==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/PEPTIDE BINDING PROTEIN 03-MAY-12 4EZT . COMPND 2 MOLECULE: CHAPERONE PROTEIN DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZAHN,N.STRAETER . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 34.2 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 0 1 0 0 0 1 1 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 1 1 0 1 1 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 0 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 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 1 389 A V 0 0 163 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 66.7 121.8 47.4 2 390 A L + 0 0 185 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.567 360.0 41.4 -94.1 -8.6 65.6 124.1 44.6 3 391 A L - 0 0 143 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.953 61.5-162.1-143.9 147.3 65.7 121.3 42.2 4 392 A L - 0 0 113 -2,-0.3 2,-0.6 -3,-0.1 25,-0.0 -0.993 19.5-135.4-136.0 130.3 64.8 117.6 41.9 5 393 A D + 0 0 120 -2,-0.4 25,-1.2 25,-0.2 2,-0.3 -0.735 41.9 171.6 -74.4 119.2 66.1 115.0 39.4 6 394 A V B -A 29 0A 60 -2,-0.6 23,-0.2 23,-0.2 20,-0.1 -0.958 42.8-105.5-139.2 150.7 63.0 113.0 38.3 7 395 A T - 0 0 9 21,-2.2 20,-2.8 -2,-0.3 21,-0.1 -0.595 26.2-162.7 -68.6 119.7 61.8 110.4 35.9 8 396 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.696 74.8 26.2 -78.6 -16.4 59.8 112.4 33.4 9 397 A L S S- 0 0 1 16,-0.1 19,-0.1 19,-0.1 47,-0.1 -0.984 92.3 -94.9-145.3 150.9 58.1 109.2 32.1 10 398 A S - 0 0 10 -2,-0.3 45,-2.4 45,-0.1 2,-0.4 -0.222 37.2-147.3 -60.0 153.2 57.3 105.8 33.5 11 399 A L E +BC 24 54B 12 13,-3.1 12,-2.9 43,-0.2 13,-2.8 -0.982 35.6 117.1-125.4 141.5 59.8 103.0 32.9 12 400 A G E -BC 22 53B 0 41,-3.5 41,-3.3 -2,-0.4 2,-0.3 -0.863 47.0 -84.7-166.8-160.7 58.9 99.4 32.4 13 401 A I E -BC 21 52B 0 8,-2.1 8,-3.4 -2,-0.3 2,-0.4 -0.910 35.8-102.4-130.1 162.2 58.8 96.3 30.4 14 402 A E E -B 20 0B 34 37,-1.8 37,-0.4 -2,-0.3 6,-0.2 -0.673 40.3-169.9 -79.9 131.5 56.5 94.5 27.9 15 403 A T E >> -B 19 0B 2 4,-2.7 3,-1.7 -2,-0.4 4,-1.2 -0.652 41.1 -55.2-118.9 172.9 54.4 91.8 29.4 16 404 A M T 34 S+ 0 0 28 206,-1.9 -1,-0.2 1,-0.3 208,-0.1 -0.117 123.6 32.8 -53.4 135.2 52.3 89.1 27.8 17 405 A G T 34 S- 0 0 38 1,-0.1 -1,-0.3 -3,-0.1 206,-0.0 0.356 125.8 -79.8 103.0 -9.2 49.7 90.6 25.4 18 406 A G T <4 S+ 0 0 19 -3,-1.7 42,-2.5 1,-0.3 43,-0.4 0.836 87.0 142.1 80.4 29.4 51.8 93.5 24.3 19 407 A V E < -BD 15 59B 14 -4,-1.2 -4,-2.7 40,-0.3 2,-0.5 -0.782 52.0-122.6-107.7 151.2 51.2 95.7 27.4 20 408 A M E -B 14 0B 14 38,-1.9 2,-0.5 -2,-0.3 -6,-0.2 -0.816 23.7-162.0 -92.2 125.6 53.6 98.0 29.2 21 409 A T E -B 13 0B 22 -8,-3.4 -8,-2.1 -2,-0.5 2,-0.3 -0.961 18.3-129.0-110.8 131.1 54.0 97.1 32.8 22 410 A T E +B 12 0B 60 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.2 -0.555 34.0 166.9 -87.6 132.6 55.5 99.9 34.9 23 411 A L E S+ 0 0 14 -12,-2.9 2,-0.5 -2,-0.3 -11,-0.2 0.717 79.9 33.3-104.2 -42.2 58.4 99.2 37.2 24 412 A I E S-B 11 0B 0 -13,-2.8 -13,-3.1 10,-0.0 -1,-0.3 -0.963 87.4-133.7-119.0 114.6 59.3 102.8 37.9 25 413 A A > - 0 0 53 -2,-0.5 3,-0.7 -15,-0.2 -18,-0.2 -0.212 31.4 -91.4 -59.2 146.9 56.4 105.3 38.0 26 414 A K T 3 S+ 0 0 74 1,-0.2 -1,-0.1 -18,-0.1 -16,-0.1 -0.281 111.9 28.4 -47.6 139.4 56.5 108.7 36.3 27 415 A N T 3 S+ 0 0 103 -20,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.854 80.8 151.8 71.3 35.1 57.9 111.4 38.6 28 416 A T < - 0 0 27 -3,-0.7 -21,-2.2 -21,-0.1 -1,-0.2 -0.820 43.6-127.4 -97.7 137.3 60.2 109.2 40.8 29 417 A T B -A 6 0A 73 -2,-0.4 -23,-0.2 -23,-0.2 -25,-0.0 -0.571 41.4 -97.8 -78.5 144.9 63.2 110.8 42.3 30 418 A I S S+ 0 0 28 -25,-1.2 -25,-0.2 -2,-0.2 2,-0.1 -0.888 95.8 61.4-111.6 151.5 66.4 109.0 41.6 31 419 A P S S+ 0 0 89 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.377 77.4 148.6 -73.8 154.8 68.3 107.1 42.7 32 420 A T E -F 90 0C 22 58,-2.0 58,-3.0 -2,-0.1 2,-0.4 -0.988 30.6-163.6-153.6 150.5 65.6 104.4 42.9 33 421 A K E +F 89 0C 131 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.970 14.6 171.3-137.0 124.4 65.5 100.6 42.7 34 422 A H E -F 88 0C 82 54,-3.0 54,-3.1 -2,-0.4 2,-0.3 -0.995 6.6-172.7-132.7 151.6 62.2 98.6 42.1 35 423 A S E -F 87 0C 51 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.953 7.2-178.0-138.9 154.3 61.7 95.0 41.4 36 424 A Q E -F 86 0C 69 50,-2.2 50,-2.7 -2,-0.3 2,-0.5 -0.990 26.2-122.9-147.4 151.0 58.8 92.7 40.5 37 425 A V E +F 85 0C 40 -2,-0.3 188,-0.9 48,-0.2 48,-0.2 -0.820 31.9 176.6-101.7 125.4 58.6 88.9 40.0 38 426 A F E -FG 84 224C 0 46,-3.1 46,-3.4 -2,-0.5 186,-0.2 -0.708 8.1-158.5-115.2 170.5 57.3 87.6 36.6 39 427 A S E - G 0 223C 0 184,-2.7 184,-1.9 -2,-0.2 2,-0.2 -0.711 26.4 -70.7-139.9-168.0 57.0 84.1 35.1 40 428 A T - 0 0 1 42,-0.3 40,-0.8 -2,-0.2 8,-0.1 -0.553 21.4-152.4 -90.9 154.2 56.7 82.0 32.0 41 429 A A S S+ 0 0 3 -2,-0.2 2,-0.3 180,-0.2 38,-0.1 0.588 77.6 45.1 -99.4 -13.7 53.7 81.9 29.7 42 430 A E S > S- 0 0 92 36,-0.1 3,-1.6 35,-0.0 38,-0.2 -0.965 89.8 -98.9-132.0 146.4 54.2 78.3 28.3 43 431 A D T 3 S+ 0 0 69 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.360 110.7 10.8 -52.9 134.0 55.0 74.9 29.8 44 432 A N T 3 S+ 0 0 103 33,-3.3 -1,-0.2 