==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-MAR-08 3CKD . COMPND 2 MOLECULE: INVASION PLASMID ANTIGEN, SECRETED BY THE MXI-SPA . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A STR. 301; . AUTHOR R.LAM,A.U.SINGER,M.E.CUFF,T.SKARINA,O.KAGAN,R.DILEO,A.M.EDWA . 778 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 80.2 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 . 0 0.0 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 . 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 13 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 508 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 1 1 2 0 0 2 2 5 2 2 1 1 1 1 0 2 0 0 0 2 2 1 0 2 1 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 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 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 1 284 A S > 0 0 68 0, 0.0 4,-0.5 0, 0.0 683,-0.1 0.000 360.0 360.0 360.0 3.7 -1.9 41.7 48.9 2 285 A L H > + 0 0 4 2,-0.2 4,-3.1 3,-0.1 5,-0.3 0.784 360.0 60.0 -98.4 -51.8 -3.1 41.7 45.2 3 286 A A H > S+ 0 0 5 1,-0.2 4,-1.0 2,-0.2 18,-0.1 0.718 105.0 57.8 -47.1 -23.9 -3.8 45.5 45.0 4 287 A D H > S+ 0 0 107 2,-0.1 4,-1.6 3,-0.1 -1,-0.2 0.984 112.2 34.2 -64.9 -65.0 -0.1 45.6 45.8 5 288 A A H < S+ 0 0 8 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.756 115.9 55.8 -67.9 -32.2 1.0 43.5 42.8 6 289 A V H >< S+ 0 0 1 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.952 113.0 41.2 -62.3 -49.7 -1.6 44.8 40.4 7 290 A T H >< S+ 0 0 17 -4,-1.0 3,-1.9 -5,-0.3 -2,-0.2 0.734 93.3 79.2 -77.1 -26.6 -0.6 48.4 40.9 8 291 A A T 3< S+ 0 0 51 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.513 91.3 60.2 -59.8 -1.8 3.2 47.8 41.0 9 292 A W T < S+ 0 0 13 -3,-0.9 -1,-0.3 2,-0.1 41,-0.3 0.665 93.0 73.9 -98.5 -25.4 2.7 47.7 37.2 10 293 A F S < S- 0 0 33 -3,-1.9 2,-0.1 -4,-0.2 37,-0.0 -0.324 97.4 -91.2 -71.5 167.2 1.4 51.3 37.1 11 294 A P > - 0 0 31 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 -0.346 34.6 -98.5 -79.8 167.6 3.9 54.1 37.5 12 295 A E T 4 S+ 0 0 150 1,-0.2 -2,-0.0 2,-0.2 -4,-0.0 0.745 124.5 61.9 -44.8 -31.3 5.0 55.9 40.7 13 296 A N T 4 S+ 0 0 141 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 1.000 110.5 26.5 -57.6 -78.7 2.4 58.4 39.4 14 297 A K T 4 0 0 113 1,-0.2 -2,-0.2 -7,-0.0 -1,-0.1 0.383 360.0 360.0 -83.5 6.4 -0.9 56.5 39.3 15 298 A Q < 0 0 109 -4,-1.4 3,-0.3 2,-0.1 -1,-0.2 0.996 360.0 360.0 -58.5 360.0 -0.1 54.0 42.1 16 ! 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 17 302 A S > 0 0 39 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -32.7 -4.6 50.4 44.4 18 303 A Q T 4 + 0 0 160 -3,-0.3 4,-0.4 1,-0.3 -3,-0.0 0.772 360.0 52.0 -64.8 -29.0 -8.0 51.8 45.6 19 304 A I T 4 S+ 0 0 65 2,-0.1 -1,-0.3 1,-0.1 -16,-0.0 0.750 117.3 40.4 -71.8 -27.5 -9.5 50.6 42.3 20 305 A W T >4 S+ 0 0 13 -3,-0.5 3,-1.2 2,-0.2 4,-0.4 0.676 100.1 64.2-104.4 -19.7 -8.0 47.2 43.1 21 306 A H G >< S+ 0 0 130 -4,-2.8 3,-0.9 1,-0.2 4,-0.2 0.769 96.0 71.9 -60.6 -25.6 -8.6 46.8 46.8 22 307 A A G 3 S+ 0 0 69 -4,-0.4 -1,-0.2 -5,-0.3 3,-0.2 0.722 102.5 35.8 -61.4 -25.7 -12.0 46.9 45.3 23 308 A F G X S+ 0 0 34 -3,-1.2 3,-2.8 1,-0.1 -1,-0.2 0.456 78.2 116.9-108.6 0.3 -11.6 43.5 43.8 24 309 A E T < S+ 0 0 53 -3,-0.9 -1,-0.1 -4,-0.4 -2,-0.1 0.600 80.3 45.5 -55.8 -10.5 -9.6 41.8 46.5 25 310 A H T 3 S+ 0 0 193 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.393 79.3 119.1-114.4 7.0 -12.4 39.2 47.2 26 311 A E S X S- 0 0 73 -3,-2.8 3,-1.3 1,-0.1 4,-0.2 -0.449 82.6 -82.0 -70.8 143.4 -13.4 38.1 43.8 27 312 A E T 3 S+ 0 0 154 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.238 113.7 16.1 -56.4 119.0 -12.9 34.4 43.1 28 313 A H T 3> S+ 0 0 39 -3,-0.1 4,-2.3 42,-0.1 -1,-0.2 0.628 77.6 122.2 96.7 18.6 -9.2 33.7 42.2 29 314 A A H <> S+ 0 0 4 -3,-1.3 4,-2.4 2,-0.2 5,-0.3 0.841 72.9 65.2 -78.0 -33.1 -7.4 36.9 43.3 30 315 A N H > S+ 0 0 104 -4,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.976 112.6 32.2 -36.5 -62.9 -5.3 34.5 45.5 31 316 A T H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.858 115.1 56.3 -77.4 -35.4 -4.0 33.0 42.3 32 317 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 105.9 52.0 -66.4 -40.8 -4.0 36.0 40.0 33 318 A S H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 3,-0.2 0.975 109.0 49.9 -57.0 -54.3 -1.8 38.1 42.3 34 319 A A H X S+ 0 0 3 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.905 107.9 54.7 -50.7 -49.1 0.8 