==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-09 2WNT . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.R.C.MUNIZ,J.M.ELKINS,J.WANG,E.UGOCHUKWU,E.SALAH,O.KING, . 566 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 31 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 1 0 0 0 6 0 0 0 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 0 2 2 4 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 . 2 0 2 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 1 416 A D 0 0 148 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.8 9.2 11.7 51.3 2 417 A G + 0 0 39 21,-0.1 21,-3.1 20,-0.0 22,-0.5 0.264 360.0 65.4-101.2 5.5 12.7 11.9 50.0 3 418 A Y E S-A 22 0A 49 19,-0.3 2,-0.6 20,-0.1 19,-0.2 -0.955 72.9-142.0-127.6 145.4 11.7 15.3 48.5 4 419 A V E -A 21 0A 78 17,-2.8 17,-2.8 -2,-0.3 2,-0.3 -0.948 27.0-132.4-105.9 121.3 10.7 18.6 50.0 5 420 A V E +A 20 0A 80 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.553 28.2 177.9 -78.6 130.2 7.9 20.3 48.0 6 421 A K E - 0 0 97 13,-2.8 14,-0.1 1,-0.3 -1,-0.1 0.120 44.0 -24.1-102.8-140.8 8.3 23.9 47.1 7 422 A E E - 0 0 101 1,-0.1 12,-1.9 11,-0.1 2,-0.4 -0.060 67.1-100.8 -69.7 171.6 6.1 26.3 45.1 8 423 A T E -A 18 0A 69 10,-0.3 10,-0.3 1,-0.1 -1,-0.1 -0.797 27.8-172.7 -95.6 136.4 3.7 25.3 42.4 9 424 A I E - 0 0 90 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.842 60.3 -31.8 -95.9 -43.0 4.8 25.7 38.7 10 425 A G E -A 17 0A 28 7,-2.2 7,-1.7 2,-0.0 -1,-0.3 -0.946 53.4-124.9-164.0-176.8 1.6 25.0 36.8 11 426 A V E -A 16 0A 126 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.760 11.0-169.1-135.1 176.3 -1.7 23.0 36.6 12 427 A G E > -A 15 0A 33 3,-1.8 3,-1.5 -2,-0.2 -2,-0.0 -0.954 42.7-103.2-165.4 156.3 -3.7 20.7 34.4 13 428 A S T 3 S+ 0 0 122 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.430 126.4 23.3 -68.9 5.0 -7.2 19.3 34.4 14 429 A Y T 3 S+ 0 0 65 1,-0.2 21,-0.8 19,-0.0 2,-0.3 0.173 129.2 28.9-149.8 14.9 -5.8 16.0 35.7 15 430 A S E < -AB 12 34A 28 -3,-1.5 -3,-1.8 19,-0.2 2,-0.3 -0.989 53.6-144.3-167.9 162.2 -2.5 17.2 37.4 16 431 A E E -AB 11 33A 76 17,-1.5 17,-2.8 -2,-0.3 2,-0.5 -0.952 19.4-149.0-142.8 126.9 -0.6 19.9 39.2 17 432 A C E +AB 10 32A 37 -7,-1.7 -8,-2.7 -2,-0.3 -7,-2.2 -0.803 21.0 171.8-100.7 127.3 3.1 20.5 38.7 18 433 A K E -AB 8 31A 44 13,-2.7 13,-3.2 -2,-0.5 2,-0.4 -0.950 34.8-110.0-133.1 157.6 5.3 21.9 41.4 19 434 A R E + B 0 30A 48 -12,-1.9 -13,-2.8 -2,-0.3 2,-0.3 -0.702 41.1 176.5 -82.7 129.0 9.0 22.4 42.1 20 435 A C E -AB 5 29A 1 9,-2.4 9,-3.1 -2,-0.4 2,-0.5 -0.873 23.0-131.6-129.6 162.9 10.5 20.1 44.8 21 436 A V E -AB 4 28A 28 -17,-2.8 -17,-2.8 -2,-0.3 2,-0.2 -0.971 20.0-124.3-122.8 124.5 14.0 19.6 46.2 22 437 A H E > -A 3 0A 44 5,-3.0 4,-1.0 -2,-0.5 