1,-0.2 30,-0.0 0.452 84.8 169.9 78.6 -2.3 58.8 74.1 29.4 45 433 A Q < - 0 0 18 -3,-1.6 -1,-0.2 32,-0.3 32,-0.1 -0.146 14.7-171.8 -40.4 129.8 59.5 77.7 28.3 46 434 A S + 0 0 73 1,-0.2 28,-2.4 -3,-0.1 27,-0.4 0.534 59.6 23.8-109.3 -4.9 63.3 78.0 28.2 47 435 A A - 0 0 15 25,-0.2 173,-0.4 26,-0.2 2,-0.3 -0.987 57.4-153.3-155.3 156.7 63.7 81.7 27.7 48 436 A V E - E 0 71B 0 23,-2.4 23,-2.5 -2,-0.3 2,-0.6 -0.991 18.1-131.0-133.9 147.2 62.0 85.2 28.1 49 437 A T E - E 0 70B 2 171,-2.8 2,-0.6 -2,-0.3 21,-0.2 -0.864 14.7-156.0-100.4 123.1 62.4 88.4 26.3 50 438 A I E - E 0 69B 0 19,-3.2 19,-2.0 -2,-0.6 2,-0.6 -0.879 12.5-174.6 -98.2 116.6 62.9 91.5 28.4 51 439 A H E - E 0 68B 24 -2,-0.6 -37,-1.8 -37,-0.4 2,-0.5 -0.949 14.2-145.9-122.3 109.2 61.9 94.5 26.5 52 440 A V E -CE 13 67B 0 15,-2.1 14,-4.0 -2,-0.6 15,-0.8 -0.651 19.6-172.3 -79.2 123.3 62.5 97.9 28.2 53 441 A L E -CE 12 65B 1 -41,-3.3 -41,-3.5 -2,-0.5 2,-0.4 -0.845 17.2-161.7-122.4 143.6 60.0 100.7 27.6 54 442 A Q E +CE 11 64B 18 10,-2.2 10,-2.9 -2,-0.3 2,-0.3 -0.999 51.4 59.5-119.0 124.1 59.7 104.4 28.5 55 443 A G S S- 0 0 0 -45,-2.4 -45,-0.1 -2,-0.4 8,-0.1 -0.865 76.4 -95.5 148.9-175.6 56.4 106.0 28.4 56 444 A E S S+ 0 0 50 -2,-0.3 2,-0.1 6,-0.2 -1,-0.1 0.386 75.5 110.5-113.6 -0.6 52.9 106.3 29.6 57 445 A R - 0 0 29 2,-0.1 -37,-0.2 -3,-0.1 6,-0.1 -0.427 61.9-138.1 -83.1 157.8 50.9 104.3 26.9 58 446 A K S S+ 0 0 71 -2,-0.1 -38,-1.9 -39,-0.1 2,-0.4 0.879 86.2 73.5 -86.9 -38.4 49.3 101.0 27.6 59 447 A R B > S-D 19 0B 115 -40,-0.2 3,-1.5 1,-0.1 -40,-0.3 -0.637 78.4-141.3 -70.9 128.0 50.3 99.2 24.3 60 448 A A G > S+ 0 0 2 -42,-2.5 3,-2.1 -2,-0.4 -1,-0.1 0.888 101.1 61.5 -47.4 -48.2 54.0 98.4 24.5 61 449 A A G 3 S+ 0 0 93 -43,-0.4 -1,-0.2 1,-0.3 4,-0.1 0.627 97.5 58.5 -59.3 -19.1 54.3 99.4 20.8 62 450 A D G < S+ 0 0 64 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.370 97.6 77.1 -94.6 1.7 53.2 103.0 21.6 63 451 A N S < S- 0 0 17 -3,-2.1 2,-0.4 -4,-0.2 -8,-0.2 -0.634 94.3 -89.3-104.7 167.5 56.0 103.6 24.0 64 452 A K E -E 54 0B 92 -10,-2.9 -10,-2.2 -2,-0.2 2,-0.5 -0.637 36.9-133.1 -76.8 124.0 59.7 104.3 23.5 65 453 A S E -E 53 0B 57 -2,-0.4 -12,-0.2 -12,-0.2 53,-0.2 -0.669 21.6-177.9 -70.2 124.5 61.9 101.2 23.2 66 454 A L E - 0 0 29 -14,-4.0 2,-0.2 -2,-0.5 -13,-0.2 0.538 60.7 -71.0 -98.5 -6.3 65.0 101.5 25.3 67 455 A G E -E 52 0B 19 -15,-0.8 -15,-2.1 46,-0.0 -1,-0.4 -0.679 44.7-127.5 140.4 163.2 66.4 98.1 24.2 68 456 A Q E +E 51 0B 97 -17,-0.2 2,-0.3 -2,-0.2 -17,-0.2 -0.991 19.6 174.5-145.0 159.4 65.7 94.4 24.6 69 457 A F E -E 50 0B 29 -19,-2.0 -19,-3.2 -2,-0.3 