==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUN-02 1LZZ . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,H.SHIMIZU,M.FLINSPACH,J.JAMAL,W.YANG,M.XIAN,T.CAI,E.Z.W . 817 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 1 0.1 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 . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 4 2 0 2 1 1 0 0 0 1 1 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 10 6 10 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 ANTIPARALLEL BRIDGES PER LADDER . 7 4 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 1 299 A R 0 0 212 0, 0.0 2,-0.8 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -26.3 21.2 27.6 40.7 2 300 A F - 0 0 123 17,-0.1 15,-0.2 18,-0.0 2,-0.0 -0.792 360.0-160.3-110.4 87.7 23.9 25.0 40.4 3 301 A L E -A 16 0A 46 13,-0.9 13,-3.9 -2,-0.8 2,-0.4 -0.300 4.1-140.9 -68.6 147.4 22.3 21.8 41.5 4 302 A K E -A 15 0A 122 11,-0.3 2,-0.5 13,-0.0 11,-0.2 -0.882 7.5-158.1-115.0 145.1 24.4 18.8 42.6 5 303 A V E -A 14 0A 0 9,-3.5 9,-3.0 -2,-0.4 2,-0.4 -0.979 11.3-162.0-123.4 125.2 23.8 15.1 42.0 6 304 A K E -A 13 0A 53 -2,-0.5 380,-2.1 7,-0.2 2,-0.6 -0.849 15.7-146.9-113.3 143.1 25.3 12.4 44.2 7 305 A N B > -B 385 0B 5 5,-2.3 4,-1.4 -2,-0.4 378,-0.2 -0.930 11.9-158.9-102.1 117.4 25.9 8.7 43.6 8 306 A W T 4 S+ 0 0 91 376,-2.4 377,-0.1 -2,-0.6 -1,-0.1 0.477 87.7 54.5 -78.5 -0.7 25.5 7.0 47.0 9 307 A E T 4 S+ 0 0 40 375,-0.4 -1,-0.2 372,-0.1 376,-0.1 0.774 124.9 20.9 -97.3 -34.5 27.4 3.9 46.1 10 308 A T T 4 S- 0 0 69 374,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.328 92.9-130.2-116.3 4.0 30.6 5.8 45.0 11 309 A D < + 0 0 113 -4,-1.4 2,-0.2 1,-0.2 -3,-0.1 0.444 55.7 150.3 60.3 -1.4 30.2 9.1 46.8 12 310 A V - 0 0 57 -5,-0.2 -5,-2.3 -6,-0.1 2,-0.4 -0.425 30.2-160.2 -64.9 130.2 30.9 10.8 43.4 13 311 A V E -A 6 0A 74 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.951 6.1-168.4-116.6 133.4 29.1 14.2 43.2 14 312 A L E -A 5 0A 32 -9,-3.0 -9,-3.5 -2,-0.4 2,-0.5 -0.917 16.5-133.2-119.6 146.4 28.4 16.0 39.9 15 313 A T E -A 4 0A 62 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.3 -0.863 16.9-151.1-102.9 131.5 27.2 19.5 39.4 16 314 A D E +A 3 0A 0 -13,-3.9 -13,-0.9 -2,-0.5 347,-0.2 -0.887 35.4 146.8-108.7 123.8 24.4 20.2 37.0 17 315 A T > + 0 0 48 345,-2.7 3,-2.1 -2,-0.5 346,-0.2 0.518 59.8 84.2-121.6 -20.0 24.0 23.5 35.1 18 316 A L G > S+ 0 0 6 344,-1.9 3,-2.3 1,-0.3 345,-0.1 0.849 80.3 67.4 -54.3 -36.6 22.5 22.2 31.9 19 317 A H G > S+ 0 0 22 343,-0.3 3,-2.2 1,-0.3 -1,-0.3 0.748 83.0 74.9 -57.6 -23.8 19.1 22.3 33.6 20 318 A L G < S+ 0 0 59 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.528 92.3 54.9 -67.8 -4.5 19.4 26.1 33.6 21 319 A K G < S+ 0 0 149 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.300 81.6 123.1-108.4 5.3 18.7 26.0 29.8 22 320 A S < + 0 0 21 -3,-2.2 370,-0.2 1,-0.1 3,-0.1 -0.308 29.7 170.2 -64.4 150.7 15.4 24.1 30.4 23 321 A T + 0 0 68 368,-1.2 -1,-0.1 2,-0.1 2,-0.1 0.573 49.3 76.1-134.1 -31.2 12.3 25.7 