==== 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 03-MAY-12 4EZY . COMPND 2 MOLECULE: CHAPERONE PROTEIN DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZAHN,N.STRAETER . 224 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) . 168 75.0 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 22.3 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 35.3 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 0 0 1 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 . 1 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 1 389 A V 0 0 166 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.0 66.4 122.1 46.7 2 390 A L + 0 0 188 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.460 360.0 39.7 -97.1 -7.3 65.5 124.3 43.7 3 391 A L - 0 0 136 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.986 61.4-162.1-146.4 146.5 65.7 121.4 41.5 4 392 A L - 0 0 110 -2,-0.3 2,-0.7 -3,-0.1 25,-0.0 -0.995 20.2-134.7-126.2 144.9 64.8 117.7 41.2 5 393 A D + 0 0 101 -2,-0.3 25,-2.0 25,-0.3 2,-0.3 -0.845 42.4 165.1 -84.0 113.3 65.8 114.9 39.0 6 394 A V B -A 29 0A 62 -2,-0.7 23,-0.2 23,-0.2 20,-0.1 -0.963 43.8-106.9-129.6 153.3 62.6 113.2 37.9 7 395 A T - 0 0 10 21,-2.5 20,-3.1 -2,-0.3 21,-0.1 -0.628 23.2-157.9 -69.7 124.1 61.6 110.7 35.3 8 396 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.709 75.9 24.6 -78.2 -19.3 59.6 112.5 32.7 9 397 A L S S- 0 0 1 16,-0.1 19,-0.1 19,-0.1 47,-0.1 -0.986 90.9 -94.6-143.0 148.6 57.9 109.3 31.5 10 398 A S - 0 0 9 -2,-0.3 45,-3.2 16,-0.1 2,-0.4 -0.239 37.0-152.3 -55.7 152.2 57.1 105.9 32.9 11 399 A L E +BC 24 54B 12 13,-2.4 13,-3.1 43,-0.2 12,-2.7 -0.991 34.2 110.1-131.6 135.2 59.6 103.0 32.2 12 400 A G E -BC 22 53B 0 41,-2.4 41,-3.4 -2,-0.4 2,-0.3 -0.832 50.2 -77.7-169.6-147.7 58.8 99.3 32.0 13 401 A I E -BC 21 52B 0 8,-1.9 8,-3.2 39,-0.3 2,-0.5 -0.863 36.1-100.1-137.2 160.6 58.6 96.2 29.9 14 402 A E E -B 20 0B 68 37,-1.5 37,-0.4 -2,-0.3 209,-0.3 -0.759 41.2-175.2 -85.9 127.0 56.3 94.5 27.4 15 403 A T E >> -B 19 0B 6 4,-2.4 4,-1.7 -2,-0.5 3,-1.7 -0.675 42.5 -49.5-114.0 174.8 54.2 91.7 28.9 16 404 A M T 34 S+ 0 0 20 207,-3.0 -1,-0.1 1,-0.3 133,-0.1 -0.070 124.4 32.5 -49.5 128.0 51.8 89.2 27.4 17 405 A G T 34 S- 0 0 31 1,-0.1 -1,-0.3 -3,-0.1 128,-0.1 0.273 126.0 -81.6 106.7 -3.7 49.2 90.8 25.1 18 406 A G T <4 S+ 0 0 19 -3,-1.7 42,-2.5 1,-0.2 43,-0.4 0.850 86.1 147.7 74.1 34.5 51.6 93.5 23.9 19 407 A V E < -BD 15 59B 12 -4,-1.7 -4,-2.4 40,-0.2 2,-0.6 -0.737 51.0-122.3-106.0 150.4 51.0 95.7 27.0 20 408 A M E -B 14 0B 7 38,-2.3 2,-0.6 -2,-0.3 -6,-0.2 -0.821 24.1-163.3 -88.6 124.3 53.5 98.0 28.7 21 409 A T E -B 13 0B 16 -8,-3.2 -8,-1.9 -2,-0.6 2,-0.3 -0.957 19.6-131.6-105.4 125.2 53.8 97.0 32.4 22 410 A T E +B 12 0B 50 -2,-0.6 -10,-0.3 -10,-0.2 3,-0.2 -0.566 32.2 171.0 -88.0 132.6 55.4 99.9 34.4 23 411 A L E S+ 0 0 7 -12,-2.7 2,-0.5 1,-0.3 -11,-0.2 0.719 80.4 29.0 -97.4 -40.9 58.3 99.3 36.7 24 412 A I E S-B 11 0B 0 -13,-3.1 -13,-2.4 10,-0.1 -1,-0.3 -0.970 87.4-134.2-122.5 114.6 59.2 103.0 37.5 25 413 A A > - 0 0 53 -2,-0.5 3,-0.9 -15,-0.2 -18,-0.2 -0.359 33.6 -85.3 -64.8 146.5 56.2 105.5 37.3 26 414 A K T 3 S+ 0 0 71 1,-0.2 -1,-0.1 