35.3 42.6 35 320 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.895 110.5 44.7 -51.6 -52.2 0.9 35.1 38.8 36 321 A L H >X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.2 3,-0.7 0.985 109.7 54.9 -53.3 -62.0 1.6 38.8 38.4 37 322 A D H 3X S+ 0 0 40 -4,-2.6 4,-1.9 1,-0.3 -2,-0.2 0.863 111.4 47.8 -34.6 -47.0 4.3 38.7 41.2 38 323 A R H 3< S+ 0 0 13 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.873 108.5 52.6 -71.4 -39.5 5.9 36.0 39.2 39 324 A L H X< S+ 0 0 13 -4,-1.9 3,-0.9 -3,-0.7 -1,-0.2 0.901 112.8 42.2 -64.0 -48.9 5.7 37.8 35.9 40 325 A S H 3< S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.891 101.9 71.8 -65.1 -37.8 7.4 41.0 37.1 41 326 A D T 3< 0 0 88 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.174 360.0 360.0 -69.4 21.2 9.9 38.9 39.0 42 327 A T < 0 0 80 -3,-0.9 98,-0.0 -2,-0.2 518,-0.0 -0.985 360.0 360.0-146.4 360.0 11.4 38.0 35.6 43 ! 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 44 335 A G > 0 0 79 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -87.6 7.8 49.4 27.5 45 336 A F H > + 0 0 104 2,-0.2 4,-2.6 1,-0.2 3,-0.4 0.957 360.0 57.1 -63.4 -54.1 6.5 46.0 28.7 46 337 A R H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.862 108.6 46.8 -41.9 -48.1 5.5 47.3 32.1 47 338 A E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 112.6 48.3 -69.8 -37.2 3.3 50.0 30.5 48 339 A Q H X S+ 0 0 143 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.848 108.7 53.5 -71.6 -35.1 1.6 47.6 28.1 49 340 A V H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.853 109.1 51.7 -64.4 -34.6 0.9 45.1 30.9 50 341 A A H X S+ 0 0 11 -4,-1.4 4,-1.3 -5,-0.3 -2,-0.2 0.901 104.8 53.5 -67.3 -42.2 -0.7 48.1 32.6 51 342 A A H X S+ 0 0 44 -4,-1.9 4,-1.4 1,-0.2 3,-0.4 0.911 109.3 51.0 -57.3 -44.4 -2.8 48.9 29.5 52 343 A W H X S+ 0 0 17 -4,-2.2 4,-1.4 1,-0.2 3,-0.4 0.951 107.1 51.9 -53.8 -51.7 -4.0 45.2 29.8 53 344 A L H X S+ 0 0 2 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.742 103.2 62.5 -63.3 -20.2 -4.8 45.7 33.5 54 345 A E H >X S+ 0 0 87 -4,-1.3 4,-2.9 -3,-0.4 3,-0.9 0.937 101.9 46.2 -69.7 -49.3 -6.9 48.7 32.5 55 346 A K H 3X S+ 0 0 75 -4,-1.4 4,-2.4 -3,-0.4 7,-0.2 0.795 108.7 59.7 -64.7 -26.4 -9.4 46.8 30.4 56 347 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.720 110.0 41.0 -71.7 -26.9 -9.5 44.3 33.3 57 348 A S H << S+ 0 0 31 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.854 115.6 52.1 -79.7 -42.4 -10.7 47.2 35.5 58 349 A A H < S+ 0 0 86 -4,-2.9 2,-0.5 1,-0.1 -2,-0.2 0.783 113.2 44.0 -66.5 -35.0 -13.0 48.5 32.7 59 350 A S X - 0 0 30 -4,-2.4 4,-1.0 1,-0.2 -1,-0.1 -0.970 58.3-169.7-117.1 125.1 -14.7 45.1 32.1 60 351 A A H >> S+ 0 0 59 -2,-0.5 4,-2.0 2,-0.2 3,-1.2 0.975 90.2 55.9 -67.4 -56.8 -15.9 42.9 34.9 61 352 A E H 3> S+ 0 0 97 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.840 108.1 49.1 -45.7 -44.0 -16.6 40.0 32.6 62 353 A L H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.837 107.6 55.5 -65.4 -35.6 -13.0 40.0 31.3 63 354 A R H S- 0 0 36 522,-0.4 2,-3.1 -2,-0.3 3,-1.3 0.489 95.9-118.9 61.6 4.2 6.7 24.4 36.2 79 370 A D T 3 - 0 0 13 1,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.131 38.8-105.3 56.1 -25.0 3.3 26.0 37.0 80 371 A R T 3> + 0 0 36 -2,-3.1 4,-2.4 3,-0.1 -1,-0.3 0.962 58.8 167.8 71.7 55.0 3.1 26.7 33.3 81 372 A V H <> S+ 0 0 0 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.930 76.9 46.7 -63.2 -44.3 3.8 30.3 33.7 82 373 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.937 111.5 50.7 -65.9 -47.0 4.3 30.7 29.9 83 374 A L H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 111.9 48.4 -54.9 -46.0 1.1 28.7 29.1 84 375 A T H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.934 109.7 51.1 -60.8 -48.8 -0.8 30.9 31.5 85 376 A W H X S+ 0 0 21 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.949 113.0 46.4 -53.3 -49.2 0.6 34.1 30.0 86 377 A N H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.815 111.0 52.0 -62.8 -34.9 -0.3 33.0 26.5 87 378 A N H X S+ 0 0 53 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.799 104.9 56.8 -73.6 -26.0 -3.8 31.9 27.6 88 379 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 -3,-0.3 -2,-0.2 0.839 109.8 44.9 -75.3 -33.9 -4.4 35.3 29.1 89 380 A R H X S+ 0 0 58 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.945 109.0 54.3 -70.7 -48.7 -3.7 36.9 25.8 90 381 A K H X S+ 0 0 73 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.947 110.9 