==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/PEPTIDE BINDING PROTEIN 03-MAY-12 4EZU . COMPND 2 MOLECULE: CHAPERONE PROTEIN DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZAHN,N.STRAETER . 229 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 73.8 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 . 50 21.8 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 . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 34.1 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 1 1 0 0 0 0 1 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 0 165 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.1 70.0 120.8 48.5 2 390 A L + 0 0 191 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.630 360.0 29.1 -95.6 -18.4 68.8 122.8 45.5 3 391 A L - 0 0 123 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.903 63.8-158.0-138.1 160.6 68.7 119.8 43.1 4 392 A L - 0 0 95 -2,-0.3 2,-0.5 -3,-0.1 25,-0.0 -0.981 25.5-121.0-137.2 146.2 68.2 116.0 43.2 5 393 A D + 0 0 97 25,-0.4 25,-2.6 -2,-0.3 2,-0.3 -0.779 49.9 165.3 -82.5 119.5 69.3 113.2 40.9 6 394 A V B -A 29 0A 58 -2,-0.5 23,-0.3 23,-0.3 20,-0.1 -0.983 43.3 -99.5-138.6 151.6 65.9 111.6 40.0 7 395 A T - 0 0 11 21,-2.5 20,-2.7 -2,-0.3 21,-0.1 -0.539 23.1-157.1 -73.6 141.2 64.7 109.2 37.4 8 396 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.715 74.9 16.7 -88.6 -20.4 63.0 111.1 34.5 9 397 A L S S- 0 0 1 16,-0.1 19,-0.1 19,-0.1 47,-0.1 -0.996 91.8 -78.3-148.2 159.9 61.1 108.0 33.5 10 398 A S - 0 0 9 -2,-0.3 45,-3.3 44,-0.1 2,-0.4 -0.202 37.7-156.2 -53.8 138.9 60.0 104.6 34.6 11 399 A L E +BC 24 54B 13 13,-2.4 13,-3.2 43,-0.2 12,-3.0 -0.975 34.5 107.0-119.2 134.2 62.5 101.7 34.6 12 400 A G E -BC 22 53B 0 41,-2.6 41,-4.0 -2,-0.4 2,-0.3 -0.860 51.9 -76.4-168.5-150.4 61.5 98.0 34.4 13 401 A I E -BC 21 52B 0 8,-2.1 8,-3.1 39,-0.3 2,-0.5 -0.892 37.0-101.4-130.5 154.2 61.3 94.8 32.4 14 402 A E E -B 20 0B 62 37,-1.9 212,-0.4 -2,-0.3 37,-0.4 -0.657 43.8-167.9 -70.4 128.9 59.2 93.2 29.7 15 403 A T E >> -B 19 0B 5 4,-3.1 4,-1.5 -2,-0.5 3,-1.2 -0.693 37.8 -53.1-116.9 171.1 56.7 90.6 31.1 16 404 A M T 34 S+ 0 0 11 210,-2.7 -1,-0.2 1,-0.2 133,-0.1 -0.078 123.3 29.9 -47.0 129.4 54.5 87.9 29.7 17 405 A G T 34 S- 0 0 32 1,-0.1 -1,-0.2 131,-0.1 131,-0.1 0.472 127.6 -76.2 98.5 3.3 52.2 89.3 26.9 18 406 A G T <4 S+ 0 0 24 -3,-1.2 42,-2.9 1,-0.2 43,-0.4 0.789 89.4 143.4 75.6 31.5 54.7 92.0 25.7 19 407 A V E < -BD 15 59B 22 -4,-1.5 -4,-3.1 40,-0.3 2,-0.5 -0.706 52.2-123.8-105.0 150.1 54.0 94.4 28.6 20 408 A M E -B 14 0B 15 38,-2.6 2,-0.5 -2,-0.3 -6,-0.2 -0.798 23.5-165.4 -90.6 127.6 56.3 96.8 30.5 21 409 A T E -B 13 0B 24 -8,-3.1 -8,-2.1 -2,-0.5 2,-0.2 -0.985 20.3-129.4-113.7 122.8 56.2 96.1 34.3 22 410 A T E +B 12 0B 60 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.491 32.4 169.4 -76.4 131.5 57.8 98.9 36.3 23 411 A L E S+ 0 0 9 -12,-3.0 2,-0.5 1,-0.3 -11,-0.2 0.735 77.6 32.1-101.1 -42.5 60.5 98.2 38.9 24 412 A I E S-B 11 0B 4 -13,-3.2 -13,-2.4 -15,-0.0 -1,-0.3 -0.967 88.0-132.6-114.4 119.2 61.6 101.8 39.6 25 413 A A > - 0 0 52 -2,-0.5 3,-0.7 -15,-0.2 -18,-0.2 -0.271 29.7 -90.1 -69.0 160.4 59.0 104.5 39.3 26 414 A K T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -18,-0.1 -16,-0.1 -0.312 111.9 25.8 -63.3 142.6 59.4 107.8 37.4 27 415 A N T 3 S+ 0 0 114 -20,-2.7 2,-0.5 1,-0.2 -1,-0.2 0.752 81.2 151.7 66.7 35.4 60.7 110.6 39.7 28 416 A T < - 0 0 37 -3,-0.7 -21,-2.5 -19,-0.1 -1,-0.2 -0.783 47.0-122.3 -93.5 133.9 62.5 108.3 42.1 29 417 A T B -A 6 0A 66 -2,-0.5 -23,-0.3 -23,-0.3 -1,-0.0 -0.530 42.5 -99.3 -70.7 137.2 65.5 109.9 43.8 30 418 A I S S+ 0 0 18 -25,-2.6 -25,-0.4 -2,-0.2 2,-0.2 -0.855 96.3 60.1-103.4 155.6 68.8 108.0 43.2 31 419 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.398 79.4 147.0 -69.1 156.2 70.6 106.1 44.6 32 420 A T E -F 90 0C 37 58,-1.9 58,-3.3 -2,-0.2 2,-0.3 -0.989 30.7-162.9-154.9 158.7 67.8 103.5 44.8 33 421 A K E +F 89 0C 130 -2,-0.3 2,-0.3 56,-0.3 56,-0.2 -0.994 9.9 177.4-147.1 131.5 67.4 99.8 44.7 34 422 A H E -F 88 0C 76 54,-2.8 54,-2.8 -2,-0.3 2,-0.3 -0.986 6.4-168.5-140.3 131.6 64.2 97.7 44.2 35 423 A S E +F 87 0C 44 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.893 5.7 177.9-113.0 144.3 63.6 93.9 43.9 36 424 A Q E -F 86 0C 67 50,-2.4 50,-2.6 -2,-0.3 2,-0.5 -0.982 27.0-127.7-140.2 142.0 60.5 92.0 42.8 37 425 A V E +F 85 0C 49 -2,-0.3 192,-0.5 48,-0.2 48,-0.2 -0.774 34.6 170.7 -91.4 128.2 60.2 88.2 42.5 38 426 A F E -F 84 0C 0 46,-3.3 46,-2.7 -2,-0.5 2,-0.2 -0.550 10.3-160.1-118.9-170.0 58.9 87.0 39.1 39 427 A S E -I 227 0D 1 188,-2.6 188,-3.6 -2,-0.2 190,-0.1 -0.850 29.4 -58.4-158.2-171.0 58.6 83.5 37.6 40 428 A T E -I 226 0D 2 -2,-0.2 40,-0.7 186,-0.2 186,-0.1 -0.420 29.6-145.3 -82.5 154.9 58.3 81.3 34.5 41 429 A A S S+ 0 0 3 184,-0.7 2,-0.3 1,-0.2 38,-0.1 0.685 81.7 35.5 -93.7 -19.6 55.4 81.7 32.0 42 430 A E S > S- 0 0 38 183,-0.2 3,-2.0 181,-0.1 -1,-0.2 -0.982 94.3 -89.2-138.3 143.7 55.2 77.9 31.2 43 431 A D T 3 S+ 0 0 49 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.149 111.7 8.3 -42.5 133.2 55.6 74.6 32.9 44 432 A N T 3 S+ 0 0 39 33,-3.1 -1,-0.2 1,-0.2 2,-0.1 0.560 83.2 165.5 68.6 7.6 59.3 73.3 32.8 45 433 A Q < - 0 0 1 -3,-2.0 -1,-0.2 32,-0.3 -5,-0.1 -0.356 20.7-165.5 -56.1 128.9 60.6 76.6 31.3 46 434 A S + 0 0 25 175,-0.4 28,-2.8 177,-0.2 2,-0.3 0.581 62.2 28.5 -99.7 -9.4 64.4 76.5 31.6 47 435 A A - 0 0 4 176,-0.4 2,-0.4 25,-0.2 25,-0.2 -0.991 56.0-154.7-152.2 152.2 65.3 80.2 30.9 48 436 A V E - E 0 71B 0 23,-1.9 23,-2.2 -2,-0.3 2,-0.6 -0.950 17.0-137.7-125.0 138.6 63.9 83.8 31.2 49 437 A T E - E 0 70B 29 175,-2.4 2,-0.8 -2,-0.4 21,-0.2 -0.924 14.0-153.8 -92.2 123.9 64.9 86.8 29.1 50 438 A I E - E 0 69B 0 19,-3.6 19,-1.8 -2,-0.6 2,-0.6 -0.903 14.8-173.5 -96.0 115.2 65.3 89.8 31.3 51 439 A H E - E 0 68B 27 -2,-0.8 -37,-1.9 -37,-0.4 2,-0.3 -0.930 13.8-145.4-120.9 111.8 64.6 92.7 28.9 52 440 A V E -CE 13 67B 0 15,-1.8 14,-2.8 -2,-0.6 15,-1.0 -0.567 20.4-171.3 -88.1 128.3 65.2 96.1 30.6 53 441 A L E -CE 12 65B 0 -41,-4.0 -41,-2.6 -2,-0.3 2,-0.5 -0.923 16.4-157.9-122.5 148.6 62.9 98.9 29.5 54 442 A Q E +CE 11 64B 17 10,-3.4 10,-3.3 -2,-0.4 2,-0.3 -0.984 49.0 54.0-120.9 130.5 62.8 102.6 30.0 55 443 A G S S- 0 0 1 -45,-3.3 8,-0.1 -2,-0.5 -45,-0.1 -0.922 74.8 -89.8 144.7-176.7 59.5 104.6 29.6 56 444 A E S S+ 0 0 53 -2,-0.3 2,-0.2 6,-0.2 -1,-0.1 0.247 78.8 103.5-115.7 1.9 55.9 105.2 30.4 57 445 A R - 0 