29,-0.1 -16,-0.1 -0.178 113.5 21.5 -36.4 135.1 56.4 108.9 35.5 27 415 A N T 3 S+ 0 0 86 -20,-3.1 2,-0.3 1,-0.3 -1,-0.2 0.793 80.6 152.2 64.8 34.0 57.9 111.7 37.8 28 416 A T < - 0 0 29 -3,-0.9 -21,-2.5 -19,-0.1 2,-0.3 -0.748 48.2-119.0 -87.5 142.4 59.7 109.3 40.2 29 417 A T B -A 6 0A 74 -2,-0.3 -23,-0.2 -23,-0.2 -1,-0.0 -0.614 43.8 -96.8 -82.7 138.2 62.7 111.1 41.7 30 418 A I S S+ 0 0 25 -25,-2.0 -25,-0.3 -2,-0.3 2,-0.1 -0.786 94.4 58.1-107.6 156.9 66.0 109.5 40.9 31 419 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.472 78.0 148.4 -69.2 155.1 68.1 107.6 42.0 32 420 A T E -F 90 0C 23 58,-2.1 58,-2.6 -2,-0.1 2,-0.4 -0.989 32.8-161.2-155.8 151.3 65.5 104.8 42.3 33 421 A K E +F 89 0C 142 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.982 15.7 171.5-139.1 123.8 65.5 101.0 42.1 34 422 A H E -F 88 0C 75 54,-2.3 54,-2.8 -2,-0.4 2,-0.3 -0.983 7.2-171.2-128.5 146.2 62.2 98.9 41.6 35 423 A S E +F 87 0C 52 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.958 7.5 179.2-134.5 152.5 61.7 95.2 40.9 36 424 A Q E -F 86 0C 72 50,-2.1 50,-2.9 -2,-0.3 2,-0.5 -0.967 26.3-123.9-145.9 159.5 58.9 92.9 40.0 37 425 A V E +F 85 0C 66 -2,-0.3 48,-0.2 48,-0.2 2,-0.2 -0.911 30.1 178.6-113.2 129.4 58.8 89.1 39.4 38 426 A F E -F 84 0C 2 46,-3.0 46,-3.2 -2,-0.5 2,-0.3 -0.617 8.1-156.2-118.0 176.8 57.5 87.8 36.1 39 427 A S E -I 224 0D 10 185,-1.9 185,-2.6 -2,-0.2 2,-0.1 -0.873 28.1 -71.8-146.8-172.9 57.1 84.3 34.6 40 428 A T E -I 223 0D 1 -2,-0.3 40,-1.2 183,-0.2 183,-0.2 -0.421 21.4-147.6 -89.4 152.2 56.8 82.4 31.4 41 429 A A S S+ 0 0 0 181,-1.1 2,-0.3 38,-0.2 38,-0.1 0.710 78.0 43.4 -89.1 -22.0 53.8 82.4 29.0 42 430 A E S > S- 0 0 83 180,-0.2 3,-1.6 36,-0.1 38,-0.1 -0.947 88.5 -97.4-127.6 151.1 54.2 78.7 27.7 43 431 A D T 3 S+ 0 0 80 -2,-0.3 -2,-0.1 1,-0.3 37,-0.0 -0.286 110.8 12.3 -58.7 140.4 54.9 75.3 29.0 44 432 A N T 3 S+ 0 0 109 33,-2.8 -1,-0.3 1,-0.2 2,-0.3 0.689 84.6 169.1 64.9 16.7 58.6 74.4 28.6 45 433 A Q < - 0 0 15 -3,-1.6 -1,-0.2 32,-0.4 -5,-0.1 -0.477 15.8-172.4 -59.2 124.7 59.6 78.0 27.7 46 434 A S + 0 0 74 -2,-0.3 28,-2.1 1,-0.1 2,-0.3 0.535 61.2 27.6-102.1 -7.1 63.4 78.2 27.7 47 435 A A - 0 0 5 25,-0.2 2,-0.4 26,-0.2 25,-0.2 -0.992 58.1-150.3-150.3 155.2 63.9 82.0 27.3 48 436 A V E - E 0 71B 0 23,-2.3 23,-2.6 -2,-0.3 2,-0.6 -0.966 15.2-139.9-126.4 142.7 62.2 85.4 28.0 49 437 A T E - E 0 70B 29 172,-2.1 2,-0.7 -2,-0.4 21,-0.2 -0.938 11.0-155.1-101.7 119.3 62.6 88.5 25.9 50 438 A I E - E 0 69B 0 19,-3.2 19,-1.9 -2,-0.6 2,-0.7 -0.886 11.5-171.8 -93.7 108.5 62.8 91.8 28.1 51 439 A H E - E 0 68B 28 -2,-0.7 -37,-1.5 -37,-0.4 2,-0.3 -0.953 14.1-145.8-106.3 110.8 61.6 94.6 25.8 52 440 A V E -CE 13 67B 0 15,-2.6 14,-2.9 -2,-0.7 15,-0.9 -0.607 19.8-171.7 -84.1 131.3 62.3 97.9 27.6 53 441 A L E -CE 12 65B 0 -41,-3.4 -41,-2.4 -2,-0.3 2,-0.4 -0.929 18.8-159.3-130.7 148.6 59.8 100.8 27.1 54 442 A Q E +CE 11 64B 18 10,-2.6 10,-3.0 -2,-0.3 2,-0.3 -0.996 50.9 54.1-124.6 127.7 59.4 104.4 27.9 55 443 A G S S- 0 0 0 -45,-3.2 8,-0.1 -2,-0.4 -29,-0.1 -0.853 75.8 -90.2 146.3-173.3 56.1 106.1 27.9 56 444 A E S S+ 0 0 45 -2,-0.3 2,-0.2 6,-0.2 -1,-0.1 0.265 76.8 108.9-118.7 3.9 52.5 106.4 29.1 