50.1 -47.2 -50.1 -5.9 34.4 23.9 91 382 A T H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.936 110.7 45.7 -50.8 -56.6 -8.6 35.5 26.3 92 383 A L H X S+ 0 0 26 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.888 111.7 53.5 -59.1 -41.2 -8.1 39.2 25.8 93 384 A L H X S+ 0 0 12 -4,-3.2 4,-3.7 2,-0.2 5,-0.3 0.957 109.6 48.6 -56.1 -51.5 -8.0 38.6 22.0 94 385 A V H X S+ 0 0 50 -4,-2.8 4,-3.1 -5,-0.3 -2,-0.2 0.964 115.4 42.1 -51.8 -62.2 -11.3 36.8 22.2 95 386 A H H X S+ 0 0 32 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.846 116.7 50.8 -54.3 -37.0 -13.0 39.6 24.3 96 387 A Q H X>S+ 0 0 27 -4,-3.1 4,-1.9 -5,-0.3 5,-1.8 0.957 113.3 42.8 -65.9 -52.7 -11.3 42.2 22.0 97 388 A A H <5S+ 0 0 0 -4,-3.7 5,-0.3 1,-0.2 -2,-0.2 0.887 110.3 59.4 -56.0 -40.4 -12.6 40.5 18.9 98 389 A S H <5S+ 0 0 64 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.807 103.9 50.0 -60.3 -35.5 -15.9 40.0 20.7 99 390 A E H <5S- 0 0 109 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.926 124.3-106.3 -65.7 -49.3 -16.2 43.8 21.1 100 391 A G T ><5S+ 0 0 18 -4,-1.9 3,-1.1 -5,-0.1 4,-0.4 0.484 73.5 139.0 133.1 16.5 -15.5 44.3 17.4 101 392 A L T 3 S+ 0 0 12 -5,-0.3 3,-2.5 -6,-0.2 -1,-0.2 0.439 83.2 104.9-110.9 -1.6 -10.8 43.4 14.3 103 394 A D T < S+ 0 0 32 -3,-1.1 3,-0.4 1,-0.3 -2,-0.1 0.893 96.5 25.0 -46.3 -57.4 -14.0 43.6 12.2 104 395 A N T 3 S+ 0 0 169 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.104 126.7 54.7 -99.0 33.8 -12.6 46.0 9.6 105 396 A D X> + 0 0 86 -3,-2.5 4,-1.1 2,-0.1 3,-0.8 -0.051 51.7 145.5-156.4 44.5 -9.1 44.9 10.3 106 397 A T H 3> S+ 0 0 10 -3,-0.4 4,-1.4 1,-0.2 -3,-0.1 0.676 71.1 68.1 -68.1 -12.3 -8.8 41.1 9.9 107 398 A G H 3> S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.936 96.7 51.1 -65.0 -49.2 -5.3 41.6 8.6 108 399 A A H <> S+ 0 0 34 -3,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.880 108.4 53.9 -52.7 -40.3 -4.0 42.7 12.0 109 400 A L H X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.865 101.4 59.3 -64.5 -38.4 -5.6 39.6 13.4 110 401 A L H X S+ 0 0 48 -4,-1.4 4,-2.3 -3,-0.2 -1,-0.2 0.936 108.7 42.9 -59.3 -49.0 -3.7 37.5 10.9 111 402 A S H X S+ 0 0 78 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.970 112.4 52.2 -57.3 -56.5 -0.3 38.7 12.2 112 403 A L H X S+ 0 0 58 -4,-2.2 4,-3.2 1,-0.3 5,-0.2 0.910 109.9 50.2 -50.9 -51.0 -1.3 38.4 15.9 113 404 A G H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.3 0.940 109.1 51.5 -47.1 -55.1 -2.4 34.9 15.3 114 405 A R H X S+ 0 0 90 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.965 112.6 45.7 -47.7 -63.3 1.0 34.2 13.6 115 406 A E H X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.913 114.0 49.0 -35.2 -61.8 2.8 35.6 16.6 116 407 A X H X S+ 0 0 4 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.851 109.3 51.7 -55.4 -43.9 0.6 33.6 19.0 117 408 A F H X S+ 0 0 8 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.942 110.8 48.6 -58.2 -47.8 1.1 30.4 17.1 118 409 A R H X S+ 0 0 19 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.829 111.2 50.2 -64.3 -30.5 4.8 30.9 17.2 119 410 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.860 107.4 54.5 -76.6 -33.9 4.6 31.6 21.0 120 411 A E H X S+ 0 0 65 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.917 111.5 44.2 -63.6 -43.1 2.5 28.5 21.5 121 412 A I H X S+ 0 0 8 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.894 108.8 55.6 -70.0 -44.5 5.2 26.4 19.8 122 413 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.890 104.8 56.3 -57.8 -35.3 8.0 28.1 21.6 123 414 A E H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -1,-0.3 0.916 106.4 48.4 -62.9 -37.3 6.2 27.1 24.8 124 415 A D H X S+ 0 0 71 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.939 111.8 49.0 -69.1 -43.9 6.2 23.4 23.8 125 416 A I H X S+ 0 0 33 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.919 114.2 46.6 -56.7 -43.7 9.9 23.5 23.0 126 417 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.880 108.0 54.1 -70.4 -38.8 10.6 25.2 26.3 127 418 A R H X S+ 0 0 103 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.971 113.4 46.1 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A A H 3< S+ 0 0 83 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.835 94.0 62.7 -52.5 -32.5 -10.1 35.4 -0.2 264 564 A L H 3< 0 0 89 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.950 360.0 360.0 -55.5 -49.3 -12.4 38.4 0.3 265 565 A R << 0 0 142 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.878 360.0 360.0-102.7 360.0 -9.6 40.5 1.8 266 !