==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-FEB-02 1L1D . COMPND 2 MOLECULE: PEPTIDE METHIONINE SULFOXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR W.T.LOWTHER,H.WEISSBACH,F.ETIENNE,N.BROT,B.W.MATTHEWS . 291 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 60.1 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 . 70 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 4 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 1 378 A Y 0 0 129 0, 0.0 2,-0.3 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 107.6 35.1 29.8 -8.3 2 379 A K - 0 0 167 46,-0.3 95,-0.2 45,-0.1 48,-0.1 -0.824 360.0-115.0-127.7 167.4 33.4 27.6 -10.9 3 380 A K - 0 0 77 93,-0.4 3,-0.1 -2,-0.3 45,-0.1 -0.896 26.3-135.2-108.0 122.0 33.6 24.1 -12.3 4 381 A P - 0 0 48 0, 0.0 -1,-0.0 0, 0.0 5,-0.0 -0.076 43.0 -74.2 -63.5 170.0 34.6 23.3 -15.9 5 382 A S > - 0 0 53 1,-0.1 4,-2.4 4,-0.0 3,-0.4 -0.299 41.6-112.6 -66.7 152.8 32.7 20.8 -18.1 6 383 A D H > S+ 0 0 68 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.873 120.1 53.8 -52.2 -39.1 33.2 17.1 -17.4 7 384 A A H 4 S+ 0 0 62 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.871 108.2 47.3 -65.3 -39.6 35.0 16.9 -20.7 8 385 A E H >4 S+ 0 0 113 -3,-0.4 3,-1.1 1,-0.2 4,-0.5 0.867 108.3 56.8 -70.1 -36.4 37.4 19.7 -19.9 9 386 A L H >X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.3 3,-1.5 0.897 97.0 62.5 -61.1 -41.2 38.1 18.1 -16.6 10 387 A K T 3< S+ 0 0 128 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.721 107.8 44.4 -58.0 -21.4 39.2 14.9 -18.2 11 388 A R T <4 S+ 0 0 230 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.452 120.4 36.1-104.8 -1.7 42.0 16.7 -19.9 12 389 A T T <4 S+ 0 0 104 -3,-1.5 2,-0.2 -4,-0.5 -2,-0.2 0.712 104.1 69.8-115.5 -42.1 43.3 18.8 -17.0 13 390 A L S < S- 0 0 20 -4,-2.7 -1,-0.0 -5,-0.2 2,-0.0 -0.507 83.1-116.6 -81.1 147.4 42.9 16.5 -14.0 14 391 A T > - 0 0 74 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.333 35.6-102.6 -72.1 165.2 45.1 13.4 -13.5 15 392 A E H > S+ 0 0 133 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.941 124.8 48.5 -54.2 -48.0 43.2 10.1 -13.4 16 393 A E H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 111.6 47.0 -57.8 -53.3 43.6 10.0 -9.6 17 394 A Q H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.867 