0 27 2,-0.1 -37,-0.1 1,-0.1 6,-0.1 -0.634 63.1-139.6 -89.1 152.7 54.0 103.1 27.8 58 446 A K S S+ 0 0 79 -2,-0.2 -38,-2.6 -39,-0.1 2,-0.5 0.842 84.4 80.5 -78.1 -39.7 52.4 99.8 28.6 59 447 A R B >> S-D 19 0B 95 -40,-0.2 3,-2.3 1,-0.2 4,-0.5 -0.600 77.8-142.4 -69.1 124.8 53.4 98.0 25.4 60 448 A A G >4 S+ 0 0 4 -42,-2.9 3,-1.7 -2,-0.5 -1,-0.2 0.898 100.0 57.2 -52.3 -47.3 57.1 96.8 25.8 61 449 A A G 34 S+ 0 0 90 -43,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.593 99.7 59.7 -59.7 -14.0 57.8 97.7 22.1 62 450 A D G <4 S+ 0 0 61 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.555 97.5 72.7 -93.0 -13.7 56.7 101.3 22.7 63 451 A N S << S- 0 0 16 -3,-1.7 2,-0.5 -4,-0.5 -8,-0.2 -0.415 96.5 -87.3 -91.3 177.3 59.4 101.9 25.4 64 452 A K E -E 54 0B 87 -10,-3.3 -10,-3.4 -2,-0.1 2,-0.6 -0.760 36.3-136.6 -94.5 122.2 63.2 102.3 25.1 65 453 A S E -E 53 0B 60 -2,-0.5 -12,-0.2 -12,-0.2 53,-0.2 -0.694 21.5-178.2 -75.9 118.3 65.1 99.0 25.2 66 454 A L E - 0 0 31 -14,-2.8 2,-0.3 -2,-0.6 -13,-0.2 0.660 57.9 -68.5 -91.5 -21.8 68.2 99.4 27.5 67 455 A G E -E 52 0B 21 -15,-1.0 -15,-1.8 46,-0.1 -1,-0.4 -0.924 47.6-135.4 154.8-176.2 69.6 95.9 27.0 68 456 A Q E -E 51 0B 112 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.974 13.5-176.1-163.4 158.4 68.6 92.3 27.9 69 457 A F E -E 50 0B 23 -19,-1.8 -19,-3.6 -2,-0.3 2,-0.3 -0.970 22.0-117.3-155.3 166.9 70.1 89.1 29.2 70 458 A N E -E 49 0B 61 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.784 8.1-159.3-107.6 149.7 69.1 85.5 29.9 71 459 A L E +E 48 0B 4 -23,-2.2 -23,-1.9 -2,-0.3 3,-0.2 -0.977 28.5 172.9-118.5 114.5 69.0 83.5 33.1 72 460 A D + 0 0 89 -2,-0.5 -25,-0.2 -25,-0.2 3,-0.1 -0.414 43.8 69.4-110.5-168.6 69.1 79.8 32.4 73 461 A G + 0 0 25 -27,-0.3 2,-0.4 1,-0.3 -26,-0.2 0.694 58.2 161.7 70.8 18.0 69.4 76.5 34.3 74 462 A I - 0 0 6 -28,-2.8 -1,-0.3 -3,-0.2 3,-0.1 -0.626 39.5-124.5 -69.4 128.0 65.9 77.0 35.7 75 463 A N - 0 0 92 -2,-0.4 -31,-0.2 1,-0.1 -30,-0.1 -0.435 32.8 -83.9 -76.7 145.5 64.9 73.5 36.9 76 464 A P + 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.188 69.6 136.1 -50.7 133.0 61.7 71.9 35.7 77 465 A A - 0 0 24 -3,-0.1 -33,-3.1 -32,-0.0 -32,-0.3 -0.962 58.9 -70.6-163.7 162.5 58.7 73.0 37.8 78 466 A P > - 0 0 62 0, 0.0 3,-2.1 0, 0.0 -38,-0.2 -0.342 68.8 -82.1 -56.7 144.5 55.1 74.1 37.3 79 467 A R T 3 S+ 0 0 61 1,-0.3 -36,-0.1 2,-0.1 -38,-0.1 -0.145 116.0 17.6 -39.0 135.6 54.6 77.5 35.7 80 468 A G T 3 S+ 0 0 0 -40,-0.7 150,-2.6 -38,-0.1 -1,-0.3 0.345 99.9 97.6 76.9 -6.2 54.9 80.3 38.2 81 469 A M < + 0 0 87 -3,-2.1 -2,-0.1 148,-0.2 -1,-0.1 0.879 54.8 86.9 -82.3 -40.1 56.6 78.3 40.9 82 470 A P S S- 0 0 3 0, 0.0 2,-0.8 0, 0.0 -42,-0.2 -0.293 77.7-129.1 -60.6 144.9 60.4 79.1 40.4 83 471 A Q - 0 0 81 -44,-0.1 20,-2.4 146,-0.1 2,-0.7 -0.894 29.1-179.8 -99.4 102.6 61.4 82.2 42.4 84 472 A I E -FG 38 102C 2 -46,-2.7 -46,-3.3 -2,-0.8 2,-0.7 -0.895 12.5-156.9-105.7 102.6 63.2 84.5 40.1 85 473 A E E -FG 37 101C 38 16,-2.7 16,-2.3 -2,-0.7 2,-0.5 -0.699 6.0-166.3 -86.6 118.0 64.3 87.7 41.9 86 474 A V E -FG 36 100C 0 -50,-2.6 -50,-2.4 -2,-0.7 2,-0.4 -0.863 6.7-171.4-103.8 127.9 64.9 90.7 39.6 87 475 A T E -FG 35 99C 10 12,-2.5 12,-2.0 -2,-0.5 2,-0.5 -0.986 