57 445 A R - 0 0 26 2,-0.1 -37,-0.2 1,-0.1 6,-0.1 -0.553 62.6-139.0 -84.9 149.7 50.5 104.3 26.5 58 446 A K S S+ 0 0 73 -2,-0.2 -38,-2.3 -39,-0.1 2,-0.5 0.864 87.0 76.5 -77.6 -32.8 49.0 100.9 27.4 59 447 A R B > S-D 19 0B 102 -40,-0.2 3,-1.9 1,-0.2 4,-0.4 -0.647 77.0-144.9 -77.6 122.4 50.0 99.3 24.0 60 448 A A G > S+ 0 0 2 -42,-2.5 3,-1.7 -2,-0.5 -1,-0.2 0.883 99.8 59.9 -48.5 -45.9 53.8 98.5 24.1 61 449 A A G 3 S+ 0 0 86 -43,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.649 99.5 58.0 -62.1 -17.7 54.0 99.4 20.4 62 450 A D G < S+ 0 0 67 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.490 98.4 74.1 -94.6 -3.0 52.8 103.0 21.2 63 451 A N S < S- 0 0 14 -3,-1.7 2,-0.4 -4,-0.4 -8,-0.2 -0.601 96.2 -89.7 -99.2 167.9 55.7 103.6 23.6 64 452 A K E -E 54 0B 88 -10,-3.0 -10,-2.6 -2,-0.2 2,-0.6 -0.680 36.1-133.0 -82.3 126.8 59.3 104.3 22.9 65 453 A S E -E 53 0B 60 -2,-0.4 -12,-0.2 -12,-0.2 53,-0.2 -0.684 22.5-178.7 -80.2 116.9 61.5 101.2 22.7 66 454 A L E - 0 0 30 -14,-2.9 2,-0.2 -2,-0.6 -13,-0.2 0.649 59.3 -64.7 -92.3 -12.3 64.7 101.6 24.7 67 455 A G E -E 52 0B 19 -15,-0.9 -15,-2.6 46,-0.1 -1,-0.4 -0.810 44.5-128.0 153.4 170.0 66.2 98.2 23.9 68 456 A Q E +E 51 0B 116 -2,-0.2 2,-0.3 -17,-0.2 -17,-0.2 -0.988 19.1 171.8-147.6 157.4 65.7 94.5 24.3 69 457 A F E -E 50 0B 26 -19,-1.9 -19,-3.2 -2,-0.3 2,-0.3 -0.962 24.0-124.9-152.1 162.3 67.6 91.5 25.4 70 458 A N E -E 49 0B 64 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.806 3.6-150.6-110.8 148.6 66.9 87.8 26.1 71 459 A L E -E 48 0B 0 -23,-2.6 -23,-2.3 -2,-0.3 3,-0.2 -0.994 28.0-178.2-113.3 118.5 67.4 85.7 29.2 72 460 A D + 0 0 87 -2,-0.5 -25,-0.2 -25,-0.2 35,-0.0 -0.281 48.2 64.0 -97.9-177.9 68.0 82.0 28.2 73 461 A G + 0 0 37 1,-0.3 2,-0.4 -27,-0.2 -26,-0.2 0.646 55.5 160.5 75.0 16.7 68.5 78.8 30.1 74 462 A I - 0 0 8 -28,-2.1 -1,-0.3 -3,-0.2 3,-0.1 -0.565 42.4-122.5 -65.2 125.9 65.1 78.7 31.9 75 463 A N - 0 0 91 -2,-0.4 -31,-0.1 1,-0.1 -30,-0.1 -0.392 38.4 -79.9 -76.1 154.8 64.7 75.0 32.9 76 464 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.187 71.1 139.8 -60.5 135.3 61.6 73.1 31.7 77 465 A A - 0 0 32 -35,-0.1 -33,-2.8 -3,-0.1 -32,-0.4 -0.967 57.1 -79.9-166.8 159.9 58.5 73.9 33.7 78 466 A P > - 0 0 73 0, 0.0 3,-1.6 0, 0.0 -38,-0.2 -0.368 65.2 -85.3 -63.5 148.5 54.8 74.5 33.4 79 467 A R T 3 S+ 0 0 36 1,-0.2 -38,-0.2 2,-0.1 -36,-0.1 -0.200 114.7 26.3 -50.8 147.4 54.0 78.1 32.2 80 468 A G T 3 S+ 0 0 35 -40,-1.2 -1,-0.2 -38,-0.1 -39,-0.1 0.472 99.2 91.1 81.6 -1.0 53.7 80.6 35.1 81 469 A M < + 0 0 122 -3,-1.6 -2,-0.1 2,-0.0 -1,-0.1 0.878 60.1 85.2 -94.2 -42.9 56.1 78.7 37.4 82 470 A P S S- 0 0 19 0, 0.0 2,-0.7 0, 0.0 -42,-0.2 -0.183 70.9-138.7 -56.0 151.6 59.5 80.2 36.7 83 471 A Q - 0 0 104 -44,-0.1 20,-2.8 -46,-0.1 2,-0.7 -0.909 21.2-179.2-120.6 114.4 60.4 83.3 38.6 84 472 A I E -FG 38 102C 0 -46,-3.2 -46,-3.0 -2,-0.7 2,-0.5 -0.920 14.7-153.2-116.2 107.2 62.1 85.9 36.6 85 473 A E E -FG 37 101C 45 16,-3.3 16,-2.3 -2,-0.7 2,-0.5 -0.772 7.7-164.5 -91.4 128.5 62.9 89.0 38.6 86 474 A V E -FG 36 100C 0 -50,-2.9 -50,-2.1 -2,-0.5 2,-0.4 -0.929 5.4-171.0-113.2 121.9 63.2 92.2 36.6 87 475 A T E -FG 35 99C 11 12,-2.4 12,-2.3 -2,-0.5 2,-0.5 -0.970 12.0-161.2-117.7 134.5 64.9 95.2 38.2 88 476 A F E -FG 34 98C 0 -54,-2.8 -54,-2.3 -2,-0.4 2,-0.5 -0.979 17.0-178.5-112.2 119.9 65.0 98.8 36.8 89 477 A D E -FG 33 97C 60 8,-2.5 8,-2.7 -2,-0.5 2,-0.6 -0.974 9.2-173.3-126.7 110.4 67.8 100.7 38.6 90 478 A I E -FG 32 96C 10 -58,-2.6 -58,-2.1 -2,-0.5 6,-0.2 -0.945 17.3-154.3-107.1 119.5 68.4 104.4 37.7 91 479 A D > - 0 0 40 4,-1.9 3,-2.4 -2,-0.6 -61,-0.0 -0.195 35.4 -86.4 -85.7 175.4 71.5 105.8 39.3 92 480 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 -62,-0.1 0.683 126.9 57.3 -49.6 -28.4 72.5 109.3 40.4 93 481 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 0, 0.0 22,-0.2 0.304 117.4-110.7 -88.0 5.2 73.9 109.9 36.8 94 482 A G < + 0 0 29 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.619 69.9 143.8 72.4 14.3 70.5 109.1 35.1 95 483 A I - 0 0 46 19,-0.1 -4,-1.9 20,-0.1 2,-0.5 -0.696 42.7-141.3 -86.4 132.8 71.8 105.8 33.6 96 484 A L E -GH 90 113C 8 17,-2.6 17,-3.0 -2,-0.4 2,-0.5 -0.883 14.4-169.6-100.6 122.7 69.1 103.0 33.6 97 485 A H E -GH 89 112C 59 -8,-2.7 -8,-2.5 -2,-0.5 2,-0.5 -0.965 4.8-170.6-107.5 119.3 70.3 99.4 34.3 98 486 A V E +GH 88 111C 0 13,-3.0 13,-2.4 -2,-0.5 2,-0.4 -0.948 7.9 178.7-111.3 125.0 67.7 96.7 33.6 99 487 A S E -GH 87 110C 14 -12,-2.3 -12,-2.4 -2,-0.5 2,-0.4 -0.975 17.7-160.4-126.8 152.7 68.4 93.2 34.7 100 488 A A E -GH 86 109C 0 9,-2.9 9,-2.4 -2,-0.4 2,-0.4 -1.000 14.4-174.6-130.5 125.8 66.4 89.9 34.5 101 489 A K E -GH 85 108C 70 -16,-2.3 -16,-3.3 -2,-0.4 2,-0.6 -0.989 21.5-141.8-123.6 129.9 67.4 87.1 36.9 102 490 A D E > -G 84 0C 2 5,-2.7 4,-3.0 -2,-0.4 5,-0.2 -0.769 13.6-154.8 -87.1 119.4 66.0 83.6 36.9 103 491 A K T 4 S+ 0 0 102 -20,-2.8 -1,-0.1 -2,-0.6 -19,-0.1 0.703 89.0 57.8 -76.6 -19.8 65.7 82.7 40.6 104 492 A N T 4 S+ 0 0 112 -21,-0.3 -1,-0.2 1,-0.1 -20,-0.0 0.969 123.8 20.6 -66.2 -55.9 66.0 78.9 40.1 105 493 A S T 4 S- 0 0 57 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.754 93.5-129.0 -87.4 -24.0 69.4 79.2 38.3 106 494 A G < + 0 0 47 -4,-3.0 -3,-0.1 1,-0.3 2,-0.1 0.436 57.0 152.2 80.8 -0.9 70.6 82.5 39.5 107 495 A K - 0 0 97 -5,-0.2 -5,-2.7 -34,-0.1 2,-0.4 -0.344 21.9-174.4 -58.6 138.0 71.3 83.3 35.8 108 496 A E E -H 101 0C 70 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.986 17.8-173.4-142.8 142.2 71.1 87.0 35.0 109 497 A Q E -H 100 0C 90 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.3 -0.983 13.2-165.0-130.7 152.8 71.2 89.3 31.9 110 498 A K E -H 99 0C 127 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.936 15.7-159.2-132.8 151.3 71.3 93.1 31.7 111 499 A I E -H 98 0C 34 -13,-2.4 -13,-3.0 -2,-0.3 2,-0.4 -0.976 14.2-153.3-122.9 140.3 70.9 95.9 29.4 112 500 A T E -H 97 0C 84 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.979 7.3-166.7-114.5 132.2 72.3 99.4 30.2 113 501 A I E -H 96 0C 11 -17,-3.0 -17,-2.6 -2,-0.4 -46,-0.1 -0.972 19.9-129.6-127.6 112.3 70.6 102.5 28.7 114 502 A K > - 0 0 145 -2,-0.5 3,-2.0 -19,-0.2 -19,-0.1 -0.151 26.2-106.1 -70.0 161.6 72.6 105.7 28.8 115 503 A A T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -22,-0.2 -20,-0.1 0.726 116.4 59.5 -65.9 -22.6 70.9 108.9 30.2 116 504 A S T 3 S+ 