==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 15-MAR-13 4JNF . COMPND 2 MOLECULE: HSP70 CHAPERONE DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.QI,E.B.SARBENG,Q.LIU,K.Q.LE,X.XU,H.XU,J.YANG,J.L.WONG,C.VO . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 72.8 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 . 46 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 35.2 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+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 . 2 0 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 388 A S 0 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.1 38.7 13.9 33.8 2 389 A V + 0 0 139 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.915 360.0 166.1-126.3 159.6 37.1 13.2 30.4 3 390 A L - 0 0 121 -2,-0.3 2,-0.5 2,-0.0 0, 0.0 -0.974 36.1-112.1-160.9 166.9 33.5 12.4 29.4 4 391 A L - 0 0 173 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.971 33.2-165.1-110.4 124.2 30.9 12.1 26.7 5 392 A L - 0 0 122 -2,-0.5 2,-0.7 2,-0.0 -2,-0.0 -0.813 16.6-134.2-106.1 150.0 28.1 14.6 26.9 6 393 A D + 0 0 116 -2,-0.3 25,-1.7 25,-0.2 2,-0.3 -0.909 41.8 150.5-104.0 108.4 24.8 14.4 25.1 7 394 A V B -A 30 0A 54 -2,-0.7 23,-0.2 23,-0.2 20,-0.1 -0.918 53.8 -87.3-131.9 160.1 23.9 17.8 23.5 8 395 A T - 0 0 7 21,-2.1 20,-2.2 -2,-0.3 21,-0.1 -0.461 30.4-149.6 -66.9 136.2 22.0 18.8 20.4 9 396 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.785 76.4 16.9 -79.0 -24.4 24.2 18.8 17.3 10 397 A L S S- 0 0 0 16,-0.1 19,-0.1 17,-0.1 43,-0.1 -0.954 91.8 -85.4-143.9 157.2 22.3 21.6 15.5 11 398 A S - 0 0 11 -2,-0.3 41,-2.6 16,-0.1 2,-0.4 -0.296 40.6-152.1 -60.7 149.9 19.8 24.3 16.3 12 399 A L E +BC 25 51B 12 13,-2.4 12,-3.0 39,-0.2 13,-2.4 -0.978 33.3 117.2-127.8 138.9 16.2 23.3 16.3 13 400 A G E -BC 23 50B 0 37,-2.4 37,-2.9 -2,-0.4 2,-0.3 -0.864 48.8 -83.5-169.8-157.8 13.2 25.6 15.6 14 401 A I E -BC 22 49B 7 8,-2.2 8,-3.0 -2,-0.3 2,-0.4 -0.894 38.0 -98.8-131.2 161.0 10.3 26.5 13.3 15 402 A E E -B 21 0B 78 33,-1.6 33,-0.3 -2,-0.3 2,-0.3 -0.671 41.2-168.1 -77.0 131.5 9.6 28.3 10.1 16 403 A T E >> -B 20 0B 32 4,-2.8 4,-2.0 -2,-0.4 3,-1.1 -0.802 38.8 -58.9-119.1 164.9 8.3 31.8 10.6 17 404 A M T 34 S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.3 129,-0.1 -0.009 121.9 30.5 -47.0 129.6 6.8 34.3 8.1 18 405 A G T 34 S- 0 0 47 1,-0.1 -1,-0.3 -3,-0.1 124,-0.1 0.494 129.2 -74.5 98.7 4.3 9.0 35.2 5.2 19 406 A G T <4 S+ 0 0 22 -3,-1.1 38,-2.6 1,-0.2 39,-0.4 0.828 86.6 148.7 78.3 35.6 10.8 31.8 5.1 20 407 A V E < -BD 16 56B 5 -4,-2.0 -4,-2.8 36,-0.3 2,-0.7 -0.737 46.9-131.4 -99.8 145.3 13.0 32.3 8.2 21 408 A M E -B 15 0B 2 34,-2.3 2,-0.5 -2,-0.3 -6,-0.2 -0.895 22.5-163.3 -92.3 118.6 14.1 29.6 10.6 22 409 A T E -B 14 0B 42 -8,-3.0 -8,-2.2 -2,-0.7 2,-0.3 -0.908 17.7-129.4-102.3 124.1 13.5 30.8 14.1 23 410 A T E +B 13 0B 54 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.540 32.4 169.7 -79.3 133.5 15.4 28.9 16.8 24 411 A L E S+ 0 0 17 -12,-3.0 2,-0.5 1,-0.3 -11,-0.2 0.682 79.1 31.8-102.5 -38.4 13.7 27.4 19.9 25 412 A I E S-B 12 0B 0 -13,-2.4 -13,-2.4 10,-0.1 -1,-0.3 -0.973 86.5-132.2-125.0 117.9 16.7 25.3 21.1 26 413 A A > - 0 0 55 -2,-0.5 3,-0.9 -15,-0.2 -18,-0.2 -0.226 35.1 -86.1 -64.6 153.0 20.2 26.5 20.5 27 414 A K T 3 S+ 0 0 76 1,-0.2 -1,-0.1 -18,-0.1 -16,-0.1 -0.275 112.1 22.5 -53.4 141.8 22.9 24.3 19.1 28 415 A N T 3 S+ 0 0 93 -20,-2.2 2,-0.4 1,-0.2 -1,-0.2 0.780 83.1 160.8 68.6 32.3 24.8 22.3 21.7 29 416 A T < - 0 0 28 -3,-0.9 -21,-2.1 -19,-0.1 -1,-0.2 -0.682 43.0-112.3 -84.2 134.8 22.1 22.4 24.3 30 417 A T B -A 7 0A 93 -2,-0.4 -23,-0.2 -23,-0.2 -1,-0.1 -0.398 44.9 -98.8 -65.9 137.6 22.2 19.7 27.0 31 418 A I S S+ 0 0 35 -25,-1.7 -25,-0.2 -2,-0.1 2,-0.2 -0.828 97.3 49.0-109.1 150.1 19.4 17.1 27.0 32 419 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 56,-0.2 0.553 83.7 151.4 -71.7 156.7 16.9 16.6 28.4 33 420 A T E -F 87 0C 24 54,-1.8 54,-2.5 -2,-0.2 2,-0.3 -0.944 31.2-158.7-150.3 166.4 15.7 20.2 27.8 34 421 A K E +F 86 0C 146 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.925 13.9 172.0-156.7 125.0 12.5 22.1 27.3 35 422 A H E -F 85 0C 72 50,-2.6 50,-3.3 -2,-0.3 2,-0.3 -0.988 5.2-175.0-137.9 143.3 11.9 25.5 25.6 36 423 A S E +F 84 0C 70 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.971 5.5 179.5-138.1 155.6 8.9 27.5 24.7 37 424 A Q E -F 83 0C 109 46,-2.0 46,-2.9 -2,-0.3 2,-0.5 -0.977 24.4-129.3-150.9 143.7 8.0 30.7 22.9 38 425 A V E -F 82 0C 37 -2,-0.3 2,-0.3 44,-0.2 44,-0.3 -0.832 27.7-163.9 -97.9 132.1 4.8 32.4 22.1 39 426 A F E -F 81 0C 34 42,-2.6 42,-2.8 -2,-0.5 41,-1.4 -0.820 19.0-118.8-114.3 151.4 4.2 33.5 18.4 40 427 A S - 0 0 85 -2,-0.3 2,-0.3 39,-0.3 38,-0.1 -0.579 34.9-117.8 -79.4 151.8 1.8 35.9 16.7 41 428 A M + 0 0 47 -2,-0.2 3,-0.1 37,-0.2 4,-0.1 -0.694 29.3 177.4 -94.4 143.8 -0.5 34.4 14.1 42 429 A G - 0 0 56 -2,-0.3 2,-0.4 2,-0.2 -1,-0.0 -0.489 64.6 -58.2-142.3 66.2 -0.4 35.4 10.4 43 430 A G S S+ 0 0 54 2,-0.0 -1,-0.1 -2,-0.0 2,-0.1 -0.792 113.9 28.6 98.5-138.1 -3.0 33.2 8.7 44 435 A A S S- 0 0 92 -2,-0.4 2,-1.4 1,-0.1 -2,-0.2 -0.345 75.3-129.9 -62.2 133.4 -2.8 29.4 8.8 45 436 A V E + E 0 68B 17 23,-0.5 23,-2.7 -4,-0.1 2,-0.5 -0.699 41.6 163.5 -86.1 90.0 -1.2 28.0 11.9 46 437 A T E - E 0 67B 61 -2,-1.4 2,-0.8 21,-0.2 21,-0.2 -0.952 25.7-155.8-109.4 125.5 1.4 25.6 10.4 47 438 A I E - E 0 66B 7 19,-3.2 19,-1.7 -2,-0.5 2,-0.7 -0.878 12.4-175.5-101.6 106.1 4.2 24.4 12.6 48 439 A H E - E 0 65B 34 -2,-0.8 -33,-1.6 -33,-0.3 2,-0.3 -0.907 16.2-145.1-106.9 111.8 7.1 23.4 10.4 49 440 A V E -CE 14 64B 0 15,-2.6 14,-2.9 -2,-0.7 15,-0.9 -0.616 20.9-172.1 -86.1 132.2 9.9 21.9 12.5 50 441 A L E -CE 13 62B 0 -37,-2.9 -37,-2.4 -2,-0.3 2,-0.4 -0.923 17.8-159.4-129.4 147.5 13.5 22.6 11.3 51 442 A Q E +CE 12 61B 16 10,-2.3 10,-2.7 -2,-0.3 2,-0.2 -0.994 48.8 62.4-124.0 126.6 17.0 21.5 12.1 52 443 A G S S- 0 0 1 -41,-2.6 8,-0.1 -2,-0.4 -25,-0.1 -0.842 74.4 -95.3 149.1 179.3 20.1 23.5 11.2 53 444 A E S S+ 0 0 44 -2,-0.2 2,-0.2 6,-0.2 -1,-0.1 