5,-0.4 -0.467 20.0-154.3 -62.1 124.7 15.6 16.2 46.7 23 438 A K T 4 S+ 0 0 62 -21,-3.1 3,-0.2 -2,-0.2 -1,-0.1 0.975 86.3 49.1 -68.3 -57.0 16.6 15.9 50.3 24 439 A A T 4 S+ 0 0 90 -22,-0.5 -1,-0.1 1,-0.2 -21,-0.1 0.909 130.3 19.5 -49.5 -53.5 19.4 13.4 50.1 25 440 A T T 4 S- 0 0 68 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.438 96.2-132.6-102.0 -2.0 21.3 15.2 47.3 26 441 A N < + 0 0 78 -4,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.897 54.6 145.0 48.8 49.7 19.7 18.7 47.7 27 442 A M - 0 0 34 -5,-0.4 -5,-3.0 0, 0.0 2,-0.3 -0.918 51.1-110.5-118.4 146.3 19.0 19.0 44.0 28 443 A E E +B 21 0A 78 -2,-0.4 46,-0.5 -7,-0.2 -7,-0.2 -0.571 42.5 163.4 -81.9 129.7 16.0 20.7 42.4 29 444 A Y E -B 20 0A 70 -9,-3.1 -9,-2.4 -2,-0.3 2,-0.4 -0.767 33.4-116.3-130.9 178.4 13.4 18.6 40.5 30 445 A A E -BC 19 72A 5 42,-2.6 42,-3.3 -2,-0.2 2,-0.5 -0.975 22.1-160.6-119.9 133.5 9.8 18.9 39.2 31 446 A V E -BC 18 71A 7 -13,-3.2 -13,-2.7 -2,-0.4 2,-0.6 -0.957 5.7-154.2-116.9 128.0 6.9 16.8 40.5 32 447 A K E -BC 17 70A 33 38,-2.8 38,-2.2 -2,-0.5 2,-0.7 -0.892 11.6-153.4 -98.2 118.7 3.7 16.2 38.6 33 448 A V E -BC 16 69A 15 -17,-2.8 -17,-1.5 -2,-0.6 2,-0.5 -0.824 14.3-169.3 -96.2 112.2 0.8 15.4 41.0 34 449 A I E -BC 15 68A 13 34,-2.1 34,-2.1 -2,-0.7 2,-1.0 -0.872 22.8-130.9-110.1 130.5 -1.9 13.3 39.3 35 450 A D E C 0 67A 63 -21,-0.8 32,-0.2 -2,-0.5 31,-0.1 -0.665 360.0 360.0 -77.5 103.4 -5.3 12.6 40.7 36 451 A K 0 0 83 30,-1.6 -1,-0.2 -2,-1.0 31,-0.1 0.908 360.0 360.0 -51.9 360.0 -5.6 8.8 40.2 37 ! 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 38 455 A D 0 0 116 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 76.2 -4.6 6.1 34.9 39 456 A P > + 0 0 18 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.166 360.0 116.6 -77.3 19.3 -1.1 7.5 34.2 40 457 A S H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 75.0 38.1 -56.8 -54.0 -0.3 3.9 33.3 41 458 A E H > S+ 0 0 66 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.747 116.4 54.3 -73.7 -23.7 0.5 4.3 29.6 42 459 A E H > S+ 0 0 17 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.910 109.4 47.3 -72.0 -43.7 2.2 7.7 30.3 43 460 A I H X S+ 0 0 33 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.898 111.6 49.7 -66.3 -42.2 4.5 6.1 32.9 44 461 A E H X S+ 0 0 68 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.928 111.6 48.9 -61.6 -47.0 5.4 3.1 30.6 45 462 A I H X S+ 0 0 2 -4,-1.6 4,-2.9 1,-0.2 5,-0.4 0.890 112.3 48.0 -60.8 -40.7 6.2 5.5 27.7 46 463 A L H X S+ 0 0 7 -4,-2.0 4,-1.2 1,-0.2 12,-0.5 0.854 112.5 48.4 -71.6 -34.9 8.4 7.7 29.9 47 464 A L H < S+ 0 0 117 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.874 118.7 40.7 -69.1 -36.7 10.3 4.8 31.4 48 465 A R H < S+ 0 0 58 -4,-2.1 