==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-11 2YI1 . COMPND 2 MOLECULE: BIFUNCTIONAL UDP-N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MARTINEZ,L.D.NGUYEN,E.TAUBERGER,S.HINDERLICH,W.REUTTER,H.F . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 0 0 1 1 0 1 0 2 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 0 1 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 2 1 0 0 1 2 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 1 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 1 405 A G 0 0 75 0, 0.0 61,-0.5 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0-171.1 26.8 -24.6 0.0 2 406 A T - 0 0 73 59,-0.2 60,-2.6 1,-0.1 2,-0.2 0.485 360.0-129.7 -32.6 117.2 27.1 -20.9 1.1 3 407 A L E +a 62 0A 66 58,-0.2 19,-1.9 60,-0.1 2,-0.3 -0.468 44.5 163.0 -64.7 127.9 24.6 -18.6 -0.5 4 408 A S E -aB 63 21A 0 58,-2.2 60,-2.4 17,-0.2 2,-0.3 -0.873 33.0-134.7-145.6 163.5 26.6 -15.6 -1.9 5 409 A A E - B 0 20A 0 15,-2.8 15,-2.5 -2,-0.3 2,-0.5 -0.953 19.9-128.7-120.4 147.6 26.6 -12.6 -4.3 6 410 A L E -aB 66 19A 0 59,-2.9 61,-2.6 -2,-0.3 2,-0.4 -0.838 33.6-166.5 -83.7 130.2 29.2 -11.4 -6.6 7 411 A A E -aB 67 18A 0 11,-2.9 11,-3.0 -2,-0.5 2,-0.4 -0.979 9.5-170.5-124.7 139.4 29.8 -7.7 -5.9 8 412 A V E -aB 68 17A 0 59,-2.1 61,-3.5 -2,-0.4 2,-0.4 -0.987 1.3-170.5-125.9 134.3 31.6 -5.1 -8.0 9 413 A D E -aB 69 16A 14 7,-2.7 7,-2.5 -2,-0.4 2,-0.6 -0.985 1.0-171.6-132.1 126.5 32.5 -1.6 -7.0 10 414 A L E +aB 70 15A 0 59,-2.2 61,-1.7 -2,-0.4 5,-0.2 -0.946 19.5 165.0-121.7 100.1 33.9 0.9 -9.5 11 415 A G - 0 0 12 3,-2.9 23,-0.1 -2,-0.6 -2,-0.0 -0.457 55.2 -82.5-104.0-173.3 35.2 4.1 -7.9 12 416 A G S S+ 0 0 30 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.596 124.9 11.6 -65.6 -11.3 37.3 7.0 -8.9 13 417 A T S S+ 0 0 56 1,-0.3 21,-2.8 19,-0.1 2,-0.3 0.621 121.1 45.3-125.9 -47.9 40.5 5.0 -8.2 14 418 A N E - C 0 33A 42 19,-0.3 -3,-2.9 17,-0.0 2,-0.5 -0.740 49.8-155.4-113.3 147.2 39.8 1.3 -7.6 15 419 A L E -BC 10 32A 0 17,-3.2 17,-2.4 -2,-0.3 2,-0.4 -0.998 26.8-178.6-114.1 118.3 37.8 -1.5 -9.2 16 420 A R E -BC 9 31A 58 -7,-2.5 -7,-2.7 -2,-0.5 2,-0.4 -0.932 14.9-169.8-122.4 145.1 37.0 -4.3 -6.7 17 421 A V E +BC 8 30A 0 13,-2.2 13,-3.1 -2,-0.4 2,-0.3 -0.995 16.2 176.0-134.0 132.8 35.2 -7.6 -7.1 18 422 A A E -BC 7 29A 0 -11,-3.0 -11,-2.9 -2,-0.4 2,-0.6 -0.909 33.8-131.3-139.2 150.9 34.2 -9.7 -4.1 19 423 A I E -BC 6 28A 0 9,-2.2 8,-2.9 -2,-0.3 9,-1.1 -0.947 35.4-170.7 -96.8 119.6 32.4 -12.8 -3.1 20 424 A V E -BC 5 26A 0 -15,-2.5 -15,-2.8 -2,-0.6 6,-0.2 -0.982 13.0-134.3-120.8 130.1 30.1 -11.8 -0.3 21 425 A S E > -B 4 0A 2 4,-2.5 3,-2.4 -2,-0.4 -17,-0.2 -0.245 32.7-100.2 -71.8 163.7 28.0 -14.3 1.9 22 426 A M T 3 S+ 0 0 86 -19,-1.9 -18,-0.1 1,-0.3 -1,-0.1 0.836 124.7 55.6 -43.0 -41.0 24.4 -13.9 2.9 23 427 A K T 3 S- 0 0 149 2,-0.1 -1,-0.3 1,-0.1 -19,-0.1 0.365 122.3-103.4 -86.5 2.6 25.6 -12.6 6.2 24 428 A G S < S+ 0 0 18 -3,-2.4 2,-0.5 1,-0.3 -2,-0.1 0.731 71.1 144.6 83.7 22.3 27.7 -9.8 4.7 25 429 A E - 0 0 108 -4,-0.0 -4,-2.5 274,-0.0 2,-0.8 -0.838 50.8-131.5 -87.4 131.1 31.1 -11.5 5.2 26 430 A I E -C 20 0A 53 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.2 -0.733 24.4-175.3 -83.5 114.0 33.6 -10.7 2.4 27 431 A V E - 0 0 62 -8,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.902 68.0 -9.2 -78.9 -44.6 34.8 -14.1 1.5 28 432 A K E -C 19 0A 87 -9,-1.1 -9,-2.2 -3,-0.1 2,-0.4 -0.967 63.9-160.1-157.2 141.1 37.4 -13.0 -1.0 29 433 A K E -C 18 0A 95 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.996 1.6-161.4-132.5 132.6 38.2 -9.6 -2.6 30 434 A Y E -C 17 0A 44 -13,-3.1 -13,-2.2 -2,-0.4 2,-0.4 -0.911 13.2-164.4-111.9 137.9 40.1 -8.8 -5.8 31 435 A T E +C 16 0A 64 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.985 17.7 154.0-133.2 130.2 41.5 -5.2 -6.3 32 436 A Q E -C 15 0A 104 -17,-2.4 -17,-3.2 -2,-0.4 2,-0.1 -0.947 49.7 -90.1-138.5 162.3 42.8 -3.4 -9.4 33 437 A F E -C 14 0A 159 -2,-0.3 -19,-0.3 -19,-0.2 -20,-0.0 -0.472 48.8-108.1 -66.5 142.9 43.0 0.2 -10.5 34 438 A N - 0 0 16 -21,-2.8 7,-0.1 -2,-0.1 -1,-0.1 -0.681 42.1-119.5 -71.6 119.7 39.9 1.3 -12.3 35 439 A P - 0 0 20 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 -0.120 9.4-131.5 -61.9 166.3 41.0 1.6 -16.0 36 440 A K S S+ 0 0 173 52,-0.1 2,-0.3 -3,-0.0 53,-0.1 0.593 83.0 58.6 -96.9 -14.2 40.8 4.9 -17.7 37 441 A T S > S- 0 0 46 1,-0.1 4,-2.0 51,-0.0 5,-0.1 -0.846 80.1-123.3-120.2 159.2 39.1 3.8 -20.9 38 442 A Y H > S+ 0 0 80 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.896 107.3 52.9 -64.1 -44.5 35.9 2.0 -21.6 39 443 A E H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 114.2 41.8 -64.2 -42.7 37.3 -1.0 -23.5 40 444 A E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 114.1 53.0 -72.7 -34.2 39.8 -1.8 -20.7 41 445 A R H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.941 110.8 44.0 -64.6 -50.5 37.3 -1.2 -18.0 42 446 A I H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.891 115.1 49.9 -65.4 -37.2 34.6 -3.5 -19.4 43 447 A N H X S+ 0 0 86 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.911 112.3 46.6 -67.9 -40.2 37.1 -6.2 -20.2 44 448 A L H X S+ 0 0 34 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.933 109.9 53.6 -71.3 -45.0 38.7 -6.1 -16.7 45 449 A I H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.952 114.8 42.4 -47.8 -50.0 35.2 -6.1 -15.0 46 450 A L H X S+ 0 0 30 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.926 113.9 49.7 -67.1 -44.4 34.5 -9.3 -17.0 47 451 A Q H X S+ 0 0 128 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.874 114.6 45.0 -59.6 -44.1 37.9 -10.9 -16.5 48 452 A M H X S+ 0 0 15 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.879 113.3 50.8 -70.9 -35.3 37.7 -10.3 -12.7 49 453 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.932 110.4 48.1 -66.9 -45.0 34.1 -11.5 -12.5 50 454 A V H X S+ 0 0 74 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.931 114.0 47.7 -61.2 -45.7 34.8 -14.8 -14.4 51 455 A E H X S+ 0 0 100 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.923 