0.279 78.9 106.8-112.4 6.5 22.1 26.7 11.4 54 445 A R - 0 0 27 2,-0.1 -33,-0.1 1,-0.1 74,-0.1 -0.562 63.4-141.0 -89.3 152.8 20.9 28.6 8.4 55 446 A K S S+ 0 0 68 -2,-0.2 -34,-2.3 -35,-0.1 2,-0.5 0.790 84.6 78.4 -82.6 -26.1 18.6 31.6 8.5 56 447 A R B > S-D 20 0B 106 -36,-0.2 3,-1.7 1,-0.2 4,-0.3 -0.724 75.5-144.8 -81.9 124.0 16.5 30.5 5.4 57 448 A A G > S+ 0 0 4 -38,-2.6 3,-1.9 -2,-0.5 -1,-0.2 0.882 99.5 60.2 -50.6 -41.2 14.1 27.8 6.3 58 449 A A G 3 S+ 0 0 97 -39,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.675 99.2 57.3 -65.5 -17.6 14.6 26.2 2.9 59 450 A D G < S+ 0 0 67 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.405 99.1 74.4 -93.6 -0.1 18.3 25.8 3.7 60 451 A N S < S- 0 0 17 -3,-1.9 2,-0.5 -4,-0.3 -8,-0.2 -0.626 92.1 -91.2-107.8 169.7 17.6 23.7 6.8 61 452 A K E -E 51 0B 75 -10,-2.7 -10,-2.3 -2,-0.2 2,-0.5 -0.693 34.2-132.9 -84.4 127.3 16.4 20.1 7.3 62 453 A S E +E 50 0B 49 -2,-0.5 -12,-0.2 -12,-0.2 3,-0.1 -0.660 23.6 179.4 -78.0 124.0 12.7 19.6 7.6 63 454 A L E - 0 0 13 -14,-2.9 48,-0.4 -2,-0.5 2,-0.3 0.583 57.5 -65.4-100.4 -14.1 11.8 17.3 10.6 64 455 A G E -E 49 0B 20 -15,-0.9 -15,-2.6 46,-0.1 -1,-0.4 -0.852 46.2-135.2 150.1 176.3 8.1 17.4 10.2 65 456 A Q E -E 48 0B 112 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.990 12.5-178.8-160.6 156.6 5.0 19.6 10.4 66 457 A F E -E 47 0B 22 -19,-1.7 -19,-3.2 -2,-0.3 2,-0.3 -0.976 21.7-124.9-152.8 160.0 1.5 19.9 11.7 67 458 A N E -E 46 0B 74 -2,-0.3 2,-0.6 -21,-0.2 -21,-0.2 -0.814 4.6-145.9-106.5 150.2 -1.4 22.4 11.6 68 459 A L E -E 45 0B 10 -23,-2.7 -23,-0.5 -2,-0.3 3,-0.3 -0.947 34.9-155.6-108.8 105.8 -3.3 23.9 14.4 69 460 A D + 0 0 127 -2,-0.6 35,-0.0 1,-0.2 -25,-0.0 -0.451 57.2 20.8 -89.3 154.2 -6.8 24.2 12.8 70 461 A G S S+ 0 0 74 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.919 75.3 158.8 63.0 50.3 -9.7 26.6 13.5 71 462 A I - 0 0 22 -3,-0.3 -1,-0.2 31,-0.0 -26,-0.1 -0.903 26.3-156.2-108.9 131.4 -7.8 29.3 15.3 72 463 A N - 0 0 120 -2,-0.5 29,-0.1 1,-0.1 30,-0.0 -0.873 34.3 -96.0-103.8 138.8 -9.2 32.9 15.7 73 464 A P - 0 0 102 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.227 45.6-112.0 -52.0 131.9 -6.9 35.9 16.2 74 465 A A > - 0 0 13 4,-0.4 3,-1.2 1,-0.1 6,-0.1 -0.221 42.9 -84.7 -63.4 155.9 -6.6 36.8 19.9 75 466 A P G > S+ 0 0 89 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.219 112.3 17.0 -61.4 152.6 -8.1 40.1 21.1 76 467 A R G 3 S- 0 0 237 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.656 123.6 -82.9 59.9 15.8 -6.1 43.3 20.8 77 468 A G G < S+ 0 0 60 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.745 77.9 166.7 63.1 27.3 -3.9 41.4 18.4 78 469 A M < - 0 0 113 -3,-1.8 -4,-0.4 1,-0.1 -37,-0.2 -0.452 45.7 -93.6 -76.2 147.0 -1.8 39.8 21.1 79 470 A P + 0 0 55 0, 0.0 -39,-0.3 0, 0.0 -1,-0.1 -0.352 50.3 167.6 -56.9 135.6 0.6 36.9 20.4 80 471 A Q + 0 0 8 -41,-1.4 20,-2.8 1,-0.1 2,-0.9 0.507 36.7 93.4-134.0 -11.8 -1.2 33.6 21.0 81 472 A I E -FG 39 99C 7 -42,-2.8 -42,-2.6 18,-0.2 2,-0.7 -0.805 52.4-162.4-101.7 