0 0 96 4,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.570 85.0 103.7 -82.1 -11.2 70.5 110.4 26.7 117 505 A S < + 0 0 46 -3,-2.0 -51,-0.1 -51,-0.0 2,-0.1 -0.079 61.4 31.2 -65.6 170.7 68.4 107.6 25.3 118 506 A G S S- 0 0 22 -53,-0.2 2,-0.2 -52,-0.1 -53,-0.1 -0.332 101.1 -6.0 80.4-159.4 64.6 107.7 24.7 119 507 A L - 0 0 24 1,-0.1 -110,-0.0 -55,-0.1 -64,-0.0 -0.442 61.6-131.7 -83.9 140.7 62.4 110.5 23.8 120 508 A N > - 0 0 82 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.146 41.3 -87.9 -75.3 176.1 63.5 114.1 23.6 121 509 A E H > S+ 0 0 155 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 127.6 52.5 -56.9 -40.1 61.5 117.0 25.3 122 510 A D H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 113.3 43.3 -64.1 -35.5 59.2 117.5 22.2 123 511 A E H > S+ 0 0 83 -3,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.844 109.6 57.9 -78.2 -30.5 58.3 113.8 22.1 124 512 A I H X S+ 0 0 29 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.956 109.8 43.7 -62.5 -48.1 57.9 113.7 25.8 125 513 A Q H X S+ 0 0 108 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.928 114.2 50.2 -63.2 -44.4 55.3 116.4 25.6 126 514 A K H X S+ 0 0 120 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.938 110.3 51.2 -55.9 -46.0 53.6 114.7 22.6 127 515 A M H X S+ 0 0 15 -4,-3.5 4,-2.6 1,-0.2 5,-0.2 0.895 108.4 51.0 -55.4 -46.2 53.6 111.4 24.5 128 516 A V H X S+ 0 0 59 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.885 115.1 41.7 -69.7 -36.2 51.9 113.0 27.6 129 517 A R H X S+ 0 0 136 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.850 113.4 53.2 -81.2 -32.1 49.1 114.6 25.6 130 518 A D H X S+ 0 0 48 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.886 107.5 51.2 -61.2 -43.5 48.7 111.5 23.3 131 519 A A H < S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.897 114.9 45.2 -58.0 -43.1 48.2 109.3 26.4 132 520 A E H >< S+ 0 0 166 -4,-1.4 3,-1.2 -5,-0.2 4,-0.2 0.913 111.3 50.4 -67.9 -39.1 45.6 111.9 27.5 133 521 A A H 3< S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 119.7 39.3 -68.2 -21.8 43.9 112.0 24.0 134 522 A N T 3X S+ 0 0 53 -4,-1.4 4,-2.9 -5,-0.2 5,-0.3 0.101 71.6 120.0-118.3 23.3 43.7 108.3 24.1 135 523 A A H <> S+ 0 0 64 -3,-1.2 4,-1.9 1,-0.2 -1,-0.1 0.908 83.6 46.4 -63.8 -38.5 42.8 107.3 27.6 136 524 A E H > S+ 0 0 103 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.942 112.2 45.7 -66.3 -53.2 39.7 105.7 26.4 137 525 A A H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.895 114.8 51.4 -59.1 -39.6 41.1 103.7 23.4 138 526 A D H X S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.873 108.1 51.5 -63.9 -38.9 43.9 102.6 25.7 139 527 A R H X S+ 0 0 101 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.926 109.9 48.1 -62.6 -43.8 41.4 101.5 28.4 140 528 A K H X S+ 0 0 125 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 111.6 51.2 -65.3 -41.4 39.5 99.4 25.8 141 529 A F H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.905 109.5 50.1 -56.0 -44.3 42.8 97.9 24.7 142 530 A E H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 110.6 49.1 -62.2 -43.4 43.7 97.0 28.3 143 531 A E H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.863 