111.9 49.0 -62.0 -46.4 37.8 -15.4 -12.1 52 456 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.868 110.5 52.1 -60.6 -38.7 35.8 -14.7 -8.9 53 457 A A H X S+ 0 0 27 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.903 109.8 48.2 -66.4 -37.6 33.1 -17.0 -10.2 54 458 A A H X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.894 113.4 47.7 -70.0 -36.1 35.6 -19.8 -10.7 55 459 A E H X S+ 0 0 42 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.868 103.4 62.2 -72.9 -34.2 37.1 -19.2 -7.3 56 460 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.4 0.932 102.6 50.9 -56.9 -44.5 33.6 -19.2 -5.6 57 461 A V H ><5S+ 0 0 111 -4,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.954 110.1 48.1 -58.8 -48.9 33.2 -22.8 -6.8 58 462 A K H 3<5S+ 0 0 153 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.791 113.8 48.9 -59.7 -29.1 36.5 -23.8 -5.3 59 463 A L T 3<5S- 0 0 76 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.364 116.1-117.8 -89.2 2.8 35.5 -22.0 -2.0 60 464 A N T < 5 + 0 0 109 -3,-1.7 2,-0.4 -4,-0.4 -3,-0.2 0.847 65.2 142.5 58.2 40.2 32.1 -23.7 -2.1 61 465 A C < - 0 0 12 -5,-2.5 2,-0.8 -6,-0.1 -59,-0.2 -0.891 45.7-141.4-104.9 136.5 30.1 -20.5 -2.4 62 466 A R E -a 3 0A 160 -60,-2.6 -58,-2.2 -61,-0.5 2,-0.4 -0.881 17.9-142.9 -99.7 109.8 26.9 -20.6 -4.6 63 467 A I E -a 4 0A 30 -2,-0.8 -58,-0.2 -60,-0.2 3,-0.1 -0.609 18.3-175.9 -77.1 126.3 26.7 -17.3 -6.5 64 468 A L E - 0 0 32 -60,-2.4 2,-0.3 -2,-0.4 -59,-0.2 0.547 60.0 -42.8 -99.2 -12.0 23.2 -16.0 -6.9 65 469 A G E - 0 0 0 -61,-0.2 -59,-2.9 41,-0.1 2,-0.4 -0.944 58.6 -90.7 165.1-178.6 23.8 -13.0 -9.0 66 470 A V E -ad 6 108A 0 41,-2.6 43,-2.6 -2,-0.3 2,-0.4 -0.982 26.4-164.8-127.6 129.7 26.0 -10.0 -9.5 67 471 A G E -ad 7 109A 0 -61,-2.6 -59,-2.1 -2,-0.4 2,-0.5 -0.970 9.1-156.1-115.5 135.1 25.5 -6.6 -8.0 68 472 A I E -ad 8 110A 2 41,-2.8 43,-2.2 -2,-0.4 2,-0.5 -0.953 8.6-168.6-119.2 121.8 27.3 -3.6 -9.4 69 473 A S E +ad 9 111A 0 -61,-3.5 -59,-2.2 -2,-0.5 2,-0.3 -0.934 22.7 165.8-100.2 131.5 28.1 -0.4 -7.5 70 474 A T E -ad 10 112A 0 41,-1.9 43,-1.7 -2,-0.5 44,-0.2 -0.997 39.1-113.4-146.8 143.8 29.4 2.4 -9.7 71 475 A G S S+ 0 0 13 -61,-1.7 2,-0.1 -2,-0.3 72,-0.0 -0.426 79.3 57.9 -59.7 155.1 30.0 6.1 -9.7 72 476 A G S S- 0 0 6 -2,-0.1 2,-0.4 2,-0.1 12,-0.2 -0.363 98.6 -56.9 108.3 167.2 27.8 7.9 -12.1 73 477 A R E -E 83 0B 27 10,-3.1 9,-2.5 -2,-0.1 10,-1.0 -0.752 61.5-164.9 -81.4 132.1 24.1 8.3 -12.6 74 478 A V E -E 81 0B 2 84,-0.5 7,-0.2 -2,-0.4 38,-0.2 -0.956 28.4-146.4-130.7 135.2 22.5 4.9 -13.1 75 479 A N E >> -E 80 0B 21 5,-3.1 5,-1.8 -2,-0.4 4,-1.1 -0.856 22.1-174.4 -92.8 99.7 19.2 3.6 -14.3 76 480 A P T 45S+ 0 0 24 0, 0.0 34,-0.4 0, 0.0 -1,-0.2 0.799 77.3 59.7 -68.1 -27.1 18.8 0.5 -12.1 77 481 A R T 45S+ 0 0 172 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.898 118.4 30.2 -71.3 -37.3 15.8 -0.9 -13.7 78 482 A E T 45S- 0 0 107 -3,-0.2 19,-0.2 2,-0.1 -1,-0.2 0.504 104.4-124.7 -95.9 -4.3 17.6 -1.1 -17.0 79 483 A G