2,-0.3 -0.951 25.8-119.7-150.8 154.7 67.6 91.3 25.6 70 458 A N E -E 49 0B 79 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.795 9.5-156.9 -95.9 142.8 66.8 87.6 26.3 71 459 A L E +E 48 0B 0 -23,-2.5 -23,-2.4 -2,-0.3 2,-0.2 -0.991 29.3 169.8-102.2 127.6 67.4 85.6 29.6 72 460 A D + 0 0 94 -2,-0.5 -25,-0.2 -25,-0.2 3,-0.1 -0.518 40.7 80.0-119.3-161.9 67.6 81.9 28.7 73 461 A G + 0 0 25 -27,-0.4 2,-0.3 1,-0.3 -26,-0.2 0.619 55.8 161.8 76.0 14.2 68.6 78.7 30.6 74 462 A I - 0 0 5 -28,-2.4 -1,-0.3 -3,-0.1 3,-0.1 -0.552 38.9-125.4 -66.4 126.9 65.1 78.5 32.2 75 463 A N - 0 0 82 -2,-0.3 -31,-0.1 1,-0.1 -1,-0.1 -0.395 36.2 -80.9 -79.3 145.9 64.7 74.9 33.4 76 464 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.226 71.4 141.4 -48.3 132.8 61.7 72.9 32.2 77 465 A A - 0 0 30 -35,-0.1 -33,-3.3 -3,-0.1 -32,-0.3 -0.961 56.8 -81.5-164.7 156.9 58.6 73.8 34.4 78 466 A P > - 0 0 67 0, 0.0 3,-1.5 0, 0.0 -38,-0.2 -0.413 65.9 -87.9 -62.9 149.4 54.8 74.3 34.2 79 467 A R T 3 S+ 0 0 29 1,-0.2 -38,-0.2 2,-0.1 -36,-0.1 -0.296 113.9 27.6 -58.3 144.0 54.0 77.8 33.0 80 468 A G T 3 S+ 0 0 7 -40,-0.8 146,-0.3 -38,-0.2 -1,-0.2 0.484 98.8 92.2 86.6 2.2 53.8 80.4 35.7 81 469 A M < + 0 0 116 -3,-1.5 -2,-0.1 144,-0.1 -1,-0.0 0.848 58.7 85.3 -94.8 -45.5 56.2 78.6 38.1 82 470 A P S S- 0 0 13 0, 0.0 2,-0.7 0, 0.0 -42,-0.3 -0.278 73.8-134.3 -60.1 147.9 59.7 80.0 37.3 83 471 A Q - 0 0 90 -44,-0.1 20,-2.5 -46,-0.0 2,-0.8 -0.923 22.8-176.5-105.8 113.5 60.4 83.2 39.2 84 472 A I E -FH 38 102C 0 -46,-3.4 -46,-3.1 -2,-0.7 2,-0.6 -0.909 11.0-159.0-114.9 98.8 61.9 85.7 37.0 85 473 A E E -FH 37 101C 45 16,-2.7 16,-2.6 -2,-0.8 2,-0.5 -0.737 4.4-164.8 -86.2 119.1 62.8 88.7 39.0 86 474 A V E -FH 36 100C 0 -50,-2.7 -50,-2.2 -2,-0.6 2,-0.5 -0.929 5.8-169.8-105.3 124.6 63.2 91.9 37.0 87 475 A T E -FH 35 99C 13 12,-2.3 12,-2.2 -2,-0.5 2,-0.5 -0.954 11.5-162.1-114.4 129.9 64.9 94.8 38.8 88 476 A F E -FH 34 98C 0 -54,-3.1 -54,-3.0 -2,-0.5 2,-0.4 -0.972 16.4-179.2-105.9 130.9 65.1 98.4 37.5 89 477 A D E -FH 33 97C 53 8,-2.1 8,-3.4 -2,-0.5 2,-0.5 -0.989 10.5-171.7-136.1 114.0 67.9 100.4 39.2 90 478 A I E -FH 32 96C 10 -58,-3.0 -58,-2.0 -2,-0.4 6,-0.2 -0.967 16.1-153.6-110.5 120.4 68.6 104.1 38.5 91 479 A D > - 0 0 42 4,-1.8 3,-2.6 -2,-0.5 -61,-0.0 -0.281 37.2 -88.0 -86.6 173.1 71.8 105.4 40.1 92 480 A A T 3 S+ 0 0 72 1,-0.3 -62,-0.1 2,-0.1 -1,-0.1 0.662 128.7 57.3 -52.7 -20.4 72.7 109.0 41.2 93 481 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 0, 0.0 22,-0.2 0.415 116.8-114.6 -91.0 1.7 74.1 109.5 37.6 94 482 A G < + 0 0 23 -3,-2.6 2,-0.4 1,-0.3 -2,-0.1 0.655 66.4 146.3 71.7 16.1 70.7 108.6 36.1 95 483 A I - 0 0 46 19,-0.1 -4,-1.8 20,-0.1 2,-0.5 -0.684 41.8-138.8 -79.5 133.9 72.0 105.4 34.4 96 484 A L E -HI 90 113C 8 17,-2.9 17,-2.8 -2,-0.4 2,-0.6 -0.863 14.8-167.9-100.3 126.8 69.4 102.7 34.3 97 485 A H E -HI 89 112C 45 -8,-3.4 -8,-2.1 -2,-0.5 2,-0.5 -0.961 4.7-171.2-109.8 119.7 70.3 99.0 35.0 98 486 A V E +HI 88 111C 0 13,-2.8 13,-2.3 -2,-0.6 2,-0.4 -0.964 11.2 177.1-112.1 119.6 67.7 96.5 34.1 99 487 A S E -HI 87 110C 20 -12,-2.2 -12,-2.3 -2,-0.5 2,-0.4 -0.920 18.6-160.8-122.0 147.3 68.4 93.0 35.2 100 488 A A E -HI 86 109C 0 9,-2.8 9,-1.9 -2,-0.4 2,-0.4 -0.984 13.2-173.5-128.2 125.4 66.4 89.7 35.0 101 489 A K E -HI 85 108C 73 -16,-2.6 -16,-2.7 -2,-0.4 2,-0.8 -0.942 21.2-141.1-119.0 134.8 67.3 86.9 37.3 102 490 A D E > -H 84 0C 1 5,-2.6 4,-2.6 -2,-0.4 -18,-0.2 -0.832 11.1-159.0 -88.2 110.7 66.0 83.3 37.4 103 491 A K T 4 S+ 0 0 96 -20,-2.5 -1,-0.1 -2,-0.8 -19,-0.1 0.793 88.7 46.8 -63.1 -28.3 65.6 82.4 41.0 104 492 A N T 4 S+ 0 0 115 -21,-0.4 -1,-0.2 1,-0.1 -30,-0.1 0.975 124.4 27.5 -76.0 -54.6 65.7 78.6 40.2 105 493 A S T 4 S- 0 0 43 2,-0.1 -2,-0.2 -30,-0.1 3,-0.1 0.822 96.2-133.8 -79.9 -34.6 68.6 78.5 37.8 106 494 A G < + 0 0 47 -4,-2.6 2,-0.1 1,-0.3 -3,-0.1 0.419 53.5 148.0 96.1 -0.5 70.4 81.5 39.3 107 495 A K - 0 0 105 -5,-0.1 -5,-2.6 -34,-0.1 2,-0.4 -0.415 26.4-168.7 -71.0 138.4 71.1 82.8 35.8 108 496 A E E -I 101 0C 100 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.971 10.5-178.5-131.3 142.6 71.1 86.6 35.3 109 497 A Q E -I 100 0C 98 -9,-1.9 -9,-2.8 -2,-0.4 2,-0.3 -0.988 11.8-169.4-139.2 153.5 71.2 88.9 32.2 110 498 A K E -I 99 0C 120 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.955 20.0-159.8-144.4 148.9 71.3 92.7 32.1 111 499 A I E -I 98 0C 36 -13,-2.3 -13,-2.8 -2,-0.3 2,-0.4 -0.983 15.1-153.9-125.0 140.2 71.0 95.8 29.9 112 500 A T E -I 97 0C 85 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.976 10.4-167.4-117.2 132.4 72.5 99.1 30.9 113 501 A I E -I 96 0C 11 -17,-2.8 -17,-2.9 -2,-0.4 -46,-0.0 -0.974 18.1-126.4-130.4 115.1 70.9 102.3 29.5 114 502 A K > - 0 0 130 -2,-0.5 3,-1.8 -19,-0.2 -19,-0.1 -0.168 24.4-110.1 -72.6 166.4 72.5 105.7 29.7 115 503 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -22,-0.2 -20,-0.1 0.637 116.1 57.3 -73.2 -17.6 70.9 108.8 31.2 116 504 A S T 3 S+ 0 0 94 2,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.422 85.1 104.8 -90.5 -7.3 70.6 110.4 27.7 117 505 A S < + 0 0 46 -3,-1.8 2,-0.2 -51,-0.0 -51,-0.1 -0.271 64.2 28.4 -64.6 162.3 68.6 107.5 26.2 118 506 A G S S- 0 0 25 -53,-0.2 