* 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 0.0 267 285 B L > 0 0 28 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -63.4 24.4 53.7 -4.8 268 286 B A H > + 0 0 4 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.747 360.0 55.2 -54.9 -27.0 20.7 53.8 -4.2 269 287 B D H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.920 104.4 54.1 -72.1 -41.3 20.5 50.5 -6.2 270 288 B A H 4 S+ 0 0 8 2,-0.2 3,-0.3 1,-0.1 -2,-0.2 0.927 116.3 37.9 -53.9 -47.1 23.0 49.0 -3.9 271 289 B V H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-0.2 0.987 108.4 57.3 -69.5 -63.2 20.8 49.9 -0.9 272 290 B T H >< S+ 0 0 15 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.649 91.6 77.5 -49.0 -18.5 17.3 49.3 -2.1 273 291 B A T 3< S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 0.228 87.4 57.6 -79.9 13.6 18.3 45.7 -2.9 274 292 B W T < S+ 0 0 35 -3,-1.5 41,-0.3 2,-0.1 -1,-0.2 0.437 96.5 73.5-118.3 -3.5 18.1 44.7 0.8 275 293 B F S < S- 0 0 21 -3,-1.2 5,-0.0 -4,-0.2 39,-0.0 -0.713 89.2 -97.1-106.5 157.0 14.5 45.7 1.3 276 294 B P - 0 0 87 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 -0.020 44.4-101.3 -59.4-179.7 11.2 44.0 0.1 277 295 B E S > S+ 0 0 167 1,-0.2 3,-0.6 3,-0.1 4,-0.4 0.736 110.3 67.6 -86.1 -24.9 9.6 45.4 -3.1 278 296 B N T 3 S+ 0 0 155 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.535 109.8 36.3 -78.3 -9.3 6.8 47.5 -1.6 279 297 B K T 3 S+ 0 0 80 -3,-0.5 -1,-0.3 -7,-0.1 -4,-0.0 -0.606 90.9 93.4-137.6 74.1 9.2 50.0 -0.1 280 298 B Q S <> S+ 0 0 55 -3,-0.6 4,-1.8 -2,-0.1 -2,-0.1 0.551 74.3 60.6-124.5 -44.5 12.0 50.2 -2.8 281 299 B S T >4 S+ 0 0 103 -4,-0.4 3,-0.9 2,-0.2 -2,-0.1 0.963 110.0 36.0 -52.7 -70.5 10.9 53.1 -5.0 282 300 B D T 34 S+ 0 0 101 1,-0.3 6,-0.3 2,-0.2 5,-0.2 0.910 112.2 62.7 -55.5 -43.2 10.9 56.0 -2.5 283 301 B V T 34 0 0 6 3,-0.2 4,-2.1 4,-0.1 -1,-0.3 0.828 360.0 360.0 -48.9 -40.0 14.0 54.5 -0.7 284 302 B S << 0 0 34 -4,-1.8 4,-2.0 -3,-0.9 3,-0.6 0.796 360.0 360.0 -75.8 360.0 15.7 55.0 -4.0 285 ! 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 0.0 286 304 B I 0 0 95 0, 0.0 4,-0.5 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -44.3 15.9 59.0 0.2 287 305 B W + 0 0 3 -4,-2.1 -3,-0.2 -3,-0.6 -19,-0.1 0.662 360.0 69.8 -88.0 -19.2 19.2 57.5 -0.9 288 306 B H S > S+ 0 0 128 -4,-2.0 3,-2.0 -6,-0.3 -1,-0.2 0.963 98.6 52.0 -47.4 -53.5 19.0 59.4 -4.2 289 307 B A T 3 S+ 0 0 82 -5,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.779 106.8 52.2 -62.7 -28.4 19.6 62.5 -2.1 290 308 B F T 3 S+ 0 0 27 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.160 78.4 109.2 -89.2 14.6 22.7 61.0 -0.4 291 309 B E S < S+ 0 0 76 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.704 79.6 36.8 -73.0 -20.9 24.4 60.0 -3.7 292 310 B H S S+ 0 0 177 -3,-0.4 -1,-0.2 -4,-0.2 5,-0.2 0.722 83.3 125.6-106.4 -22.0 27.3 62.6 -3.8 293 311 B E S > S- 0 0 69 -4,-0.2 3,-1.9 1,-0.1 4,-0.2 0.181 77.2 -63.6 -35.6 146.6 28.2 62.7 -0.1 294 312 B E T 3 S- 0 0 139 1,-0.3 -1,-0.1 2,-0.1 38,-0.1 -0.001 118.3 -5.1 -32.2 130.6 31.9 62.1 0.9 295 313 B H T >> S+ 0 0 74 1,-0.2 4,-1.3 -3,-0.1 3,-0.9 0.275 84.9 139.4 67.0 -11.0 33.1 58.5 0.1 296 314 B A H <> + 0 0 1 -3,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.706 66.5 63.2 -35.6 -32.1 29.6 57.4 -1.0 297 315 B N H >> S+ 0 0 119 -4,-0.2 3,-1.3 2,-0.2 4,-1.1 0.990 100.6 44.9 -60.0 -64.6 31.4 55.6 -3.8 298 316 B T H <> S+ 0 0 65 -3,-0.9 4,-1.5 1,-0.3 -1,-0.2 0.802 109.5 58.9 -56.2 -31.2 33.4 53.1 -1.6 299 317 B F H 3X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.3 0.867 99.2 58.7 -61.8 -40.0 30.3 52.5 0.4 300 318 B S H XX S+ 0 0 32 -4,-1.4 4,-1.6 -3,-1.3 3,-1.0 0.984 105.8 46.1 -52.8 -66.1 28.4 51.3 -2.8 301 319 B A H 3X S+ 0 0 55 -4,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.826 111.0 55.2 -46.9 -41.2 30.9 48.5 -3.5 302 320 B F H 3X S+ 0 0 12 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.865 103.2 52.7 -65.0 -39.8 30.8 47.4 0.1 303 321 B L H < S+ 0 0 165 -4,-1.8 3,-3.2 1,-0.2 4,-0.3 0.974 103.9 52.5 -59.1 -57.3 29.9 42.6 -1.4 306 324 B L H >< S+ 0 0 30 -4,-1.9 3,-1.2 1,-0.3 4,-0.3 0.740 98.8 68.1 -49.3 -27.9 28.0 41.8 1.8 307 325 B S T 3< S+ 0 0 56 -4,-0.8 -1,-0.3 -3,-0.3 3,-0.2 0.529 85.9 68.4 -75.0 -5.4 25.2 40.7 -0.5 308 326 B D T < S+ 0 0 141 -3,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.673 84.7 72.8 -82.2 -18.0 27.4 37.7 -1.7 309 327 B T < 0 0 116 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.771 360.0 360.0 -65.7 -36.8 27.1 36.0 1.8 310 328 B V 0 0 164 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.344 360.0 360.0 -82.8 360.0 23.4 34.9 1.5 311 ! 