85 390 A G H X S+ 0 0 11 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.962 112.1 42.7 -66.6 -49.2 35.5 -4.0 0.4 86 391 A L H >X S+ 0 0 7 -4,-2.2 4,-1.8 1,-0.2 3,-1.1 0.994 110.9 53.0 -57.0 -69.1 35.5 -7.2 2.5 87 392 A V H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.760 109.8 54.5 -37.5 -30.5 32.8 -8.9 0.6 88 393 A W H >< S+ 0 0 68 -4,-1.2 3,-1.0 -5,-0.3 -1,-0.3 0.921 109.9 40.1 -75.6 -45.8 34.9 -8.2 -2.5 89 394 A R H << S+ 0 0 38 -4,-1.8 3,-0.4 -3,-1.1 -2,-0.2 0.603 107.9 64.8 -80.5 -8.0 38.2 -9.8 -1.4 90 395 A S T >< S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.2 6,-0.2 0.151 75.5 99.1 -94.8 17.2 36.3 -12.7 0.2 91 396 A M T < S+ 0 0 25 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.881 80.7 44.7 -73.2 -39.1 35.1 -13.7 -3.3 92 397 A E T 3 S+ 0 0 165 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.013 104.3 68.9 -95.2 30.4 37.6 -16.4 -4.0 93 398 A H S X S- 0 0 65 -3,-0.9 3,-2.8 3,-0.2 -1,-0.2 -0.334 73.7-162.3-143.0 56.6 37.2 -17.9 -0.5 94 399 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.074 79.0 20.5 -42.7 132.5 33.7 -19.4 -0.4 95 400 A G T 3 S+ 0 0 46 1,-0.2 12,-1.0 29,-0.1 2,-0.3 0.288 116.6 79.6 88.0 -9.2 32.6 -20.0 3.1 96 401 A K E < -A 106 0A 85 -3,-2.8 2,-0.6 -6,-0.2 10,-0.2 -0.895 68.7-136.0-131.6 160.2 35.1 -17.6 4.5 97 402 A L E -A 105 0A 0 8,-3.0 2,-2.2 -2,-0.3 8,-2.1 -0.941 14.9-149.7-116.7 108.5 35.6 -13.8 5.0 98 403 A L E +A 104 0A 27 -2,-0.6 6,-0.2 6,-0.2 -9,-0.1 -0.464 28.9 163.7 -77.5 72.3 39.1 -12.6 4.1 99 404 A F E S- 0 0 28 -2,-2.2 -1,-0.2 4,-0.9 5,-0.2 0.930 75.8 -7.4 -54.1 -45.5 39.2 -9.7 6.5 100 405 A A E > S-A 103 0A 0 3,-1.7 3,-1.7 -3,-0.3 -77,-0.2 -0.919 76.6-104.0-143.8 165.9 43.0 -9.6 6.0 101 406 A P T 3 S+ 0 0 59 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.769 128.6 36.9 -65.6 -20.4 45.5 -11.8 4.1 102 407 A N T 3 S+ 0 0 47 1,-0.2 -79,-0.1 -4,-0.0 2,-0.0 -0.001 115.6 58.6-116.3 22.7 46.5 -13.1 7.5 103 408 A L E < +A 100 0A 13 -3,-1.7 -3,-1.7 2,-0.1 -4,-0.9 -0.505 58.4 156.9-154.1 74.5 43.0 -13.1 9.0 104 409 A L E -A 98 0A 50 -6,-0.2 2,-0.3 -5,-0.2 -6,-0.2 -0.914 23.3-169.5-102.8 109.6 40.6 -15.3 7.0 105 410 A L E -A 97 0A 7 -8,-2.1 -8,-3.0 -2,-0.7 2,-0.3 -0.716 9.7-146.2-106.0 157.4 37.7 -16.3 9.2 106 411 A D E > -A 96 0A 48 -2,-0.3 4,-1.0 -10,-0.2 3,-0.4 -0.812 37.3 -94.2-118.3 160.0 34.9 -18.8 8.8 107 412 A R T >4 S+ 0 0 104 -12,-1.0 3,-0.6 -2,-0.3 4,-0.5 0.791 123.5 54.1 -36.1 -43.2 31.3 -18.8 9.9 108 413 A N G >4 S+ 0 0 95 1,-0.2 3,-3.0 2,-0.2 4,-0.5 0.969 100.9 54.4 -61.2 -57.9 32.3 -20.8 13.0 109 414 A Q G >4 S+ 0 0 80 -3,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.671 101.3 66.2 -52.3 -14.8 35.0 -18.4 14.2 110 415 A G G X< S+ 0 0 0 -4,-1.0 3,-1.2 -3,-0.6 6,-0.3 0.743 85.8 65.5 -79.8 -24.0 32.2 -15.9 14.0 111 416 A K G < S+ 0 0 113 -3,-3.0 -1,-0.2 -4,-0.5 -2,-0.2 0.619 79.2 89.1 -71.4 -10.5 30.2 -17.6 16.8 112 417 A S G < S+ 0 0 51 -3,-0.5 2,-0.4 -4,-0.5 -1,-0.3 0.778 91.7 41.5 -56.3 -31.5 33.1 -16.5 19.0 113 418 A V S X S- 0 0 16 -3,-1.2 3,-1.5 -4,-0.1 4,-0.5 -0.963 96.9-103.7-124.1 142.8 31.4 -13.3 19.7 114 419 A E T 3 S+ 0 0 174 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.423 