2,-0.2 -52,-0.0 -53,-0.1 -0.520 101.3 -2.5 89.8-154.1 64.9 107.7 25.5 119 507 A L - 0 0 28 -2,-0.2 2,-0.0 1,-0.1 -110,-0.0 -0.516 60.8-131.6 -90.6 141.5 62.7 110.7 24.7 120 508 A N > - 0 0 88 -2,-0.2 4,-2.3 1,-0.0 5,-0.2 -0.222 41.1 -85.5 -78.7 174.7 63.8 114.3 24.6 121 509 A E H > S+ 0 0 158 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.898 127.8 48.0 -51.1 -46.5 62.0 117.2 26.3 122 510 A D H >> S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 3,-0.9 0.952 112.9 47.2 -57.6 -54.0 59.5 117.7 23.4 123 511 A E H 3> S+ 0 0 78 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.780 102.7 62.2 -63.5 -29.8 58.6 114.0 23.0 124 512 A I H 3X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.891 111.3 41.2 -59.4 -36.1 58.1 113.6 26.8 125 513 A Q H < S+ 0 0 156 -4,-1.6 3,-1.4 -5,-0.2 4,-0.3 0.931 111.9 51.0 -66.9 -50.6 45.8 111.8 27.9 133 521 A A H 3< S+ 0 0 78 -4,-2.9 3,-0.2 1,-0.3 4,-0.2 0.875 119.3 37.5 -53.8 -38.6 44.3 111.9 24.4 134 522 A N T 3X S+ 0 0 57 -4,-2.4 4,-3.5 1,-0.2 -1,-0.3 0.057 76.4 120.1-107.9 21.9 44.0 108.1 24.3 135 523 A A H <> S+ 0 0 56 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.940 80.9 44.0 -53.7 -51.7 43.1 107.3 27.9 136 524 A E H > S+ 0 0 137 -4,-0.3 4,-2.2 -3,-0.2 5,-0.2 0.954 115.3 48.6 -61.6 -52.8 39.8 105.6 26.9 137 525 A A H > S+ 0 0 54 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.917 112.2 49.4 -48.5 -52.1 41.4 103.7 24.0 138 526 A D H X S+ 0 0 8 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.860 109.5 50.7 -58.5 -40.6 44.3 102.5 26.2 139 527 A R H X S+ 0 0 106 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.914 110.0 50.2 -62.2 -43.7 42.0 101.3 29.0 140 528 A K H X S+ 0 0 119 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.941 110.1 50.4 -64.9 -42.6 40.0 99.3 26.5 141 529 A F H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.946 111.3 48.4 -55.2 -50.3 43.2 97.8 25.1 142 530 A E H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.863 110.9 50.5 -62.2 -38.2 44.2 96.8 28.7 143 531 A E H X S+ 0 0 64 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.886 110.3 50.3 -63.7 -42.0 40.8 95.3 29.4 144 532 A L H X S+ 0 0 25 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.912 111.5 48.1 -62.8 -42.1 41.0 93.3 26.1 145 533 A V H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.927 111.9 49.0 -62.4 -44.3 44.5 92.0 27.1 146 534 A Q H X S+ 0 0 119 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.966 113.0 48.2 -62.3 -49.3 43.3 91.1 30.6 147 535 A T H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.902 110.7 50.3 -55.7 -46.8 40.3 89.2 29.1 148 536 A R H X S+ 0 0 55 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.903 110.7 49.3 -63.7 -38.1 42.5 87.4 26.6 149 537 A N H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.868 111.6 50.2 -65.7 -39.5 45.0 86.3 29.4 150 538 A Q H X S+ 0 0 95 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.949 111.4 47.1 -62.1 -48.4 42.0 85.1 31.4 151 539 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.949 112.7 50.3 -57.9 -48.9 40.6 83.1 28.5 152 540 A D H X S+ 0 0 39 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.875 109.0 50.5 -56.1 -45.7 44.0 81.7 27.8 153 541 A H H X S+ 0 0 80 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.939 112.0 48.4 -56.7 -43.1 44.5 80.6 31.5 154 542 A L H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.871 112.9 49.2 -66.5 -36.6 41.1 78.9 31.4 155 543 A L H X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.963 115.4 41.0 -64.4 -57.6 42.0 77.2 28.1 156 544 A H H X S+ 0 0 31 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.891 117.9 48.3 -59.3 -45.9 45.3 75.9 29.3 157 545 A S H X S+ 0 0 25 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.914 109.6 50.5 -62.4 -47.8 44.0 75.0 32.7 158 546 A T H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.873 108.5 53.5 -64.3 -35.8 40.9 73.1 31.4 159 547 A R H X S+ 0 0 103 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.933 109.4 47.2 -61.9 -48.5 43.1 71.1 29.0 160 548 A K H X S+ 0 0 90 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.906 113.7 50.0 -55.4 -46.6 45.4 70.0 31.9 161 549 A Q H X S+ 0 0 58 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.865 107.8 51.6 -67.4 -38.9 42.2 69.1 34.0 162 550 A V H X S+ 0 0 18 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.937 112.4 48.2 -57.9 -48.3 40.7 67.1 31.1 163 551 A E H < S+ 0 0 157 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.977 112.9 46.2 -53.4 -60.3 44.0 65.3 31.0 164 552 A E H < S+ 0 0 130 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.6 53.8 -53.1 -31.8 44.1 64.6 34.8 165 553 A A H >< S+ 0 0 5 -4,-1.8 3,-2.3 1,-0.2 -1,-0.2 0.879 74.9 155.3 -70.1 -45.0 40.4 63.5 34.8 166 554 A G G >< S+ 0 0 42 -4,-1.9 3,-0.7 -3,-0.4 -1,-0.2 -0.297 74.6 3.7 52.7-112.7 40.8 60.9 32.1 167 555 A D G 3 S+ 0 0 170 1,-0.2 -1,-0.3 -2,-0.2 4,-0.1 0.667 118.9 75.4 -76.9 -21.7 38.1 58.3 32.5 168 556 A K G < S+ 0 0 121 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.815 82.1 79.3 -60.4 -31.6 36.4 60.1 35.4 169 557 A L S < S- 0 0 10 -3,-0.7 41,-0.0 -7,-0.2 -7,-0.0 -0.708 88.3-122.1 -82.7 122.5 34.9 62.6 