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 0.0 312 338 B E > 0 0 190 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.7 16.8 41.8 6.4 313 339 B Q H > + 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.865 360.0 51.7 -62.9 -38.7 18.8 42.7 9.6 314 340 B V H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.884 103.9 56.6 -66.6 -38.8 20.8 44.7 7.1 315 341 B A H > S+ 0 0 9 -41,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.966 107.5 48.3 -52.4 -51.3 17.6 46.2 5.9 316 342 B A H X S+ 0 0 34 -4,-2.1 4,-1.3 1,-0.2 3,-0.3 0.920 113.0 48.9 -55.0 -49.0 17.0 47.3 9.6 317 343 B W H >X S+ 0 0 10 -4,-2.5 4,-1.5 1,-0.2 3,-1.1 0.965 105.2 54.3 -52.6 -64.8 20.5 48.8 9.8 318 344 B L H 3X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.3 -1,-0.2 0.733 104.1 58.0 -48.9 -29.0 20.4 50.8 6.5 319 345 B E H >X S+ 0 0 94 -4,-1.4 4,-1.6 -3,-0.3 3,-0.8 0.938 103.2 52.1 -65.5 -46.8 17.2 52.5 7.7 320 346 B K H S+ 0 0 57 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.843 95.2 62.2 -64.4 -34.4 23.4 61.8 8.9 326 352 B E H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 104.7 44.1 -54.4 -46.8 25.9 61.6 11.8 327 353 B L H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.795 112.7 54.3 -74.5 -27.7 25.9 57.8 11.7 328 354 B R H X S+ 0 0 15 -4,-1.3 4,-2.4 -7,-0.3 -2,-0.2 0.840 105.6 51.1 -72.0 -38.7 26.1 57.9 7.9 329 355 B Q H X S+ 0 0 141 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.965 115.1 42.5 -63.5 -50.6 29.2 60.2 7.9 330 356 B Q H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 114.0 52.7 -58.9 -44.4 31.1 57.8 10.3 331 357 B S H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.942 111.1 43.9 -66.1 -46.5 29.9 54.8 8.5 332 358 B F H X S+ 0 0 4 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.920 111.6 55.9 -59.2 -42.8 31.0 55.9 5.1 333 359 B A H < S+ 0 0 44 -4,-2.3 3,-0.4 -5,-0.2 4,-0.2 0.914 109.9 44.9 -59.1 -47.3 34.3 57.1 6.6 334 360 B V H >< S+ 0 0 37 -4,-2.5 3,-3.3 1,-0.2 -2,-0.2 0.991 108.5 55.5 -56.2 -64.5 35.0 53.7 8.0 335 361 B A H 3< S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.650 90.2 76.5 -46.4 -25.2 34.0 51.8 4.8 336 362 B A T 3< 0 0 32 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.717 360.0 360.0 -59.7 -20.6 36.6 53.8 2.9 337 363 B D < 0 0 161 -3,-3.3 -2,-0.1 -4,-0.2 5,-0.1 0.518 360.0 360.0-112.2 360.0 39.2 51.6 4.5 338 ! 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 0.0 339 372 B V 0 0 164 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -84.7 36.8 41.6 4.7 340 373 B A > + 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.266 360.0 88.1 -94.6 3.7 34.1 41.4 7.3 341 374 B L H > S+ 0 0 47 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.979 87.4 47.2 -55.3 -61.3 36.4 43.5 9.4 342 375 B T H > S+ 0 0 13 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.908 112.4 50.5 -48.9 -49.3 34.8 46.6 7.8 343 376 B W H >> S+ 0 0 46 -4,-0.5 4,-2.0 1,-0.2 3,-1.5 0.940 111.0 47.4 -51.6 -55.8 31.3 45.2 8.5 344 377 B N H 3X S+ 0 0 48 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.841 106.1 59.1 -59.0 -37.2 32.2 44.4 12.2 345 378 B N H 3X S+ 0 0 51 -4,-2.8 4,-1.3 1,-0.2 -1,-0.3 0.704 108.3 47.1 -60.7 -22.3 33.6 48.0 12.5 346 379 B L H X>S+ 0 0 39 -4,-2.6 5,-2.3 2,-0.2 4,-1.3 0.939 114.2 45.6 -70.4 -46.6 23.2 54.2 19.8 355 388 B A H 3<5S+ 0 0 0 -4,-2.7 5,-0.4 1,-0.3 3,-0.4 0.886 112.7 52.1 -55.2 -44.2 24.8 54.3 23.3 356 389 B S H 3<5S+ 0 0 24 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.650 112.1 48.8 -62.6 -19.2 25.8 57.9 22.4 357 390 B E H <<5S- 0 0 110 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.626 130.3 -76.8-104.5 -15.8 22.1 58.6 21.5 358 391 B G T ><5S+ 0 0 23 -4,-1.3 3,-1.5 -3,-0.4 4,-0.3 0.179 89.2 123.3 145.8 -15.0 20.2 57.2 24.5 359 392 B L T 3 S+ 0 0 33 -5,-0.4 3,-2.9 -6,-0.3 -1,-0.3 0.483 77.2 114.4-124.2 -6.0 21.8 53.1 27.6 361 394 B D T < S+ 0 0 32 -3,-1.5 3,-0.2 1,-0.3 -2,-0.1 0.599 88.9 41.7 -41.7 -20.4 20.5 56.0 29.7 362 395 B N T 3 S+ 0 0 167 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 -0.035 116.2 51.3-116.4 33.3 18.6 53.6 31.9 363 396 B D X> + 0 0 85 -3,-2.9 4,-2.0 