12.6-165.1-123.6 127.2 66.7 93.6 41.2 88 476 A F E -FG 34 98C 0 -54,-2.8 -54,-2.8 -2,-0.4 2,-0.4 -0.962 15.0-180.0-102.8 124.4 67.2 97.2 39.7 89 477 A D E -FG 33 97C 45 8,-2.0 8,-2.9 -2,-0.5 2,-0.6 -0.974 10.0-168.8-129.1 113.6 69.9 99.1 41.7 90 478 A I E -FG 32 96C 8 -58,-3.3 -58,-1.9 -2,-0.4 6,-0.2 -0.924 17.1-150.9 -99.2 120.3 70.8 102.6 40.6 91 479 A D > - 0 0 42 4,-2.5 3,-2.4 -2,-0.6 -59,-0.0 -0.275 34.2 -85.9 -87.0-177.0 74.0 103.8 42.3 92 480 A A T 3 S+ 0 0 67 1,-0.3 -62,-0.1 2,-0.1 -1,-0.1 0.711 127.5 53.7 -63.0 -24.8 75.0 107.3 43.3 93 481 A D T 3 S- 0 0 134 2,-0.1 -1,-0.3 0, 0.0 22,-0.1 0.427 118.5-108.5 -88.5 -0.1 76.5 107.9 39.9 94 482 A G < + 0 0 22 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.585 69.7 143.4 87.4 7.9 73.3 106.9 38.0 95 483 A I - 0 0 54 19,-0.1 -4,-2.5 20,-0.1 2,-0.6 -0.661 43.1-140.1 -80.9 132.5 74.6 103.6 36.7 96 484 A L E -GH 90 113C 8 17,-2.8 17,-2.8 -2,-0.4 2,-0.6 -0.868 14.8-168.1 -98.3 125.8 71.9 100.9 36.7 97 485 A H E -GH 89 112C 67 -8,-2.9 -8,-2.0 -2,-0.6 2,-0.5 -0.938 7.2-172.2-114.5 114.1 72.8 97.3 37.7 98 486 A V E +GH 88 111C 0 13,-2.2 13,-2.1 -2,-0.6 2,-0.3 -0.953 9.2 172.5-105.9 130.3 70.0 94.8 36.8 99 487 A S E -GH 87 110C 17 -12,-2.0 -12,-2.5 -2,-0.5 2,-0.4 -0.946 19.6-156.6-133.1 159.0 70.4 91.3 38.1 100 488 A A E -GH 86 109C 0 9,-2.3 9,-1.8 -2,-0.3 2,-0.5 -0.999 11.1-167.4-134.8 128.2 68.1 88.2 38.2 101 489 A K E -GH 85 108C 70 -16,-2.3 -16,-2.7 -2,-0.4 2,-1.1 -0.971 15.7-147.2-123.1 126.4 68.6 85.4 40.7 102 490 A D E > -G 84 0C 0 5,-3.1 4,-3.1 -2,-0.5 3,-0.5 -0.804 10.4-166.7 -92.6 101.9 66.9 82.0 40.5 103 491 A K T 4 S+ 0 0 91 -20,-2.4 -1,-0.2 -2,-1.1 -19,-0.1 0.687 85.9 55.3 -57.6 -21.7 66.4 81.2 44.2 104 492 A N T 4 S+ 0 0 86 -21,-0.5 -1,-0.2 1,-0.1 -20,-0.1 0.859 122.0 23.6 -85.1 -35.3 65.7 77.5 43.2 105 493 A S T 4 S- 0 0 34 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.606 96.3-128.7 -97.4 -22.1 68.9 76.9 41.2 106 494 A G < + 0 0 57 -4,-3.1 -3,-0.1 1,-0.3 -2,-0.0 0.190 60.8 140.5 92.8 -19.0 71.2 79.5 42.8 107 495 A K - 0 0 115 -5,-0.2 -5,-3.1 -34,-0.1 2,-0.3 -0.246 28.8-173.8 -67.5 144.2 72.1 80.9 39.4 108 496 A E E +H 101 0C 89 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.982 10.4 178.9-138.5 148.7 72.5 84.6 38.9 109 497 A Q E -H 100 0C 91 -9,-1.8 -9,-2.3 -2,-0.3 2,-0.3 -0.979 6.6-179.3-145.7 151.7 73.1 86.9 35.9 110 498 A K E -H 99 0C 99 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.914 14.4-156.0-145.1 167.0 73.3 90.7 35.6 111 499 A I E -H 98 0C 37 -13,-2.1 -13,-2.2 -2,-0.3 2,-0.5 -0.954 16.6-138.7-140.7 152.8 73.9 93.5 33.0 112 500 A T E -H 97 0C 88 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.976 13.1-162.0-120.6 131.9 75.2 97.0 33.7 113 501 A I E -H 96 0C 8 -17,-2.8 -17,-2.8 -2,-0.5 -46,-0.1 -0.964 20.4-123.4-120.9 120.9 73.7 99.9 32.0 114 502 A K > - 0 0 136 -2,-0.5 3,-1.8 -19,-0.2 -19,-0.1 -0.242 21.8-117.6 -60.4 152.9 75.6 103.3 31.8 115 503 A A T 3 S+ 0 0 60 1,-0.3 -1,-0.1 -22,-0.1 -20,-0.1 0.759 114.5 58.0 -64.3 -27.0 74.0 106.4 33.3 116 504 A S T 3 S+ 0 0 98 4,-0.0 -1,-0.3 2,-0.0 -21,-0.1 0.521 85.0 105.9 -82.6 -3.2 74.0 107.9 29.8 117 505 A S < + 0 0 37 -3,-1.8 2,-0.1 -51,-0.0 -51,-0.1 -0.199 62.9 29.5 -68.3 164.9 71.9 105.1 28.2 118 506 A G S S- 0 0 21 -53,-0.2 2,-0.1 -52,-0.1 -53,-0.1 -0.437 101.6 -2.0 88.3-159.9 68.3 105.5 27.2 119 507 A L - 0 0 28 -2,-0.1 2,-0.0 1,-0.1 -64,-0.0 -0.400 60.5-133.2 -77.9 144.0 66.3 108.5 26.1 120 508 A N > - 0 0 88 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.256 40.5 -87.1 -86.3 177.6 67.7 112.0 25.9 121 509 A E H > S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.895 127.8 44.8 -55.4 -46.8 65.9 115.1 27.3 122 510 A D H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 114.9 47.6 -57.8 -46.9 63.8 115.7 24.1 123 511 A E H > S+ 0 0 90 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.811 108.7 55.9 -66.9 -32.0 62.9 112.0 23.7 124 512 A I H X S+ 0 0 29 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.943 109.4 46.0 -64.8 -44.3 62.0 111.9 27.4 125 513 A Q H X S+ 0 0 104 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.925 112.8 50.0 -64.6 -46.2 59.5 114.8 26.8 126 514 A K H X S+ 0 0 102 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.960 109.6 51.2 -54.7 -52.3 58.2 113.1 23.8 127 515 A M H X S+ 0 0 15 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.935 110.8 49.0 -45.7 -51.2 57.7 109.8 25.8 128 516 A V H X S+ 0 0 40 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.929 113.8 45.5 -60.1 -45.7 55.8 111.7 28.5 129 517 A R H X S+ 0 0 134 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.901 112.2 52.8 -62.6 -44.7 53.5 113.4 25.9 130 518 A D H X S+ 0 0 43 -4,-3.3 4,-1.7 -5,-0.2 -2,-0.2 0.900 107.5 49.4 -57.4 -46.8 53.0 110.1 24.1 131 519 A A H < S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.868 113.4 49.0 -60.6 -38.4 52.0 108.3 27.3 132 520 A E H >< S+ 0 0 137 -4,-1.8 3,-1.3 -5,-0.2 4,-0.2 0.956 112.3 46.1 -64.6 -52.5 49.5 111.2 27.9 133 521 A A H 3< S+ 0 0 84 -4,-3.2 3,-0.2 1,-0.3 -1,-0.2 0.766 120.9 38.8 -61.9 -27.4 48.1 111.1 24.4 134 522 A N T 3X S+ 0 0 55 -4,-1.7 4,-3.0 -5,-0.2 -1,-0.3 0.030 73.8 120.8-113.6 26.5 47.7 107.3 24.4 135 523 A A H <> S+ 0 0 60 -3,-1.3 4,-1.5 1,-0.2 -1,-0.1 0.904 82.1 43.6 -65.2 -38.8 46.5 106.7 28.0 136 524 A E H > S+ 0 0 101 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.945 113.7 48.1 -65.8 -55.8 43.3 105.1 26.7 137 525 A A H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.909 113.8 49.7 -50.3 -45.4 44.9 102.9 24.0 138 526 A D H X S+ 0 0 9 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.852 108.5 51.6 -64.6 -36.8 47.4 101.8 26.6 139 527 A R H X S+ 0 0 83 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.6 47.8 -63.8 -44.9 44.7 101.0 29.1 140 528 A K H X S+ 0 0 125 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 111.9 49.2 -65.1 -41.8 43.0 98.9 26.4 141 529 A F H X S+ 0 0 16 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.924 110.4 52.2 -58.1 -44.0 46.2 97.1 25.5 142 530 A E H X S+ 0 0 64 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 111.2 44.8 -59.8 -47.8 46.9 96.4 29.2 143 531 A E H X S+ 0 0 67 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.807 111.8 53.1 -67.7 -35.7 43.4 94.8 29.7 144 532 A L H X S+ 0 0 16 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.914 109.8 49.0 -62.7 -41.1 43.7 92.8 26.5 145 533 