393,-0.4 -5,-0.2 -2,-0.2 0.901 133.6 16.4 -81.9 -43.7 10.8 3.3 27.9 49 466 A Y H >< S+ 0 0 5 -4,-2.9 3,-2.2 -5,-0.2 -3,-0.2 0.413 93.6 101.6-113.0 -0.6 11.6 6.4 25.8 50 467 A G T 3< + 0 0 4 -4,-1.2 -1,-0.1 -5,-0.4 5,-0.1 0.425 69.1 73.4 -68.9 2.5 12.4 8.9 28.5 51 468 A Q T 3 + 0 0 64 -3,-0.2 -1,-0.3 6,-0.1 389,-0.1 0.551 68.4 110.9 -89.5 -10.2 16.1 8.4 27.8 52 469 A H S X S- 0 0 10 -3,-2.2 3,-2.3 1,-0.1 -3,-0.0 -0.506 78.9-125.6 -66.2 131.3 15.8 10.3 24.6 53 470 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.771 107.0 43.4 -50.3 -34.3 17.7 13.6 25.0 54 471 A N T 3 S+ 0 0 4 47,-0.1 84,-2.3 83,-0.1 2,-0.4 0.156 96.0 85.1-106.1 18.1 14.6 15.7 24.0 55 472 A I B < S-e 138 0B 1 -3,-2.3 84,-0.2 82,-0.2 82,-0.0 -0.964 94.2 -98.7-112.3 135.4 11.9 13.8 25.9 56 473 A I - 0 0 13 82,-2.6 2,-0.5 -2,-0.4 -4,-0.1 -0.230 43.5-121.0 -51.3 140.7 11.4 14.8 29.5 57 474 A T - 0 0 60 -4,-0.1 16,-1.1 -6,-0.1 2,-0.5 -0.762 11.7-138.8 -93.7 127.5 13.3 12.4 31.8 58 475 A L E +D 72 0A 23 -2,-0.5 14,-0.2 -12,-0.5 3,-0.1 -0.712 26.8 170.5 -82.8 125.3 11.4 10.4 34.5 59 476 A K E + 0 0 53 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.619 60.9 0.5-112.8 -19.2 13.5 10.3 37.7 60 477 A D E -D 71 0A 77 11,-1.5 11,-3.3 2,-0.0 2,-0.4 -0.914 54.1-155.2-170.7 143.6 11.2 8.8 40.3 61 478 A V E +D 70 0A 60 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 13.6 178.1-130.1 129.0 7.6 7.4 40.6 62 479 A Y E -D 69 0A 45 7,-2.0 7,-3.2 -2,-0.4 2,-0.1 -0.946 10.5-176.8-127.8 148.3 5.5 7.2 43.7 63 480 A D E +D 68 0A 107 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.570 9.5 170.9-146.8 80.4 1.9 6.0 44.3 64 481 A D - 0 0 104 3,-0.7 2,-0.2 -2,-0.1 4,-0.1 0.535 64.4-100.1 -67.4 -5.0 0.6 6.4 47.9 65 482 A G S S+ 0 0 48 2,-0.7 -1,-0.1 -3,-0.1 3,-0.1 -0.505 111.8 50.0 123.2 -64.2 -2.8 5.4 46.5 66 483 A K S S+ 0 0 69 -2,-0.2 -30,-1.6 1,-0.1 2,-0.3 0.936 117.6 27.0 -75.3 -48.5 -4.8 8.6 46.0 67 484 A H E S-C 35 0A 71 -32,-0.2 -3,-0.7 -31,-0.1 -2,-0.7 -0.847 70.0-139.0-116.4 152.4 -2.2 10.5 44.0 68 485 A V E -CD 34 63A 5 -34,-2.1 -34,-2.1 -2,-0.3 2,-0.6 -0.894 14.7-148.0-105.8 138.9 0.7 9.5 41.8 69 486 A Y E -CD 33 62A 72 -7,-3.2 -7,-2.0 -2,-0.4 2,-0.8 -0.891 11.3-172.7-114.1 108.4 4.0 11.4 42.0 70 487 A L E -CD 32 61A 2 -38,-2.2 -38,-2.8 -2,-0.6 2,-0.6 -0.857 8.0-163.0 -95.6 109.7 6.0 11.8 38.8 71 488 A V E +CD 31 60A 7 -11,-3.3 -12,-3.4 -2,-0.8 -11,-1.5 -0.832 23.6 156.6 -92.7 125.3 9.4 13.3 39.6 72 489 A T E -CD 30 58A 15 -42,-3.3 -42,-2.6 -2,-0.6 -14,-0.2 -0.778 48.3 -64.3-135.6 177.0 11.1 14.6 36.5 73 490 A E - 0 0 39 -16,-1.1 2,-0.5 -2,-0.2 -44,-0.1 -0.414 56.1-113.0 -63.8 143.9 13.8 17.2 35.4 74 491 A L - 0 0 20 -46,-0.5 2,-1.4 -2,-0.1 3,-0.1 -0.715 19.9-138.0 -81.9 123.8 12.8 20.8 