2,-0.0 3,-1.4 -0.214 49.7 163.1-168.8 53.4 21.5 51.0 32.1 364 397 B T H 3> S+ 0 0 20 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.812 79.1 65.9 -56.5 -26.4 24.8 52.5 33.0 365 398 B G H 3> S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.903 104.0 44.4 -58.9 -41.8 25.9 48.9 33.8 366 399 B A H <> S+ 0 0 20 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.863 109.2 57.2 -71.4 -37.3 25.6 48.1 30.1 367 400 B L H X S+ 0 0 0 -4,-2.0 4,-2.9 -7,-0.3 -2,-0.2 0.987 109.2 44.6 -53.1 -60.7 27.3 51.4 29.2 368 401 B L H X S+ 0 0 15 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.874 110.2 57.2 -46.2 -44.6 30.4 50.4 31.3 369 402 B S H X S+ 0 0 71 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.959 110.5 41.1 -56.5 -52.3 30.1 47.0 29.7 370 403 B L H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.884 114.4 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4,-2.8 1,-0.2 -2,-0.2 0.879 110.1 51.7 -62.2 -37.9 37.2 76.7 33.5 462 512 B E H X S+ 0 0 121 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.933 110.4 49.3 -59.1 -44.8 38.0 77.7 37.1 463 513 B X H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.933 111.1 48.1 -67.2 -46.0 40.7 75.1 37.1 464 514 B L H X S+ 0 0 37 -4,-2.9 4,-3.0 3,-0.2 5,-0.4 0.975 114.4 47.7 -47.9 -56.1 42.2 76.3 33.9 465 515 B E H < S+ 0 0 163 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.853 118.3 39.3 -61.4 -40.5 42.0 79.9 35.1 466 516 B N H < S+ 0 0 79 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.730 134.7 12.0 -78.0 -27.9 43.6 79.1 38.5 467 517 B E H X S+ 0 0 70 -4,-2.5 4,-2.5 -3,-0.3 5,-0.3 0.509 89.7 97.5-135.4 -4.2 46.3 76.5 37.4 468 518 B Y H X S+ 0 0 93 -4,-3.0 4,-2.1 -5,-0.5 5,-0.2 0.955 92.7 43.9 -56.6 -49.4 46.9 76.3 33.7 469 519 B S H > S+ 0 0 91 -5,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.887 116.2 43.7 -69.6 -43.8 49.9 78.6 33.7 470 520 B Q H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.960 112.8 54.1 -62.6 -47.7 51.7 77.2 36.8 471 521 B R H X S+ 0 0 64 -4,-2.5 4,-1.9 1,-0.3 -2,-0.2 0.867 109.3 48.2 -52.0 -40.2 51.0 73.6 35.7 472 522 B V H X S+ 0 0 24 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.3 0.834 108.7 54.4 -68.9 -31.1 52.6 74.4 32.3 473 523 B A H X S+ 0 0 56 -4,-1.5 4,-0.8 -3,-0.3 -2,-0.2 0.916 107.9 50.5 -69.1 -39.3 55.6 75.9 34.1 474 524 B D H >X S+ 0 0 101 -4,-2.4 4,-3.1 2,-0.2 3,-1.5 0.956 106.2 51.7 -61.2 -57.6 56.0 72.7 36.1 475 525 B R H 3X S+ 0 0 76 -4,-1.9 4,-1.9 1,-0.3 6,-0.2 0.807 113.3 48.2 -47.3 -38.8 56.0 70.3 33.1 476 526 B L H 3X S+ 0 0 17 -4,-1.3 6,-0.9 2,-0.2 4,-0.9 0.616 110.8 49.2 -82.9 -18.3 58.7 72.5 31.6 477 527 B K H << S+ 0 0 179 -3,-1.5 -2,-0.2 -4,-0.8 -3,-0.2 0.915 113.5 46.5 -80.8 -51.5 60.8 72.6 34.7 478 528 B A H < S+ 0 0 97 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.902 118.7 41.9 -48.0 -48.1 60.6 68.8 35.1 479 529 B S H < S- 0 0 59 -4,-1.9 -1,-0.2 -5,-0.3 -3,-0.2 0.720 98.5-132.4 -82.8 -25.8 61.5 68.3 31.4 480 530 B G S < S+ 0 0 63 -4,-0.9 -3,-0.1 -3,-0.2 -4,-0.1 0.483 72.1 119.7 88.5 7.9 64.2 70.9 31.0 481 531 B L > + 0 0 81 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4,-1.8 -5,-0.2 -2,-0.2 0.920 108.4 56.4 -64.3 -41.4 53.2 70.8 27.7 492 542 B G H >X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 3,-0.7 0.959 110.4 43.6 -43.4 -58.0 50.2 73.0 27.2 493 543 B A H 3X S+ 0 0 62 -4,-1.8 4,-2.4 1,-0.3 -2,-0.2 0.802 106.8 58.7 -72.6 -31.0 48.2 70.1 25.8 494 544 B Q H 3X S+ 0 0 97 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.857 109.8 48.8 -53.6 -36.0 49.4 67.7 28.6 495 545 B V H < S+ 0 0 46 -4,-3.3 3,-0.9 -5,-0.3 -1,-0.2 0.809 105.5 58.9 -54.3 -33.6 28.4 56.4 38.9 513 563 B A H 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.894 92.6 65.8 -65.7 -39.3 28.0 56.6 42.7 514 564 B L T 3< 0 0 92 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.257 360.0 360.0 -64.7 16.7 24.2 57.5 42.3 515 565 B R < 0 0 152 -3,-0.9 -3,-0.0 -151,-0.0 -4,-0.0 -0.898 360.0 360.0-116.3 360.0 23.7 54.0 40.8 516 !