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.901 109.5 50.2 -68.2 -41.9 47.1 91.4 27.7 146 534 A Q H X S+ 0 0 98 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.865 114.9 45.5 -62.0 -33.9 45.8 90.4 31.1 147 535 A T H X S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.883 112.7 49.3 -76.8 -38.3 42.9 88.6 29.3 148 536 A R H X S+ 0 0 47 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.897 113.5 48.2 -65.5 -37.2 45.2 87.0 26.8 149 537 A N H X S+ 0 0 28 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.929 110.8 50.3 -67.8 -44.8 47.5 85.9 29.8 150 538 A Q H X S+ 0 0 117 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 112.4 47.2 -61.0 -41.2 44.5 84.5 31.8 151 539 A G H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.886 110.0 52.5 -67.4 -39.2 43.3 82.5 28.7 152 540 A D H X S+ 0 0 35 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.894 111.7 45.6 -67.4 -38.9 46.8 81.2 28.1 153 541 A H H X S+ 0 0 39 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.927 115.1 47.7 -67.5 -45.8 47.1 79.9 31.7 154 542 A L H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.922 112.5 50.1 -58.7 -43.0 43.5 78.5 31.5 155 543 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.965 115.6 41.7 -56.8 -52.6 44.4 76.8 28.1 156 544 A H H X S+ 0 0 60 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.895 115.1 49.7 -67.8 -39.7 47.6 75.3 29.5 157 545 A S H X S+ 0 0 50 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.884 111.4 48.5 -66.2 -39.2 46.1 74.2 32.8 158 546 A T H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.886 107.3 55.5 -71.8 -36.3 43.2 72.5 31.2 159 547 A R H X S+ 0 0 92 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.936 109.5 47.7 -60.4 -41.8 45.4 70.7 28.7 160 548 A K H X S+ 0 0 106 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.898 111.1 50.2 -61.4 -45.6 47.3 69.2 31.6 161 549 A Q H X S+ 0 0 41 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.912 108.7 52.6 -61.9 -44.7 44.2 68.2 33.5 162 550 A V H X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.946 111.3 45.9 -52.9 -53.3 42.8 66.5 30.4 163 551 A E H < S+ 0 0 171 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 112.7 50.8 -61.4 -43.0 45.9 64.4 30.0 164 552 A E H < S+ 0 0 154 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.4 50.8 -61.4 -31.4 46.0 63.6 33.7 165 553 A A H >< S+ 0 0 5 -4,-2.0 3,-2.2 -3,-0.3 -1,-0.2 0.851 81.4 158.5 -75.5 -35.7 42.3 62.4 33.6 166 554 A G G >< S- 0 0 38 -4,-1.9 3,-2.0 1,-0.3 -1,-0.1 -0.170 71.8 -0.2 43.5-131.0 43.0 60.2 30.6 167 555 A D G 3 S+ 0 0 173 1,-0.3 -1,-0.3 -4,-0.1 4,-0.1 0.678 120.2 77.1 -61.5 -21.2 40.4 57.5 30.4 168 556 A K G < S+ 0 0 128 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.677 80.8 82.1 -60.8 -17.5 38.5 58.7 33.5 169 557 A L S < S- 0 0 9 -3,-2.0 5,-0.1 -7,-0.2 -1,-0.0 -0.827 89.2-119.8 -96.6 116.1 37.0 61.6 31.3 170 558 A P > - 0 0 54 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.135 20.8-116.3 -53.4 148.0 34.0 60.5 29.3 171 559 A A H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.925 114.2 48.1 -51.1 -59.3 34.3 60.8 25.5 172 560 A D H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 112.6 49.9 -44.2 -51.2 31.5 63.4 25.1 173 