28.9 24 322 A L S S- 0 0 42 367,-0.9 367,-0.5 416,-0.1 2,-0.1 -0.471 82.0-103.5 -86.6 159.0 9.5 23.2 29.1 25 323 A E - 0 0 118 -2,-0.1 415,-0.2 1,-0.1 414,-0.1 -0.462 14.9-150.5 -81.7 153.7 7.5 22.3 32.3 26 324 A T - 0 0 19 413,-1.9 414,-0.1 2,-0.3 3,-0.1 0.586 38.2-115.0 -98.5 -15.5 8.0 19.0 34.2 27 325 A G S S+ 0 0 29 1,-0.4 2,-0.1 412,-0.4 412,-0.1 0.150 85.4 101.0 99.7 -19.9 4.5 18.5 35.7 28 326 A C - 0 0 2 410,-0.3 -1,-0.4 5,-0.1 -2,-0.3 -0.454 50.4-168.5 -93.9 168.8 5.9 19.0 39.2 29 327 A T B > -C 32 0C 40 3,-3.0 3,-0.7 -2,-0.1 408,-0.4 -0.859 44.4 -91.0-144.8 175.9 5.7 22.1 41.5 30 328 A E T 3 S+ 0 0 77 -2,-0.3 405,-2.0 1,-0.2 406,-0.3 0.724 128.5 44.1 -66.3 -18.6 7.3 23.2 44.8 31 329 A H T 3 S+ 0 0 83 1,-0.2 2,-0.3 403,-0.2 771,-0.2 0.518 120.8 28.6-103.5 -8.1 4.3 21.6 46.5 32 330 A I B < -C 29 0C 10 -3,-0.7 -3,-3.0 769,-0.1 2,-0.5 -0.961 59.1-149.0-158.1 137.4 4.0 18.3 44.6 33 331 A C B +D 800 0D 10 767,-2.8 767,-1.9 -2,-0.3 3,-0.2 -0.916 10.3 179.9-107.3 126.7 6.2 15.9 42.7 34 332 A M > + 0 0 24 -2,-0.5 3,-1.9 765,-0.2 -1,-0.1 -0.129 37.7 132.6-113.5 34.0 4.7 14.0 39.8 35 333 A G T 3 S+ 0 0 18 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.697 73.3 47.9 -58.6 -21.4 7.9 12.2 39.0 36 334 A S T 3 S+ 0 0 17 762,-0.5 2,-0.5 -3,-0.2 -1,-0.3 0.357 82.5 113.7-103.2 5.8 6.0 8.8 38.8 37 335 A I < - 0 0 11 -3,-1.9 -3,-0.1 1,-0.1 377,-0.0 -0.658 60.9-145.3 -81.2 127.3 3.2 10.0 36.5 38 336 A M S S+ 0 0 54 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.871 91.4 16.3 -57.7 -42.0 3.3 8.3 33.1 39 337 A L 0 0 86 -3,-0.0 -1,-0.3 -12,-0.0 -12,-0.0 -0.698 360.0 360.0-136.1 82.4 2.1 11.4 31.2 40 338 A P 0 0 94 0, 0.0 -13,-0.1 0, 0.0 -12,-0.0 0.019 360.0 360.0 -65.9 360.0 2.2 14.6 33.2 41 ! 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 42 350 A T > 0 0 105 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 134.4 1.9 31.0 15.5 43 351 A K H > + 0 0 82 1,-0.2 4,-2.0 2,-0.2 38,-0.1 0.859 360.0 56.0 -58.8 -36.9 4.7 32.8 13.7 44 352 A D H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 37,-0.0 0.830 110.8 43.1 -65.2 -34.4 5.4 34.7 16.9 45 353 A Q H > S+ 0 0 121 -3,-0.5 4,-1.0 2,-0.1 -2,-0.2 0.853 112.2 56.8 -78.6 -36.6 5.9 31.4 18.8 46 354 A L H X S+ 0 0 18 -4,-2.4 4,-2.9 1,-0.2 3,-0.5 0.938 97.8 52.9 -64.0 -55.9 7.9 29.9 16.0 47 355 A F H X S+ 0 0 43 -4,-2.0 4,-3.8 1,-0.2 5,-0.2 0.914 106.2 53.0 -53.3 -48.5 10.9 32.2 15.4 48 356 A P H > S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.905 113.5 45.8 -54.3 -37.4 12.0 32.3 19.1 49 357 A L H X S+ 0 0 64 -4,-1.0 4,-2.3 -3,-0.5 -2,-0.2 0.939 112.7 49.3 -67.8 -46.9 12.0 28.5 19.0 50 358 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.911 112.1 50.5 -57.9 -42.2 13.8 28.5 15.6 51 359 A K H X S+ 0 0 82 -4,-3.8 4,-2.5 -5,-0.2 -2,-0.2 0.922 106.9 52.1 -62.8 -47.2 16.3 31.0 17.1 52 360 A E H X S+ 0 0 62 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.931 114.1 45.0 -54.8 -47.6 17.0 28.9 20.2 53 361 A F H X S+ 0 0 3 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.959 