==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-JAN-10 3LLK . COMPND 2 MOLECULE: SULFHYDRYL OXIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.ALON,D.FASS . 725 6 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 503 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.3 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 . 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 . 29 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 346 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 3 1 0 0 0 0 3 4 2 3 3 0 4 5 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 6 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 1 293 A L 0 0 154 0, 0.0 2,-0.1 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 52.4 -4.2 12.5 8.4 2 294 A A - 0 0 28 97,-0.2 2,-0.9 100,-0.1 98,-0.0 -0.450 360.0-101.8 -78.1 153.2 -6.5 14.8 6.3 3 295 A D > - 0 0 71 1,-0.2 3,-2.6 -2,-0.1 -1,-0.1 -0.657 25.4-158.2 -80.8 103.9 -7.3 18.3 7.5 4 296 A R T 3 S+ 0 0 150 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.621 91.1 58.0 -54.9 -15.8 -10.8 18.2 9.0 5 297 A S T 3 S+ 0 0 37 2,-0.0 -1,-0.3 -3,-0.0 2,-0.2 0.494 100.5 70.2 -94.8 -4.0 -11.0 22.0 8.4 6 298 A K S < S- 0 0 79 -3,-2.6 2,-0.4 229,-0.0 234,-0.2 -0.552 71.1-132.4-109.5 174.3 -10.4 21.8 4.7 7 299 A I E -a 240 0A 8 232,-2.0 234,-3.6 -2,-0.2 2,-0.5 -0.986 20.7-143.8-123.6 132.9 -12.3 20.6 1.6 8 300 A Y E >> -a 241 0A 29 -2,-0.4 4,-1.5 232,-0.2 3,-1.0 -0.888 8.0-145.9-103.9 126.9 -10.4 18.4 -0.9 9 301 A M H 3> S+ 0 0 11 232,-2.4 4,-2.9 -2,-0.5 5,-0.3 0.833 99.9 65.1 -56.6 -30.6 -11.1 18.9 -4.6 10 302 A A H 3> S+ 0 0 20 231,-0.4 4,-1.9 1,-0.2 87,-0.4 0.874 99.9 49.5 -60.5 -40.0 -10.5 15.2 -4.9 11 303 A D H <> S+ 0 0 7 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.920 113.1 47.4 -66.1 -41.6 -13.5 14.4 -2.8 12 304 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.929 114.2 44.3 -66.6 -46.8 -15.7 16.7 -4.8 13 305 A E H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.846 112.4 53.3 -67.3 -33.2 -14.6 15.5 -8.3 14 306 A S H X S+ 0 0 6 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.886 106.0 54.1 -67.6 -37.9 -14.9 11.8 -7.1 15 307 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.957 109.5 47.3 -59.5 -50.4 -18.5 12.6 -6.0 16 308 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.925 112.7 49.8 -55.7 -46.2 -19.3 13.9 -9.5 17 309 A H H X S+ 0 0 18 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.940 112.4 46.2 -58.1 -49.4 -17.6 10.8 -11.0 18 310 A Y H X>S+ 0 0 61 -4,-2.9 4,-2.0 2,-0.2 5,-1.9 0.877 112.1 52.2 -62.6 -40.1 -19.5 8.4 -8.8 19 311 A I H <>S+ 0 0 2 -4,-2.7 5,-3.1 -5,-0.2 6,-0.4 0.972 116.3 37.2 -60.8 -55.3 -22.8 10.2 -9.5 20 312 A L H <5S+ 0 0 6 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.848 127.9 32.3 -68.2 -39.0 -22.6 10.2 -13.3 21 313 A R H <5S+ 0 0 49 