36.2 75 492 A M > + 0 0 29 -2,-0.5 3,-1.1 1,-0.2 52,-0.2 -0.652 30.5 170.2 -84.9 88.9 12.2 22.8 33.0 76 493 A R T 3 + 0 0 120 51,-1.9 52,-0.2 -2,-1.4 51,-0.2 0.689 67.7 66.4 -74.4 -20.7 14.0 26.1 34.0 77 494 A G T 3 S- 0 0 8 49,-2.1 -1,-0.2 1,-0.2 50,-0.2 0.455 94.0-144.5 -81.1 -0.7 13.8 27.5 30.5 78 495 A G < - 0 0 28 -3,-1.1 48,-2.5 48,-0.5 -1,-0.2 -0.072 45.1 -17.3 62.9-168.9 10.0 27.8 30.5 79 496 A E B > -F 125 0B 57 46,-0.2 4,-1.3 1,-0.1 46,-0.2 -0.274 59.7-116.5 -76.8 153.3 7.8 27.3 27.4 80 497 A L H >> S+ 0 0 0 44,-2.9 4,-2.2 41,-0.6 3,-0.8 0.912 110.8 48.3 -46.4 -58.9 9.0 27.3 23.8 81 498 A L H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.837 103.4 60.0 -61.5 -38.5 6.9 30.3 22.7 82 499 A D H 3>>S+ 0 0 39 -3,-0.2 5,-0.8 1,-0.2 4,-0.6 0.896 112.9 41.8 -52.1 -41.1 8.0 32.6 25.6 83 500 A K H X<5S+ 0 0 11 -4,-1.3 3,-0.9 -3,-0.8 5,-0.2 0.980 116.7 41.2 -74.1 -58.3 11.5 32.1 24.4 84 501 A I H 3<5S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.625 118.2 46.8 -74.9 -13.2 11.3 32.4 20.6 85 502 A L H 3<5S+ 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.557 130.7 7.1 -99.7 -14.0 8.8 35.3 20.6 86 503 A R T <<5S+ 0 0 75 -3,-0.9 2,-1.1 -4,-0.6 -3,-0.2 0.508 123.7 34.1-123.8 -84.7 10.7 37.4 23.2 87 504 A Q S - 0 0 0 -2,-0.4 4,-1.9 169,-0.3 5,-0.2 -0.660 67.7 -79.3-129.1-175.9 15.1 33.8 12.1 92 509 A E H > S+ 0 0 3 167,-0.4 4,-2.7 1,-0.2 5,-0.2 0.844 127.7 60.3 -58.0 -33.3 14.2 30.9 9.8 93 510 A R H > S+ 0 0 71 164,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.949 107.8 41.3 -60.9 -52.2 17.6 29.4 10.7 94 511 A E H > S+ 0 0 27 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.812 113.7 55.7 -64.7 -31.2 16.8 29.1 14.4 95 512 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.927 103.3 53.4 -66.4 -44.0 13.2 28.0 13.5 96 513 A S H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.853 107.1 53.0 -60.8 -33.6 14.6 25.1 11.3 97 514 A F H X S+ 0 0 84 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.874 108.6 49.9 -67.0 -38.5 16.7 23.9 14.4 98 515 A V H X S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.948 113.3 44.6 -65.7 -48.4 13.5 23.9 16.5 99 516 A L H X S+ 0 0 1 -4,-2.5 4,-4.1 1,-0.2 5,-0.3 0.896 114.2 51.0 -60.6 -41.2 11.6 21.9 14.0 100 517 A H H X S+ 0 0 66 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.937 111.4 46.2 -65.2 -47.7 14.5 19.5 13.5 101 518 A T H X S+ 0 0 10 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.965 122.3 36.7 -59.4 -51.8 15.0 18.9 17.2 102 519 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.898 117.2 50.0 -68.1 -43.4 11.3 18.3 17.7 103 520 A G H X S+ 0 0 1 -4,-4.1 4,-2.3 -5,-0.3 -1,-0.2 0.807 108.7 54.4 -68.1 -26.8 10.6 16.6 14.5 104 521 A K H X S+ 0 0 71 