102.7 0.5 30.5 19.7 82 473 A E E -FG 38 98C 49 16,-2.8 16,-2.1 -2,-0.9 2,-0.5 -0.755 6.8-167.1 -87.3 115.3 2.6 28.9 22.3 83 474 A V E -FG 37 97C 1 -46,-2.9 -46,-2.0 -2,-0.7 2,-0.4 -0.890 2.6-168.4-105.1 127.0 5.2 26.5 20.8 84 475 A T E -FG 36 96C 19 12,-2.6 12,-2.2 -2,-0.5 2,-0.5 -0.960 9.2-164.3-119.4 129.1 7.0 24.1 23.1 85 476 A F E -FG 35 95C 0 -50,-3.3 -50,-2.6 -2,-0.4 2,-0.5 -0.964 13.5-179.2-108.4 124.4 10.1 22.0 22.2 86 477 A D E -FG 34 94C 48 8,-2.8 8,-3.2 -2,-0.5 2,-0.5 -0.987 9.6-170.7-127.0 121.5 10.8 19.1 24.6 87 478 A I E -FG 33 93C 7 -54,-2.5 -54,-1.8 -2,-0.5 6,-0.2 -0.964 16.2-150.1-110.7 123.2 13.7 16.7 24.2 88 479 A D > - 0 0 43 4,-2.1 3,-2.2 -2,-0.5 -55,-0.0 -0.208 34.5 -91.9 -85.4 178.6 13.7 13.8 26.6 89 480 A A T 3 S+ 0 0 70 1,-0.3 -58,-0.1 2,-0.1 -1,-0.1 0.795 126.5 58.7 -60.7 -28.6 16.6 11.9 28.1 90 481 A D T 3 S- 0 0 143 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.456 119.8-110.9 -80.7 -1.6 16.4 9.4 25.2 91 482 A G < + 0 0 37 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.601 67.5 148.3 83.0 11.9 16.9 12.3 22.8 92 483 A I - 0 0 53 17,-0.0 -4,-2.1 1,-0.0 2,-0.5 -0.703 39.5-142.0 -83.0 125.7 13.4 12.2 21.4 93 484 A L E -G 87 0C 13 -2,-0.5 17,-2.7 17,-0.4 2,-0.4 -0.758 16.0-171.0 -90.7 128.3 12.1 15.6 20.3 94 485 A H E -GH 86 109C 57 -8,-3.2 -8,-2.8 -2,-0.5 2,-0.4 -0.978 2.9-166.5-118.5 130.6 8.4 16.4 21.0 95 486 A V E +GH 85 108C 1 13,-2.4 13,-2.6 -2,-0.4 2,-0.3 -0.965 9.0 175.7-121.4 132.6 6.9 19.6 19.6 96 487 A S E -GH 84 107C 24 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.4 -0.948 14.0-161.7-132.8 153.4 3.5 21.1 20.6 97 488 A A E -GH 83 106C 0 9,-2.5 9,-2.1 -2,-0.3 2,-0.4 -0.999 9.7-173.2-134.8 133.3 1.6 24.2 19.8 98 489 A K E -GH 82 105C 76 -16,-2.1 -16,-2.8 -2,-0.4 2,-0.8 -0.992 23.9-134.1-129.7 133.5 -1.3 25.6 21.8 99 490 A D E > -G 81 0C 1 5,-3.0 4,-2.9 -2,-0.4 3,-0.4 -0.786 14.3-157.9 -82.7 112.7 -3.6 28.4 21.1 100 491 A K T 4 S+ 0 0 119 -20,-2.8 -1,-0.1 -2,-0.8 -19,-0.1 0.610 88.6 57.6 -69.0 -8.8 -3.7 30.4 24.3 101 492 A N T 4 S+ 0 0 84 -21,-0.3 -1,-0.2 -29,-0.1 -20,-0.1 0.828 125.2 12.8 -89.6 -36.5 -7.0 31.9 23.3 102 493 A S T 4 S- 0 0 76 -3,-0.4 -2,-0.2 2,-0.2 3,-0.1 0.628 94.2-122.9-112.6 -24.4 -9.1 28.7 22.8 103 494 A G < + 0 0 45 -4,-2.9 -3,-0.1 1,-0.3 0, 0.0 0.346 57.1 153.6 91.6 -4.7 -6.8 26.1 24.5 104 495 A K - 0 0 35 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.3 -0.304 21.1-176.3 -59.5 140.2 -6.7 24.1 21.2 105 496 A E E -H 98 0C 112 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.989 19.4-178.2-145.9 146.4 -3.5 22.1 21.0 106 497 A Q E -H 97 0C 93 -9,-2.1 -9,-2.5 -2,-0.3 2,-0.3 -0.981 9.6-172.4-142.4 154.0 -1.7 19.7 18.7 107 498 A K E -H 96 0C 153 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.970 8.8-161.9-145.8 158.0 1.6 17.8 19.0 108 499 A I E -H 95 0C 45 -13,-2.6 -13,-2.4 -2,-0.3 2,-0.6 -0.988 16.4-138.4-139.6 147.6 4.0 15.7 17.0 109 500 A T E -H 94 0C 86 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.950 