115.4 47.6 -58.8 -38.7 42.3 13.6 -9.1 18 395 A Y H X>S+ 0 0 25 -4,-2.6 4,-2.7 2,-0.2 5,-0.9 0.942 111.1 48.9 -69.3 -48.3 39.4 13.0 -11.5 19 396 A Q H X5S+ 0 0 56 -4,-2.9 6,-2.4 -5,-0.2 4,-0.8 0.881 116.5 43.7 -60.5 -39.0 38.3 9.7 -9.9 20 397 A V H X5S+ 0 0 1 -4,-2.4 4,-0.8 4,-0.3 -2,-0.2 0.980 122.7 33.1 -72.3 -55.7 38.4 11.2 -6.4 21 398 A T H <5S+ 0 0 0 -4,-2.2 79,-2.1 -5,-0.2 -2,-0.2 0.849 130.8 31.4 -71.8 -34.6 36.7 14.5 -7.1 22 399 A Q H <5S+ 0 0 35 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.1 0.833 131.9 27.8 -94.5 -34.9 34.3 13.4 -9.8 23 400 A N H < - 0 0 196 1,-0.1 3,-1.9 2,-0.1 4,-0.4 -0.354 56.0 -96.9 -60.7 137.8 45.0 4.8 -0.5 29 406 A A T 3 S+ 0 0 40 1,-0.3 36,-0.2 2,-0.1 35,-0.1 -0.273 106.8 8.1 -56.9 141.2 45.4 5.7 3.2 30 407 A F T 3 S+ 0 0 56 34,-3.6 -1,-0.3 1,-0.1 35,-0.1 0.558 100.1 111.2 62.5 12.9 48.7 7.4 4.0 31 408 A S < + 0 0 55 -3,-1.9 2,-0.3 33,-0.3 -2,-0.1 0.742 51.9 85.1 -87.9 -25.3 49.5 7.7 0.3 32 409 A H S > S- 0 0 39 32,-0.4 3,-1.9 -4,-0.4 4,-0.5 -0.615 72.0-135.8 -89.4 140.6 49.3 11.4 -0.2 33 410 A E G > S+ 0 0 146 -2,-0.3 3,-0.8 1,-0.3 4,-0.2 0.837 104.7 61.9 -53.2 -38.6 52.1 13.9 0.4 34 411 A Y G > S+ 0 0 30 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.670 82.8 82.4 -66.3 -16.2 49.6 16.3 2.1 35 412 A D G < S+ 0 0 10 -3,-1.9 32,-0.3 1,-0.3 -1,-0.2 0.932 107.3 23.3 -53.9 -48.8 48.9 13.6 4.8 36 413 A H G < S+ 0 0 106 -3,-0.8 2,-0.5 -4,-0.5 -1,-0.3 0.176 94.8 119.6-106.4 18.6 52.0 14.6 6.8 37 414 A L < + 0 0 38 -3,-0.9 2,-0.1 -4,-0.2 -3,-0.0 -0.735 28.2 168.0 -87.4 122.2 52.4 18.2 5.5 38 415 A F + 0 0 103 -2,-0.5 -1,-0.1 2,-0.0 -3,-0.0 -0.519 25.2 130.8-134.0 67.3 52.2 20.8 8.2 39 416 A K - 0 0 93 -2,-0.1 2,-0.1 1,-0.0 -2,-0.0 -0.883 64.9 -90.1-116.9 150.6 53.4 24.1 6.7 40 417 A P S S+ 0 0 65 0, 0.0 89,-2.7 0, 0.0 90,-0.3 -0.377 83.2 72.1 -63.3 128.7 51.6 27.5 6.9 41 418 A G E S-A 128 0A 0 87,-0.3 14,-2.5 -2,-0.1 2,-0.3 -0.965 73.8 -78.9 158.0-168.0 49.2 28.1 4.1 42 419 A I E -AB 127 54A 0 85,-1.9 85,-2.9 -2,-0.3 2,-0.5 -0.853 22.7-132.3-126.8 162.5 45.8 27.1 2.8 43 420 A Y E -AB 126 53A 0 10,-3.2 9,-2.6 -2,-0.3 10,-2.0 -0.970 28.0-169.3-115.6 125.0 44.4 24.1 0.9 44 421 A V E -AB 125 51A 4 81,-2.8 81,-1.6 -2,-0.5 2,-0.2 -0.752 36.2 -82.9-114.3 160.0 42.1 24.9 -2.1 45 422 A D E > -A 124 0A 