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.759 133.3 19.8 -92.2 -29.6 -21.0 6.7 -13.7 22 314 A I T <5S+ 0 0 59 -4,-2.0 4,-0.3 -5,-0.4 -3,-0.2 0.841 125.2 36.0-105.7 -67.7 -22.5 4.8 -10.8 23 315 A E T > > +B 73 0B 90 -2,-0.6 4,-1.2 42,-0.2 3,-1.2 -0.927 40.6 15.1-154.5 176.5 -37.3 9.1 -17.8 32 324 A G H 3> S- 0 0 30 40,-0.6 4,-1.7 -2,-0.3 3,-0.3 -0.178 122.5 -16.1 53.9-141.0 -40.2 10.9 -16.2 33 325 A Q H 3> S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.723 134.1 63.9 -68.1 -24.7 -39.4 12.8 -13.0 34 326 A R H <> S+ 0 0 63 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.930 106.0 44.5 -64.7 -43.8 -36.1 11.0 -12.6 35 327 A L H X S+ 0 0 6 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.894 113.1 51.3 -66.6 -39.5 -34.9 12.5 -15.8 36 328 A V H X S+ 0 0 48 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.935 110.0 49.9 -62.0 -44.5 -36.3 15.9 -14.7 37 329 A A H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.900 110.2 50.7 -60.4 -41.2 -34.5 15.5 -11.4 38 330 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 111.0 48.0 -63.0 -44.7 -31.2 14.7 -13.2 39 331 A K H X S+ 0 0 58 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.862 112.0 48.9 -65.6 -37.1 -31.5 17.8 -15.4 40 332 A K H X S+ 0 0 106 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.888 113.7 46.5 -70.8 -38.1 -32.3 20.1 -12.5 41 333 A F H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.899 112.7 48.5 -70.6 -41.3 -29.3 18.7 -10.5 42 334 A V H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.879 109.5 53.8 -65.8 -36.6 -26.9 18.9 -13.5 43 335 A A H X S+ 0 0 42 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.914 109.7 48.7 -61.8 -42.0 -28.1 22.5 -14.1 44 336 A V H X S+ 0 0 9 -4,-1.8 4,-3.3 2,-0.2 5,-0.4 0.914 112.3 47.8 -64.1 -43.0 -27.3 23.2 -10.4 45 337 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.948 107.1 55.4 -63.2 -48.5 -23.8 21.7 -10.8 46 338 A A H < S+ 0 0 19 -4,-3.0 -1,-0.2 13,-0.2 -2,-0.2 0.847 120.2 33.0 -53.8 -34.1 -23.0 23.5 -14.0 47 339 A K H < S+ 0 0 114 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.863 131.8 24.1 -92.7 -38.8 -23.7 26.8 -12.2 48 340 A Y H < S+ 0 0 13 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.617 82.7 110.4-107.6 -14.9 -22.6 26.2 -8.6 49 341 A F < - 0 0 5 -4,-2.3 2,-2.0 -5,-0.4 10,-0.0 -0.464 69.2-130.8 -63.3 131.1 -20.0 23.4 -8.5 50 342 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.297 50.5 163.1 -79.3 55.7 -16.7 25.1 -7.6 51 343 A G - 0 0 21 -2,-2.0 -42,-0.0 1,-0.1 -2,-0.0 -0.336 43.3-111.4 -84.2 157.7 -14.8 23.4 -10.4 52 344 A R > - 0 0 93 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.327 50.7 -90.8 -70.9 165.4 -11.5 24.0 -12.2 53 345 A P H > S+ 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.862 126.6 47.8 -47.8 -49.4 -11.8 25.3 -15.8 54 346 A L H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.906 