28.2-134.6-104.8 120.0 6.7 13.3 18.0 110 501 A I - 0 0 12 -17,-2.7 -17,-0.4 -2,-0.6 2,-0.3 -0.549 13.6-128.6 -79.2 135.0 9.8 13.8 15.8 111 502 A K > - 0 0 149 -48,-0.4 3,-1.8 -2,-0.3 4,-0.3 -0.627 7.7-136.7 -81.9 137.1 11.5 10.7 14.4 112 503 A A G > S+ 0 0 88 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.864 104.3 66.7 -56.8 -35.4 15.2 10.3 14.9 113 504 A S G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -50,-0.0 4,-0.1 0.568 89.5 65.4 -64.6 -9.6 15.4 9.2 11.2 114 505 A S G < S+ 0 0 29 -3,-1.8 -1,-0.3 -51,-0.1 -2,-0.2 0.612 86.8 92.5 -87.4 -14.1 14.3 12.7 10.1 115 506 A G S < S- 0 0 29 -3,-1.9 2,-0.1 -4,-0.3 -53,-0.1 -0.372 85.3 -94.5 -83.1 159.7 17.5 14.3 11.4 116 507 A L - 0 0 31 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.361 39.3-123.4 -68.1 147.0 20.8 15.0 9.6 117 508 A N > - 0 0 89 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.322 34.5 -90.1 -85.1 175.2 23.6 12.5 9.8 118 509 A E H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.889 127.2 45.4 -53.8 -47.4 27.1 13.2 11.1 119 510 A D H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 114.1 50.1 -65.3 -38.6 28.5 14.1 7.7 120 511 A E H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.849 108.0 54.0 -66.9 -35.7 25.5 16.3 7.0 121 512 A I H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.933 108.6 47.6 -63.7 -47.6 25.9 18.0 10.3 122 513 A Q H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.915 112.5 49.9 -60.0 -42.8 29.5 19.0 9.6 123 514 A K H X S+ 0 0 111 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.902 108.5 53.6 -61.4 -41.8 28.5 20.3 6.1 124 515 A M H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.924 109.0 47.8 -58.8 -47.1 25.7 22.3 7.7 125 516 A V H X S+ 0 0 25 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.931 114.4 47.0 -61.6 -44.4 28.1 24.0 10.1 126 517 A R H X S+ 0 0 145 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.909 112.4 49.6 -62.9 -42.7 30.5 24.7 7.3 127 518 A D H X S+ 0 0 51 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.871 108.6 52.6 -66.7 -36.2 27.7 26.1 5.0 128 519 A A H < S+ 0 0 18 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.909 111.5 46.7 -65.8 -40.6 26.4 28.3 7.8 129 520 A E H >< S+ 0 0 152 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.907 109.9 53.3 -65.2 -42.4 29.9 29.8 8.3 130 521 A A H 3< S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.655 120.3 32.4 -70.2 -16.1 30.5 30.3 4.6 131 522 A N T 3X S+ 0 0 65 -4,-0.9 4,-2.5 -3,-0.5 -1,-0.3 0.056 77.7 123.8-130.4 25.3 27.3 32.2 4.2 132 523 A A H <> S+ 0 0 56 -3,-1.1 4,-2.0 1,-0.2 5,-0.1 0.873 77.0 46.5 -57.3 -44.2 27.0 34.0 7.5 133 524 A E H > S+ 0 0 139 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 113.3 47.9 -68.5 -43.8 26.7 37.5 6.1 134 525 A A H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.889 111.3 51.7 -62.9 -40.1 24.2 36.6 3.4 135 526 A D H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.900 110.7 48.0 -63.6 -41.4 22.1 34.8 6.0 136 527 A R H X S+ 0 0 112 