1 5,-2.9 4,-2.5 -2,-0.3 79,-0.2 -0.419 35.2-141.5 -59.6 124.2 39.8 22.9 -4.3 46 423 A V T 4 S+ 0 0 29 77,-2.3 -1,-0.2 1,-0.2 78,-0.1 0.798 99.0 45.7 -61.1 -26.2 42.0 21.3 -7.0 47 424 A V T 4 S+ 0 0 22 76,-0.3 -1,-0.2 3,-0.1 -45,-0.1 0.920 130.1 13.1 -83.1 -47.4 39.2 21.9 -9.5 48 425 A S T 4 S- 0 0 21 2,-0.1 -46,-0.3 -47,-0.1 -2,-0.2 0.596 89.2-121.3-108.7 -15.5 38.1 25.5 -8.8 49 426 A G < + 0 0 15 -4,-2.5 -3,-0.1 1,-0.3 3,-0.1 0.445 56.9 154.5 85.6 -1.6 40.7 27.1 -6.6 50 427 A E - 0 0 22 -6,-0.1 -5,-2.9 -5,-0.1 -1,-0.3 -0.412 51.5-111.8 -62.1 128.4 38.0 27.8 -3.9 51 428 A P E +B 44 0A 12 0, 0.0 -7,-0.3 0, 0.0 22,-0.1 -0.429 46.9 163.2 -63.2 135.1 39.7 27.9 -0.5 52 429 A L E + 0 0 0 -9,-2.6 20,-3.0 1,-0.4 21,-0.4 0.733 53.3 14.9-121.9 -44.4 38.7 24.9 1.7 53 430 A F E -B 43 0A 0 -10,-2.0 -10,-3.2 18,-0.3 -1,-0.4 -0.980 59.9-137.7-139.1 151.9 40.9 24.4 4.7 54 431 A S E > -B 42 0A 0 16,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.804 22.5-126.9-108.6 150.4 43.6 26.3 6.6 55 432 A S G > S+ 0 0 21 -14,-2.5 3,-0.9 -2,-0.3 -13,-0.1 0.760 107.9 71.7 -62.0 -23.0 46.9 25.0 7.9 56 433 A A G 3 S+ 0 0 58 87,-0.3 -1,-0.3 -15,-0.3 88,-0.1 0.782 103.1 38.3 -63.9 -28.3 45.7 26.5 11.2 57 434 A D G < S+ 0 0 28 -3,-1.5 12,-2.0 13,-0.1 2,-0.3 0.356 89.8 111.1-106.8 5.6 43.2 23.7 11.6 58 435 A K E < +C 68 0B 16 -3,-0.9 2,-0.3 -4,-0.4 10,-0.2 -0.606 41.1 161.0 -81.8 138.0 45.2 20.8 10.2 59 436 A Y E -C 67 0B 30 8,-2.1 2,-0.9 -2,-0.3 8,-0.5 -0.934 44.9 -92.4-149.4 172.4 46.2 18.1 12.8 60 437 A D + 0 0 60 -2,-0.3 148,-1.5 1,-0.2 -24,-0.1 -0.790 43.5 157.8 -96.8 103.7 47.4 14.5 13.1 61 438 A S - 0 0 12 -2,-0.9 -1,-0.2 4,-0.3 146,-0.1 0.553 48.9-130.3 -97.2 -12.5 44.4 12.2 13.6 62 439 A G S S+ 0 0 10 3,-0.1 196,-0.5 195,-0.1 197,-0.2 0.654 70.7 125.6 71.2 16.0 46.3 9.1 12.3 63 440 A a S S- 0 0 28 2,-0.3 195,-0.1 194,-0.1 -1,-0.1 0.761 80.7-109.0 -78.9 -25.1 43.4 8.3 10.0 64 441 A G S S+ 0 0 0 1,-0.4 -34,-3.6 -35,-0.1 -32,-0.4 0.306 89.2 71.0 116.0 -8.8 45.5 8.1 6.8 65 442 A W S S- 0 0 58 -36,-0.2 -1,-0.4 -35,-0.1 -2,-0.3 -0.934 98.6 -72.2-136.8 157.6 44.3 11.3 5.1 66 443 A P - 0 0 0 0, 0.0 53,-3.0 0, 0.0 2,-0.4 -0.252 57.4-157.1 -48.8 132.5 44.8 15.1 5.6 67 444 A S E +CD 59 118B 3 -8,-0.5 -8,-2.1 -32,-0.3 2,-0.3 -0.967 16.9 177.6-125.1 137.1 42.7 15.9 8.7 