115.5 45.7 -62.1 -40.8 -11.8 21.8 -17.4 55 347 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.899 112.7 49.0 -70.1 -40.9 -14.4 20.5 -15.0 56 348 A Q H X S+ 0 0 45 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.886 111.7 49.9 -66.9 -36.0 -16.7 23.5 -15.3 57 349 A N H X S+ 0 0 109 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.880 110.5 51.4 -67.1 -37.6 -16.5 23.3 -19.1 58 350 A F H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.923 110.3 47.4 -64.6 -46.4 -17.3 19.6 -18.8 59 351 A L H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -13,-0.2 0.893 111.9 50.1 -64.2 -39.7 -20.4 20.2 -16.6 60 352 A H H X S+ 0 0 103 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.896 110.7 50.7 -65.5 -38.1 -21.6 23.0 -18.9 61 353 A S H X S+ 0 0 36 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.889 113.7 43.6 -67.5 -38.8 -21.2 20.6 -21.9 62 354 A V H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.919 112.7 53.2 -71.5 -42.1 -23.2 17.8 -20.2 63 355 A N H X S+ 0 0 17 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 111.8 45.1 -56.4 -49.1 -25.8 20.3 -19.0 64 356 A E H X S+ 0 0 54 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.863 109.6 54.7 -65.4 -37.5 -26.3 21.6 -22.6 65 357 A W H X S+ 0 0 21 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.925 110.4 47.1 -61.6 -43.6 -26.4 18.1 -24.0 66 358 A L H < S+ 0 0 1 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.914 108.2 54.8 -62.6 -45.3 -29.2 17.2 -21.6 67 359 A K H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.804 106.7 52.9 -59.6 -30.9 -31.1 20.4 -22.4 68 360 A R H < S+ 0 0 149 -4,-1.6 2,-1.0 -3,-0.2 -1,-0.2 0.798 81.4 96.4 -77.2 -29.6 -31.0 19.5 -26.1 69 361 A Q < + 0 0 30 -4,-1.2 -1,-0.0 -3,-0.5 5,-0.0 -0.484 50.2 179.6 -65.0 101.2 -32.5 16.0 -25.6 70 362 A K + 0 0 205 -2,-1.0 -1,-0.2 3,-0.0 -2,-0.0 0.802 48.6 100.9 -73.7 -30.2 -36.1 16.8 -26.4 71 363 A R S S- 0 0 170 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.086 73.4-134.7 -49.3 166.1 -37.2 13.2 -25.9 72 364 A N S S+ 0 0 115 1,-0.2 -40,-0.6 -41,-0.0 2,-0.4 0.624 89.5 54.5 -99.4 -18.3 -38.8 12.1 -22.6 73 365 A K E -B 31 0B 97 -42,-0.2 -42,-0.2 -38,-0.0 -1,-0.2 -0.965 60.5-174.8-122.6 132.7 -36.7 8.9 -22.3 74 366 A I E -B 30 0B 2 -44,-2.8 -44,-2.6 -2,-0.4 2,-0.1 -0.960 23.0-135.0-127.2 111.3 -32.9 8.8 -22.4 75 367 A P E >> -B 29 0B 43 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.396 16.5-130.6 -62.6 139.4 -31.2 5.4 -22.4 76 368 A Y H 3> S+ 0 0 29 -48,-2.5 4,-3.0 1,-0.2 5,-0.2 0.906 109.1 60.3 -58.6 -37.9 -28.3 5.4 -19.9 77 369 A S H 3> S+ 0 0 84 -49,-0.5 4,-1.6 1,-0.3 -1,-0.2 0.872 104.4 50.2 -56.4 -35.7 -26.1 3.9 -22.6 78 370 A F H <> S+ 0 0 78 -3,-0.7 4,-1.3 2,-0.2 -1,-0.3 0.855 110.9 48.3 -69.8 -37.0 -26.8 7.0 -24.6 79 371 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.866 