102.7 9.1 -69.6 120.4 27.7 -12.6 20.4 115 420 A G T 3> S+ 0 0 30 -2,-0.3 4,-0.9 -4,-0.1 -1,-0.2 0.292 100.7 100.2 98.1 -9.1 25.8 -11.2 17.4 116 421 A M H <> + 0 0 9 -3,-1.5 4,-2.8 -6,-0.3 -5,-0.2 0.760 67.7 65.6 -87.2 -19.0 28.6 -11.7 15.0 117 422 A V H > S+ 0 0 17 -4,-0.5 4,-2.7 -7,-0.2 -1,-0.2 0.863 99.7 50.8 -72.0 -37.5 27.3 -14.8 13.3 118 423 A E H > S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.960 115.0 44.0 -60.9 -51.8 24.2 -13.2 11.8 119 424 A I H >X S+ 0 0 18 -4,-0.9 4,-2.7 1,-0.2 3,-0.8 0.977 113.3 52.3 -53.6 -59.6 26.4 -10.4 10.3 120 425 A F H 3X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.857 108.7 49.9 -43.4 -47.8 29.0 -13.0 9.2 121 426 A D H 3X S+ 0 0 51 -4,-2.7 4,-2.8 2,-0.2 -1,-0.3 0.867 110.4 50.3 -65.0 -35.0 26.3 -15.0 7.5 122 427 A M H S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.5 0.915 114.2 46.2 -66.3 -42.6 29.2 -11.3 -6.1 131 436 A R H ><5S+ 0 0 84 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.898 112.0 51.3 -65.3 -41.7 31.0 -14.4 -7.0 132 437 A M H 3<5S+ 0 0 128 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.2 45.4 -64.1 -33.5 27.9 -15.8 -8.6 133 438 A M H 3<5S- 0 0 15 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.496 106.2-129.1 -86.8 -7.0 27.5 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5,-0.3 0.942 108.2 50.2 -66.3 -47.6 46.3 130.5 30.0 538 389 C I H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.835 110.7 54.2 -60.7 -27.5 43.2 130.4 27.9 539 390 C G H X S+ 0 0 12 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.959 112.1 42.7 -68.4 -48.5 41.4 130.4 31.2 540 391 C L H >X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 3,-1.0 0.995 111.0 52.9 -57.7 -68.6 43.2 133.6 32.1 541 392 C V H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.762 109.8 54.4 -37.7 -30.8 42.9 135.3 28.8 542 393 C W H >< S+ 0 0 70 -4,-1.1 3,-1.0 -5,-0.3 -1,-0.3 0.924 109.9 40.1 -75.2 -46.9 39.2 134.6 29.2 543 394 C R H << S+ 0 0 38 -4,-1.9 3,-0.4 -3,-1.0 -2,-0.2 0.607 108.1 64.8 -79.7 -8.1 38.5 136.2 32.6 544 395 C S T >< S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.2 0.139 75.6 98.8 -95.0 17.4 40.8 139.1 31.7 545 396 C M T < S+ 0 0 24 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.888 80.7 44.9 -73.6 -39.8 38.4 140.1 28.9 546 397 C E T 3 S+ 0 0 165 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.018 104.3 68.7 -94.3 31.0 36.6 142.8 30.8 547 398 C H S X S- 0 0 64 -3,-0.9 3,-2.8 3,-0.2 -1,-0.2 -0.324 73.7-162.3-143.7 56.1 39.8 144.3 32.1 548 399 C P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.071 79.0 20.6 -42.7 132.6 41.6 145.8 29.1 549 400 C G T 3 S+ 0 0 45 1,-0.2 12,-1.0 29,-0.1 2,-0.3 0.283 116.6 79.8 87.8 -9.1 45.2 146.4 29.9 550 401 C K E < -C 560 0C 83 -3,-2.8 2,-0.6 -6,-0.2 10,-0.2 -0.889 68.6-136.3-131.1 160.1 45.1 143.9 32.8 551 402 C L E -C 559 0C 0 8,-3.1 2,-2.2 -2,-0.3 8,-2.1 -0.943 14.8-150.1-117.0 108.5 45.3 140.2 33.5 552 403 C L E +C 558 0C 27 -2,-0.6 6,-0.2 6,-0.2 -9,-0.1 -0.452 28.6 164.0 -78.0 71.1 42.8 139.0 36.0 553 404 C F E S- 0 0 28 -2,-2.2 -1,-0.2 4,-0.8 5,-0.2 0.934 75.8 -7.6 -52.2 -46.1 44.9 136.1 37.4 554 405 C A E > S-C 557 