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.888 108.4 48.0 -72.9 -37.9 13.5 14.2 15.1 105 522 A T H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.760 113.5 48.2 -73.1 -28.1 12.1 13.3 18.5 106 523 A V H X S+ 0 0 2 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.865 108.3 53.8 -78.8 -40.6 8.6 12.7 16.9 107 524 A E H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.898 109.7 48.4 -61.9 -40.8 10.1 10.6 14.1 108 525 A Y H X S+ 0 0 2 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.959 112.8 48.0 -60.8 -50.5 11.8 8.4 16.7 109 526 A L H ><>S+ 0 0 3 -4,-1.6 5,-2.4 1,-0.2 3,-1.1 0.942 110.6 50.5 -56.5 -51.6 8.6 8.0 18.7 110 527 A H H ><5S+ 0 0 10 -4,-3.2 3,-2.0 1,-0.3 -1,-0.2 0.900 106.4 55.5 -52.8 -44.3 6.5 7.2 15.6 111 528 A S H 3<5S+ 0 0 11 -4,-2.0 47,-0.3 1,-0.3 -1,-0.3 0.746 106.3 52.3 -64.0 -23.4 9.0 4.5 14.6 112 529 A Q T <<5S- 0 0 14 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.360 124.7-103.6 -91.9 3.9 8.5 2.9 18.0 113 530 A G T < 5S+ 0 0 0 -3,-2.0 34,-3.4 1,-0.2 2,-0.5 0.666 79.4 132.2 82.9 18.9 4.7 2.9 17.6 114 531 A V E < -H 146 0C 0 -5,-2.4 2,-0.4 32,-0.2 -1,-0.2 -0.898 34.8-171.7-108.0 126.1 4.1 5.9 19.9 115 532 A V E -H 145 0C 0 30,-2.3 30,-2.8 -2,-0.5 53,-0.1 -0.954 11.3-159.6-111.6 138.9 1.9 8.8 19.0 116 533 A H - 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0 0 27 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.235 22.5-127.8 -63.9 146.1 11.4 31.7 2.0 221 646 A E H 3> S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.920 108.6 56.3 -56.9 -45.6 9.4 29.8 -0.7 222 647 A T H 3> S+ 0 0 62 1,-0.3 4,-1.6 2,-0.2 27,-0.3 0.761 104.3 52.8 -64.0 -25.0 10.7 26.4 0.6 223 648 A A H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.3 0.871 109.6 49.3 -74.3 -35.8 9.3 27.1 4.1 224 649 A K H X S+ 0 0 48 -4,-1.6 4,-2.3 -3,-0.2 -2,-0.2 0.923 109.5 52.4 -65.7 -43.0 6.0 27.9 2.5 225 650 A D H X S+ 0 0 60 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.887 112.1 45.6 -57.3 -43.7 6.2 24.7 0.6 226 651 A L H >X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 3,-0.6 0.933 111.6 49.9 -70.0 -47.9 6.9 22.7 3.8 227 652 A V H 3X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.2 0.908 108.9 53.2 -56.0 -43.9 4.1 24.4 5.9 228 653 A S H 3< S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.752 110.4 47.1 -68.0 -24.4 1.5 23.8 3.2 229 654 A K H << S+ 0 0 85 -4,-0.9 10,-1.0 -3,-0.6 -1,-0.2 0.710 111.3 50.7 -88.7 -22.4 2.4 20.0 3.1 230 655 A M H < S+ 0 0 0 -4,-1.6 -54,-0.3 -3,-0.2 -2,-0.2 0.781 115.8 42.4 -77.7 -29.8 2.3 19.7 6.9 231 656 A L S < S+ 0 0 2 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.333 79.5 149.0-101.2 4.7 -1.1 21.4 7.1 232 657 A H - 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