68 445 A F E -CD 58 117B 0 49,-2.0 49,-3.3 -2,-0.4 -10,-0.2 -0.947 31.4-138.8-133.9 152.6 41.2 19.3 9.7 69 446 A T S S- 0 0 10 -12,-2.0 46,-0.4 -2,-0.3 -11,-0.1 0.680 86.7 -8.4 -84.1 -16.4 39.0 20.3 12.6 70 447 A R S S- 0 0 95 -13,-0.2 -16,-0.4 -16,-0.1 -1,-0.2 -0.977 76.9 -91.7-171.0 161.0 36.9 22.6 10.4 71 448 A P - 0 0 9 0, 0.0 -18,-0.3 0, 0.0 3,-0.2 -0.433 42.9-110.8 -79.2 160.0 36.6 24.1 6.9 72 449 A I S S+ 0 0 8 -20,-3.0 2,-0.3 1,-0.2 -19,-0.2 0.776 107.5 15.9 -63.7 -24.3 38.2 27.6 6.4 73 450 A D S > S- 0 0 62 -21,-0.4 3,-2.6 -22,-0.1 4,-0.5 -0.958 77.8-128.2-149.8 127.8 34.7 29.0 6.1 74 451 A A T 3 S+ 0 0 84 -2,-0.3 3,-0.5 1,-0.3 -2,-0.1 0.768 111.8 51.9 -46.4 -30.4 31.5 27.3 7.1 75 452 A K T 3 S+ 0 0 133 1,-0.2 -1,-0.3 -4,-0.0 20,-0.0 0.608 86.9 84.9 -84.7 -13.0 30.1 27.9 3.6 76 453 A S S < S+ 0 0 10 -3,-2.6 19,-2.7 -24,-0.1 20,-0.3 0.766 94.4 34.2 -60.9 -30.2 33.0 26.4 1.8 77 454 A V E -E 94 0B 10 -3,-0.5 2,-0.3 -4,-0.5 17,-0.2 -0.833 67.2-142.5-127.5 165.2 31.8 22.8 2.0 78 455 A T E -E 93 0B 28 15,-3.0 15,-2.1 -2,-0.3 2,-0.4 -0.929 15.1-135.5-125.5 150.5 28.5 20.9 1.9 79 456 A E E +E 92 0B 114 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.842 21.9 179.9-108.7 144.3 27.4 17.8 3.8 80 457 A H E -E 91 0B 68 11,-2.0 11,-3.1 -2,-0.4 2,-0.1 -1.000 33.1-109.5-145.3 139.9 25.6 14.8 2.4 81 458 A D E -E 90 0B 101 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.452 33.0-159.9 -66.0 136.5 24.4 11.5 3.8 82 459 A D E +E 89 0B 24 7,-2.5 7,-2.1 -2,-0.1 -1,-0.1 -0.912 24.5 167.2-127.0 103.8 26.5 8.7 2.4 83 460 A F + 0 0 137 -2,-0.5 3,-0.3 5,-0.2 4,-0.2 -0.035 35.0 139.2-101.4 28.3 25.0 5.2 2.5 84 461 A S > + 0 0 37 1,-0.2 3,-0.7 2,-0.1 -2,-0.1 -0.292 64.5 5.6 -70.0 159.2 27.7 3.9 0.3 85 462 A F T 3 S- 0 0 179 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.784 128.3 -53.6 25.9 77.7 29.2 0.4 0.9 86 463 A N T 3 S+ 0 0 168 -3,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.737 112.7 75.7 34.0 56.5 27.0 -0.8 3.9 87 464 A X S < S- 0 0 104 -3,-0.7 2,-0.6 -4,-0.2 -1,-0.1 -0.984 73.3-108.1-173.4 167.5 27.3 2.1 6.4 88 465 A R + 0 0 185 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.902 45.4 147.2-116.0 110.9 26.2 5.6 7.3 89 466 A R E -E 82 0B 56 -7,-2.1 -7,-2.5 -2,-0.6 2,-0.6 -0.792 46.6-111.6-130.0 171.9 28.7 8.5 7.0 90 