==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 20-APR-07 2PM6 . COMPND 2 MOLECULE: PROTEIN TRANSPORT PROTEIN SEC31; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.GOLDBERG,S.FATH,J.D.MANCIAS,X.BI . 1259 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 853 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 251 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 77 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.4 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 2 1 0 3 7 10 5 0 0 2 2 3 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 2 5 13 13 5 3 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 14 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 1 373 A A 0 0 142 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.9 59.8 30.0 -11.0 2 374 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 561,-0.0 -0.617 360.0-162.4 -88.0 151.5 57.8 33.3 -11.1 3 375 A T - 0 0 64 -2,-0.2 4,-0.2 1,-0.1 3,-0.0 -0.996 20.4-135.2-136.6 143.9 55.8 34.4 -14.1 4 376 A W S S+ 0 0 105 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.933 77.0 9.2 -60.2 -54.4 54.4 37.7 -15.2 5 377 A Y S S+ 0 0 66 1,-0.1 -1,-0.1 417,-0.0 445,-0.0 -0.870 101.4 30.4-135.7 166.1 50.9 36.8 -16.5 6 378 A G + 0 0 29 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.385 59.9 158.5 79.2 -0.4 48.2 34.1 -16.8 7 379 A E - 0 0 86 -4,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.105 48.0 -99.0 -54.6 154.0 48.7 32.0 -13.8 8 380 A P + 0 0 56 0, 0.0 604,-0.2 0, 0.0 -1,-0.1 -0.520 55.1 150.8 -76.6 143.6 45.7 29.9 -12.6 9 381 A S - 0 0 14 350,-0.4 601,-0.1 -2,-0.2 584,-0.0 -0.881 55.6-118.1-174.2 140.0 43.6 31.2 -9.7 10 382 A P - 0 0 0 0, 0.0 13,-1.3 0, 0.0 -1,-0.1 0.799 37.0-158.2 -49.5 -33.0 40.0 31.1 -8.3 11 383 A A - 0 0 3 598,-0.2 351,-0.4 11,-0.2 585,-0.1 0.860 21.4-158.9 51.7 41.0 39.8 34.9 -8.8 12 384 A A - 0 0 1 583,-0.1 2,-0.3 11,-0.1 10,-0.2 -0.051 16.8-179.2 -53.5 147.3 37.0 35.1 -6.2 13 385 A H E -A 21 0A 41 8,-2.1 8,-2.4 594,-0.1 2,-0.3 -0.980 21.5-133.3-146.1 153.2 34.5 37.9 -5.9 14 386 A W E -A 20 0A 27 584,-0.3 2,-0.3 -2,-0.3 6,-0.2 -0.827 26.9-177.2-106.2 149.5 31.6 38.9 -3.7 15 387 A A E >> -A 19 0A 9 4,-2.0 4,-2.4 -2,-0.3 3,-0.9 -0.966 37.6 -63.9-144.7 159.3 28.3 40.1 -5.2 16 388 A F G >4 S+ 0 0 9 349,-0.3 3,-0.6 -2,-0.3 -1,-0.2 0.137 117.5 37.0 -36.0 152.7 24.9 41.4 -4.0 17 389 A G G 34 S- 0 0 1 1,-0.2 -1,-0.2 293,-0.1 301,-0.1 0.518 130.4 -78.3 75.7 3.0 22.8 38.9 -2.0 18 390 A G G <4 S+ 0 0 22 -3,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.907 82.6 161.2 71.2 42.7 26.0 37.6 -0.4 19 391 A K E << -A 15 0A 24 -4,-2.4 -4,-2.0 -3,-0.6 2,-0.5 -0.769 30.6-148.0-100.9 142.1 27.0 35.5 -3.4 20 392 A L E -AB 14 33A 7 13,-3.7 13,-1.5 -2,-0.3 2,-0.5 -0.937 10.5-167.0-113.0 117.5 30.5 34.2 -4.0 21 393 A V E +AB 13 32A 0 -8,-2.4 -8,-2.1 -2,-0.5 2,-0.3 -0.883 20.3 152.3-104.9 131.3 31.8 33.8 -7.6 22 394 A Q E - B 0 31A 46 9,-1.1 9,-2.9 -2,-0.5 2,-0.4 -0.912 41.7-102.2-147.8 173.1 34.9 31.8 -8.3 23 395 A I E - B 0 30A 2 -13,-1.3 7,-0.3 -2,-0.3 -11,-0.1 -0.878 36.6-114.3-107.5 132.6 36.6 29.8 -11.0 24 396 A T > - 0 0 21 5,-3.2 3,-2.4 -2,-0.4 5,-0.3 -0.205 28.7-111.5 -60.4 153.0 36.7 26.0 -10.9 25 397 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 587,-0.0 0.778 117.4 68.8 -55.4 -31.1 40.1 24.3 -10.5 26 398 A D T 3 S- 0 0 88 1,-0.1 -2,-0.1 332,-0.0 -3,-0.0 0.606 106.5-132.8 -65.5 -8.9 39.8 23.0 -14.1 27 399 A G S < S+ 0 0 3 -3,-2.4 332,-2.6 2,-0.1 -1,-0.1 0.576 89.1 81.3 68.3 9.4 40.2 26.7 -14.9 28 400 A K S S+ 0 0 75 330,-0.2 326,-2.8 326,-0.1 327,-0.9 0.317 76.6 72.9-127.6 8.3 37.2 26.5 -17.3 29 401 A G - 0 0 0 -5,-0.3 -5,-3.2 324,-0.2 2,-0.4 -0.935 60.6-142.8-129.7 152.5 34.2 26.8 -15.1 30 402 A V E -BC 23 351A 0 321,-1.4 321,-2.7 -2,-0.3 2,-0.4 -0.898 15.1-165.3-109.7 137.2 32.4 29.5 -13.0 31 403 A S E -BC 22 350A 18 -9,-2.9 -9,-1.1 -2,-0.4 2,-0.4 -0.908 3.4-169.8-131.4 108.9 30.8 28.7 -9.6 32 404 A I E +B 21 0A 12 317,-0.8 2,-0.3 -2,-0.4 -11,-0.2 -0.768 21.1 156.5 -95.4 138.0 28.4 31.0 -7.8 33 405 A T E -B 20 0A 49 -13,-1.5 -13,-3.7 -2,-0.4 -2,-0.0 -0.940 45.0-123.4-151.5 172.0 27.4 30.3 -4.2 34 406 A N - 0 0 91 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.753 37.8-147.4-123.6 81.4 26.1 31.7 -0.9 35 407 A P - 0 0 35 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 -0.018 18.2-111.4 -48.9 147.2 28.7 30.8 1.7 36 408 A K - 0 0 151 5,-0.0 2,-1.0 1,-0.0 5,-0.1 -0.752 30.5-164.7 -86.6 104.9 27.7 30.1 5.3 37 409 A I > - 0 0 23 -2,-0.9 3,-3.4 3,-0.3 591,-0.0 -0.801 21.8-129.6 -96.0 101.3 29.0 32.9 7.4 38 410 A S T 3 S+ 0 0 62 590,-1.4 3,-0.1 -2,-1.0 -2,-0.0 -0.259 97.5 29.0 -48.5 121.5 28.9 31.8 11.0 39 411 A G T 3 S+ 0 0 74 1,-0.2 2,-0.5 233,-0.0 -1,-0.3 -0.018 104.7 86.8 112.9 -29.3 27.1 34.6 12.8 40 412 A L < + 0 0 46 -3,-3.4 2,-0.3 274,-0.0 -3,-0.3 -0.928 49.8 158.7-109.2 124.8 25.0 35.7 9.8 41 413 A E - 0 0 135 -2,-0.5 274,-0.1 -3,-0.1 -5,-0.0 -0.989 46.1-104.9-146.1 132.7 21.7 34.0 9.2 42 414 A S - 0 0 39 -2,-0.3 2,-1.2 273,-0.3 270,-0.1 -0.205 44.8-108.5 -51.6 147.6 18.6 35.1 7.3 43 415 A N > + 0 0 35 1,-0.2 4,-1.5 274,-0.1 -1,-0.1 -0.690 49.3 163.4 -88.2 95.6 15.9 36.1 9.8 44 416 A T H > S+ 0 0 89 -2,-1.2 4,-3.7 2,-0.2 5,-0.4 0.978 71.3 56.2 -72.3 -59.8 13.3 33.4 9.5 45 417 A T H > S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.849 111.7 45.3 -38.6 -48.8 11.4 34.1 12.7 46 418 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.917 115.2 46.1 -65.4 -45.4 10.8 37.7 11.5 47 419 A S H X S+ 0 0 28 -4,-1.5 4,-0.5 -3,-0.2 -2,-0.2 0.906 118.8 42.4 -64.0 -42.0 9.8 36.6 8.0 48 420 A E H X S+ 0 0 102 -4,-3.7 4,-2.2 2,-0.2 6,-0.2 0.795 117.6 44.5 -76.4 -32.0 7.6 33.9 9.4 49 421 A A H X S+ 0 0 4 -4,-2.4 4,-0.7 -5,-0.4 5,-0.4 0.837 107.9 58.7 -81.1 -32.7 6.0 36.0 12.2 50 422 A L H < S+ 0 0 44 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.700 115.8 36.8 -67.5 -19.6 5.6 38.9 9.9 51 423 A K H < S+ 0 0 138 -4,-0.5 -2,-0.2 -5,-0.1 -1,-0.2 0.842 124.5 37.2 -97.2 -47.6 3.4 36.7 7.7 52 424 A T H < S- 0 0 79 