561 A D H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.958 112.3 46.9 -58.1 -52.4 33.0 65.5 28.0 174 562 A K H X S+ 0 0 82 -4,-2.9 4,-3.5 1,-0.2 5,-0.2 0.851 109.9 54.5 -57.1 -41.7 36.5 65.4 26.4 175 563 A T H X S+ 0 0 89 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.886 111.2 43.4 -58.8 -45.5 35.0 66.3 23.0 176 564 A A H X S+ 0 0 35 -4,-2.1 4,-2.0 -3,-0.2 -2,-0.2 0.920 116.8 48.2 -70.8 -41.6 33.3 69.4 24.3 177 565 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 29,-0.2 -2,-0.2 0.961 112.1 47.1 -66.6 -53.1 36.4 70.4 26.3 178 566 A E H X S+ 0 0 93 -4,-3.5 4,-2.1 1,-0.2 3,-0.3 0.916 110.4 54.9 -52.3 -45.2 38.8 69.8 23.5 179 567 A S H X S+ 0 0 77 -4,-2.1 4,-1.8 1,-0.3 -1,-0.2 0.902 109.8 45.5 -54.8 -48.1 36.6 71.8 21.1 180 568 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.750 108.2 56.6 -66.1 -32.6 36.6 74.7 23.4 181 569 A L H X S+ 0 0 7 -4,-1.8 4,-3.0 -3,-0.3 5,-0.2 0.926 109.1 47.4 -68.3 -42.3 40.4 74.6 24.0 182 570 A T H X S+ 0 0 84 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.899 111.3 50.9 -63.5 -44.4 41.0 74.9 20.2 183 571 A A H X S+ 0 0 25 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.922 112.6 46.8 -58.4 -49.8 38.5 77.7 20.1 184 572 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 15,-0.2 -2,-0.2 0.931 108.5 53.6 -54.2 -49.7 40.3 79.6 22.9 185 573 A E H X S+ 0 0 64 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.900 110.7 48.0 -60.4 -34.9 43.8 79.1 21.5 186 574 A T H >X S+ 0 0 86 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.943 110.2 51.1 -67.0 -45.7 42.5 80.6 18.2 187 575 A A H >< S+ 0 0 14 -4,-2.2 3,-1.2 1,-0.3 5,-0.3 0.861 105.8 57.4 -58.1 -33.6 41.0 83.5 20.1 188 576 A L H 3< S+ 0 0 18 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.750 100.1 56.8 -71.5 -26.1 44.3 84.0 21.9 189 577 A K H << S+ 0 0 172 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.587 105.1 72.5 -76.0 -13.0 46.1 84.4 18.5 190 578 A G S << S- 0 0 28 -3,-1.2 -3,-0.0 -4,-0.5 0, 0.0 -0.169 83.7-121.6 -97.7-169.1 43.7 87.3 17.8 191 579 A E S S+ 0 0 139 -2,-0.1 2,-0.6 -43,-0.0 -3,-0.1 0.269 72.2 107.4-116.1 2.7 43.2 90.9 19.1 192 580 A D > - 0 0 92 -5,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.819 45.7-167.3-102.5 110.5 39.6 90.7 20.4 193 581 A K H > S+ 0 0 69 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.930 90.2 49.8 -58.2 -50.7 39.1 90.8 24.2 194 582 A A H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.837 108.1 53.7 -62.6 -36.0 35.5 89.8 24.2 195 583 A A H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 109.6 48.0 -67.3 -41.5 36.2 86.8 21.9 196 584 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 -9,-0.2 -2,-0.2 0.926 112.9 48.7 -61.3 -44.0 38.8 85.5 24.3 197 585 A E H X S+ 0 0 81 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.899 109.6 51.5 -66.9 -35.9 36.4 86.0 27.2 198 586 A A H X S+ 0 0 46 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.888 110.6 48.9 -69.7 -35.5 33.6 84.2 25.3 199 587 A K H X S+ 0 0 69 -4,-2.0 4,-2.4 1,-0.2 -15,-0.2 0.912 110.0 51.7 -73.4 -35.4 35.9 81.2 24.6 200 588 A M H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.913 111.8 46.7 -58.7 -40.0 36.9 81.1 28.2 201 589 A Q H X S+ 0 