467 A T E -EF 81 104B 43 14,-0.6 14,-2.1 -2,-0.3 -9,-0.2 -0.922 30.9-148.7-111.9 109.1 28.6 12.2 6.2 91 468 A E E -EF 80 103B 22 -11,-3.1 -11,-2.0 -2,-0.6 2,-0.5 -0.477 5.0-147.6 -75.9 146.3 30.3 13.0 2.9 92 469 A V E +EF 79 102B 0 10,-2.7 9,-2.7 -13,-0.2 10,-1.8 -0.962 21.0 172.5-117.4 130.4 32.0 16.4 2.5 93 470 A R E -EF 78 100B 35 -15,-2.1 -15,-3.0 -2,-0.5 7,-0.2 -0.931 35.7 -98.9-133.8 155.6 32.0 18.1 -0.9 94 471 A S E > -E 77 0B 1 5,-2.1 4,-0.7 -2,-0.3 -17,-0.3 -0.485 25.4-134.5 -77.1 147.3 33.1 21.6 -2.1 95 472 A R T 4 S+ 0 0 137 -19,-2.7 -18,-0.1 -2,-0.2 -1,-0.1 0.956 94.7 34.2 -65.4 -57.3 30.5 24.4 -2.5 96 473 A A T 4 S+ 0 0 33 -20,-0.3 -93,-0.4 1,-0.2 -1,-0.1 0.919 132.6 23.6 -71.9 -45.8 31.5 25.9 -5.9 97 474 A A T 4 S- 0 0 1 -95,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.500 93.0-132.4-100.4 -5.1 32.7 23.0 -7.9 98 475 A D < + 0 0 76 -4,-0.7 2,-0.3 1,-0.2 -3,-0.1 0.881 42.4 170.9 55.8 41.5 30.9 20.2 -6.0 99 476 A S - 0 0 0 24,-0.1 -5,-2.1 1,-0.1 2,-0.4 -0.618 40.7-114.1 -82.0 141.9 34.1 18.1 -5.8 100 477 A H E +F 93 0B 2 -79,-2.1 -7,-0.2 -2,-0.3 -77,-0.1 -0.635 42.6 170.1 -71.3 130.3 34.0 15.0 -3.6 101 478 A L E - 0 0 0 -9,-2.7 19,-2.6 -2,-0.4 2,-0.3 0.775 43.2 -93.5-110.1 -47.6 36.4 15.9 -0.8 102 479 A G E -FG 92 119B 3 -10,-1.8 -10,-2.7 17,-0.2 -1,-0.3 -0.903 48.3 -59.1 167.5-137.4 36.0 13.2 1.9 103 480 A H E -FG 91 118B 13 15,-2.0 15,-3.0 -12,-0.3 2,-0.4 -0.954 29.6-137.5-140.9 160.2 34.0 12.6 5.1 104 481 A V E -FG 90 117B 10 -14,-2.1 -14,-0.6 -2,-0.3 13,-0.2 -0.967 18.5-166.5-122.0 137.3 33.6 14.3 8.5 105 482 A F E - G 0 116B 51 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.898 28.7-124.3-123.0 152.9 33.3 12.4 11.8 106 483 A P S S+ 0 0 103 0, 0.0 9,-0.1 0, 0.0 11,-0.0 -0.091 91.2 84.7 -85.2 35.9 32.3 13.4 15.3 107 484 A D + 0 0 58 -2,-0.4 8,-0.2 9,-0.1 3,-0.1 -0.137 59.3 121.9-128.7 38.6 35.5 12.3 16.9 108 485 A G S S- 0 0 0 6,-2.3 8,-0.2 -3,-0.3 5,-0.1 -0.389 79.2 -51.2 -94.0 175.8 37.8 15.3 16.5 109 486 A P > > - 0 0 6 0, 0.0 5,-2.6 0, 0.0 3,-1.7 -0.238 51.7-144.7 -48.2 116.4 39.6 17.4 19.1 110 487 A R G > 5S+ 0 0 127 1,-0.3 3,-1.4 3,-0.2 -2,-0.1 0.864 96.5 53.0 -55.1 -42.5 36.9 18.4 21.6 111 488 A D G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 73,-0.0 0.498 108.7 52.8 -74.9 -1.3 38.3 21.8 22.3 