110.7 51.0 -66.0 -33.1 40.4 95.3 28.8 144 532 A L H X S+ 0 0 20 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.936 110.0 48.3 -69.6 -43.9 40.8 93.3 25.6 145 533 A V H X S+ 0 0 6 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.920 111.7 51.1 -61.8 -37.6 44.2 92.1 26.6 146 534 A Q H X S+ 0 0 113 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.945 112.2 46.0 -65.5 -50.2 42.9 91.1 30.0 147 535 A T H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.912 113.4 49.2 -54.7 -53.3 40.0 89.2 28.4 148 536 A R H X S+ 0 0 44 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.915 112.0 48.8 -56.9 -40.7 42.4 87.5 25.9 149 537 A N H X S+ 0 0 48 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.866 111.2 48.9 -67.1 -39.4 44.8 86.5 28.8 150 538 A Q H X S+ 0 0 102 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.885 111.6 51.0 -66.7 -35.2 41.9 85.1 30.9 151 539 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.889 109.5 49.3 -70.0 -37.3 40.7 83.1 27.9 152 540 A D H X S+ 0 0 31 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.911 110.6 51.2 -69.4 -42.1 44.2 81.8 27.3 153 541 A H H X S+ 0 0 111 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.942 112.1 46.4 -52.4 -53.1 44.4 80.8 31.0 154 542 A L H X S+ 0 0 48 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.915 112.7 50.6 -56.1 -45.7 41.0 79.0 30.7 155 543 A L H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.945 116.2 40.0 -54.7 -55.1 42.1 77.3 27.5 156 544 A H H X S+ 0 0 33 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.911 117.5 46.4 -68.0 -44.5 45.4 76.0 28.9 157 545 A S H X S+ 0 0 12 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.871 111.9 50.9 -66.9 -37.7 44.1 75.0 32.3 158 546 A T H X S+ 0 0 3 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.894 109.4 51.7 -68.2 -41.9 41.1 73.2 31.0 159 547 A R H X S+ 0 0 90 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.920 110.8 47.6 -60.4 -43.7 43.3 71.2 28.6 160 548 A K H X S+ 0 0 96 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.896 113.4 48.8 -60.8 -41.2 45.6 70.2 31.5 161 549 A Q H X S+ 0 0 48 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.854 106.4 54.9 -73.5 -34.5 42.5 69.2 33.5 162 550 A V H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.955 111.2 47.2 -57.0 -49.0 40.9 67.1 30.7 163 551 A E H < S+ 0 0 158 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 112.5 47.0 -57.4 -49.3 44.2 65.2 30.6 164 552 A E H < S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 110.9 55.0 -63.9 -30.0 44.4 64.6 34.4 165 553 A A H >< S+ 0 0 4 -4,-2.0 3,-2.0 -5,-0.2 -1,-0.2 0.884 77.1 159.7 -66.0 -42.6 40.7 63.6 34.3 166 554 A G G >< S- 0 0 41 -4,-2.0 3,-1.6 1,-0.3 -1,-0.1 -0.217 74.3 -5.5 50.7-130.4 41.2 60.8 31.6 167 555 A D G 3 S+ 0 0 167 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.642 119.1 81.0 -74.0 -11.0 38.3 58.4 31.8 168 556 A K G < S+ 0 0 127 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.813 79.7 84.6 -56.5 -28.9 36.7 60.0 34.9 169 557 A L S < S- 0 0 12 -3,-1.6 5,-0.1 -7,-0.2 41,-0.0 -0.665 89.5-121.6 -81.3 121.1 35.3 62.5 32.3 170 558 A P > - 0 0 52 