112.2 48.4 -62.3 -55.8 17.8 25.9 18.1 54 362 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.868 109.1 55.5 -55.5 -38.4 19.9 27.6 15.5 55 363 A D H X S+ 0 0 31 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.947 111.9 41.8 -60.6 -48.4 22.0 29.3 18.3 56 364 A Q H X S+ 0 0 46 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.859 113.6 54.3 -69.1 -32.8 22.8 25.9 19.8 57 365 A Y H X S+ 0 0 26 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.976 112.2 41.2 -64.4 -54.2 23.4 24.4 16.4 58 366 A Y H <>S+ 0 0 27 -4,-3.0 5,-3.1 1,-0.2 6,-0.4 0.825 112.5 56.8 -64.0 -28.0 25.9 26.9 15.4 59 367 A S H ><5S+ 0 0 67 -4,-1.8 3,-1.6 -5,-0.3 -1,-0.2 0.920 104.5 52.3 -67.0 -40.4 27.4 26.8 18.9 60 368 A S H 3<5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.806 110.4 47.7 -64.8 -30.5 27.9 23.1 18.4 61 369 A I T 3<5S- 0 0 66 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.181 116.0-114.2 -96.2 17.6 29.8 23.7 15.2 62 370 A K T < 5S+ 0 0 191 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.798 90.4 109.0 56.7 32.4 31.9 26.4 16.7 63 371 A R > < + 0 0 143 -5,-3.1 3,-1.4 -6,-0.1 6,-0.4 -0.046 39.1 153.4-125.0 29.9 30.4 29.1 14.5 64 372 A F T 3 S+ 0 0 128 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.415 73.5 5.7 -64.2 128.6 28.4 30.9 17.2 65 373 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.843 99.4 135.6 67.5 33.3 27.8 34.5 16.2 66 374 A S S <> S- 0 0 28 -3,-1.4 4,-2.8 1,-0.1 -1,-0.2 -0.503 71.8-104.3-102.4 175.9 29.4 34.1 12.8 67 375 A K H > S+ 0 0 151 2,-0.2 4,-4.5 1,-0.2 5,-0.3 0.946 123.8 53.7 -66.7 -46.0 28.0 35.5 9.5 68 376 A A H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 111.3 47.5 -51.9 -44.9 26.9 32.0 8.5 69 377 A H H > S+ 0 0 3 -6,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.974 116.5 41.5 -60.1 -56.9 25.0 31.9 11.8 70 378 A M H X S+ 0 0 84 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.908 114.5 52.8 -57.9 -46.2 23.5 35.4 11.4 71 379 A D H X S+ 0 0 76 -4,-4.5 4,-2.4 1,-0.2 3,-0.3 0.969 112.3 43.5 -54.5 -58.5 22.7 34.7 7.7 72 380 A R H X S+ 0 0 7 -4,-2.7 4,-2.6 -5,-0.3 5,-0.3 0.908 110.5 56.9 -54.1 -45.9 20.9 31.5 8.4 73 381 A L H X S+ 0 0 23 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.902 111.8 41.9 -53.8 -44.5 19.1 33.1 11.4 74 382 A E H X S+ 0 0 97 -4,-2.3 4,-3.2 -3,-0.3 -1,-0.2 0.842 111.0 55.5 -73.2 -35.4 17.7 35.8 9.1 75 383 A E H X S+ 0 0 90 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.912 112.8 42.0 -63.4 -43.5 16.9 33.5 6.2 76 384 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.918 113.0 55.7 -67.7 -43.2 14.7 31.4 8.5 77 385 A N H X S+ 0 0 51 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.946 111.7 41.8 -52.8 -54.0 13.4 34.5 10.0 78 386 A K H X S+ 0 0 130 -4,-3.2 4,-2.0 1,-0.2 5,-0.2 0.904 112.5 54.9 -61.9 -41.9 12.2 35.8 6.6 79 387 A E H X S+ 0 0 50 -4,-2.4 4,-4.0 -5,-0.2 6,-0.6 0.900 109.3 47.3 -59.2 -42.8 11.0 32.4 5.6 80 388 A I H X S+ 0 0 4 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.957 