112 489 A K G < 5S- 0 0 128 -3,-1.7 -1,-0.3 -4,-0.0 -2,-0.2 0.243 138.1 -73.1-114.8 9.5 38.3 22.6 18.6 113 490 A G T < 5 - 0 0 62 -3,-1.4 -3,-0.2 -4,-0.1 -2,-0.1 0.224 59.7-103.2 119.5 -14.8 34.7 21.7 17.9 114 491 A G S - 0 0 6 -19,-2.6 3,-1.5 -2,-0.4 4,-0.3 -0.457 16.8-144.3 -66.0 130.0 41.7 13.2 0.2 121 498 A G G > S+ 0 0 0 1,-0.3 3,-1.4 -2,-0.2 -1,-0.2 0.787 98.7 69.0 -65.8 -23.9 44.9 15.0 -0.7 122 499 A A G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -21,-0.1 -101,-0.2 0.675 94.2 55.2 -68.5 -15.8 44.0 14.4 -4.3 123 500 A S G < S+ 0 0 0 -3,-1.5 -77,-2.3 -22,-0.2 -76,-0.3 0.506 105.3 69.9 -93.3 -4.2 41.1 16.8 -4.0 124 501 A L E < -A 45 0A 2 -3,-1.4 2,-0.4 -4,-0.3 -79,-0.2 -0.713 56.9-157.8-118.1 166.2 43.3 19.6 -2.8 125 502 A K E -A 44 0A 89 -81,-1.6 -81,-2.8 -2,-0.2 2,-0.3 -0.979 24.3-137.0-138.9 119.8 46.0 22.0 -3.8 126 503 A F E -A 43 0A 24 -2,-0.4 -83,-0.2 -83,-0.2 -85,-0.0 -0.614 13.1-166.7 -83.7 138.1 48.3 23.6 -1.2 127 504 A I E -A 42 0A 15 -85,-2.9 -85,-1.9 -2,-0.3 5,-0.1 -0.932 19.1-138.4-123.5 102.5 49.2 27.3 -1.3 128 505 A P E >> -A 41 0A 24 0, 0.0 3,-2.3 0, 0.0 4,-0.9 -0.265 21.7-115.1 -60.7 149.7 52.1 28.1 1.0 129 506 A L H >> S+ 0 0 61 -89,-2.7 3,-0.9 1,-0.3 4,-0.6 0.877 115.8 61.7 -50.3 -43.3 51.8 31.4 3.0 130 507 A E H 34 S+ 0 0 138 -90,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.623 112.9 36.9 -61.7 -14.3 54.7 32.8 1.1 131 508 A Q H <> S+ 0 0 93 -3,-2.3 4,-2.4 2,-0.1 -1,-0.2 0.459 87.8 95.1-116.4 -4.8 52.8 32.5 -2.2 132 509 A X H S+ 0 0 0 -3,-0.9 5,-3.1 -4,-0.9 4,-0.7 0.878 85.5 50.2 -56.7 -40.9 49.2 33.3 -1.1 133 510 A D H ><5S+ 0 0 95 -4,-0.6 3,-1.1 4,-0.3 5,-0.4 0.953 113.5 44.2 -63.6 -49.2 49.5 37.0 -2.1 134 511 A A H 345S+ 0 0 94 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.867 111.3 55.9 -63.3 -34.4 50.7 36.2 -5.6 135 512 A A H 3<5S- 0 0 38 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.597 121.5-105.6 -74.8 -11.2 48.1 33.4 -5.9 136 513 A G T <<5S+ 0 0 61 -3,-1.1 -3,-0.2 -4,-0.7 3,-0.2 0.596 96.0 103.0 97.5 13.0 45.3 35.8 -5.2 137 514 A Y > < + 0 0 28 -5,-3.1 3,-2.6 -6,-0.2 4,-0.3 0.074 32.9 125.0-113.7 21.9 44.5 34.7 -1.6 138 515 A G G > + 0 0 18 -6,-0.5 3,-1.5 -5,-0.4 4,-0.3 0.830 68.0 63.1 -50.4 -36.7 46.2 37.6 0.2 139 516 A A G 3 S+ 0 0 104 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.617 