108.2 55.2 -70.6 -37.0 -25.9 9.2 -21.6 80 372 A K H X S+ 0 0 93 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.869 105.1 52.9 -62.8 -38.3 -22.7 7.2 -21.1 81 373 A T H X S+ 0 0 67 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.885 107.6 51.3 -64.6 -38.4 -21.7 7.9 -24.7 82 374 A A H X S+ 0 0 5 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.864 111.1 47.7 -66.6 -37.5 -22.1 11.6 -24.1 83 375 A L H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 3,-0.2 0.932 113.1 48.0 -67.6 -46.6 -19.9 11.4 -21.0 84 376 A D H ><5S+ 0 0 61 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.910 109.3 53.3 -60.9 -43.5 -17.3 9.5 -22.9 85 377 A D H 3<5S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.9 49.9 -61.3 -31.5 -17.4 12.0 -25.8 86 378 A R T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.214 113.6-122.0 -93.0 14.6 -16.8 14.8 -23.3 87 379 A K T X>5 + 0 0 141 -3,-1.9 4,-2.9 1,-0.1 3,-0.6 0.828 47.6 165.9 49.7 45.9 -13.8 12.9 -21.8 88 380 A E H 3>XS+ 0 0 4 -5,-1.9 4,-3.2 1,-0.2 5,-0.6 0.816 74.3 58.4 -59.7 -29.6 -15.1 12.7 -18.3 89 381 A G H 345S+ 0 0 10 2,-0.2 -1,-0.2 3,-0.2 6,-0.1 0.889 111.6 39.5 -66.4 -39.4 -12.5 10.1 -17.5 90 382 A A H <45S+ 0 0 74 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.921 120.4 45.5 -74.6 -44.3 -9.7 12.5 -18.5 91 383 A V H <5S+ 0 0 20 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.893 134.7 9.5 -66.2 -44.6 -11.4 15.5 -16.9 92 384 A L T <5S- 0 0 18 -4,-3.2 2,-0.3 -5,-0.2 -3,-0.2 0.740 108.3 -88.3-100.2 -89.0 -12.4 13.8 -13.6 93 385 A A < - 0 0 37 -5,-0.6 -1,-0.1 -80,-0.1 -3,-0.1 -0.955 11.3-118.7-179.4 164.9 -10.8 10.3 -13.1 94 386 A K S S+ 0 0 164 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.852 98.5 30.3 -84.8 -40.1 -11.3 6.6 -13.7 95 387 A K S S- 0 0 174 -6,-0.1 -1,-0.2 1,-0.0 -78,-0.1 -0.889 91.3-100.3-122.0 152.2 -11.4 5.5 -10.1 96 388 A V - 0 0 59 -2,-0.3 2,-0.3 -3,-0.1 -85,-0.1 -0.328 29.0-165.7 -69.0 151.2 -12.6 7.4 -7.0 97 389 A N - 0 0 91 -87,-0.4 2,-0.3 -86,-0.1 -83,-0.2 -0.854 4.2-167.9-142.6 100.8 -10.1 9.0 -4.6 98 390 A W + 0 0 36 -2,-0.3 -87,-0.0 1,-0.2 13,-0.0 -0.703 20.0 156.2 -90.4 139.7 -11.3 10.0 -1.2 99 391 A I S > S+ 0 0 62 -2,-0.3 3,-0.9 -91,-0.1 -97,-0.2 0.563 83.3 22.2-123.7 -65.0 -9.1 12.3 1.0 100 392 A G T 3 S+ 0 0 25 1,-0.2 -2,-0.1 -92,-0.1 -98,-0.0 0.585 132.1 47.6 -81.1 -8.3 -11.3 14.1 3.5 101 393 A a T 3 S+ 0 0 2 8,-0.1 9,-2.2 2,-0.1 2,-0.4 0.134 79.0 136.1-116.1 17.9 -13.9 11.3 3.0 102 394 A Q < - 0 0 103 -3,-0.9 2,-0.1 7,-0.1 7,-0.1 -0.531 46.6-142.4 -70.6 117.7 -11.5 8.4 3.4 103 395 A G - 0 0 8 5,-0.5 6,-0.1 -2,-0.4 -2,-0.1 -0.508 17.7-125.3 -79.9 152.6 -13.0 5.7 5.6 104 396 A S S S+ 0 0 57 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.671 105.7 27.1 -67.9 -15.0 -10.7 3.7 8.0 105 397 A E S > S- 0 0 93 1,-0.0 3,-2.4 3,-0.0 -1,-0.1 -0.984 95.0-109.3-143.8 145.5 -12.2 0.7 6.1 106 398 A P T 3 S+ 0 0 130 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 0.787 116.9 52.0 -43.8 -41.2 -13.6 0.5 2.5 107 399 A H T 3 S+ 0 0 131 3,-0.1 2,-0.3 -3,-0.0 88,-0.0 0.592 96.7 86.2 -78.0 -9.3 -17.2 0.2 3.7 108 400 A F S < S- 0 0 24 -3,-2.4 -5,-0.5 86,-0.1 86,-0.1 -0.665 100.7 -31.1 -93.1 148.2 -17.0 3.3 5.9 109 401 A R S S+ 0 0 72 -2,-0.3 2,-0.3 -7,-0.1 -7,-0.1 -0.147 83.2 121.0 50.2-129.4 -17.6 6.8 4.7 110 402 A G S >> S+ 0 0 5 -9,-2.2 4,-2.2 1,-0.2 3,-0.7 -0.532 81.4 8.9 79.0-136.7 -16.6 7.3 1.1 111 403 A F H 3> S+ 0 0 13 -2,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.870 127.1 56.0 -49.1 -49.4 -19.2 8.5 -1.4 112 404 A P H 3> S+ 0 0 48 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.890 110.0 48.0 -52.5 -40.5 -22.0 9.2 1.2 113 405 A a H <> S+ 0 0 26 -3,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.942 111.7 49.0 -65.1 -46.8 -19.5 11.5 2.9 114 406 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.799 107.6 55.8 -64.8 -28.8 -18.6 13.2 -0.4 115 407 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.915 106.6 48.7 -71.0 -43.0 -22.2 13.7 -1.3 116 408 A W H X S+ 0 0 50 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.941 112.9 48.9 -58.7 -48.4 -22.9 15.6 2.0 117 409 A V H X S+ 0 0 29 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.945 112.3 47.8 -58.2 -48.6 -19.9 17.8 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2.1 236 536 A S S X S- 0 0 9 -2,-1.3 3,-1.7 -3,-0.6 4,-0.1 -0.933 76.8-113.7-128.9 152.4 -15.8 28.2 -0.0 237 537 A P G > S+ 0 0 66 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.826 115.5 58.2 -52.1 -35.3 -13.5 27.9 -3.0 238 538 A S G 3 S+ 0 0 113 1,-0.3 -4,-0.1 -5,-0.1 -5,-0.1 0.748 100.7 57.0 -69.7 -22.2 -10.6 29.4 -1.0 239 539 A N G < S+ 0 0 21 -3,-1.7 -232,-2.0 -6,-0.2 2,-0.4 0.286 85.7 104.6 -91.2 10.0 -11.0 26.6 1.6 240 540 A I E < -a 7 0A 21 -3,-1.4 2,-0.6 -234,-0.2 -232,-0.2 -0.795 63.4-144.3 -95.9 133.5 -10.5 23.9 -1.1 241 541 A I E a 8 0A 68 -234,-3.6 -232,-2.4 -2,-0.4 -231,-0.4 -0.864 360.0 360.0 -98.1 119.6 -7.2 22.0 -1.3 242 542 A L 0 0 165 -2,-0.6 -1,-0.1 -234,-0.2 -234,-0.0 0.844 360.0 360.0 -74.0 360.0 -6.3 21.3 -5.0 243 !* 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 0.0 244 295 B D > 0 0 109 0, 0.0 3,-2.0 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0 102.9 -16.6 -0.4 33.8 245 296 B R T 3 + 0 0 155 1,-0.3 208,-0.0 3,-0.0 96,-0.0 0.585 360.0 66.5 -65.7 -9.9 -18.8 2.5 32.6 246 297 B S T 3 S+ 0 0 44 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.431 102.2 57.6 -89.7 -0.1 -21.9 0.3 32.8 247 298 B K S < S- 0 0 93 -3,-2.0 2,-0.3 233,-0.0 238,-0.2 -0.924 73.9-131.7-133.0 157.7 -21.5 0.1 36.5 248 299 B I E -d 485 0D 9 236,-1.9 238,-3.8 -2,-0.3 2,-0.6 -0.793 16.4-139.6-105.9 147.2 -21.4 2.3 39.6 249 300 B Y E >> -d 486 0D 36 -2,-0.3 3,-1.7 236,-0.2 