T <5 + 0 0 0 -4,-1.1 17,-1.9 31,-0.2 18,-1.6 0.870 63.0 140.6 62.6 43.8 21.1 -1.8 -15.6 80 484 A I E < -EF 75 95B 49 -5,-1.8 -5,-3.1 15,-0.2 2,-0.6 -0.960 53.7-138.1-124.3 125.3 22.5 1.2 -17.6 81 485 A V E -EF 74 94B 0 13,-3.1 13,-2.2 -2,-0.4 -7,-0.2 -0.771 24.5-174.9 -78.5 120.3 25.1 3.8 -16.5 82 486 A L E - 0 0 59 -9,-2.5 11,-1.3 -2,-0.6 2,-0.3 0.936 56.5 -10.6 -87.1 -50.2 23.7 7.0 -17.9 83 487 A H E -E 73 0B 94 -10,-1.0 -10,-3.1 9,-0.2 2,-0.4 -0.989 57.2-166.2-157.0 139.0 26.3 9.7 -17.2 84 488 A S - 0 0 17 -2,-0.3 7,-0.2 -12,-0.2 6,-0.1 -0.992 23.6-121.6-128.3 141.6 29.5 10.0 -15.2 85 489 A T > - 0 0 24 -2,-0.4 3,-2.2 1,-0.1 92,-0.1 -0.246 51.5 -89.8 -63.3 168.0 31.7 12.9 -14.1 86 490 A K T 3 S+ 0 0 134 90,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.533 114.8 90.3 -66.2 -3.0 35.3 12.7 -15.4 87 491 A L T 3 S+ 0 0 42 1,-0.3 2,-0.4 89,-0.0 -1,-0.3 0.827 102.8 29.2 -61.1 -30.3 36.2 10.7 -12.3 88 492 A I S < S- 0 0 8 -3,-2.2 3,-0.3 3,-0.1 -1,-0.3 -0.874 94.5-154.6-126.5 104.2 35.3 7.8 -14.4 89 493 A Q S S+ 0 0 105 -3,-0.4 -3,-0.1 -2,-0.4 -4,-0.1 -0.353 70.3 19.4 -78.6 154.1 36.0 8.7 -18.1 90 494 A E S S+ 0 0 104 -6,-0.1 -1,-0.2 1,-0.1 -4,-0.0 0.954 85.4 125.7 55.6 56.7 34.2 7.0 -21.0 91 495 A W + 0 0 4 -3,-0.3 2,-0.3 -7,-0.2 -1,-0.1 -0.504 29.7 120.0-150.6 66.5 31.3 5.9 -18.8 92 496 A N S S+ 0 0 93 -9,-0.2 -9,-0.2 1,-0.1 -10,-0.2 -0.980 77.3 0.5-136.5 134.6 28.1 7.2 -20.5 93 497 A S S S+ 0 0 87 -11,-1.3 2,-0.6 -2,-0.3 -11,-0.2 0.886 86.3 162.8 50.7 42.6 25.1 5.3 -21.9 94 498 A V E -F 81 0B 10 -13,-2.2 -13,-3.1 -3,-0.1 2,-0.9 -0.873 34.6-148.9-100.9 118.0 26.7 2.0 -20.9 95 499 A D E +F 80 0B 63 -2,-0.6 -15,-0.2 -15,-0.2 -16,-0.1 -0.701 24.2 168.2 -81.3 104.3 24.6 -1.2 -20.6 96 500 A L > + 0 0 0 -17,-1.9 4,-1.7 -2,-0.9 5,-0.3 0.789 65.7 63.9 -87.8 -30.5 26.3 -3.2 -18.0 97 501 A R H > S+ 0 0 66 -18,-1.6 4,-2.9 -19,-0.2 5,-0.3 0.930 98.9 52.0 -60.3 -49.6 23.5 -5.8 -17.5 98 502 A T H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.951 112.3 41.7 -58.4 -54.9 23.7 -7.4 -21.0 99 503 A P H > S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.890 119.0 44.9 -65.2 -37.0 27.4 -8.1 -21.1 100 504 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.909 116.0 45.6 -70.4 -41.9 27.7 -9.4 -17.6 101 505 A S H X S+ 0 0 35 -4,-2.9 4,-1.9 -5,-0.3 5,-0.2 0.896 114.0 49.2 -71.3 -35.7 24.6 -11.5 -17.7 102 506 A D H < S+ 0 0 103 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.908 118.4 39.8 -66.0 -40.6 25.6 -13.0 -21.2 103 507 A T H < S+ 0 0 61 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.926 129.4 27.1 -75.6 -45.8 29.1 -13.8 -20.0 104 508 A L H < S- 0 0 24 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.621 93.1-132.2 -95.4 -15.9 28.3 -15.1 -16.4 105 509 A H < + 0 0 156 -4,-1.9 -4,-0.2 -5,-0.3 -3,-0.1 0.919 66.6 118.2 57.2 50.9 24.8 -16.3 -16.9 106 510 A L S S- 0 0 33 -6,-0.3 -1,-0.3 -5,-0.2 2,-0.2 -0.942 72.3 -97.0-140.0 155.0 23.6 -14.5 -13.8 107 511 A P - 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0 