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.294 97.1-142.4 -87.2 8.1 1.6 34.6 10.3 53 425 A K < + 0 0 136 -4,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.701 61.2 125.8 32.0 35.9 1.5 37.8 12.5 54 426 A D + 0 0 74 -5,-0.4 4,-0.4 -6,-0.2 -1,-0.2 -0.885 31.5 174.3-119.7 95.3 2.1 35.6 15.6 55 427 A F > + 0 0 8 -2,-0.6 4,-3.9 1,-0.2 5,-0.4 0.248 47.9 110.6 -87.0 14.9 5.1 37.1 17.3 56 428 A K H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 85.7 38.7 -51.7 -53.9 4.7 34.7 20.2 57 429 A P H > S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.957 117.9 48.1 -62.9 -51.1 7.9 32.9 19.2 58 430 A L H > S+ 0 0 2 -4,-0.4 4,-2.4 1,-0.2 3,-0.3 0.927 115.5 45.3 -54.8 -49.0 9.8 36.0 18.2 59 431 A I H X S+ 0 0 4 -4,-3.9 4,-2.6 1,-0.2 -1,-0.2 0.919 112.0 52.2 -61.2 -43.0 8.8 37.7 21.4 60 432 A N H X S+ 0 0 92 -4,-2.6 4,-1.5 -5,-0.4 -1,-0.2 0.764 109.8 51.2 -64.4 -26.3 9.7 34.5 23.3 61 433 A Q H X S+ 0 0 94 -4,-1.9 4,-0.9 -3,-0.3 -2,-0.2 0.957 112.7 41.6 -74.8 -55.0 13.2 34.6 21.6 62 434 A R H < S+ 0 0 27 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.879 115.1 53.1 -59.3 -40.5 14.1 38.2 22.4 63 435 A L H >< S+ 0 0 29 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.2 0.935 108.9 48.0 -61.4 -48.4 12.7 37.7 25.9 64 436 A V H 3< S+ 0 0 106 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.614 124.6 32.2 -69.9 -13.2 14.8 34.6 26.6 65 437 A K T 3< S+ 0 0 177 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.034 86.8 148.4-132.5 27.1 18.0 36.4 25.3 66 438 A V < - 0 0 31 -3,-1.1 3,-0.1 1,-0.1 -3,-0.1 -0.054 35.3-144.6 -58.9 163.1 17.3 40.0 26.3 67 439 A I + 0 0 53 1,-0.3 -1,-0.1 2,-0.0 192,-0.0 0.658 62.0 10.9 -97.8-106.9 20.1 42.4 27.2 68 440 A D S > S- 0 0 27 191,-0.1 4,-1.5 1,-0.1 -1,-0.3 -0.266 80.9-100.2 -75.5 164.6 19.9 45.1 29.9 69 441 A D H > S+ 0 0 136 1,-0.2 4,-1.2 2,-0.2 3,-0.2 0.862 119.4 52.9 -49.6 -48.7 17.0 45.4 32.4 70 442 A V H >> S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.936 104.9 55.4 -55.5 -49.8 15.2 48.2 30.5 71 443 A N H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.872 102.1 59.2 -51.5 -39.7 15.1 46.1 27.3 72 444 A E H 3X S+ 0 0 88 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.3 0.872 101.4 53.3 -59.8 -39.0 13.4 43.3 29.3 73 445 A E H S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.967 126.4 42.8 -57.4 -61.4 -4.1 45.9 22.8 87 459 A E H > S+ 0 0 126 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.941 115.9 46.8 -50.8 -60.0 -7.6 46.9 24.1 88 460 A E H > S+ 0 0 96 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.779 111.2 55.8 -55.8 -28.3 -7.6 44.6 27.1 89 461 A F H X S+ 0 0 24 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.977 102.0 52.0 -69.1 -56.2 -4.1 45.6 27.9 90 462 A L H X S+ 0 0 33 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.648 108.0 58.7 -56.4 -14.1 -4.8 49.4 28.2 91 463 A K H >X S+ 0 0 123 -4,-0.9 3,-1.9 -5,-0.2 4,-1.1 0.977 106.8 39.8 -75.7 -70.3 -7.6 48.4 30.6 92 464 A E H 3< S+ 0 0 148 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.635 118.7 54.9 -54.8 -13.0 -5.7 46.6 33.3 93 465 A A H 3< S+ 0 0 17 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.646 113.0 35.1 -98.1 -17.9 -3.1 49.3 32.8 94 466 A L H << S+ 0 0 20 -3,-1.9 -2,-0.2 -4,-0.6 -3,-0.1 0.324 99.1 84.3-119.2 6.2 -5.2 52.5 33.3 95 467 A A S < S- 0 0 40 -4,-1.1 2,-0.2 1,-0.1 107,-0.1 0.097 78.5 -99.9 -86.1-153.7 -7.7 51.4 36.0 96 468 A F 0 0 66 1,-0.1 -1,-0.1 103,-0.0 -2,-0.1 -0.744 360.0 360.0-127.1 175.9 -7.0 51.5 39.7 97 469 A D 0 0 200 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.104 360.0 360.0 -40.4 360.0 -6.0 49.1 42.5 98 ! 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 99 495 A E 0 0 213 0, 0.0 2,-0.2 0, 0.0 697,-0.2 0.000 360.0 360.0 360.0 123.8 -26.1 60.7 58.5 100 496 A T + 0 0 80 695,-0.1 2,-0.4 696,-0.1 693,-0.1 -0.730 360.0 66.8-114.7 162.7 -29.6 62.1 58.0 101 497 A N + 0 0 101 -2,-0.2 695,-0.1 691,-0.2 694,-0.1 -0.931 40.0 177.4 137.8-108.5 -32.5 63.1 60.4 102 498 A F - 0 0 23 -2,-0.4 -1,-0.1 694,-0.1 694,-0.1 0.789 14.7-154.0 67.9 117.7 -32.4 66.0 62.8 103 499 A Q - 0 0 156 693,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.983 17.1-129.1-123.1 118.5 -35.4 66.8 65.0 104 500 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 696,-0.1 -0.234 30.5-174.0 -62.4 159.0 -35.8 70.4 66.2 105 501 A E - 0 0 160 1,-0.2 717,-0.0 2,-0.1 -2,-0.0 -0.979 31.7 -10.8-158.1 143.4 -36.4 70.9 69.9 106 502 A G S S- 0 0 36 -2,-0.3 -1,-0.2 2,-0.0 716,-0.1 0.213 90.0 -34.3 61.6 178.9 -37.2 73.7 72.4 107 503 A D + 0 0 131 716,-0.1 2,-0.3 714,-0.0 716,-0.2 -0.280 60.4 160.0 -70.2 156.4 -37.2 77.5 72.1 108 504 A F B -d 823 0B 24 714,-1.5 716,-1.1 2,-0.0 2,-0.3 -0.936 16.6-154.1-163.2 174.9 -34.7 79.3 70.0 109 505 A S - 0 0 45 -2,-0.3 2,-1.0 714,-0.2 694,-0.2 -0.977 31.3 -95.0-165.4 151.0 -34.4 82.8 68.4 110 506 A L - 0 0 13 -2,-0.3 2,-0.5 693,-0.1 6,-0.0 -0.542 45.9-169.0 -70.1 102.6 -32.9 84.8 65.6 111 507 A S + 0 0 74 -2,-1.0 4,-0.4 5,-0.0 693,-0.1 -0.837 48.2 11.4 -96.9 125.1 -29.8 86.2 67.3 112 508 A G S > S- 0 0 41 -2,-0.5 4,-1.2 2,-0.1 5,-0.1 -0.075 83.1 -91.1 96.3 161.9 -28.0 89.0 65.4 113 509 A N H > S+ 0 0 128 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.891 118.2 59.3 -77.5 -43.7 -28.8 91.2 62.4 114 510 A I H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.956 108.3 42.6 -49.1 -64.1 -27.2 88.8 59.9 115 511 A E H > S+ 0 0 22 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.945 115.1 50.4 -49.9 -56.1 -29.4 85.9 60.7 116 512 A Q H X S+ 0 0 58 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.883 109.9 49.9 -52.8 -44.2 -32.6 88.0 60.9 117 513 A T H X S+ 0 0 62 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.939 114.2 43.8 -62.4 -47.5 -31.9 89.6 57.5 118 514 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.904 113.3 51.7 -64.0 -43.4 -31.3 86.3 55.7 119 515 A S H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.3 5,-0.3 0.956 108.6 50.2 -58.5 -52.5 -34.3 84.7 57.4 120 516 A K H X S+ 0 0 57 -4,-2.6 4,-2.5 -5,-0.2 6,-0.3 0.937 108.8 54.3 -51.6 -48.4 -36.6 87.5 56.4 121 517 A N H <>S+ 0 0 25 -4,-2.1 5,-2.1 -5,-0.2 -2,-0.2 0.953 107.5 50.3 -48.7 -60.2 -35.3 87.2 52.8 122 518 A L H ><5S+ 0 0 6 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.934 113.2 40.9 -42.2 -79.8 -36.1 83.5 52.7 123 519 A V H 3<5S+ 0 0 15 -4,-1.4 2,-0.8 1,-0.3 -1,-0.2 0.830 104.7 67.1 -39.7 -45.8 -39.7 83.5 53.9 124 520 A S T 3<5S- 0 0 57 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.116 117.8-116.0 -67.5 28.4 -40.3 86.7 51.8 125 521 A G T < 5S+ 0 0 50 -3,-1.0 2,-1.1 -2,-0.8 3,-0.2 0.599 78.3 133.1 45.9 15.5 -39.8 84.2 48.9 126 522 A N >>< + 0 0 54 -5,-2.1 4,-1.6 -4,-0.4 3,-0.6 -0.364 19.1 160.9 -93.1 57.1 -36.7 86.3 48.0 127 523 A I H 3> + 0 0 59 -2,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.711 68.5 60.7 -48.2 -27.2 -34.3 83.3 47.5 128 524 A K H >> S+ 0 0 150 -3,-0.2 4,-1.3 2,-0.2 3,-0.6 0.965 104.4 43.3 -69.8 -52.3 -32.0 85.5 45.5 129 525 A S H <> S+ 0 0 24 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.855 102.8 68.2 -62.5 -36.7 -31.2 88.1 48.2 130 526 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.887 103.5 45.1 -48.8 -44.3 -30.7 85.5 50.9 131 527 A V H <>S+ 0 0 0 -4,-1.4 5,-1.3 -5,-0.3 3,-1.1 0.979 109.3 45.0 -69.3 -57.5 -25.1 85.2 52.9 135 531 A L H 3<5S+ 0 0 20 -4,-3.2 -2,-0.2 1,-0.3 2,-0.2 0.850 102.3 66.1 -55.7 -38.7 -21.9 85.6 50.8 136 532 A E T 3<5S+ 0 0 100 -4,-2.2 -1,-0.3 -5,-0.3 2,-0.3 0.096 111.5 40.7 -74.4 27.8 -21.3 89.1 52.1 137 533 A N T < 5S- 0 0 54 -3,-1.1 2,-0.8 -2,-0.2 0, 0.0 -0.896 108.7 -93.4-158.8 167.5 -20.7 87.3 55.4 138 534 A D T 5S+ 0 0 135 -2,-0.3 3,-0.3 1,-0.2 2,-0.2 -0.160 89.8 114.3 -88.1 45.7 -18.9 84.1 56.0 139 535 A L >< + 0 0 35 -5,-1.3 4,-2.6 -2,-0.8 -1,-0.2 -0.421 27.9 133.4-107.7 51.8 -22.1 82.2 55.8 140 536 A L H > + 0 0 12 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.907 64.7 60.7 -68.1 -45.6 -21.0 80.3 52.7 141 537 A M H > S+ 0 0 29 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.916 112.9 39.7 -47.0 -48.0 -22.2 77.0 54.0 142 538 A E H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.963 109.5 57.2 -68.3 -53.2 -25.7 78.4 54.2 143 539 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.899 110.3 48.3 -43.6 -45.2 -25.4 80.4 50.9 144 540 A M H X S+ 0 0 1 -4,-3.2 4,-1.9 1,-0.2 -1,-0.3 0.897 108.0 53.4 -64.0 -42.5 -24.7 77.0 49.4 145 541 A V H < S+ 0 0 3 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.883 109.4 47.9 -61.8 -41.3 -27.7 75.3 51.1 146 542 A I H >X S+ 0 0 10 -4,-2.6 3,-1.5 1,-0.2 4,-0.6 0.971 113.1 48.2 -62.6 -52.1 -30.1 77.9 49.8 147 543 A A H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.3 -2,-0.2 0.771 98.4 67.8 -58.8 -29.7 -28.7 77.6 46.3 148 544 A L T 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.296 103.6 50.0 -75.7 15.0 -28.9 73.8 46.5 149 545 A D T <4 S+ 0 0 77 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.593 98.5 69.4-124.2 -24.5 -32.6 74.3 46.5 150 546 A S << - 0 0 21 -4,-0.6 -3,-0.0 -3,-0.5 0, 0.0 -0.262 65.9-140.1 -90.7-179.1 -33.3 76.7 43.5 151 547 A N + 0 0 148 -2,-0.1 2,-0.2 -3,-0.0 -1,-0.1 0.635 64.3 118.2-109.9 -31.0 -33.1 76.1 39.8 152 548 A N > - 0 0 93 1,-0.1 4,-3.5 2,-0.1 3,-0.2 -0.175 48.7-164.0 -45.6 104.0 -31.6 79.5 39.0 153 549 A E T 4 S+ 0 0 132 2,-0.2 4,-0.2 1,-0.2 5,-0.2 0.920 82.0 53.7 -59.8 -53.5 -28.3 78.5 37.4 154 550 A R T > S+ 0 0 210 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.835 120.1 36.0 -54.5 -34.8 -26.5 81.9 37.6 155 551 A L H >> S+ 0 0 24 2,-0.2 4,-0.9 1,-0.2 3,-0.6 0.908 111.4 59.6 -81.1 -47.0 -27.2 82.0 41.3 156 552 A K H 3< S+ 0 0 26 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.440 118.8 34.7 -59.6 2.6 -26.8 78.3 41.6 157 553 A E H 3> S+ 0 0 74 -4,-0.2 4,-1.7 -3,-0.2 -1,-0.3 0.497 94.1 80.7-131.3 -19.8 -23.3 79.1 40.3 158 554 A S H << S+ 0 0 33 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.713 99.1 49.5 -63.6 -17.9 -22.5 82.5 41.8 159 555 A V T >X S+ 0 0 0 -4,-0.9 4,-2.0 2,-0.2 3,-1.3 0.860 102.6 56.0 -88.7 -42.2 -21.6 80.5 45.0 160 556 A K H >> S+ 0 0 7 1,-0.3 4,-2.2 2,-0.3 3,-1.3 0.982 108.3 49.1 -52.2 -59.7 -19.3 77.8 43.5 161 557 A N H 3X S+ 0 0 55 -4,-1.7 4,-0.6 1,-0.3 -1,-0.3 0.628 112.0 53.2 -54.5 -12.3 -17.1 80.6 42.0 162 558 A A H <4 S+ 0 0 12 -3,-1.3 4,-0.4 -5,-0.2 -1,-0.3 0.750 107.1 48.6 -93.4 -31.9 -17.3 82.0 45.6 163 559 A Y H X< S+ 0 0 3 -4,-2.0 3,-1.7 -3,-1.3 4,-0.4 0.976 115.8 42.2 -69.3 -58.6 -16.2 78.7 47.3 164 560 A F H >X S+ 0 0 3 -4,-2.2 3,-2.1 1,-0.3 4,-1.4 0.916 98.7 77.1 -53.5 -46.4 -13.2 78.2 45.0 165 561 A A T 3< S+ 0 0 23 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.717 115.6 15.9 -36.7 -32.1 -12.4 81.9 45.2 166 562 A K T <4 S+ 0 0 61 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.198 134.3 36.8-133.6 18.3 -11.0 81.3 48.7 167 563 A Y T X> S+ 0 0 76 -3,-2.1 3,-2.5 -4,-0.4 4,-0.8 0.581 85.0 83.6-138.0 -33.5 -10.4 77.5 49.0 168 564 A G T 3< S+ 0 0 1 -4,-1.4 7,-0.2 1,-0.3 -4,-0.1 0.567 99.4 50.8 -54.5 -5.3 -9.3 76.0 45.7 169 565 A S T 34 S+ 0 0 87 -5,-0.3 -1,-0.3 5,-0.1 3,-0.1 0.543 107.9 47.7-108.4 -13.0 -5.8 77.2 46.8 170 566 A K T <4 S+ 0 0 144 -3,-2.5 2,-0.3 1,-0.2 -2,-0.2 0.302 113.4 49.0-110.1 7.6 -5.7 75.7 50.3 171 567 A S X - 0 0 33 -4,-0.8 4,-2.2 1,-0.1 3,-0.3 -0.930 61.4-152.6-153.1 122.8 -6.9 72.3 49.3 172 568 A S H > S+ 0 0 24 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.871 105.0 51.1 -60.2 -39.3 -5.8 69.9 46.5 173 569 A L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.790 107.4 55.0 -69.0 -26.4 -9.3 68.4 46.3 174 570 A S H > S+ 0 0 0 -3,-0.3 4,-2.7 -7,-0.2 -6,-0.2 0.939 108.1 47.0 -70.1 -46.9 -10.7 71.9 46.1 175 571 A R H X S+ 0 0 17 -4,-2.2 4,-1.0 -8,-0.2 -2,-0.2 0.842 112.1 51.4 -62.7 -35.1 -8.5 72.7 43.0 176 572 A I H >X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 3,-0.6 0.929 109.8 48.8 -68.1 -45.4 -9.5 69.3 41.5 177 573 A L H 3X S+ 0 0 7 -4,-2.2 4,-3.8 1,-0.3 5,-0.3 0.952 104.3 60.3 -57.0 -49.7 -13.2 70.1 42.0 178 574 A Y H 3X S+ 0 0 32 -4,-2.7 4,-1.8 1,-0.2 -1,-0.3 0.821 111.2 41.5 -45.7 -37.3 -12.6 73.5 40.4 179 575 A S H <<>S+ 0 0 