4,-1.4 -0.936 8.2-146.0-112.5 120.5 -18.8 2.2 42.3 250 301 B M H 3> S+ 0 0 12 236,-1.8 4,-2.4 -2,-0.6 5,-0.2 0.788 101.0 68.1 -50.7 -26.8 -19.9 2.7 45.9 251 302 B A H 3> S+ 0 0 24 235,-0.5 4,-2.0 1,-0.2 87,-0.3 0.899 98.9 47.1 -60.9 -42.5 -16.5 4.3 46.3 252 303 B D H <> S+ 0 0 5 -3,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.898 112.0 51.2 -67.0 -39.0 -17.6 7.2 44.1 253 304 B L H X S+ 0 0 0 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.869 112.0 46.0 -66.8 -37.2 -20.9 7.6 46.0 254 305 B E H X S+ 0 0 21 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.851 109.1 53.1 -76.0 -34.3 -19.2 7.7 49.4 255 306 B S H X S+ 0 0 4 -4,-2.0 4,-3.1 83,-0.3 5,-0.2 0.872 107.4 54.3 -67.5 -34.1 -16.5 10.2 48.3 256 307 B A H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.927 108.9 47.4 -63.5 -45.2 -19.3 12.5 47.1 257 308 B L H X S+ 0 0 1 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.927 114.7 46.5 -61.1 -45.6 -20.9 12.3 50.5 258 309 B H H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 5,-0.5 0.912 113.6 47.8 -62.0 -45.5 -17.6 13.0 52.2 259 310 B Y H X>S+ 0 0 25 -4,-3.1 5,-2.2 2,-0.2 4,-1.7 0.869 114.1 48.2 -64.6 -38.8 -16.8 15.9 49.9 260 311 B I H <>S+ 0 0 3 -4,-2.6 5,-2.5 3,-0.2 6,-0.4 0.969 117.3 39.4 -64.9 -54.9 -20.3 17.3 50.4 261 312 B L H <5S+ 0 0 7 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.840 128.8 28.9 -66.0 -38.9 -20.3 17.1 54.2 262 313 B R H <5S+ 0 0 38 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.742 133.2 23.0 -96.7 -28.3 -16.7 18.1 54.8 263 314 B I T X5S+ 0 0 13 -4,-1.7 4,-0.8 -5,-0.5 -3,-0.2 0.869 123.0 37.9-104.5 -64.5 -15.9 20.4 51.9 264 315 B E T >44> +E 314 0E 99 -2,-0.7 4,-1.6 42,-0.2 3,-0.6 -0.906 41.2 17.6-153.6-179.9 -28.2 30.1 58.1 273 324 B G H >> S- 0 0 47 40,-0.8 4,-1.9 -2,-0.3 3,-1.1 0.036 118.8 -17.6 48.9-153.8 -31.3 31.4 56.3 274 325 B Q H 3> S+ 0 0 115 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.830 135.8 62.3 -51.7 -35.9 -32.4 29.8 53.0 275 326 B R H <> S+ 0 0 71 -3,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.906 105.7 44.9 -57.9 -41.9 -29.0 28.1 52.7 276 327 B L H - 0 0 100 -2,-0.0 4,-2.5 1,-0.0 5,-0.3 -0.211 51.0 -78.3 -83.3-177.0 -25.1 0.2 53.1 294 345 B P H > S+ 0 0 94 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.959 128.7 43.0 -50.0 -65.0 -26.0 -0.3 56.8 295 346 B L H >> S+ 0 0 101 1,-0.2 4,-2.2 2,-0.2 3,-1.6 0.944 116.4 46.6 -43.4 -70.1 -23.3 1.8 58.4 296 347 B V H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.856 110.9 51.6 -41.6 -52.5 -23.7 4.7 56.0 297 348 B Q H 3X S+ 0 0 32 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.793 109.5 51.3 -60.9 -28.8 -27.5 4.8 56.1 298 349 B N H > -E 270 0E 53 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.408 24.3-123.8 -64.1 140.1 -21.6 27.4 63.0 317 368 B Y H 3> S+ 0 0 19 -48,-2.9 4,-3.7 1,-0.3 5,-0.2 