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 111.1 49.6 -64.1 -47.6 22.1 37.9 8.3 137 528 A K H X S+ 0 0 123 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.903 111.9 50.4 -58.8 -40.3 21.2 40.2 5.5 138 529 A F H X S+ 0 0 32 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.956 112.4 44.5 -61.5 -53.4 18.3 37.9 4.5 139 530 A E H X S+ 0 0 38 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.905 111.2 53.5 -60.9 -42.8 16.9 37.7 8.0 140 531 A E H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.889 110.0 47.3 -63.3 -38.7 17.2 41.4 8.7 141 532 A L H X S+ 0 0 24 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.917 112.5 49.1 -69.1 -40.7 15.3 42.3 5.6 142 533 A V H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.938 110.8 50.8 -61.4 -45.3 12.5 39.8 6.3 143 534 A Q H X S+ 0 0 100 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.930 112.8 46.0 -55.8 -47.0 12.3 41.1 9.9 144 535 A T H X S+ 0 0 15 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.908 112.1 50.6 -66.3 -43.6 11.9 44.6 8.7 145 536 A R H X S+ 0 0 79 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.894 109.1 51.5 -60.6 -40.1 9.4 43.7 6.0 146 537 A N H X S+ 0 0 48 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.903 111.2 48.1 -66.5 -37.0 7.3 41.8 8.6 147 538 A Q H X S+ 0 0 128 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.947 115.4 43.9 -62.0 -50.4 7.3 44.9 10.8 148 539 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.891 112.3 52.3 -65.9 -40.7 6.3 47.2 8.0 149 540 A D H X S+ 0 0 59 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.905 109.6 50.2 -59.2 -43.5 3.7 44.8 6.7 150 541 A H H X S+ 0 0 128 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.907 112.4 46.3 -63.7 -41.9 2.2 44.6 10.2 151 542 A L H X S+ 0 0 42 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.890 111.1 54.0 -65.9 -40.2 2.1 48.4 10.4 152 543 A L H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.948 115.8 36.5 -59.6 -52.6 0.6 48.7 6.9 153 544 A H H X S+ 0 0 97 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.861 117.0 52.4 -72.2 -35.9 -2.3 46.4 7.6 154 545 A S H X S+ 0 0 41 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.912 111.3 47.0 -65.3 -42.9 -2.8 47.5 11.2 155 546 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 109.8 52.8 -67.4 -42.7 -3.0 51.1 10.1 156 547 A R H X S+ 0 0 83 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.886 109.8 50.5 -58.2 -37.9 -5.4 50.3 7.3 157 548 A K H X S+ 0 0 129 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.939 109.3 49.3 -64.2 -47.4 -7.6 48.6 9.9 158 549 A Q H X S+ 0 0 60 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.828 107.7 55.9 -61.5 -33.1 -7.5 51.6 12.2 159 550 A V H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.884 110.4 44.3 -66.7 -39.6 -8.5 53.8 9.3 160 551 A E H < S+ 0 0 143 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.912 113.6 49.1 -71.6 -43.1 -11.6 51.7 8.6 161 552 A E H < S+ 0 0 133 