0 117 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.917 107.7 55.5 -74.6 -41.6 33.3 81.0 29.2 202 590 A E H X S+ 0 0 65 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.881 109.9 48.2 -51.6 -45.0 32.5 78.3 26.6 203 591 A L H >X S+ 0 0 2 -4,-2.4 4,-1.7 -23,-0.2 3,-1.3 0.940 108.3 52.2 -62.9 -46.0 35.2 76.3 28.3 204 592 A A H 3< S+ 0 0 61 -4,-2.3 4,-0.2 1,-0.3 -2,-0.2 0.855 107.0 57.7 -60.5 -30.0 33.9 76.9 31.9 205 593 A Q H 3< S+ 0 0 112 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.698 117.4 28.1 -74.8 -21.4 30.5 75.7 30.5 206 594 A V H << S+ 0 0 41 -3,-1.3 3,-0.4 -4,-0.6 4,-0.2 0.490 103.4 76.8-117.7 -4.0 31.7 72.3 29.4 207 595 A S X + 0 0 6 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.386 58.3 111.7 -86.9 1.6 34.7 71.6 31.8 208 596 A Q H > S+ 0 0 112 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.813 80.9 41.8 -47.9 -43.7 32.5 70.6 34.9 209 597 A K H > S+ 0 0 69 -3,-0.4 4,-3.2 2,-0.2 5,-0.3 0.908 110.7 55.9 -72.6 -46.6 33.4 67.0 35.0 210 598 A L H > S+ 0 0 0 -4,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.919 109.8 47.6 -50.9 -48.2 37.1 67.6 34.3 211 599 A M H X S+ 0 0 75 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.976 111.2 50.0 -55.6 -61.2 37.3 69.9 37.3 212 600 A E H X S+ 0 0 105 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.907 115.6 43.2 -37.9 -62.3 35.5 67.3 39.5 213 601 A I H >< S+ 0 0 16 -4,-3.2 3,-0.8 1,-0.2 -1,-0.2 0.936 110.8 54.7 -51.1 -53.0 37.9 64.6 38.4 214 602 A A H 3< S+ 0 0 31 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.823 110.3 49.3 -55.6 -31.3 40.9 66.9 38.7 215 603 A Q H 3< 0 0 149 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.766 360.0 360.0 -83.0 -25.0 39.8 67.6 42.3 216 604 A Q << 0 0 147 -4,-1.4 -3,-0.0 -3,-0.8 -4,-0.0 0.006 360.0 360.0 -44.4 360.0 39.3 63.9 43.4 217 !* 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 0.0 218 4 B P 0 0 117 0, 0.0 2,-0.5 0, 0.0 -174,-0.0 0.000 360.0 360.0 360.0 144.6 60.1 66.8 31.0 219 5 B P - 0 0 117 0, 0.0 -174,-0.0 0, 0.0 0, 0.0 -0.672 360.0-132.1 -76.4 124.6 60.0 68.5 27.6 220 6 B R - 0 0 170 -2,-0.5 -175,-0.2 1,-0.1 -176,-0.1 -0.595 22.3-124.2 -79.2 133.8 61.2 72.1 28.1 221 7 B P - 0 0 25 0, 0.0 2,-1.4 0, 0.0 -175,-0.4 -0.353 16.1-115.7 -78.0 159.4 58.9 74.7 26.3 222 8 B P S S+ 0 0 110 0, 0.0 2,-0.4 0, 0.0 -177,-0.0 -0.573 75.0 125.6 -85.6 71.6 60.1 77.3 23.8 223 9 B Q + 0 0 42 -2,-1.4 -176,-0.4 1,-0.1 -177,-0.2 -0.999 31.9 166.8-139.3 131.2 59.1 80.1 26.1 224 10 B W + 0 0 130 -2,-0.4 -175,-2.4 -176,-0.1 -1,-0.1 0.400 37.3 127.8-122.3 -5.1 61.3 83.0 27.5 225 11 B A - 0 0 23 -177,-0.2 -184,-0.7 1,-0.1 2,-0.6 -0.145 60.2-125.7 -61.9 138.7 58.6 85.3 28.9 226 12 B V E -I 40 0D 4 -212,-0.4 -210,-2.7 -177,-0.2 -186,-0.2 -0.814 37.9-172.1 -82.6 124.2 59.0 86.5 32.5 227 13 B G E -I 39 0D 0 -188,-3.6 -188,-2.6 -2,-0.6 2,-0.3 -0.462 26.6 -80.6-109.0-174.9 55.8 85.5 34.3 228 14 B H - 0 0 101 -190,-0.2 2,-0.5 -2,-0.1 -190,-0.2 -0.614 41.6-113.0 -94.0 148.2 54.3 86.2 37.7 229 15 B F 0 0 87 -192,-0.5 -148,-0.2 -2,-0.3 -190,-0.1 -0.638 360.0 360.0 -80.7 123.9 55.2 84.3 40.8 230 16 B M 0 0 138 -150,-2.6 -1,-0.1 -2,-0.5 -149,-0.1 0.924 360.0 360.0 -59.3 360.0 52.4 82.2 42.2