5 -4,-1.0 5,-1.8 -3,-0.6 -1,-0.2 0.899 113.2 49.1 -81.1 -44.3 -11.5 71.7 37.3 180 576 A I H ><5S+ 0 0 44 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.917 114.2 50.7 -60.0 -40.9 -14.2 68.9 37.3 181 577 A S H 3<5S+ 0 0 17 -4,-3.8 -2,-0.2 1,-0.3 -1,-0.2 0.981 111.3 43.9 -58.2 -62.1 -16.7 71.7 37.7 182 578 A K T 3<5S- 0 0 115 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.096 112.2-116.8 -76.6 24.9 -15.4 73.9 34.9 183 579 A R T < 5S+ 0 0 200 -3,-1.1 2,-0.3 -2,-0.2 -3,-0.2 0.882 71.2 121.4 39.0 63.9 -15.1 70.9 32.5 184 580 A E < - 0 0 65 -5,-1.8 -1,-0.1 1,-0.1 4,-0.1 -0.966 44.1-176.6-148.7 163.7 -11.3 71.1 32.1 185 581 A V > + 0 0 0 -2,-0.3 4,-2.4 2,-0.1 3,-0.5 0.484 61.8 100.7-134.2 -22.3 -8.1 69.2 32.5 186 582 A D H > S+ 0 0 81 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.809 87.2 50.8 -35.4 -44.6 -5.3 71.7 31.4 187 583 A D H >>S+ 0 0 19 2,-0.2 4,-1.5 3,-0.1 5,-0.6 0.937 115.0 38.2 -64.4 -52.3 -4.7 72.3 35.1 188 584 A L H >>5S+ 0 0 1 -3,-0.5 4,-1.9 1,-0.2 3,-0.8 0.975 113.9 55.6 -63.0 -56.1 -4.3 68.7 36.3 189 585 A V H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.732 118.6 34.5 -48.2 -28.2 -2.5 67.7 33.1 190 586 A E H 3<5S+ 0 0 86 -4,-1.0 -1,-0.2 -5,-0.4 -2,-0.2 0.603 134.6 14.2-108.8 -13.1 0.1 70.4 33.7 191 587 A N H <<5S+ 0 0 29 -4,-1.5 548,-1.4 -3,-0.8 -3,-0.2 0.606 88.1 104.8-135.5 -24.3 0.5 70.6 37.5 192 588 A L B < - 0 0 63 546,-1.7 3,-2.8 1,-0.2 -1,-0.1 -0.140 30.1-129.9 -49.6 126.0 1.8 65.4 40.5 194 590 A V G > S+ 0 0 11 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.666 103.5 72.5 -47.6 -24.0 2.9 62.9 37.9 195 591 A S G 3 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.793 95.5 50.7 -66.5 -29.1 2.6 60.2 40.5 196 592 A Q G X> S+ 0 0 22 -3,-2.8 4,-1.3 1,-0.2 3,-1.3 -0.147 73.8 125.8-100.4 38.1 -1.2 60.5 40.2 197 593 A W H <> + 0 0 13 -3,-1.3 4,-2.2 1,-0.3 5,-0.2 0.918 59.4 68.5 -63.8 -43.2 -1.1 60.2 36.5 198 594 A K H 3> S+ 0 0 66 -3,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.614 105.6 48.9 -52.8 -6.8 -3.6 57.3 36.3 199 595 A F H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 3,-0.5 0.856 105.6 49.0 -97.0 -53.1 -6.0 60.0 37.5 200 596 A I H < S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.3 4,-0.2 0.721 110.3 60.9 -58.2 -17.7 -5.1 62.8 35.0 201 597 A S H >X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 3,-1.1 0.919 103.6 44.2 -74.7 -46.6 -5.6 59.8 32.7 202 598 A K H 3X S+ 0 0 59 -4,-0.5 4,-1.2 -3,-0.5 -2,-0.2 0.728 106.4 62.4 -71.4 -22.5 -9.3 59.3 33.7 203 599 A A H 3X S+ 0 0 4 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.558 105.4 47.2 -79.6 -8.4 -9.9 63.0 33.6 204 600 A I H <> S+ 0 0 1 -3,-1.1 4,-2.0 -5,-0.2 -2,-0.2 0.829 113.3 44.5 -96.3 -44.7 -9.2 63.0 29.9 205 601 A Q H < S+ 0 0 87 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.745 117.8 50.2 -69.2 -22.5 -11.3 59.9 29.0 206 602 A N H < S+ 0 0 65 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.887 116.0 35.6 -83.3 -44.4 -14.0 61.5 31.2 207 603 A L H < S+ 0 0 48 -4,-0.8 -2,-0.2 1,-0.2 3,-0.1 0.753 126.8 37.1 -82.9 -26.8 -14.1 65.0 29.8 208 604 A Y >< + 0 0 44 -4,-2.0 3,-1.1 1,-0.1 -1,-0.2 -0.311 67.6 139.8-121.0 48.5 -13.5 64.1 26.1 209 605 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.642 82.3 32.7 -67.4 -12.9 -15.3 60.8 25.7 210 606 A N T 3 S+ 0 0 146 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.078 106.1 72.2-130.5 24.5 -16.6 61.8 22.2 211 607 A D <> + 0 0 69 -3,-1.1 4,-2.2 1,-0.1 3,-0.3 -0.691 52.5 174.2-141.7 81.8 -13.7 64.0 20.9 212 608 A I H > S+ 0 0 88 -2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.818 74.0 60.4 -59.2 -40.0 -10.8 61.7 20.1 213 609 A A H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 114.5 37.1 -57.2 -44.8 -8.5 64.3 18.5 214 610 A Q H > S+ 0 0 58 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.879 111.7 59.9 -73.3 -40.7 -8.5 66.2 21.7 215 611 A R H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.886 113.0 39.3 -54.3 -41.6 -8.5 63.1 23.9 216 612 A N H X S+ 0 0 34 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.755 108.1 59.7 -84.0 -24.8 -5.2 62.1 22.3 217 613 A E H X S+ 0 0 111 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.902 113.8 40.5 -68.5 -36.0 -3.7 65.5 22.1 218 614 A M H X S+ 0 0 6 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.932 111.0 53.9 -75.1 -49.5 -4.0 65.6 25.9 219 615 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.901 113.0 47.3 -51.2 -40.5 -3.0 62.0 26.5 220 616 A I H X S+ 0 0 30 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.962 104.9 57.0 -64.1 -54.0 0.1 62.8 24.5 221 617 A K H X S+ 0 0 75 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.793 112.2 45.5 -49.0 -29.3 0.8 66.1 26.4 222 618 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 3,-0.4 0.931 105.8 56.2 -81.2 -49.7 0.8 63.9 29.5 223 619 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 5,-0.3 0.909 106.3 53.0 -47.5 -47.8 3.0 61.1 28.2 224 620 A D H X S+ 0 0 58 -4,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.899 109.8 48.6 -54.9 -43.4 5.7 63.7 27.4 225 621 A R H < S+ 0 0 32 -4,-0.9 4,-0.2 -3,-0.4 -1,-0.2 0.908 112.2 48.0 -66.0 -43.1 5.5 64.9 31.0 226 622 A L H ><>S+ 0 0 0 -4,-2.7 3,-3.1 1,-0.2 5,-2.5 0.992 113.1 45.7 -58.8 -64.7 5.8 61.3 32.4 227 623 A K H ><5S+ 0 0 62 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.806 113.1 52.0 -49.2 -33.9 8.7 60.3 30.3 228 624 A E T 3<5S+ 0 0 155 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.465 112.4 47.2 -85.1 -0.4 10.4 63.6 31.1 229 625 A N T < 5S- 0 0 82 -3,-3.1 -1,-0.2 -4,-0.2 -2,-0.1 -0.356 129.5 -80.5-135.7 52.0 9.9 63.0 34.8 230 626 A G T < 5S+ 0 0 75 -3,-0.6 2,-1.0 1,-0.1 3,-0.2 0.379 98.9 112.4 70.3 -3.4 11.0 59.5 35.4 231 627 A H >< + 0 0 51 -5,-2.5 4,-1.5 -6,-0.2 -3,-0.1 -0.652 28.4 144.2-104.2 78.5 7.9 57.7 34.2 232 628 A R H > S+ 0 0 34 -2,-1.0 4,-1.6 2,-0.2 5,-0.2 0.978 70.3 47.0 -74.8 -63.0 9.3 56.0 31.1 233 629 A Q H > S+ 0 0 48 1,-0.2 4,-1.0 -3,-0.2 -1,-0.1 0.863 117.2 46.4 -48.5 -42.0 7.4 52.7 31.2 234 630 A D H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.880 