0C 0 3,-1.7 3,-1.7 -3,-0.3 -77,-0.2 -0.917 76.7-103.6-143.8 166.0 42.5 136.0 40.3 555 406 C P T 3 S+ 0 0 59 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.775 128.5 37.1 -65.1 -21.2 39.7 138.2 41.6 556 407 C N T 3 S+ 0 0 47 1,-0.2 -79,-0.1 -4,-0.0 -4,-0.0 -0.020 115.7 58.3-115.9 24.0 42.2 139.5 44.2 557 408 C L E < 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142.9 38.2 567 418 C V S X S- 0 0 16 -3,-1.2 3,-1.5 -4,-0.1 4,-0.5 -0.966 96.5-104.4-124.2 142.7 60.2 139.6 37.0 568 419 C E T 3 S+ 0 0 177 -2,-0.4 -3,-0.1 1,-0.3 -2,-0.1 -0.424 102.6 10.2 -69.9 122.6 62.6 139.0 34.1 569 420 C G T 3> S+ 0 0 32 -2,-0.3 4,-0.9 -4,-0.1 -1,-0.3 0.269 101.6 99.9 98.7 -10.8 61.0 137.5 31.0 570 421 C M H <> + 0 0 10 -3,-1.5 4,-2.9 -6,-0.3 -5,-0.2 0.756 67.3 65.2 -87.3 -19.9 57.5 138.0 32.3 571 422 C V H > S+ 0 0 17 -4,-0.5 4,-2.7 -7,-0.2 -1,-0.2 0.855 99.3 50.9 -71.8 -36.7 56.7 141.2 30.4 572 423 C E H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 114.8 44.8 -61.9 -50.5 56.8 139.6 26.9 573 424 C I H >X S+ 0 0 17 -4,-0.9 4,-2.6 1,-0.2 3,-1.0 0.983 112.8 52.0 -54.0 -61.2 54.5 136.8 28.1 574 425 C F H 3X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.3 -1,-0.2 0.849 108.9 49.8 -42.2 -47.8 52.3 139.4 29.8 575 426 C D H 3X S+ 0 0 52 -4,-2.7 4,-2.7 2,-0.2 -1,-0.3 0.859 110.5 50.3 -65.2 -34.2 52.1 141.4 26.6 576 427 C M H S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.6 0.907 114.4 46.3 -66.8 -41.7 38.8 137.6 22.4 585 436 C R H ><5S+ 0 0 83 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.896 112.0 51.2 -66.0 -41.6 37.1 140.8 23.5 586 437 C M H 3<5S+ 0 0 127 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.2 45.4 -64.2 -33.0 37.3 142.2 20.0 587 438 C M H 3<5S- 0 0 15 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.509 106.1-129.3 -87.1 -7.9 35.7 139.0 18.7 588 439 C N T <<5 - 0 0 111 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.913 30.8-156.3 59.6 43.5 33.1 139.0 21.4 589 440 C L < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.270 6.3-135.5 -54.7 132.1 33.9 135.4 22.2 590 441 C Q > - 0 0 89 -3,-0.1 4,-2.0 1,-0.1 -1,-0.1 -0.487 14.9-119.2 -86.4 160.3 31.0 133.7 23.9 591 442 C G H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.838 114.9 55.4 -68.8 -32.2 31.3 131.5 26.9 592 443 C E H > S+ 0 0 70 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.892 110.2 45.8 -66.1 -39.2 29.9 128.5 25.0 593 444 C E H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.1 -2,-0.2 0.883 110.2 56.4 -69.2 -38.0 32.6 129.0 22.4 594 445 C F H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.976 104.9 48.6 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74.4 -93.5 -15.6 44.6 118.4 20.4 605 456 C S H >< S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 -2,-0.1 0.985 111.6 16.7 -62.2 -66.1 47.7 119.4 22.3 606 457 C G G >< S+ 0 0 0 -4,-0.6 3,-1.9 -79,-0.2 -1,-0.2 0.440 96.2 103.8 -89.7 4.3 49.6 116.2 22.9 607 458 C V G > S+ 0 0 1 1,-0.3 3,-0.5 -4,-0.2 -1,-0.2 0.766 82.4 47.2 -57.3 -27.0 47.7 114.2 20.3 608 459 C Y G < S+ 0 0 19 -3,-0.5 -1,-0.3 -4,-0.4 188,-0.1 0.017 106.6 58.6-104.3 27.7 50.6 114.3 17.8 609 460 C T G < + 0 0 57 -3,-1.9 