98.6 57.6 -65.9 -11.9 42.9 38.4 2.1 140 517 A L G X S+ 0 0 42 -3,-2.6 3,-2.9 1,-0.2 4,-0.3 0.480 71.2 97.8 -98.6 -2.8 43.1 34.9 3.7 141 518 A K G X S+ 0 0 83 -3,-1.5 3,-1.4 -4,-0.3 -1,-0.2 0.808 75.7 67.9 -54.5 -27.6 46.5 35.2 5.4 142 519 A G G 3 S+ 0 0 67 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.656 92.2 61.4 -67.3 -12.6 44.6 36.1 8.5 143 520 A E G < 0 0 82 -3,-2.9 -87,-0.3 -87,-0.0 -1,-0.2 0.533 360.0 360.0 -91.5 -8.3 43.2 32.6 8.6 144 521 A V < 0 0 57 -3,-1.4 -102,-0.1 -4,-0.3 -90,-0.0 -0.291 360.0 360.0 -87.9 360.0 46.6 30.8 9.0 145 !* 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 0.0 146 375 B A 0 0 151 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 147.4 67.8 -3.6 42.5 147 376 B A - 0 0 77 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.481 360.0-135.8 -68.8 141.6 64.8 -2.7 40.2 148 377 B T S S+ 0 0 119 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.879 85.9 41.7 -68.0 -36.1 65.0 0.9 39.2 149 378 B Y + 0 0 67 -3,-0.0 2,-0.3 2,-0.0 48,-0.1 -0.895 64.6 167.7-119.5 145.1 61.2 1.4 39.8 150 379 B K - 0 0 159 -2,-0.4 95,-0.2 46,-0.3 48,-0.1 -0.960 35.5-108.4-146.8 162.5 58.9 0.3 42.6 151 380 B K - 0 0 76 93,-0.4 45,-0.1 -2,-0.3 3,-0.1 -0.828 35.1-127.6 -96.8 124.4 55.5 0.9 44.1 152 381 B P - 0 0 32 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.231 44.9 -77.7 -63.2 161.3 55.3 2.8 47.4 153 382 B S > - 0 0 69 1,-0.1 4,-2.3 3,-0.1 3,-0.4 -0.259 39.4-117.8 -59.3 148.8 53.3 1.1 50.2 154 383 B D H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.882 116.9 56.1 -55.9 -38.8 49.6 1.5 49.8 155 384 B A H > S+ 0 0 50 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.881 108.4 46.8 -62.1 -37.8 49.6 3.4 53.1 156 385 B E H >> S+ 0 0 101 -3,-0.4 3,-0.9 1,-0.2 4,-0.9 0.879 108.8 54.5 -71.4 -38.4 52.1 5.9 51.7 157 386 B L H >X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.3 3,-0.5 0.858 100.2 60.6 -64.0 -34.1 50.2 6.3 48.5 158 387 B K H 3< S+ 0 0 128 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.770 112.2 40.0 -64.1 -22.8 47.1 7.3 50.5 159 388 B R H << S+ 0 0 198 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.524 123.4 37.3-102.9 -8.2 49.1 10.2 51.9 160 389 B T H << S+ 0 0 88 -4,-0.9 2,-0.2 -3,-0.5 -2,-0.2 0.733 103.6 68.5-112.4 -34.6 50.9 11.2 48.7 161 