103.3 58.6 -71.8 -41.1 4.1 54.6 31.9 235 631 A S H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.816 104.7 55.3 -59.2 -28.0 4.5 57.3 29.2 236 632 A L H X S+ 0 0 2 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.894 104.2 52.7 -71.0 -38.9 4.7 54.5 26.7 237 633 A T H X S+ 0 0 12 -4,-1.0 4,-0.9 -3,-0.2 -2,-0.2 0.936 110.9 46.5 -61.1 -46.2 1.3 53.1 28.0 238 634 A L H >X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.914 113.7 48.7 -61.7 -43.7 -0.3 56.6 27.5 239 635 A Y H >X>S+ 0 0 4 -4,-2.1 5,-1.5 1,-0.2 4,-1.3 0.923 105.0 58.5 -61.1 -45.3 1.3 56.8 24.0 240 636 A L H 3<5S+ 0 0 3 -4,-3.1 53,-0.3 1,-0.3 -1,-0.2 0.747 111.5 43.2 -55.8 -25.0 0.1 53.3 23.2 241 637 A A H <<5S+ 0 0 25 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.609 110.6 53.1 -96.2 -17.6 -3.4 54.6 23.9 242 638 A A H <<5S- 0 0 8 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.2 0.526 107.1-125.2 -93.1 -7.0 -3.0 57.9 22.0 243 639 A G T <5 + 0 0 22 -4,-1.3 2,-0.6 -5,-0.2 3,-0.2 0.888 60.1 145.7 65.9 38.9 -1.8 56.1 18.9 244 640 A S >>< + 0 0 17 -5,-1.5 4,-1.3 1,-0.2 3,-1.0 -0.638 13.6 163.6-110.7 74.1 1.4 58.0 18.7 245 641 A L H 3> S+ 0 0 17 -2,-0.6 4,-2.8 1,-0.3 5,-0.2 0.820 73.8 68.2 -56.3 -31.3 4.0 55.5 17.4 246 642 A D H 3> S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.874 98.2 48.1 -57.7 -41.9 6.1 58.6 16.6 247 643 A K H <> S+ 0 0 71 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.927 114.1 45.9 -66.3 -44.9 6.7 59.4 20.3 248 644 A V H X S+ 0 0 1 -4,-1.3 4,-2.2 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0.884 104.1 59.6 -57.1 -38.5 -11.3 62.6 43.1 751 516 C K H 3X S+ 0 0 57 -4,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.837 107.4 48.1 -58.4 -30.4 -11.2 58.9 41.9 752 517 C N H <<>S+ 0 0 24 -4,-1.2 5,-3.8 -3,-1.1 -1,-0.2 0.833 109.7 52.4 -77.7 -34.4 -15.0 59.1 42.1 753 518 C L H ><5S+ 0 0 3 -4,-1.7 3,-1.2 3,-0.2 5,-0.2 0.970 116.4 34.9 -66.5 -57.3 -15.3 62.4 40.2 754 519 C V H 3<5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.917 109.8 63.3 -65.2 -44.1 -13.2 61.5 37.1 755 520 C S T 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.459 116.7-120.5 -60.6 6.1 -14.5 57.9 37.2 756 521 C G T < 5S+ 0 0 48 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.2 0.913 75.1 133.2 53.1 44.2 -17.8 59.7 36.6 757 522 C N >< + 0 0 52 -5,-3.8 4,-1.6 1,-0.1 3,-0.3 -0.423 16.7 157.2-120.4 53.6 -19.1 58.2 39.8 758 523 C I H > + 0 0 59 -5,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.805 65.2 65.3 -49.3 -37.0 -20.5 61.4 41.3 759 524 C K H >> S+ 0 0 149 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.974 107.2 37.5 -51.8 -64.6 -22.9 59.4 43.5 760 525 C S H 3> S+ 0 0 36 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.794 107.7 65.9 -60.4 -30.5 -20.2 57.8 45.6 761 526 C A H 3X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.905 102.5 49.0 -58.7 -40.1 -18.0 60.9 45.6 762 527 C V H S+ 0 0 0 -4,-1.9 5,-2.1 -5,-0.2 -1,-0.2 0.853 114.4 42.4 -57.5 -33.1 -17.3 63.6 51.3 766 531 C L H <5S+ 0 0 34 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.924 106.0 55.4 -79.9 -50.8 -20.0 63.1 54.0 767 532 C E H <5S+ 0 0 147 -4,-3.0 2,-0.3 -5,-0.1 -1,-0.2 0.723 114.8 51.8 -57.1 -16.7 -18.7 60.1 55.9 768 533 C N T <5S- 0 0 61 -4,-1.2 2,-1.8 -5,-0.3 0, 0.0 -0.850 112.3-105.1-111.4 151.3 -15.7 62.3 56.2 769 534 C D T 5S+ 0 0 123 -2,-0.3 2,-1.1 1,-0.2 3,-0.2 -0.051 78.6 127.9 -75.1 43.8 -16.5 65.8 57.5 770 535 C L >< + 0 0 32 -5,-2.1 4,-2.2 -2,-1.8 -1,-0.2 -0.514 23.5 152.2 -96.3 66.0 -16.0 67.3 54.1 771 536 C L H > + 0 0 17 -2,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.967 66.7 46.5 -62.5 -64.3 -19.3 69.2 54.0 772 537 C M H > S+ 0 0 31 1,-0.2 4,-3.7 -3,-0.2 5,-0.3 0.930 112.5 57.8 -43.8 -49.4 -18.7 72.2 51.7 773 538 C E H > S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.934 105.9 44.7 -44.5 -65.3 -17.1 69.6 49.4 774 539 C A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.877 116.8 49.2 -50.2 -40.3 -20.2 67.4 49.1 775 540 C M H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.972 106.8 51.4 -65.2 -56.1 -22.2 70.6 48.6 776 541 C V H < S+ 0 0 3 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 116.1 46.9 -49.1 -35.2 -20.0 72.1 45.9 777 542 C I H >< S+ 0 0 12 -4,-2.2 3,-1.7 -5,-0.3 4,-0.4 0.972 112.7 42.9 -73.2 -56.9 -20.4 68.8 44.2 778 543 C A H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.3 5,-0.2 0.785 102.2 70.6 -60.1 -29.3 -24.1 68.1 44.4 779 544 C L T 3< S+ 0 0 2 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.391 101.1 48.3 -69.0 4.3 -24.7 71.8 43.5 780 545 C D T < S+ 0 0 71 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.441 101.3 75.3-119.7 -12.6 -23.4 70.6 40.0 781 546 C S < - 0 0 21 -3,-1.3 0, 0.0 -4,-0.4 0, 0.0 -0.551 66.2-148.0 -97.7 168.0 -25.6 67.6 39.7 782 547 C N + 0 0 140 -2,-0.2 2,-0.2 -3,-0.0 -1,-0.1 0.034 60.0 120.4-122.2 22.2 -29.3 67.5 38.9 783 548 C N > - 0 0 81 -5,-0.2 4,-0.5 1,-0.2 -2,-0.1 -0.615 44.8-165.1 -83.3 146.7 -30.0 64.4 41.0 784 549 C E H > S+ 0 0 150 -2,-0.2 4,-1.5 2,-0.2 5,-0.3 0.881 80.5 54.5 -99.1 -61.0 -32.5 64.9 43.8 785 550 C R H 4 S+ 0 0 228 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.771 122.9 36.4 -46.0 -26.6 -32.3 62.0 46.2 786 551 C L H >> S+ 0 0 22 2,-0.2 4,-1.4 1,-0.1 3,-1.3 0.904 107.1 62.6 -89.2 -55.2 -28.6 62.9 46.3 787 552 C K H 3< S+ 0 0 35 -4,-0.5 4,-0.3 1,-0.3 -2,-0.2 0.614 112.5 42.2 -46.1 -14.3 -28.9 66.7 46.1 788 553 C E T 3X S+ 0 0 76 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.679 96.1 71.4-106.9 -26.8 -30.8 66.4 49.4 789 554 C S H <> S+ 0 0 45 -3,-1.3 4,-0.9 -4,-0.5 -2,-0.2 0.854 101.7 51.1 -57.4 -32.3 -28.7 63.8 51.2 790 555 C V H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.888 109.4 50.1 -70.9 -40.1 -26.2 66.7 51.5 791 556 C K H > S+ 0 0 12 -4,-0.3 4,-1.9 -5,-0.3 3,-0.3 0.945 107.4 50.8 -64.8 -50.6 -28.9 68.9 52.9 792 557 C N H X S+ 0 0 36 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.757 109.1 53.8 -60.3 -24.6 -30.1 66.5 55.6 793 558 C A H X S+ 0 0 12 -4,-0.9 4,-0.8 -5,-0.3 -1,-0.2 0.880 105.5 53.2 -75.8 -39.0 -26.4 66.1 56.6 794 559 C Y H X S+ 0 0 2 -4,-1.6 4,-0.8 -3,-0.3 3,-0.3 0.875 113.6 42.7 -61.1 -40.8 -26.1 69.9 57.0 795 560 C F H >X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 3,-0.7 0.920 103.0 66.4 -71.9 -46.9 -29.2 70.0 59.3 796 561 C A H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.694 118.5 21.3 -50.7 -23.9 -28.2 67.0 61.3 797 562 C K H 3< S+ 0 0 52 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.433 131.6 35.2-128.8 1.2 -25.2 68.7 62.8 798 563 C Y H XX S+ 0 0 76 -4,-0.8 4,-1.4 -3,-0.7 3,-0.7 0.561 94.9 79.0-126.1 -19.7 -25.7 72.5 62.4 799 564 C G T 3< S+ 0 0 2 -4,-2.2 7,-0.4 -5,-0.3 -3,-0.1 0.811 99.6 43.7 -61.0 -33.3 -29.4 72.9 63.0 800 565 C S T 34 S+ 0 0 95 -5,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.584 116.3 49.8 -86.8 -12.7 -29.1 72.6 66.7 801 566 C K T <4 S+ 0 0 146 -3,-0.7 2,-0.4 1,-0.2 -2,-0.2 0.557 112.8 41.5-102.8 -11.5 -26.0 74.9 66.7 802 567 C S X - 0 0 32 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 -0.982 57.9-153.9-141.8 128.5 -27.3 77.8 64.6 803 568 C S H > S+ 0 0 22 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.967 104.0 52.0 -61.1 -50.1 -30.7 79.5 64.6 804 569 C L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.862 108.8 52.0 -53.2 -37.3 -30.2 80.5 61.0 805 570 C S H > S+ 0 0 0 -7,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.964 109.0 49.5 -63.6 -50.6 -29.5 76.9 60.3 806 571 C R H X S+ 0 0 17 -4,-2.5 4,-1.4 -7,-0.4 -2,-0.2 0.862 108.8 51.8 -56.6 -41.6 -32.7 75.8 62.0 807 572 C I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.972 107.3 54.2 -59.8 -51.3 -34.8 78.4 60.1 808 573 C L H X S+ 0 0 7 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.829 101.2 62.1 -49.9 -37.8 -33.3 77.0 56.9 809 574 C Y H X S+ 0 0 24 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.944 105.8 42.2 -54.3 -56.0 -34.4 73.5 57.9 810 575 C S H <>S+ 0 0 3 -4,-1.4 5,-2.5 -3,-0.5 4,-0.2 0.880 115.6 49.0 -62.3 -41.5 -38.1 74.4 57.9 811 576 C I H ><5S+ 0 0 47 -4,-1.9 3,-2.4 3,-0.2 -2,-0.2 0.985 111.9 48.3 -62.2 -55.6 -38.0 76.3 54.7 812 577 C S H 3<5S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 116.8 43.6 -50.6 -39.4 -36.1 73.6 53.0 813 578 C K T 3<5S- 0 0 107 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.343 112.6-122.3 -91.4 6.3 -38.6 71.1 54.3 814 579 C R T < 5S+ 0 0 205 -3,-2.4 2,-0.3 -4,-0.2 -3,-0.2 0.920 70.3 113.7 52.5 55.0 -41.5 73.4 53.5 815 580 C E < - 0 0 65 -5,-2.5 -1,-0.2 1,-0.1 -2,-0.1 -0.842 46.0-170.1-140.3 175.9 -43.0 73.6 57.0 816 581 C V > + 0 0 7 -2,-0.3 4,-3.1 -3,-0.1 5,-0.3 0.336 58.8 105.8-148.3 -5.3 -43.5 76.2 59.7 817 582 C D H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.910 84.9 50.1 -44.5 -51.9 -44.6 74.1 62.7 818 583 C D H >>S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 5,-1.0 0.917 114.0 43.4 -55.8 -48.9 -41.2 74.6 64.3 819 584 C L H 45S+ 0 0 3 3,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.850 116.2 48.3 -66.3 -36.0 -41.2 78.4 63.8 820 585 C V H <5S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.1 -1,-0.2 0.859 122.3 34.7 -71.1 -36.3 -44.8 78.7 64.9 821 586 C E H <5S+ 0 0 105 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.854 134.2 12.5 -89.9 -39.4 -44.2 76.5 68.0 822 587 C N T <5S+ 0 0 22 -4,-3.3 -714,-1.5 -5,-0.3 -3,-0.2 0.652 88.4 108.2-117.2 -21.5 -40.6 77.4 69.2 823 588 C L B - 0 0 60 -716,-1.1 3,-2.8 1,-0.2 -1,-0.2 -0.222 33.0-132.7 -50.2 122.8 -39.0 83.5 69.7 825 590 C V G > S+ 0 0 9 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.509 103.8 70.8 -56.0 -3.3 -42.4 85.1 70.1 826 591 C S G 3 S+ 0 0 80 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.748 93.7 51.6 -86.4 -27.6 -40.5 88.4 69.4 827 592 C Q G X> S+ 0 0 19 -3,-2.8 3,-2.7 1,-0.2 4,-1.3 0.082 71.8 128.4 -95.8 23.1 -40.0 87.5 65.8 828 593 C W H <> + 0 0 16 -3,-0.5 4,-3.3 1,-0.3 5,-0.3 0.843 64.4 62.7 -49.1 -38.5 -43.7 86.8 65.4 829 594 C K H 3> S+ 0 0 64 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.755 104.0 50.8 -60.4 -21.3 -43.9 89.0 62.3 830 595 C F H <> S+ 0 0 0 -3,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.878 112.2 43.7 -81.3 -41.5 -41.5 86.6 60.7 831 596 C I H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 3,-0.3 0.972 114.2 51.0 -65.1 -55.6 -43.5 83.5 61.5 832 597 C S H X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.3 3,-0.5 0.942 113.3 44.8 -43.0 -61.8 -46.8 85.3 60.5 833 598 C K H X S+ 0 0 70 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.3 0.809 112.5 53.9 -53.5 -34.1 -45.2 86.2 57.2 834 599 C A H X S+ 0 0 5 -4,-1.6 4,-0.6 -3,-0.3 -1,-0.3 0.867 105.8 51.0 -70.3 -39.8 -43.8 82.7 57.0 835 600 C I H >X S+ 0 0 0 -4,-2.9 4,-1.8 -3,-0.5 3,-0.9 0.905 108.7 52.8 -63.6 -42.9 -47.2 81.1 57.4 836 601 C Q H 3< S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.898 108.0 50.5 -59.8 -42.8 -48.6 83.4 54.7 837 602 C N H 3< S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.570 113.5 45.0 -75.7 -7.5 -45.9 82.3 52.2 838 603 C L H << S+ 0 0 49 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.705 121.0 33.4-105.7 -26.6 -46.5 78.6 52.8 839 604 C Y >< + 0 0 35 -4,-1.8 3,-0.6 -5,-0.1 7,-0.3 -0.311 65.0 138.7-126.6 52.0 -50.3 78.5 52.7 840 605 C P T 3 S+ 0 0 74 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.781 87.9 32.5 -65.3 -25.9 -51.3 81.1 50.1 841 606 C N T 3 S+ 0 0 160 -3,-0.2 2,-0.2 1,-0.2 3,-0.1 0.343 109.3 69.9-110.3 2.3 -54.0 78.8 48.7 842 607 C D X> + 0 0 74 -3,-0.6 4,-2.3 1,-0.1 3,-0.6 -0.495 53.1 168.1-119.8 62.4 -54.8 76.9 52.0 843 608 C I H 3> S+ 0 0 89 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.707 75.3 58.6 -47.3 -27.2 -56.6 79.5 54.0 844 609 C A H 3> S+ 0 0 68 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.969 110.0 41.1 -69.1 -52.1 -57.8 76.9 56.5 845 610 C Q H <> S+ 0 0 60 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.956 113.3 55.3 -57.9 -52.1 -54.2 75.8 57.4 846 611 C R H X S+ 0 0 43 -4,-2.3 4,-3.0 -7,-0.3 -1,-0.2 0.897 110.9 44.4 -48.5 -47.4 -53.1 79.5 57.4 847 612 C N H X S+ 0 0 40 