0 47 -5,-0.1 -4,-2.9 -6,-0.0 -1,-0.4 -0.068 66.5-132.7 -85.0-164.5 31.0 23.2 -11.1 180 584 A H B S+L 174 0E 74 -6,-0.3 -6,-0.2 -11,-0.1 -11,-0.2 -0.984 76.8 37.1-150.3 152.2 32.8 24.9 -8.1 181 585 A G S S+ 0 0 0 -8,-2.8 -13,-2.2 -2,-0.3 -12,-0.2 0.448 73.7 147.3 83.5 -0.4 32.1 25.0 -4.4 182 586 A C B >> -K 167 0D 1 -9,-0.4 3,-1.0 -15,-0.2 4,-0.7 -0.378 60.8-120.5 -61.6 148.5 30.8 21.4 -4.2 183 587 A I H >> S+ 0 0 0 -17,-2.5 4,-2.7 -20,-0.3 3,-1.1 0.854 115.7 60.0 -61.5 -34.0 31.5 19.7 -1.0 184 588 A E H 3> S+ 0 0 10 -20,-2.6 4,-1.4 1,-0.2 7,-0.3 0.829 99.2 56.3 -55.5 -36.6 33.4 17.1 -3.0 185 589 A A H <4 S+ 0 0 5 -3,-1.0 -1,-0.2 -21,-0.3 -2,-0.2 0.645 117.7 34.9 -75.2 -15.4 35.7 19.9 -4.3 186 590 A Y H << S+ 0 0 40 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.766 130.9 20.2 -98.2 -38.8 36.6 20.8 -0.6 187 591 A A H < S+ 0 0 0 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.467 85.8 108.4-125.2 -6.0 36.6 17.5 1.3 188 592 A S S X S- 0 0 1 -4,-1.4 4,-2.1 -5,-0.3 5,-0.2 -0.239 79.7-102.9 -71.6 170.3 37.0 14.5 -0.9 189 593 A G H > S+ 0 0 17 -50,-2.8 4,-3.1 -48,-0.4 -49,-0.2 0.923 123.8 48.8 -57.9 -44.2 40.2 12.4 -0.9 190 594 A M H > S+ 0 0 68 -50,-1.9 4,-2.3 -51,-0.3 -1,-0.2 0.861 109.6 51.8 -70.4 -29.8 41.2 13.9 -4.2 191 595 A A H > S+ 0 0 3 -51,-0.4 4,-1.9 -7,-0.3 -1,-0.2 0.883 114.6 42.4 -70.4 -37.0 40.6 17.4 -2.9 192 596 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.908 110.6 56.7 -76.4 -40.9 42.7 16.8 0.2 193 597 A Q H X S+ 0 0 70 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.929 108.9 48.5 -48.1 -45.8 45.3 15.0 -2.0 194 598 A R H X S+ 0 0 86 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.937 111.3 47.5 -60.9 -49.1 45.5 18.3 -4.0 195 599 A E H X S+ 0 0 46 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.866 109.5 54.8 -62.7 -36.1 45.9 20.5 -0.9 196 600 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.825 108.8 47.8 -62.3 -38.6 48.6 18.1 0.4 197 601 A K H X S+ 0 0 99 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.884 109.0 54.6 -70.1 -38.9 50.6 18.5 -2.8 198 602 A K H X S+ 0 0 99 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.925 111.9 43.2 -56.0 -52.5 50.1 22.3 -2.6 199 603 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 3,-0.3 0.970 114.0 50.8 -56.6 -56.0 51.6 22.5 0.9 200 604 A H H ><5S+ 0 0 74 -4,-2.3 3,-1.3 3,-0.3 -1,-0.2 0.736 103.2 61.3 -60.1 -22.9 54.4 20.0 0.0 201 605 A D H 3<5S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.968 105.9 44.2 -67.2 -52.5 55.2 22.2 -3.0 202 606 A E T 3<5S- 0 0 55 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.192 120.6-114.7 -75.8 24.1 56.0 25.1 -0.8 203 607 A D T < 5S+ 0 0 141 -3,-1.3 -3,-0.3 1,-0.1 -2,-0.1 0.771 85.3 123.2 48.5 33.4 57.9 22.5 1.3 204 608 A L < + 0 0 83 -5,-2.9 -4,-0.2 -6,-0.2 25,-0.2 0.130 49.0 67.0-116.7 18.4 55.2 23.3 4.0 205 609 A L S S+ 0 0 2 -6,-0.2 -1,-0.1 -8,-0.1 2,-0.1 0.832 76.9 78.6-102.7 -56.7 53.6 19.9 4.7 206 610 A L + 0 0 80 -6,-0.1 2,-0.2 -7,-0.1 13,-0.0 -0.397 55.5 175.5 -67.8 135.5 56.2 17.7 6.5 207 611 A V - 0 0 52 -2,-0.1 3,-0.2 1,-0.1 19,-0.1 -0.829 47.2 -51.8-132.0 168.2 56.8 18.3 10.2 208 612 A E S S+ 0 0 92 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.189 124.0 29.9 -47.5 120.5 59.0 16.6 13.0 209 613 A G S S+ 0 0 65 1,-0.4 2,-0.3 -3,-0.0 -1,-0.2 0.821 101.0 91.7 97.3 42.8 58.2 12.9 12.9 210 614 A M 0 0 38 -3,-0.2 -1,-0.4 1,-0.1 -4,-0.0 -0.924 360.0 360.0-153.7 169.7 57.3 12.2 9.3 211 615 A S 0 0 148 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.375 360.0 360.0-149.3 360.0 58.9 11.2 6.0 212 ! 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 0.0 213 621 A A 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 67.4 52.8 9.5 -3.4 214 622 A V + 0 0 33 3,-0.1 2,-0.3 4,-0.1 -17,-0.1 -0.181 360.0 149.9 -59.2 152.9 51.6 12.3 -1.0 215 623 A G >> - 0 0 13 -19,-0.1 4,-1.1 1,-0.1 3,-0.9 -0.920 56.0 -57.2-166.4-175.5 47.9 12.2 -0.1 216 624 A A H >> S+ 0 0 13 -2,-0.3 4,-2.3 1,-0.2 3,-0.8 0.878 122.7 55.5 -46.3 -51.3 45.1 12.9 2.3 217 625 A L H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.797 103.0 56.5 -66.0 -23.3 46.5 10.8 5.2 218 626 A H H <> S+ 0 0 68 -3,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.838 108.3 48.7 -71.3 -33.5 49.8 12.8 5.1 219 627 A L H S+ 0 0 0 -4,-1.3 5,-2.3 2,-0.2 -1,-0.2 0.819 109.5 50.8 -78.6 -34.5 50.7 16.4 9.7 223 631 A A H ><5S+ 0 0 11 -4,-1.8 3,-1.7 3,-0.2 -2,-0.2 0.906 106.9 53.4 -68.7 -41.0 47.9 18.2 11.4 224 632 A K H 3<5S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.8 53.9 -58.8 -33.8 47.9 15.7 14.3 225 633 A L T 3<5S- 0 0 82 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.113 130.8 -90.3 -93.3 17.1 51.6 16.5 14.7 226 634 A G T < 5 + 0 0 51 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.498 68.5 152.8 96.4 6.8 51.0 20.3 14.9 227 635 A N >< - 0 0 20 -5,-2.3 4,-1.9 1,-0.2 -1,-0.2 -0.615 28.9-160.3 -69.2 113.1 51.2 21.7 11.3 228 636 A A H > S+ 0 0 67 -2,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.828 84.5 49.5 -70.8 -36.9 49.0 24.9 11.5 229 637 A K H > S+ 0 0 124 2,-0.2 4,-1.5 -25,-0.2 -1,-0.2 0.746 111.2 48.9 -75.3 -26.1 48.3 25.2 7.8 230 638 A A H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.882 109.3 52.9 -80.2 -39.8 47.2 21.6 7.3 231 639 A Q H X S+ 0 0 72 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 110.2 49.8 -51.6 -45.4 44.9 21.9 10.4 232 640 A S H X S+ 0 0 52 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 109.6 50.0 -63.3 -42.6 43.4 24.9 8.7 233 641 A I H X S+ 0 0 28 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.898 112.4 46.9 -64.5 -43.5 42.9 23.1 5.4 234 642 A L H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.786 110.3 53.9 -69.2 -30.6 41.3 20.2 7.2 235 643 A R H X S+ 0 0 134 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.895 110.5 45.8 -66.6 -43.4 39.1 22.7 9.2 236 644 A T H X S+ 0 0 77 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.963 114.8 49.1 -64.3 -48.1 37.9 24.3 6.0 237 645 