390 B L S < S- 0 0 21 -4,-2.8 2,-0.0 -5,-0.2 34,-0.0 -0.605 82.3-115.1 -89.4 149.2 48.4 10.7 45.9 162 391 B T > - 0 0 76 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.329 35.5-102.6 -72.9 165.1 45.3 12.8 45.4 163 392 B E H > S+ 0 0 136 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 125.1 48.2 -54.4 -41.1 41.9 11.1 45.8 164 393 B E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.926 111.8 46.2 -67.9 -47.4 41.7 11.2 42.0 165 394 B Q H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.921 116.0 48.0 -62.7 -41.7 45.2 9.8 41.3 166 395 B Y H X>S+ 0 0 33 -4,-3.0 4,-3.0 1,-0.2 5,-0.9 0.967 112.0 46.3 -64.0 -53.9 44.7 7.1 43.9 167 396 B Q H X5S+ 0 0 57 -4,-2.7 6,-2.2 -5,-0.2 4,-0.7 0.863 117.0 46.1 -58.9 -36.9 41.2 6.0 42.7 168 397 B V H X5S+ 0 0 1 -4,-2.2 4,-0.7 4,-0.3 -2,-0.2 0.978 122.3 31.6 -71.6 -55.3 42.4 5.9 39.1 169 398 B T H <5S+ 0 0 0 -4,-2.5 79,-2.0 -5,-0.2 -2,-0.2 0.858 131.7 31.9 -73.5 -34.5 45.7 4.0 39.6 170 399 B Q H <5S+ 0 0 35 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.1 0.842 131.5 28.4 -93.2 -36.7 44.8 1.9 42.6 171 400 B N H < - 0 0 201 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.329 58.9 -94.9 -58.2 139.8 36.0 12.3 33.1 177 406 B A T 3 S+ 0 0 44 1,-0.3 36,-0.2 2,-0.1 -1,-0.1 -0.296 106.5 6.0 -59.8 139.4 36.5 12.4 29.4 178 407 B F T 3 S+ 0 0 68 34,-3.6 -1,-0.3 -3,-0.1 35,-0.1 0.613 99.6 113.7 62.6 17.0 38.4 15.4 28.1 179 408 B S < + 0 0 65 -3,-1.8 2,-0.3 33,-0.4 -2,-0.1 0.623 52.4 80.1 -93.4 -14.8 39.0 16.5 31.8 180 409 B H S > S- 0 0 44 32,-0.3 3,-1.9 -4,-0.3 4,-0.4 -0.758 75.3-131.1-100.2 143.2 42.8 16.2 32.1 181 410 B E G > S+ 0 0 148 -2,-0.3 3,-1.3 1,-0.3 4,-0.2 0.821 105.7 63.0 -54.2 -37.2 45.4 18.7 30.8 182 411 B Y G > S+ 0 0 40 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.675 84.2 78.9 -66.1 -15.3 47.4 15.9 29.1 183 412 B D G < S+ 0 0 20 -3,-1.9 -1,-0.3 1,-0.2 32,-0.2 0.858 108.5 26.0 -61.2 -34.3 44.4 15.3 26.9 184 413 B H G < S+ 0 0 108 -3,-1.3 2,-0.5 -4,-0.4 -1,-0.2 0.178 96.3 115.4-116.0 19.3 45.4 18.3 24.8 185 414 B L < + 0 0 37 -3,-0.8 -3,-0.0 -4,-0.2 -4,-0.0 -0.761 26.4 163.4 -92.6 129.9 49.1 18.4 25.5 186 415 B F + 0 0 99 -2,-0.5 -1,-0.1 2,-0.1 -4,-0.0 -0.249 27.2 130.3-139.9 50.0 51.5 17.8 22.6 187 416 B K - 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