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.818 110.7 52.7 -65.1 -30.3 -12.5 51.5 12.3 162 553 A A H >< S+ 0 0 6 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.2 0.905 82.1 162.1 -71.2 -43.1 -12.1 55.3 12.6 163 554 A G G >< - 0 0 39 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 -0.334 69.6 -4.1 62.0-132.0 -14.4 56.0 9.6 164 555 A D G 3 S+ 0 0 177 1,-0.3 -1,-0.3 -4,-0.1 4,-0.1 0.577 121.4 79.2 -72.1 -9.1 -15.8 59.5 9.4 165 556 A K G < S+ 0 0 146 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.782 76.5 85.4 -67.2 -26.9 -14.0 60.3 12.7 166 557 A L S < S- 0 0 10 -3,-1.4 5,-0.0 -7,-0.2 41,-0.0 -0.679 87.6-123.9 -79.8 118.4 -10.8 60.6 10.8 167 558 A P > - 0 0 45 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.244 18.7-116.4 -62.7 150.4 -10.4 64.2 9.4 168 559 A A H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.810 112.7 51.1 -60.3 -37.0 -10.0 64.5 5.6 169 560 A D H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 112.2 47.2 -71.4 -36.4 -6.5 66.1 5.8 170 561 A D H > S+ 0 0 37 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.924 110.6 52.8 -65.0 -45.6 -5.3 63.3 8.1 171 562 A K H X S+ 0 0 84 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.907 109.4 48.6 -58.5 -44.5 -6.8 60.7 5.8 172 563 A T H X S+ 0 0 93 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.924 113.4 46.5 -61.8 -46.6 -5.0 62.1 2.8 173 564 A A H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.903 114.3 47.7 -62.2 -43.8 -1.7 62.2 4.6 174 565 A I H X S+ 0 0 1 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.921 110.5 51.6 -65.1 -44.1 -2.1 58.7 5.9 175 566 A E H X S+ 0 0 81 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.919 111.0 47.6 -58.9 -45.3 -3.1 57.3 2.5 176 567 A S H X S+ 0 0 80 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.907 113.3 48.5 -62.2 -41.5 -0.1 58.8 0.8 177 568 A A H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.852 108.7 53.6 -68.8 -35.5 2.2 57.4 3.6 178 569 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.928 108.8 49.3 -63.8 -43.7 0.6 54.0 3.3 179 570 A T H X S+ 0 0 76 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.919 110.0 51.2 -62.3 -42.4 1.3 53.9 -0.4 180 571 A A H X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.892 111.8 47.2 -62.1 -39.7 5.0 55.0 0.2 181 572 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 109.5 53.4 -66.5 -44.6 5.4 52.2 2.8 182 573 A E H X S+ 0 0 62 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.917 110.7 47.5 -56.5 -43.5 3.8 49.6 0.4 183 574 A T H >< S+ 0 0 92 -4,-2.3 3,-0.8 1,-0.2 4,-0.5 0.921 110.6 50.9 -65.5 -44.3 6.3 50.6 -2.3 184 575 A A H >< S+ 0 0 13 -4,-2.2 3,-1.3 1,-0.2 5,-0.4 0.870 103.6 59.7 -60.3 -37.5 9.3 50.4 0.1 185 576 A L H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 100.1 55.9 -64.8 -25.7 8.2 46.9 1.2 186 577 A K T << S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.591 102.3 74.0 -79.8 -13.4 8.5 45.7 -2.4 187 578 A G S < S- 0 0 29 -3,-1.3 -3,-0.0 -4,-0.5 6,-0.0 -0.316 83.2-125.5 -93.2 179.9 12.1 46.9 -2.5 188 579 A E S S+ 0 0 168 -2,-0.1 2,-0.8 4,-0.0 -3,-0.1 0.117 73.6 110.2-115.3 20.3 15.2 45.5 -0.8 189 580 A D > - 0 0 94 -5,-0.4 4,-1.6 1,-0.2 -2,-0.1 -0.861 45.4-171.6-102.2 104.0 16.3 48.7 1.0 190 581 A K H > S+ 0 0 66 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.907 84.9 53.4 -64.5 -43.5 15.8 48.1 4.7 191 582 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.858 106.0 54.2 -60.2 -37.0 16.5 51.7 5.7 192 583 A A H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 108.0 49.4 -65.8 -40.1 13.9 52.9 3.2 193 584 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 -9,-0.2 -2,-0.2 0.938 111.2 49.3 -63.0 -45.6 11.3 50.7 4.8 194 585 A E H X S+ 0 0 94 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.901 111.2 50.3 -60.8 -41.0 12.2 52.0 8.3 195 586 A A H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 110.9 47.6 -62.8 -46.1 12.0 55.6 7.1 196 587 A K H X S+ 0 0 71 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.834 109.7 54.7 -67.5 -30.8 8.6 55.1 5.5 197 588 A M H X S+ 0 0 38 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.936 110.7 45.1 -64.1 -46.2 7.4 53.4 8.7 198 589 A Q H X S+ 0 0 144 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.884 110.9 53.0 -66.5 -37.8 8.4 56.4 10.7 199 590 A E H X S+ 0 0 85 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.875 109.2 50.0 -64.6 -36.5 6.9 58.8 8.3 200 591 A L H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.2 0.929 109.7 50.5 -67.1 -44.7 3.6 56.9 8.5 201 592 A A H >< S+ 0 0 55 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.907 104.3 59.6 -57.1 -41.7 3.7 57.0 12.3 202 593 A Q H 3< S+ 0 0 154 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.727 108.0 43.7 -62.9 -25.5 4.3 60.8 12.2 203 594 A V T << S+ 0 0 49 -3,-0.9 -1,-0.3 -4,-0.8 4,-0.2 0.299 102.1 73.4-100.5 9.8 1.0 61.4 10.3 204 595 A S <> + 0 0 15 -3,-1.8 4,-2.8 -4,-0.2 5,-0.2 0.179 56.6 106.3-106.5 15.9 -0.9 59.0 12.5 205 596 A Q H > S+ 0 0 112 -3,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.910 85.7 44.5 -69.5 -38.7 -1.2 61.0 15.8 206 597 A K H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 113.6 52.3 -66.8 -37.7 -4.9 61.8 15.4 207 598 A L H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.920 107.7 51.8 -61.4 -43.8 -5.5 58.2 14.3 208 599 A M H X S+ 0 0 78 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.902 109.3 50.1 -58.8 -43.1 -3.8 57.0 17.5 209 600 A E H X S+ 0 0 93 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.915 110.1 49.2 -63.2 -45.0 -6.0 59.2 19.6 210 601 A I H < S+ 0 0 13 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.915 110.9 49.8 -61.6 -44.7 -9.2 57.9 17.9 211 602 A A H < S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 107.9 54.4 -61.3 -39.5 -8.1 54.3 18.4 212 603 A Q H < 0 0 154 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.794 360.0 360.0 -64.3 -29.0 -7.4 55.0 22.0 213 604 A Q < 0 0 182 -4,-1.3 -3,-0.0 -3,-0.3 0, 0.0 -0.440 360.0 360.0 -79.7 360.0 -11.0 56.3 22.4