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.3 0.885 109.8 54.9 -68.9 -36.6 -55.7 80.4 59.9 848 613 C E H X S+ 0 0 116 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.908 114.4 42.0 -62.7 -38.9 -55.0 77.3 62.0 849 614 C M H X S+ 0 0 10 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.934 112.4 51.7 -73.2 -46.8 -51.3 78.4 62.2 850 615 C L H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.840 111.7 48.8 -58.7 -33.4 -52.0 82.1 62.7 851 616 C I H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.836 109.8 51.6 -74.7 -33.2 -54.3 81.2 65.6 852 617 C K H X S+ 0 0 73 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.945 113.1 43.8 -67.4 -48.6 -51.7 78.9 67.1 853 618 C L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.887 111.1 58.3 -62.6 -36.9 -49.1 81.6 66.9 854 619 C G H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.915 101.9 52.1 -58.9 -47.4 -51.8 83.9 68.3 855 620 C D H X S+ 0 0 54 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.941 108.5 52.0 -55.8 -49.1 -52.3 81.7 71.4 856 621 C R H X S+ 0 0 42 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.959 107.2 50.7 -54.0 -56.8 -48.6 81.9 72.1 857 622 C L H ><>S+ 0 0 0 -4,-2.3 5,-1.2 1,-0.2 3,-0.8 0.905 113.8 45.9 -47.7 -48.3 -48.3 85.7 71.9 858 623 C K H ><5S+ 0 0 65 -4,-2.0 3,-1.0 1,-0.3 4,-0.4 0.973 112.3 49.4 -59.1 -55.6 -51.3 86.0 74.3 859 624 C E H 3<5S+ 0 0 168 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.576 112.5 52.8 -62.2 -7.9 -49.9 83.4 76.7 860 625 C N T <<5S- 0 0 96 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.1 -0.329 127.0 -88.0-124.8 49.2 -46.6 85.3 76.6 861 626 C G T < 5S+ 0 0 74 -3,-1.0 -3,-0.2 1,-0.1 -2,-0.1 0.883 94.8 115.6 47.2 52.9 -47.6 88.9 77.4 862 627 C H >< + 0 0 55 -5,-1.2 4,-2.1 -4,-0.4 3,-0.4 -0.267 25.0 150.1-141.8 48.3 -48.4 90.0 73.8 863 628 C R H > S+ 0 0 31 -5,-0.2 4,-1.6 1,-0.2 5,-0.2 0.872 71.8 49.1 -48.5 -52.3 -52.1 90.7 74.1 864 629 C Q H > S+ 0 0 50 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.852 113.4 47.2 -62.6 -35.1 -52.3 93.4 71.5 865 630 C D H > S+ 0 0 44 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.821 106.4 58.0 -75.8 -31.0 -50.4 91.3 69.0 866 631 C S H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.870 103.8 52.5 -66.5 -34.4 -52.5 88.2 69.6 867 632 C L H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.870 107.6 53.8 -66.8 -35.7 -55.6 90.2 68.7 868 633 C T H X S+ 0 0 11 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.949 111.8 41.7 -63.4 -52.5 -53.8 91.1 65.5 869 634 C L H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.849 115.6 51.1 -66.1 -33.5 -53.1 87.5 64.5 870 635 C Y H ><>S+ 0 0 4 -4,-2.2 5,-2.3 2,-0.2 3,-0.6 0.927 109.9 49.8 -67.7 -44.9 -56.6 86.4 65.6 871 636 C L H ><5S+ 0 0 2 -4,-2.7 3,-2.5 1,-0.3 -2,-0.2 0.971 110.4 49.8 -56.3 -55.0 -58.2 89.2 63.5 872 637 C A H 3<5S+ 0 0 22 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.692 112.4 48.4 -58.8 -18.4 -56.1 88.2 60.5 873 638 C A T <<5S- 0 0 4 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.345 110.8-124.9-102.2 4.4 -57.3 84.6 61.1 874 639 C G T < 5 + 0 0 18 -3,-2.5 2,-1.0 -4,-0.2 -3,-0.2 0.789 56.4 152.3 57.9 34.0 -60.8 85.7 61.4 875 640 C S >< + 0 0 14 -5,-2.3 4,-1.3 1,-0.2 -1,-0.2 -0.698 14.9 165.1 -99.8 84.4 -61.2 84.1 64.8 876 641 C L H > S+ 0 0 27 -2,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.770 73.2 68.8 -66.7 -24.7 -63.9 86.0 66.7 877 642 C D H >> S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.970 99.7 45.0 -55.9 -59.1 -64.0 83.1 69.2 878 643 C K H 3> S+ 0 0 72 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.890 113.0 49.9 -53.6 -46.8 -60.6 83.7 70.7 879 644 C V H 3X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.801 109.4 53.7 -65.5 -26.2 -61.1 87.5 70.9 880 645 C A H < S+ 0 0 6 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.854 111.8 47.0 -69.3 -32.9 -65.0 87.3 78.3 885 650 C S H 3< S+ 0 0 73 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.890 107.4 53.2 -76.4 -39.0 -62.3 86.4 80.8 886 651 C E T 3X S+ 0 0 43 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.402 91.7 89.8 -75.9 6.5 -61.1 89.9 81.5 887 652 C F H <> S+ 0 0 7 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.959 76.9 51.6 -69.2 -57.5 -64.7 90.7 82.2 888 653 C P H 4 S+ 0 0 67 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.902 112.2 47.0 -49.2 -47.5 -65.1 90.1 86.0 889 654 C D H >> S+ 0 0 100 -4,-0.4 4,-1.6 1,-0.2 3,-1.6 0.920 108.7 56.0 -61.3 -43.4 -62.1 92.2 86.8 890 655 C L H 3X S+ 0 0 10 -4,-1.3 4,-1.0 1,-0.3 -1,-0.2 0.872 107.0 49.2 -56.5 -40.3 -63.3 95.0 84.6 891 656 C E H 3< S+ 0 0 43 -4,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.528 108.0 56.5 -78.4 -5.7 -66.6 95.1 86.5 892 657 C D H <> S+ 0 0 94 -3,-1.6 4,-1.5 -4,-0.4 -2,-0.2 0.760 103.0 51.2 -94.1 -29.1 -64.7 95.2 89.7 893 658 C K H X S+ 0 0 96 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.764 111.5 49.2 -76.8 -25.8 -62.8 98.3 88.8 894 659 C L H < S+ 0 0 10 -4,-1.0 5,-0.4 -5,-0.2 -1,-0.2 0.729 105.5 58.1 -82.4 -23.7 -66.0 100.0 87.9 895 660 C K H >> S+ 0 0 68 -4,-0.3 4,-1.4 1,-0.2 3,-0.5 0.906 105.2 49.8 -69.4 -42.0 -67.5 98.9 91.2 896 661 C K H 3< S+ 0 0 160 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.712 88.0 82.1 -69.7 -21.8 -64.7 100.7 93.0 897 662 C D T 3< S- 0 0 101 -4,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.171 124.8 -95.1 -71.4 25.3 -65.5 103.8 91.0 898 663 C N T <4 S+ 0 0 124 -3,-0.5 2,-0.3 1,-0.2 -2,-0.2 0.917 81.0 146.2 62.1 45.9 -68.2 104.3 93.6 899 664 C K < - 0 0 25 -4,-1.4 -1,-0.2 -5,-0.4 357,-0.0 -0.871 47.9-115.9-113.1 146.0 -70.9 102.6 91.5 900 665 C T > - 0 0 16 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.076 36.6 -97.1 -69.0 177.6 -73.7 100.5 92.8 901 666 C I H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 128.8 43.4 -63.0 -43.6 -74.1 96.8 92.0 902 667 C Y H > S+ 0 0 59 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.951 112.4 52.1 -66.4 -49.1 -76.5 97.8 89.2 903 668 C E H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.892 113.2 