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.286 20.7-121.1 -58.7 144.8 32.0 61.3 30.6 171 559 A A H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 112.4 53.9 -61.0 -43.5 32.3 61.0 26.8 172 560 A D H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 110.6 48.8 -49.3 -47.7 29.4 63.5 26.2 173 561 A D H > S+ 0 0 45 -3,-0.2 4,-3.2 1,-0.2 5,-0.2 0.940 109.8 49.9 -62.8 -44.5 31.2 66.0 28.4 174 562 A K H X S+ 0 0 89 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.866 109.3 51.6 -65.6 -35.3 34.6 65.6 26.7 175 563 A T H X S+ 0 0 101 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.915 113.4 44.8 -63.9 -42.4 33.0 66.1 23.3 176 564 A A H X S+ 0 0 36 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.944 115.7 46.8 -68.7 -49.8 31.3 69.3 24.4 177 565 A I H X S+ 0 0 0 -4,-3.2 4,-2.2 29,-0.3 5,-0.2 0.933 112.4 49.4 -56.9 -47.0 34.5 70.6 26.2 178 566 A E H X S+ 0 0 82 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.879 109.8 49.6 -65.8 -34.1 36.8 69.8 23.2 179 567 A S H X S+ 0 0 72 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.921 112.6 50.1 -68.7 -39.5 34.6 71.5 20.7 180 568 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.846 107.3 51.8 -68.4 -32.8 34.5 74.5 23.0 181 569 A L H X S+ 0 0 3 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.906 109.2 51.8 -68.6 -37.2 38.3 74.7 23.5 182 570 A T H X S+ 0 0 88 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.968 111.8 46.5 -61.2 -46.3 38.7 74.6 19.6 183 571 A A H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.876 113.7 48.1 -61.0 -46.6 36.2 77.5 19.4 184 572 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 15,-0.2 -2,-0.2 0.955 108.8 53.0 -57.9 -52.4 38.0 79.4 22.2 185 573 A E H X S+ 0 0 77 -4,-3.2 4,-0.7 1,-0.2 -2,-0.2 0.895 111.9 47.4 -47.0 -42.5 41.5 78.8 20.6 186 574 A T H >< S+ 0 0 91 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.908 111.2 48.9 -68.7 -44.4 40.1 80.3 17.3 187 575 A A H >< S+ 0 0 16 -4,-2.1 3,-2.1 1,-0.3 5,-0.3 0.854 102.5 64.7 -65.4 -38.4 38.5 83.4 19.0 188 576 A L H 3< S+ 0 0 18 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.754 94.4 59.9 -57.1 -25.9 41.8 84.0 20.9 189 577 A K T << S+ 0 0 154 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.588 102.2 66.6 -78.9 -10.8 43.4 84.7 17.6 190 578 A G S < S- 0 0 28 -3,-2.1 -3,-0.0 -4,-0.2 0, 0.0 -0.154 82.4-119.5 -96.8-162.5 41.1 87.6 16.9 191 579 A E S S+ 0 0 136 -2,-0.1 2,-0.9 -43,-0.0 -3,-0.1 0.131 70.9 112.7-122.7 16.7 40.3 91.0 18.3 192 580 A D > - 0 0 96 -5,-0.3 4,-2.2 1,-0.2 3,-0.2 -0.786 42.8-170.4-106.2 100.7 36.7 90.7 19.3 193 581 A K H > S+ 0 0 67 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.894 86.1 51.5 -55.5 -43.6 36.4 90.8 23.0 194 582 A A H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 108.0 53.1 -71.1 -26.0 32.7 89.8 23.1 195 583 A A H > S+ 0 0 33 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.899 110.5 47.0 -71.1 -41.3 33.4 86.7 20.9 196 584 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 113.0 48.8 -60.6 -49.0 36.2 85.6 23.3 197 585 A E H X S+ 0 0 88 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.872 110.1 53.0 -57.7 -37.5 33.8 86.2 26.3 198 586 A A H X