2,-1.0 187,-0.1 -1,-0.2 0.003 65.7 145.3-138.7 23.4 53.2 113.3 20.4 610 461 C F < - 0 0 13 -3,-0.5 -3,-0.1 1,-0.1 -87,-0.0 -0.599 53.1-130.2 -72.8 101.5 51.7 110.0 21.5 611 462 C L S S+ 0 0 144 -2,-1.0 -1,-0.1 2,-0.1 -3,-0.0 0.661 78.5 51.9 -12.8 -74.6 54.8 107.9 22.2 612 463 C S - 0 0 54 1,-0.1 -2,-0.1 -3,-0.0 0, 0.0 -0.025 55.4-154.2 -72.7 174.6 54.1 104.8 20.2 613 464 C S + 0 0 116 4,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.277 62.1 134.8-133.9 25.8 53.0 104.1 16.6 614 465 C T S > S- 0 0 62 1,-0.1 4,-1.4 4,-0.0 0, 0.0 -0.086 75.4-104.9 -69.5 177.0 51.6 100.9 18.2 615 466 C L H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.901 122.5 60.0 -74.7 -39.5 48.1 99.7 17.3 616 467 C K H > S+ 0 0 131 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 101.2 59.5 -53.4 -38.8 46.8 100.9 20.6 617 468 C S H >> S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.976 103.1 48.9 -48.1 -73.3 48.0 104.3 19.3 618 469 C L H 3X S+ 0 0 85 -4,-1.4 4,-2.3 1,-0.3 5,-0.2 0.841 109.0 50.4 -33.1 -68.1 45.7 104.2 16.3 619 470 C E H 3X S+ 0 0 137 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.857 114.3 46.2 -43.2 -47.5 42.5 103.2 18.1 620 471 C E H X S+ 0 0 13 -4,-2.1 4,-2.7 1,-0.2 3,-0.8 0.942 110.5 53.4 -52.2 -48.8 29.5 125.7 14.1 637 488 C H H 3X S+ 0 0 51 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.911 105.8 53.5 -53.2 -43.7 26.1 124.9 15.7 638 489 C L H 3X S+ 0 0 32 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.3 0.811 113.0 43.8 -60.8 -31.5 26.7 127.7 18.2 639 490 C M H <<>S+ 0 0 1 -4,-1.6 5,-1.8 -3,-0.8 4,-0.3 0.787 109.7 54.8 -83.4 -32.6 27.4 130.1 15.4 640 491 C A H ><5S+ 0 0 46 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.883 109.5 49.1 -67.9 -37.9 24.5 129.0 13.3 641 492 C K H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.841 103.9 59.9 -69.6 -32.8 22.2 129.6 16.2 642 493 C A T 3<5S- 0 0 80 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.520 121.8-103.2 -74.3 -5.6 23.7 133.1 16.8 643 494 C G T < 5 + 0 0 61 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.449 68.4 147.6 101.8 0.6 22.6 134.1 13.3 644 495 C L < - 0 0 55 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.384 47.7-117.7 -71.1 147.1 25.9 134.0 11.4 645 496 C T > - 0 0 71 1,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.185 33.7 -99.3 -73.5 175.6 25.8 133.1 7.7 646 497 C L H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.942 126.4 46.8 -63.0 -47.8 27.6 129.9 6.5 647 498 C Q H > S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.864 113.4 49.5 -62.1 -35.1 30.6 131.8 5.3 648 499 C Q H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 107.4 57.6 -70.4 -35.8 30.6 133.8 8.6 649 500 C Q H X S+ 0 0 17 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.907 111.0 38.4 -62.0 -45.6 30.4 130.5 10.5 650 501 C H H X S+ 0 0 26 -4,-2.0 4,-1.8 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824 458 D V G > S+ 0 0 2 1,-0.3 3,-0.5 -4,-0.2 -1,-0.2 0.759 82.4 47.6 -59.5 -25.4 50.0 139.1 13.8 825 459 D Y G < S+ 0 0 22 -3,-0.5 -1,-0.3 -4,-0.4 -246,-0.1 -0.005 105.8 58.9-105.2 28.9 49.4 139.1 17.6 826 460 D T G < 0 0 61 -3,-1.7 -1,-0.2 -247,-0.1 -2,-0.1 -0.012 360.0 360.0-140.0 23.6 52.8 140.4 18.4 827 461 D F < 0 0 51 -3,-0.5 -3,-0.0 6,-0.0 -87,-0.0 -0.636 360.0 360.0 -75.9 360.0 52.6 143.7 16.4 828 ! 