45.3 -53.4 -44.1 -74.4 100.7 87.9 904 669 C A H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.975 115.5 44.4 -63.6 -58.7 -71.3 98.4 87.7 905 670 C H H X S+ 0 0 40 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.911 114.5 51.0 -52.5 -49.0 -73.0 95.5 86.0 906 671 C S H X S+ 0 0 21 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.949 113.4 40.3 -58.7 -56.0 -74.8 97.7 83.6 907 672 C E H X S+ 0 0 83 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.920 114.9 52.4 -63.4 -43.4 -71.9 99.8 82.3 908 673 C C H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.951 112.7 45.8 -57.0 -48.8 -69.6 96.8 82.1 909 674 C L H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.969 113.4 47.2 -58.8 -57.4 -72.1 94.9 80.1 910 675 C T H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.3 -1,-0.2 0.918 115.3 46.0 -53.0 -46.3 -73.0 97.7 77.7 911 676 C E H X S+ 0 0 6 -4,-2.8 4,-2.2 -5,-0.2 5,-0.3 0.880 111.5 52.6 -67.1 -34.1 -69.3 98.5 77.1 912 677 C F H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.964 112.9 44.9 -62.9 -48.1 -68.5 94.8 76.7 913 678 C I H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.855 113.0 50.1 -62.9 -39.1 -71.3 94.6 74.1 914 679 C E H X S+ 0 0 10 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.992 109.8 48.2 -65.1 -57.9 -70.2 97.7 72.3 915 680 C R H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.905 117.5 45.4 -47.2 -43.7 -66.6 96.8 72.0 916 681 C F H X S+ 0 0 3 -4,-2.0 4,-3.1 -5,-0.3 -1,-0.2 0.917 109.3 51.2 -69.0 -47.1 -67.7 93.4 70.7 917 682 C T H < S+ 0 0 15 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.899 115.3 46.5 -57.0 -41.2 -70.4 94.6 68.2 918 683 C V H >X S+ 0 0 0 -4,-2.7 3,-3.3 -5,-0.2 4,-0.6 1.000 115.6 40.8 -63.4 -69.3 -67.8 96.9 66.7 919 684 C F H >X S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.3 4,-0.6 0.869 108.1 64.0 -46.3 -42.8 -64.9 94.5 66.5 920 685 C S H 3< S+ 0 0 48 -4,-3.1 5,-0.3 1,-0.3 -1,-0.3 0.582 97.1 60.5 -60.7 -8.1 -67.4 91.8 65.3 921 686 C N H <4 S+ 0 0 53 -3,-3.3 -1,-0.3 -4,-0.2 -2,-0.2 0.693 105.1 43.2 -93.1 -23.0 -68.0 94.1 62.3 922 687 C F H << S+ 0 0 21 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.1 0.339 105.2 74.5-104.2 4.8 -64.4 94.1 60.9 923 688 C I S < S- 0 0 15 -4,-0.6 2,-0.2 -49,-0.1 -52,-0.1 -0.223 86.9-107.3-101.5-165.4 -63.7 90.4 61.4 924 689 C N 0 0 117 -53,-0.2 -48,-0.1 -2,-0.1 -3,-0.1 -0.584 360.0 360.0-128.7 70.9 -65.0 87.3 59.4 925 690 C G 0 0 110 -5,-0.3 -50,-0.1 -2,-0.2 -2,-0.1 -0.750 360.0 360.0-105.8 360.0 -67.6 85.5 61.5 926 ! 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 0.0 927 694 C I 0 0 68 0, 0.0 -50,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.0 -72.9 82.8 68.4 928 695 C N + 0 0 121 31,-0.1 5,-0.0 4,-0.0 31,-0.0 0.766 360.0 107.1-102.9 -33.5 -72.1 79.4 69.8 929 696 C N > - 0 0 38 1,-0.1 4,-2.1 2,-0.1 5,-0.1 -0.237 60.6-148.8 -50.1 123.3 -70.2 80.3 73.0 930 697 C E H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.934 96.0 48.4 -64.1 -48.0 -72.5 79.5 76.0 931 698 C Q H > S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.943 110.7 52.6 -58.7 -46.1 -71.0 82.2 78.2 932 699 C L H >> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.903 106.3 53.2 -56.5 -45.0 -71.3 84.8 75.4 933 700 C I H 3X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.891 103.4 56.1 -59.1 -43.0 -75.0 83.9 74.8 934 701 C A H 3< S+ 0 0 52 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.806 109.2 47.3 -62.7 -29.3 -76.0 84.5 78.4 935 702 C K H S+ 0 0 73 -4,-0.4 4,-1.4 -3,-0.3 -2,-0.2 0.816 109.9 48.2 -82.5 -34.1 -78.4 89.9 79.6 939 706 C F H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.864 105.6 59.0 -71.9 -35.6 -78.0 92.9 77.3 940 707 C I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.952 105.3 50.3 -55.1 -53.3 -81.4 92.2 75.7 941 708 C N H X S+ 0 0 69 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.851 110.6 45.8 -56.7 -42.2 -83.0 92.6 79.1 942 709 C L H X S+ 0 0 19 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.892 114.4 53.9 -68.5 -34.6 -81.4 95.9 80.0 943 710 C T H ><>S+ 0 0 5 -4,-2.4 3,-2.6 1,-0.2 5,-0.6 0.988 104.3 49.5 -60.3 -64.6 -82.3 96.9 76.4 944 711 C T H ><5S+ 0 0 6 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.788 106.1 60.3 -49.2 -29.8 -86.0 96.1 76.5 945 712 C S H 3<5S+ 0 0 20 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.737 98.0 55.3 -73.2 -21.0 -86.2 98.1 79.8 946 713 C T T <<5S- 0 0 39 -3,-2.6 -1,-0.3 -4,-0.7 -2,-0.2 0.468 119.8-118.2 -84.8 -1.0 -85.1 101.3 78.1 947 714 C G T < 5S+ 0 0 23 -3,-1.0 2,-3.3 -4,-0.5 3,-0.2 0.044 73.8 134.9 89.6 -25.1 -88.0 100.5 75.8 948 715 C N >< + 0 0 24 -5,-0.6 4,-2.0 1,-0.2 3,-0.2 -0.223 18.3 164.1 -59.6 64.2 -85.9 100.1 72.7 949 716 C F H > + 0 0 21 -2,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.811 69.8 61.9 -51.7 -33.7 -87.6 96.9 71.5 950 717 C E H > S+ 0 0 149 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.970 105.5 41.5 -59.3 -59.3 -86.1 97.5 68.0 951 718 C L H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 112.8 56.7 -56.0 -42.5 -82.4 97.2 69.1 952 719 C A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.915 105.5 50.5 -55.8 -45.7 -83.4 94.3 71.4 953 720 C T H X S+ 0 0 47 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.868 103.4 60.4 -61.4 -37.4 -84.8 92.5 68.4 954 721 C E H < S+ 0 0 96 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.951 110.8 39.7 -55.5 -50.4 -81.6 93.1 66.5 955 722 C F H >< S+ 0 0 8 -4,-1.8 3,-2.1 1,-0.2 4,-0.5 0.895 109.3 57.9 -68.5 -42.2 -79.5 91.2 69.1 956 723 C L H >< S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.865 103.0 57.5 -57.1 -32.1 -82.1 88.4 69.6 957 724 C N T 3< S+ 0 0 98 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.574 97.9 60.0 -75.8 -9.4 -81.7 87.7 65.9 958 725 C S T < S+ 0 0 52 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.503 93.4 85.2 -93.8 -5.7 -78.0 87.2 66.2 959 726 C L S < S- 0 0 9 -3,-1.1 2,-0.6 -4,-0.5 -31,-0.1 -0.604 98.3 -86.7 -95.5 156.1 -78.5 84.3 68.7 960 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