S+ 0 0 47 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.903 110.7 45.2 -69.1 -43.8 31.2 84.2 24.4 199 587 A K H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -15,-0.2 0.879 112.2 52.2 -71.0 -34.0 33.5 81.2 23.9 200 588 A M H X S+ 0 0 37 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.891 109.6 50.0 -62.5 -41.4 34.7 81.4 27.5 201 589 A Q H X S+ 0 0 124 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.892 108.2 52.0 -64.2 -45.9 31.1 81.3 28.7 202 590 A E H X S+ 0 0 70 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.917 110.0 50.2 -57.2 -45.0 30.3 78.3 26.5 203 591 A L H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 3,-0.4 0.933 110.3 49.5 -59.1 -43.9 33.3 76.5 28.0 204 592 A A H < S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 110.5 51.5 -64.5 -30.7 32.1 77.3 31.5 205 593 A Q H < S+ 0 0 130 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.769 116.9 37.5 -76.7 -25.6 28.6 76.0 30.7 206 594 A V H < S+ 0 0 42 -4,-1.4 -29,-0.3 -3,-0.4 3,-0.3 0.515 108.0 63.7-101.3 -0.1 29.9 72.7 29.4 207 595 A S X + 0 0 4 -4,-1.2 4,-2.8 1,-0.2 5,-0.2 0.256 62.3 109.1-107.1 10.9 32.7 72.1 31.9 208 596 A Q H > S+ 0 0 158 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.884 84.9 44.8 -66.0 -36.0 30.7 71.8 35.2 209 597 A K H > S+ 0 0 89 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.926 113.5 49.8 -70.1 -43.0 31.4 68.1 35.4 210 598 A L H > S+ 0 0 0 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 109.1 53.7 -56.8 -41.6 35.0 68.5 34.5 211 599 A M H X S+ 0 0 82 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.844 107.8 50.7 -63.0 -35.6 35.3 71.2 37.2 212 600 A E H X S+ 0 0 88 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.910 110.1 48.4 -71.1 -43.1 33.9 68.9 39.7 213 601 A I H X S+ 0 0 8 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.932 112.5 47.8 -56.9 -52.0 36.4 66.1 38.9 214 602 A A H X S+ 0 0 14 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.869 112.2 49.6 -59.9 -42.3 39.5 68.4 39.0 215 603 A Q H >X S+ 0 0 121 -4,-2.0 3,-1.0 -5,-0.2 4,-0.6 0.955 112.9 47.6 -57.0 -52.1 38.3 69.9 42.3 216 604 A Q H >< S+ 0 0 113 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.914 101.4 66.1 -58.6 -44.0 37.9 66.3 43.7 217 605 A Q H 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.739 117.9 23.5 -49.6 -31.9 41.3 65.2 42.4 218 606 A H H << 0 0 138 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.321 360.0 360.0-116.9 7.2 43.1 67.6 44.8 219 607 A A << 0 0 123 -3,-1.5 -3,-0.1 -4,-0.6 -2,-0.1 0.910 360.0 360.0 -66.4 360.0 40.4 68.0 47.5 220 !* 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 0.0 221 1 B N 0 0 88 0, 0.0 -172,-2.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 20.4 59.2 84.3 24.7 222 2 B R - 0 0 91 -174,-0.2 -181,-1.1 -207,-0.0 2,-0.4 -0.346 360.0-136.5 -81.5 166.0 56.6 86.5 26.4 223 3 B L E -I 40 0D 1 -209,-0.3 -207,-3.0 -183,-0.2 2,-0.3 -0.937 13.7-155.9-115.8 145.7 56.4 87.3 30.1 224 4 B I E I 39 0D 34 -185,-2.6 -185,-1.9 -2,-0.4 -207,-0.0 -0.800 360.0 360.0-112.7 161.6 53.4 87.2 32.2 225 5 B L 0 0 137 -2,-0.3 -187,-0.2 -187,-0.2 -210,-0.0 -0.711 360.0 360.0 -81.3 360.0 52.5 88.9 35.5