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 0.0 829 464 D S 0 0 130 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 9.2 48.4 149.8 18.9 830 465 D T > - 0 0 94 1,-0.1 4,-0.6 3,-0.0 0, 0.0 0.302 360.0-101.6 -64.0-159.3 48.6 152.9 16.7 831 466 D L H > S+ 0 0 114 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.787 125.5 51.6 -94.6 -41.0 46.0 153.7 14.0 832 467 D K H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 3,-0.1 0.903 107.9 57.0 -57.8 -42.3 48.3 152.5 11.1 833 468 D S H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 105.2 48.4 -55.6 -47.6 48.5 149.4 13.3 834 469 D L H X S+ 0 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499 D Q H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 107.6 56.9 -70.3 -34.6 32.9 117.4 6.4 865 500 D Q H X S+ 0 0 17 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.925 111.0 39.0 -64.0 -46.1 34.1 120.7 5.0 866 501 D H H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.749 112.6 57.2 -80.5 -18.3 34.3 122.5 8.4 867 502 D Q H X S+ 0 0 33 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.920 109.0 44.7 -71.8 -45.5 35.7 119.4 10.2 868 503 D R H X S+ 0 0 35 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.749 111.6 56.1 -67.7 -27.0 38.7 119.1 7.8 869 504 D L H X S+ 0 0 0 -4,-0.9 4,-3.0 2,-0.2 5,-0.3 0.965 108.8 44.5 -68.9 -52.7 39.1 122.8 8.2 870 505 D A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.875 113.7 52.2 -58.3 -39.2 39.4 122.5 11.9 871 506 D Q H X S+ 0 0 34 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.888 112.2 44.3 -64.8 -42.1 41.7 119.5 11.6 872 507 D L H >X S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.911 114.1 48.4 -70.0 -44.2 44.0 121.4 9.2 873 508 D L H 3X S+ 0 0 1 -4,-3.0 4,-0.6 1,-0.2 3,-0.4 0.789 107.2 57.2 -68.5 -25.8 44.1 124.6 11.2 874 509 D L H 3X S+ 0 0 7 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.713 97.9 61.6 -76.6 -18.5 44.8 122.6 14.4 875 510 D I H < S+ 0 0 71 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.940 110.8 55.9 -59.3 -45.1 69.0 126.6 17.3 891 526 D Y H 3< S+ 0 0 212 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 97.4 61.3 -57.6 -35.8 69.5 129.1 20.2 892 527 D S T 3< 0 0 90 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.450 360.0 360.0 -76.2 3.9 71.7 126.8 22.2 893 528 D M < 0 0 118 -3,-1.7 -1,-0.0 -4,-0.2 -4,-0.0 -0.953 360.0 360.0-123.6 360.0 74.4 126.6 19.5 894 ! 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 0.0 895 536 D L >> 0 0 85 0, 0.0 4,-2.9 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -40.8 68.3 138.1 11.5 896 537 D Y H 3> + 0 0 64 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.852 360.0 45.7 -55.5 -31.8 65.7 140.9 11.7 897 538 D D H 3> S+ 0 0 121 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.713 109.8 54.5 -83.7 -20.2 68.3 142.9 9.9 898 539 D L H <> S+ 0 0 95 -3,-0.6 4,-0.7 2,-0.2 -2,-0.2 0.886 111.4 43.2 -78.3 -41.0 69.0 140.0 7.5 899 540 D L H X S+ 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