* 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 0.0 517 283 C H 0 0 91 0, 0.0 -357,-0.2 0, 0.0 -356,-0.1 0.000 360.0 360.0 360.0 97.3 25.7 31.6 29.0 518 284 C S > - 0 0 25 -359,-0.1 4,-1.9 -358,-0.1 5,-0.1 -0.077 360.0 -77.9-110.7-167.8 28.1 29.8 31.3 519 285 C L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 123.6 54.0 -58.4 -51.3 29.3 29.3 34.8 520 286 C A H > S+ 0 0 6 1,-0.2 4,-3.1 19,-0.2 5,-0.2 0.902 106.5 53.2 -54.0 -47.1 31.5 32.5 34.8 521 287 C D H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.935 112.0 44.6 -51.8 -53.4 28.5 34.6 33.7 522 288 C A H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 117.3 44.6 -58.5 -41.2 26.4 33.3 36.6 523 289 C V H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.911 109.9 54.8 -71.3 -41.3 29.2 33.7 39.2 524 290 C T H >< S+ 0 0 16 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.803 92.2 69.9 -66.2 -33.1 30.3 37.1 38.0 525 291 C A T 3< S+ 0 0 52 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.635 92.1 63.1 -62.8 -12.9 26.8 38.7 38.3 526 292 C W T < S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.2 47,-0.2 0.415 93.9 79.4 -88.4 1.2 27.3 38.4 42.1 527 293 C F S < S- 0 0 8 -3,-2.4 5,-0.1 1,-0.1 43,-0.0 -0.714 91.4 -89.3-114.5 160.4 30.3 40.8 42.1 528 294 C P >> - 0 0 68 0, 0.0 3,-2.3 0, 0.0 4,-0.8 -0.387 50.9-105.1 -63.9 147.4 30.8 44.5 42.1 529 295 C E G >4 S+ 0 0 58 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.772 116.7 56.0 -42.6 -38.4 31.0 45.7 38.5 530 296 C N G 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.665 105.2 49.3 -76.9 -16.9 34.8 46.3 38.7 531 297 C K G X> S+ 0 0 66 -3,-2.3 4,-2.6 1,-0.2 3,-0.5 0.544 81.7 97.3-101.2 -8.8 35.8 42.7 39.8 532 298 C Q H S+ 0 0 12 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.890 110.8 46.9 -68.2 -40.3 36.8 40.7 34.9 534 300 C D H <> S+ 0 0 60 -3,-0.5 4,-2.8 -4,-0.2 -2,-0.2 0.965 115.9 46.2 -64.7 -49.8 39.0 39.0 37.6 535 301 C V H X S+ 0 0 13 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.876 109.5 51.7 -63.6 -42.0 36.2 36.7 38.5 536 302 C S H X S+ 0 0 17 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.902 112.0 49.5 -62.4 -36.3 35.2 35.7 35.0 537 303 C Q H X S+ 0 0 84 -4,-1.7 4,-0.9 2,-0.2 3,-0.4 0.964 113.8 44.5 -63.1 -53.4 38.9 34.9 34.4 538 304 C I H >< S+ 0 0 74 -4,-2.8 3,-1.0 1,-0.2 4,-0.2 0.947 118.5 41.7 -55.3 -55.5 39.1 32.8 37.6 539 305 C W H >< S+ 0 0 2 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.548 99.5 73.1 -76.3 -11.9 35.8 30.9 37.1 540 306 C H H >< S+ 0 0 55 -4,-1.0 3,-1.6 -3,-0.4 -1,-0.3 0.879 89.7 61.1 -65.5 -35.2 36.4 30.4 33.4 541 307 C A T << S+ 0 0 81 -3,-1.0 3,-0.3 -4,-0.9 -1,-0.2 0.678 103.2 51.0 -67.3 -20.7 39.1 27.8 34.3 542 308 C F T X S+ 0 0 19 -3,-0.5 3,-2.1 -4,-0.2 -1,-0.3 0.408 75.8 110.8 -90.1 -1.8 36.4 25.7 36.1 543 309 C E T < S+ 0 0 40 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.744 82.0 39.6 -54.0 -29.0 33.9 25.7 33.1 544 310 C H T 3 S+ 0 0 183 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.487 83.6 121.9-101.3 -2.6 34.3 22.0 32.3 545 311 C E S X S- 0 0 65 -3,-2.1 3,-1.7 1,-0.2 -3,-0.0 -0.187 81.0 -80.1 -55.3 150.3 34.4 20.6 35.9 546 312 C E T 3 S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.338 114.8 11.5 -60.0 133.4 31.7 18.1 36.5 547 313 C H T 3> S+ 0 0 53 -3,-0.1 4,-2.5 46,-0.1 5,-0.3 0.555 80.1 140.7 81.7 11.8 28.3 19.6 37.2 548 314 C A H <> S+ 0 0 5 -3,-1.7 4,-2.5 1,-0.2 -2,-0.1 0.911 70.8 47.2 -50.8 -46.6 29.4 23.1 36.2 549 315 C N H > S+ 0 0 75 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.894 109.5 50.1 -70.4 -41.3 26.0 23.8 34.5 550 316 C T H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 113.5 48.4 -57.6 -44.1 23.7 22.5 37.3 551 317 C F H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.935 110.9 51.4 -64.7 -44.7 25.7 24.7 39.7 552 318 C S H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.948 109.6 47.8 -49.7 -56.7 25.4 27.6 37.3 553 319 C A H X S+ 0 0 3 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.889 108.1 57.7 -58.1 -38.2 21.6 27.2 37.0 554 320 C F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.915 105.9 47.2 -59.1 -44.2 21.4 27.0 40.8 555 321 C L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.901 107.9 58.0 -65.7 -34.5 23.2 30.4 41.3 556 322 C D H X S+ 0 0 23 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.901 105.3 48.8 -59.8 -41.7 20.8 31.9 38.6 557 323 C R H < S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 108.6 55.5 -65.1 -36.3 17.8 30.9 40.7 558 324 C L H < S+ 0 0 9 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.851 109.1 44.0 -68.6 -35.0 19.3 32.4 43.7 559 325 C S H < S+ 0 0 47 -4,-1.8 2,-1.1 1,-0.2 3,-0.3 0.768 94.1 79.3 -83.1 -24.1 19.8 35.9 42.2 560 326 C D S < S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.087 100.9 44.8 -67.9 33.3 16.3 35.8 40.6 561 327 C T S S+ 0 0 39 -2,-1.1 -1,-0.2 -3,-0.4 -520,-0.0 -0.245 86.2 86.0-176.7 78.4 15.3 36.8 44.2 562 328 C V 0 0 50 -3,-0.3 -2,-0.1 1,-0.0 -3,-0.1 0.343 360.0 360.0-138.4 -75.8 17.4 39.6 45.9 563 329 C S 0 0 147 -4,-0.3 -1,-0.0 2,-0.1 -4,-0.0 -0.777 360.0 360.0-107.3 360.0 16.7 43.4 45.6 564 ! 