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.915 113.3 44.8 -51.8 -56.2 37.3 20.9 4.4 238 646 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.808 111.3 53.8 -59.8 -35.6 35.3 19.6 7.4 239 647 A T H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.929 108.6 49.9 -65.2 -44.0 33.3 22.8 7.7 240 648 A A H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.947 112.2 46.7 -60.1 -47.8 32.3 22.5 4.0 241 649 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 111.2 53.0 -58.4 -43.0 31.3 18.9 4.6 242 650 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.880 107.1 50.5 -62.7 -37.8 29.4 19.9 7.7 243 651 A L H X S+ 0 0 39 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.834 107.1 55.1 -68.7 -31.3 27.5 22.6 5.7 244 652 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.925 107.7 49.9 -64.0 -39.3 26.6 19.9 3.2 245 653 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.937 106.5 54.3 -66.8 -40.3 25.2 18.0 6.1 246 654 A V H X S+ 0 0 9 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.906 106.2 53.7 -56.9 -43.1 23.1 21.0 7.3 247 655 A N H X S+ 0 0 62 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.932 109.0 48.3 -61.2 -40.9 21.6 21.3 3.9 248 656 A I H X>S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.2 5,-1.2 0.935 111.2 50.0 -64.4 -43.3 20.6 17.7 4.0 249 657 A L H X5S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.917 113.2 45.5 -61.4 -40.1 19.1 18.1 7.5 250 658 A H H <5S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.680 121.3 40.9 -81.4 -12.0 17.1 21.2 6.4 251 659 A T H <5S+ 0 0 113 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.925 136.1 6.7 -92.6 -65.8 16.0 19.3 3.3 252 660 A M H <5S- 0 0 58 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.633 78.1-148.7 -94.9 -25.2 15.2 15.8 4.3 253 661 A N << - 0 0 94 -5,-1.2 -4,-0.2 -4,-0.5 -3,-0.1 0.930 25.2-171.1 51.7 53.9 15.5 15.9 8.1 254 662 A P - 0 0 3 0, 0.0 -121,-0.2 0, 0.0 -1,-0.1 -0.355 29.6-129.8 -68.2 159.7 16.7 12.3 8.5 255 663 A S S S+ 0 0 55 -123,-1.3 32,-2.2 1,-0.2 2,-0.3 0.713 90.6 29.1 -82.2 -16.4 17.0 10.8 12.0 256 664 A L E - j 0 287C 11 -124,-0.5 -122,-1.8 30,-0.2 2,-0.4 -0.997 58.5-162.4-145.8 141.2 20.5 9.5 11.2 257 665 A V E -hj 134 288C 0 30,-2.6 32,-2.3 -2,-0.3 2,-0.6 -0.996 14.2-160.4-124.3 122.1 23.4 10.6 9.1 258 666 A I E -hj 135 289C 0 -124,-2.5 -122,-2.4 -2,-0.4 2,-0.5 -0.914 1.1-161.9-104.4 119.2 26.1 7.9 8.5 259 667 A L E +hj 136 290C 2 30,-3.1 32,-2.5 -2,-0.6 2,-0.2 -0.848 19.4 171.3 -96.6 131.1 29.5 9.0 7.4 260 668 A S E +h 137 0C 3 -124,-2.3 -122,-2.4 -2,-0.5 3,-0.2 -0.795 25.8 68.9-131.7 177.3 31.7 6.3 5.8 261 669 A G S > S- 0 0 30 -2,-0.2 3,-2.0 -124,-0.2 4,-0.4 -0.071 94.9 -64.8 90.7 167.3 35.0 6.0 3.9 262 670 A V T 3 S+ 0 0 95 -124,-0.4 3,-0.4 1,-0.3 4,-0.3 0.774 132.5 53.0 -67.4 -23.9 38.5 6.5 5.3 263 671 A L T >> S+ 0 0 2 -125,-0.3 4,-1.7 -3,-0.2 3,-1.2 0.649 83.5 92.2 -82.0 -13.8 38.0 10.2 6.0 264 672 A A H <> S+ 0 0 3 -3,-2.0 4,-2.0 1,-0.3 3,-0.3 0.861 84.5 48.3 -48.9 -48.6 34.8 9.7 8.1 265 673 A S H 34 S+ 0 0 71 -4,-0.4 4,-0.4 -3,-0.4 -1,-0.3 0.755 111.1 51.8 -64.4 -28.6 36.6 9.4 11.4 266 674 A H H <4 S+ 0 0 75 -3,-1.2 -1,-0.2 -4,-0.3 4,-0.2 0.808 116.4 38.9 -81.3 -29.1 38.6 12.5 10.7 267 675 A Y H >X S+ 0 0 6 -4,-1.7 4,-2.5 -3,-0.3 3,-0.8 0.696 90.4 86.8 -91.8 -24.4 35.5 14.6 9.8 268 676 A I H 3X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.827 87.3 49.8 -51.7 -41.8 32.9 13.5 12.3 269 677 A H H 3> S+ 0 0 132 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.818 113.6 46.0 -73.1 -30.2 33.7 15.9 15.2 270 678 A I H <> S+ 0 0 36 -3,-0.8 4,-2.8 -4,-0.2 -1,-0.2 0.892 109.7 54.2 -77.7 -38.9 33.8 19.0 12.9 271 679 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.933 109.3 47.9 -59.1 -44.3 30.5 18.0 11.2 272 680 A K H X S+ 0 0 74 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.906 111.4 51.7 -65.3 -38.8 28.8 17.7 14.6 273 681 A D H X S+ 0 0 71 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.929 109.4 48.8 -60.6 -46.0 30.3 21.1 15.6 274 682 A V H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 5,-0.5 0.940 111.6 49.3 -62.3 -43.3 29.0 22.8 12.4 275 683 A I H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.946 113.2 47.8 -56.3 -48.5 25.5 21.3 12.9 276 684 A R H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 117.1 42.0 -60.0 -39.3 25.5 22.5 16.5 277 685 A Q H < S+ 0 0 148 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.809 132.5 14.5 -82.2 -30.4 26.6 25.9 15.6 278 686 A Q H < S+ 0 0 115 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.640 95.7 92.9-123.7 -23.6 24.5 26.5 12.5 279 687 A A S < S- 0 0 12 -4,-2.3 5,-0.1 -5,-0.5 -32,-0.0 -0.370 82.3 -88.4 -79.2 159.0 21.5 24.0 12.0 280 688 A L > - 0 0 116 -34,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.263 35.8-114.2 -62.5 152.3 18.0 24.7 13.3 281 689 A S G > S+ 0 0 97 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.887 112.5 64.2 -55.2 -41.7 17.2 23.6 16.8 282 690 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.575 103.2 46.8 -65.8 -14.0 14.7 21.0 15.6 283 691 A V G X S+ 0 0 9 -3,-1.8 3,-1.9 1,-0.1 -1,-0.3 0.359 82.9 97.3-102.0 3.0 17.4 19.0 13.8 284 692 A Q T < S+ 0 0 71 -3,-2.0 -2,-0.1 -4,-0.4 -1,-0.1 0.726 74.7 63.6 -65.8 -22.6 19.8 19.0 16.8 285 693 A D T 3 S+ 0 0 127 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.403 75.5 126.4 -79.4 1.9 18.6 15.6 17.8 286 694 A V < - 0 0 18 -3,-1.9 2,-0.4 1,-0.1 -30,-0.2 -0.354 60.4-131.0 -58.0 136.3 20.0 14.1 14.6 287 695 A D E -j 256 0C 100 -32,-2.2 -30,-2.6 -33,-0.1 2,-0.4 -0.837 22.6-171.0 -86.9 131.2 22.4 11.1 15.2 288 696 A V E +j 257 0C 8 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.998 16.7 163.5-124.5 119.0 25.6 11.4 13.2 289 697 A V E -j 258 0C 34 -32,-2.3 -30,-3.1 -2,-0.4 2,-0.4 -0.909 39.8-113.3-131.3 161.3 27.8 8.3 13.3 290 698 A V E -j 259 0C 46 -2,-0.3 -30,-0.2 -32,-0.2 -32,-0.0 -0.830 49.3-100.5 -88.8 138.6 30.8 6.8 11.5 291 699 A S - 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