0.869 110.6 64.3 -54.0 -36.3 -19.9 24.9 60.8 318 369 B S H 3> S+ 0 0 75 -49,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.870 100.5 50.1 -54.6 -40.0 -17.8 23.8 63.8 319 370 B F H <> S+ 0 0 80 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.913 113.5 45.2 -67.5 -39.9 -21.0 22.6 65.5 320 371 B F H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.918 109.9 56.4 -67.0 -41.9 -21.9 20.7 62.4 321 372 B K H X S+ 0 0 91 -4,-3.7 4,-1.9 1,-0.2 -2,-0.2 0.878 105.2 51.2 -55.1 -42.4 -18.4 19.4 62.2 322 373 B T H X S+ 0 0 62 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.893 105.5 54.9 -64.1 -41.3 -18.6 18.0 65.7 323 374 B A H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.924 109.6 48.8 -57.6 -42.7 -21.8 16.2 64.8 324 375 B L H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 6,-0.3 0.848 112.1 48.4 -65.3 -36.1 -19.9 14.6 62.0 325 376 B D H ><5S+ 0 0 57 -4,-1.9 3,-1.9 3,-0.2 -2,-0.2 0.945 110.7 48.0 -71.6 -48.6 -17.0 13.6 64.2 326 377 B D H 3<5S+ 0 0 105 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.947 112.3 49.6 -55.8 -49.2 -19.1 12.1 67.0 327 378 B R T 3<5S- 0 0 44 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.398 115.7-127.2 -71.9 5.2 -21.1 10.1 64.4 328 379 B K T X>5 + 0 0 144 -3,-1.9 4,-2.1 1,-0.1 3,-0.6 0.909 44.8 167.6 48.8 64.5 -17.6 9.1 63.1 329 380 B E H 3> S+ 0 0 70 -2,-0.3 3,-1.9 -91,-0.1 -1,-0.1 0.464 79.8 21.7-126.4 -83.0 -13.1 5.1 40.6 341 392 B G T 3 S+ 0 0 34 1,-0.3 -2,-0.1 -92,-0.1 -94,-0.0 0.633 132.1 49.4 -65.9 -9.2 -15.7 5.4 37.9 342 393 B d T 3 S+ 0 0 1 8,-0.1 9,-2.6 -93,-0.1 2,-0.3 0.110 79.2 136.7-114.6 18.4 -15.2 9.2 38.2 343 394 B Q < - 0 0 97 -3,-1.9 2,-0.1 7,-0.2 7,-0.1 -0.523 46.0-140.1 -71.7 125.5 -11.4 9.2 38.0 344 395 B G - 0 0 6 5,-0.4 6,-0.1 -2,-0.3 -2,-0.1 -0.486 15.7-127.9 -83.8 157.6 -10.0 11.9 35.7 345 396 B S S S+ 0 0 31 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.588 103.1 26.6 -76.7 -10.4 -7.1 11.4 33.4 346 397 B E S > S- 0 0 16 236,-0.0 3,-2.1 3,-0.0 -1,-0.1 -0.981 95.3-105.2-147.9 149.0 -5.7 14.5 35.1 347 398 B P T 3 S+ 0 0 57 0, 0.0 -3,-0.1 0, 0.0 -1,-0.0 0.772 118.1 50.6 -45.7 -36.9 -6.3 15.9 38.6 348 399 B H T 3 S+ 0 0 52 3,-0.1 2,-0.2 246,-0.0 92,-0.1 0.582 96.6 87.5 -82.5 -10.4 -8.5 18.8 37.3 349 400 B F S < S- 0 0 16 -3,-2.1 -5,-0.4 90,-0.1 90,-0.1 -0.601 97.0 -29.1 -92.5 152.4 -10.8 16.5 35.3 350 401 B R S S+ 0 0 71 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.135 83.7 117.0 47.2-128.5 -13.9 14.7 36.4 351 402 B G S > S+ 0 0 7 -9,-2.6 4,-1.9 1,-0.2 3,-0.5 -0.511 83.2 9.3 76.2-133.3 -13.8 13.8 40.1 352 403 B F H > S+ 0 0 12 -2,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.892 127.4 53.8 -52.1 -51.9 -16.4 15.4 42.4 353 404 B P H > S+ 0 0 54 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.881 111.0 49.2 -52.7 -38.3 -18.6 16.9 39.7 354 405 B d H > S+ 0 0 26 -3,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.895 112.0 47.6 -66.6 -41.5 -18.8 13.5 38.1 355 406 B S H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.850 107.5 56.4 -69.7 -33.5 -19.7 11.9 41.4 356 407 B L H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.912 106.5 49.5 -64.9 -44.1 -22.3 14.5 42.2 357 408 B W H X S+ 0 0 51 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.934 110.8 50.0 -58.9 -47.7 -24.2 13.7 39.0 358 409 B V H X S+ 0 0 28 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.908 112.4 48.2 -58.6 -42.2 -24.1 10.0 39.7 359 410 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 110.8 50.0 -63.0 -50.0 -25.5 10.8 43.2 360 411 B F H X S+ 0 0 7 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.916 112.0 47.2 -55.7 -48.9 -28.2 13.0 41.9 361 412 B H H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.923 111.3 51.7 -59.9 -44.1 -29.4 10.4 39.3 362 413 B F H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.871 107.4 53.2 -61.9 -36.6 -29.4 7.7 42.0 363 414 B L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.903 111.4 45.6 -66.0 -40.2 -31.5 9.9 44.3 364 415 B T H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.919 114.7 46.9 -69.6 -42.0 -34.1 10.4 41.6 365 416 B V H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.897 109.6 52.9 -67.6 -40.4 -34.2 6.7 40.6 366 417 B Q H < S+ 0 0 34 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.935 111.7 47.9 -59.4 -43.5 -34.4 5.5 44.2 367 418 B A H >< S+ 0 0 5 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.889 111.8 48.9 -63.6 -40.4 -37.4 7.8 44.6 368 419 B A H 3< S+ 0 0 9 -4,-2.1 2,-0.2 47,-0.3 -1,-0.2 0.705 99.2 67.3 -74.4 -21.3 -39.0 6.6 41.4 369 420 B R T 3< 0 0 114 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.1 -0.181 360.0 360.0 -93.4 42.0 -38.6 2.9 42.3 370 421 B Q < 0 0 148 -3,-0.6 -3,-0.0 -2,-0.2 4,-0.0 -0.741 360.0 360.0-118.7 360.0 -41.1 3.2 45.2 371 ! 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 0.0 372 427 B Q > 0 0 118 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -72.3 -47.5 10.9 52.1 373 428 B E H > + 0 0 88 1,-0.2 4,-1.5 2,-0.2 -3,-0.0 0.803 360.0 59.3 -67.6 -28.2 -44.7 8.9 50.6 374 429 B A H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.797 99.8 56.9 -69.3 -29.4 -45.5 10.6 47.3 375 430 B A H 4 S+ 0 0 50 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.898 104.5 51.1 -68.4 -41.4 -44.8 13.9 49.0 376 431 B K H >< S+ 0 0 106 -4,-1.3 3,-1.2 1,-0.2 4,-0.3 0.880 107.0 55.0 -63.2 -39.5 -41.3 12.9 49.9 377 432 B A H >< S+ 0 0 9 -4,-1.5 3,-1.8 1,-0.3 4,-0.4 0.912 102.3 53.5 -61.9 -47.0 -40.6 11.8 46.3 378 433 B K T 3< S+ 0 0 166 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.283 98.4 71.1 -74.5 15.0 -41.5 15.1 44.7 379 434 B E T <> S+ 0 0 56 -3,-1.2 4,-2.2 2,-0.1 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