32.9 170 558 A P > - 0 0 53 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.237 21.3-112.8 -61.6 151.7 31.8 61.3 31.0 171 559 A A H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.924 115.8 50.3 -49.7 -54.2 31.8 61.1 27.2 172 560 A D H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 111.6 46.8 -62.4 -42.4 29.1 63.8 26.8 173 561 A D H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.963 112.7 51.4 -55.2 -51.4 30.9 66.3 29.2 174 562 A K H X S+ 0 0 91 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.921 109.9 47.4 -54.3 -49.5 34.2 65.7 27.4 175 563 A T H X S+ 0 0 94 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.898 114.3 48.2 -57.7 -38.7 32.8 66.3 23.9 176 564 A A H X S+ 0 0 35 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.945 113.0 46.2 -73.5 -46.5 31.0 69.5 25.1 177 565 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 29,-0.3 -1,-0.2 0.907 111.6 52.2 -54.7 -49.2 34.1 70.9 26.9 178 566 A E H X S+ 0 0 91 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.868 109.9 47.5 -59.0 -40.5 36.3 70.1 24.0 179 567 A S H X S+ 0 0 62 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.917 111.7 51.5 -69.7 -37.1 34.1 71.9 21.5 180 568 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.871 109.0 51.8 -57.7 -39.5 33.9 74.9 24.0 181 569 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.853 108.8 49.7 -68.9 -34.1 37.7 74.9 24.1 182 570 A T H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.942 112.4 47.5 -65.9 -46.9 37.9 75.0 20.3 183 571 A A H X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.893 113.0 49.5 -59.5 -39.0 35.5 77.9 20.2 184 572 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.942 109.8 49.7 -65.9 -48.7 37.5 79.6 22.9 185 573 A E H X S+ 0 0 79 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.838 109.4 52.4 -55.1 -44.0 40.8 79.1 21.1 186 574 A T H < S+ 0 0 98 -4,-2.6 3,-0.4 2,-0.2 -1,-0.2 0.942 112.2 46.3 -55.9 -49.0 39.3 80.5 18.0 187 575 A A H >< S+ 0 0 16 -4,-2.2 3,-2.7 1,-0.2 5,-0.4 0.884 103.1 60.6 -66.0 -41.1 38.1 83.6 19.9 188 576 A L H 3< S+ 0 0 20 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 96.1 66.6 -55.7 -28.4 41.5 84.1 21.7 189 577 A K T 3< S+ 0 0 178 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.594 101.5 56.5 -63.6 -10.3 42.8 84.5 18.1 190 578 A G S < S- 0 0 24 -3,-2.7 -3,-0.0 2,-0.1 0, 0.0 -0.324 82.3-118.8-111.6-164.1 40.7 87.8 17.6 191 579 A E S S+ 0 0 144 -2,-0.1 2,-0.8 -43,-0.0 -3,-0.1 -0.116 70.6 118.5-127.9 35.1 40.3 91.2 19.3 192 580 A D > - 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