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 0.0 565 333 C T > 0 0 109 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 132.2 20.2 43.6 49.6 566 334 C S H > + 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.814 360.0 62.1 -64.9 -34.0 24.0 44.2 49.0 567 335 C G H > S+ 0 0 38 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 108.1 46.4 -55.1 -41.2 25.1 42.6 52.3 568 336 C F H >> S+ 0 0 40 -3,-0.5 4,-2.2 2,-0.2 3,-0.9 0.975 108.8 51.7 -65.2 -61.4 23.5 39.4 51.0 569 337 C R H 3X S+ 0 0 65 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.930 110.8 52.4 -36.0 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31.9 19.0 46.8 589 357 C S H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.890 111.5 50.9 -61.4 -44.0 29.6 22.0 46.3 590 358 C F H X S+ 0 0 2 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.910 111.4 47.7 -60.6 -41.8 29.1 21.1 42.7 591 359 C A H X S+ 0 0 27 -4,-2.4 4,-3.2 -5,-0.2 -2,-0.2 0.935 108.4 55.6 -67.5 -40.5 28.1 17.5 43.6 592 360 C V H X S+ 0 0 31 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.915 109.2 45.6 -58.2 -44.5 25.8 18.8 46.3 593 361 C A H < S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.895 115.9 46.1 -68.5 -37.4 23.8 20.9 43.9 594 362 C A H < S+ 0 0 25 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 106.5 62.4 -69.6 -31.2 23.7 18.1 41.3 595 363 C D H < S+ 0 0 122 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.760 70.7 112.5 -73.6 -24.1 22.7 15.6 44.0 596 364 C A S < S- 0 0 16 -4,-1.2 2,-0.3 -3,-0.3 7,-0.0 -0.223 80.1-114.5 -42.8 115.6 19.4 17.3 44.9 597 365 C T - 0 0 68 1,-0.1 2,-1.2 6,-0.0 -1,-0.1 -0.483 23.8-133.3 -55.1 120.7 16.7 14.9 43.8 598 366 C E + 0 0 77 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.747 53.1 141.6 -84.3 95.8 14.9 16.8 41.0 599 367 C S S S- 0 0 73 -2,-1.2 -1,-0.2 2,-0.8 3,-0.2 0.868 70.4 -46.8-102.0 -80.4 11.3 16.1 42.2 600 368 C C S S+ 0 0 92 1,-1.2 -522,-0.4 -523,-0.0 2,-0.3 0.557 130.2 30.1-143.4 -39.0 8.6 18.8 41.9 601 369 C E S S- 0 0 41 -524,-0.1 -1,-1.2 59,-0.1 -2,-0.8 -0.751 88.0-124.4 -96.3 165.4 10.1 21.9 43.3 602 370 C D - 0 0 9 -2,-0.3 5,-0.1 -3,-0.2 -6,-0.0 0.490 38.7-126.4 -79.9 -2.5 13.9 21.9 42.6 603 371 C R > + 0 0 58 3,-0.1 4,-2.0 1,-0.1 5,-0.2 0.975 42.1 173.5 47.9 63.6 14.2 22.4 46.4 604 372 C V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.832 76.2 52.4 -62.8 -33.2 16.4 25.5 46.0 605 373 C A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.918 107.7 49.9 -74.5 -42.0 16.2 26.0 49.8 606 374 C L H > S+ 0 0 39 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.922 113.6 46.9 -59.8 -42.9 17.3 22.5 50.6 607 375 C T H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.893 111.1 50.9 -70.6 -42.7 20.2 22.8 48.2 608 376 C W H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.942 112.9 46.3 -57.6 -48.3 21.1 26.2 49.6 609 377 C N H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 113.0 50.2 -62.5 -42.0 21.0 24.7 53.2 610 378 C N H X S+ 0 0 38 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.877 106.3 55.1 -61.6 -40.1 23.0 21.7 52.0 611 379 C L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.909 108.6 48.6 -60.7 -39.4 25.6 24.0 50.4 612 380 C R H X S+ 0 0 43 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 109.6 51.8 -67.9 -40.8 26.1 25.8 53.8 613 381 C K H X S+ 0 0 69 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.908 109.8 50.6 -59.0 -39.3 26.4 22.4 55.5 614 382 C T H X S+ 0 0 20 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.925 109.0 50.5 -64.2 -41.8 29.1 21.5 52.9 615 383 C L H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.941 113.4 46.0 -60.6 -39.8 30.9 24.8 53.6 616 384 C L H X S+ 0 0 7 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.872 109.7 51.7 -77.5 -35.6 30.8 24.1 57.4 617 385 C V H X S+ 0 0 49 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.914 113.9 47.1 -62.5 -37.5 32.0 20.4 57.1 618 386 C H H X S+ 0 0 22 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.922 112.7 46.5 -73.1 -42.9 34.8 21.7 55.0 619 387 C Q H 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