111.1 50.1 -63.2 -51.6 8.8 32.2 8.7 81 389 A E H < S+ 0 0 117 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.818 123.1 34.0 -56.1 -32.3 7.4 35.7 8.2 82 390 A S H < S+ 0 0 102 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.833 134.1 23.7 -93.4 -38.7 6.6 34.8 4.6 83 391 A T H < S- 0 0 65 -4,-4.0 -3,-0.2 2,-0.4 -2,-0.2 0.473 94.8-124.6-107.6 -6.0 5.7 31.1 4.8 84 392 A S S < S+ 0 0 69 -4,-3.3 2,-0.3 -5,-0.4 -4,-0.2 0.688 89.2 28.9 67.8 18.9 4.6 30.9 8.5 85 393 A T S S- 0 0 36 -6,-0.6 -2,-0.4 -9,-0.1 2,-0.3 -0.944 74.0-137.2-177.3-169.6 7.2 28.1 8.9 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.971 13.8-111.8-161.6 174.8 10.5 26.8 7.6 87 395 A Q - 0 0 94 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.952 28.0-127.8-120.4 137.8 12.6 23.9 6.5 88 396 A L - 0 0 6 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.588 24.3-116.7 -83.6 142.7 15.7 22.5 8.2 89 397 A K >> - 0 0 98 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.470 35.1-107.8 -70.8 151.5 18.9 22.0 6.3 90 398 A D H 3> S+ 0 0 103 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.890 122.1 55.1 -49.2 -42.4 19.8 18.4 6.3 91 399 A T H 3> S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.903 109.0 46.4 -57.8 -43.2 22.6 19.1 8.8 92 400 A E H <> S+ 0 0 1 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.873 110.7 53.4 -66.7 -39.1 20.1 20.7 11.2 93 401 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 112.2 43.6 -61.3 -47.2 17.7 17.8 10.8 94 402 A I H X S+ 0 0 67 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.924 115.2 49.0 -65.4 -45.2 20.4 15.3 11.6 95 403 A Y H X S+ 0 0 32 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.908 112.5 49.3 -60.8 -42.8 21.7 17.4 14.5 96 404 A G H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.915 110.9 47.3 -64.5 -45.8 18.2 17.8 15.8 97 405 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.931 112.2 50.3 -63.5 -45.3 17.3 14.1 15.7 98 406 A K H X S+ 0 0 58 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.887 113.7 46.0 -61.0 -37.5 20.5 13.1 17.4 99 407 A H H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.800 103.7 60.0 -77.5 -27.5 19.9 15.6 20.1 100 408 A A H < S+ 0 0 0 -4,-2.2 296,-0.4 2,-0.2 4,-0.4 0.930 111.4 43.0 -62.9 -41.2 16.2 14.7 20.7 101 409 A W H >< S+ 0 0 35 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.951 111.2 54.9 -66.0 -47.4 17.6 11.2 21.5 102 410 A R H 3< S+ 0 0 34 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.840 111.5 45.4 -54.0 -34.9 20.4 12.9 23.6 103 411 A N T 3< S+ 0 0 7 -4,-2.4 2,-1.4 291,-0.2 289,-0.4 0.433 78.6 116.8 -90.2 -1.2 17.7 14.7 25.5 104 412 A A X - 0 0 26 -3,-1.8 3,-2.0 -4,-0.4 6,-0.1 -0.538 45.6-169.9 -72.5 95.1 15.3 11.7 26.1 105 413 A S T 3 S+ 0 0 21 -2,-1.4 262,-2.9 1,-0.3 -1,-0.2 0.675 80.5 58.1 -61.0 -19.0 15.5 11.5 29.9 106 414 A R T 3 S+ 0 0 51 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.448 85.8 95.0 -93.0 2.3 13.7 8.2 29.9 107 415 A C X - 0 0 38 -3,-2.0 3,-0.7 -6,-0.2 264,-0.1 -0.839 48.9-172.3-102.1 120.3 16.3 6.4 27.7 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.646 80.7 65.5 -79.5 -16.8 19.0 4.4 29.4 109 417 A G T > + 0 0 28 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 0.050 59.5 118.3 -98.0 30.3 20.9 3.8 26.1 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.5 1,-0.3 4,-0.2 0.553 51.2 85.8 -73.3 -5.9 21.9 7.3 25.3 111 419 A I G 3 S+ 0 0 43 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.790 92.2 53.7 -62.5 -21.2 25.6 6.6 25.3 112 420 A Q G X S+ 0 0 53 -3,-1.4 3,-1.9 1,-0.2 -1,-0.3 0.360 77.9 114.4 -89.7 2.9 24.9 5.6 21.7 113 421 A W T < + 0 0 42 -3,-2.5 -1,-0.2 1,-0.3 -11,-0.2 0.773 69.5 51.3 -48.1 -41.0 23.2 8.9 21.0 114 422 A S T 3 S+ 0 0 52 -3,-0.3 2,-1.0 -4,-0.2 -1,-0.3 0.625 96.5 74.1 -77.2 -10.0 25.7 10.3 18.4 115 423 A K < + 0 0 120 -3,-1.9 2,-0.4 -17,-0.1 34,-0.3 -0.686 66.2 134.5-104.4 77.8 25.6 7.1 16.3 116 424 A L - 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0 0 1 -12,-0.5 -121,-0.2 -2,-0.5 -13,-0.1 -0.335 32.7-167.2-148.6 57.1 9.2 9.8 13.1 275 583 A P - 0 0 0 0, 0.0 -123,-2.2 0, 0.0 2,-0.3 -0.201 12.8-176.5 -52.3 135.1 9.6 6.1 13.9 276 584 A F E -FH 151 259E 49 -17,-2.3 -17,-0.5 -125,-0.2 2,-0.3 -0.942 6.5-172.7-134.1 156.7 13.0 5.3 15.5 277 585 A S E +FH 150 258E 9 -127,-2.5 -127,-1.9 -2,-0.3 -19,-0.2 -0.985 16.8 156.5-149.6 156.6 14.7 2.1 16.6 278 586 A G - 0 0 18 -21,-1.3 2,-0.3 -2,-0.3 -130,-0.2 -0.174 51.9 -68.7-142.1-121.8 17.8 0.8 18.5 279 587 A W - 0 0 71 -23,-0.1 61,-0.1 -2,-0.1 -23,-0.1 -0.993 49.2 -90.5-149.1 151.3 18.1 -2.6 20.2 280 588 A Y - 0 0 3 -25,-0.5 61,-2.3 59,-0.4 2,-0.5 -0.125 15.7-144.1 -63.8 152.0 16.6 -4.3 23.2 281 589 A M B >> -p 341 0K 17 59,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.966 35.7-119.5-108.7 129.2 17.7 -4.4 26.8 282 590 A G H >> S+ 0 0 1 59,-2.4 4,-2.1 -2,-0.5 3,-1.4 0.807 106.7 60.9 -38.7 -50.2 16.8 -7.9 28.0 283 591 A T H 3>>S+ 0 0 0 1,-0.3 4,-2.2 58,-0.2 5,-1.8 0.766 89.7 70.7 -54.4 -30.5 14.4 -6.8 30.8 284 592 A E H <4>S+ 0 0 78 -3,-1.9 5,-2.0 3,-0.2 -1,-0.3 0.883 115.0 24.4 -55.6 -39.3 12.1 -5.0 28.3 285 593 A I H <<>S+ 0 0 0 -3,-1.4 5,-2.2 -4,-0.5 6,-0.3 0.919 127.8 43.1 -90.1 -56.9 11.0 -8.4 27.0 286 594 A G H <5S+ 0 0 0 -4,-2.1 5,-0.2 3,-0.2 -3,-0.2 0.795 127.8 26.5 -63.0 -33.1 11.7 -10.9 29.8 287 595 A V T X5S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.3 -3,-0.2 0.900 133.0 24.2 -96.0 -56.2 10.3 -8.7 32.6 288 596 A R H ><> - 0 0 5 -4,-1.7 3,-2.4 1,-0.2 5,-1.4 -0.492 69.0-133.2 -63.8 130.5 3.5 -8.0 33.3 293 601 A N T 3 5S+ 0 0 70 1,-0.3 -1,-0.2 -2,-0.2 497,-0.0 0.871 108.0 48.6 -53.4 -36.9 0.1 -9.2 34.6 294 602 A S T 3 5S+ 0 0 45 2,-0.1 -1,-0.3 -107,-0.0 -105,-0.1 0.298 113.9 51.5 -87.8 10.1 -1.5 -7.1 31.9 295 603 A R T < 5S- 0 0 28 -3,-2.4 -5,-0.2 -107,-0.1 -6,-0.1 0.078 130.0 -37.6-115.0-131.6 0.8 -8.4 29.1 296 604 A Y T 5S- 0 0 12 -7,-2.2 -6,-0.2 -8,-0.2 -5,-0.1 0.602 72.6-161.7 -73.8 -5.8 1.6 -12.1 28.3 297 605 A N < + 0 0 60 -5,-1.4 -6,-0.2 -9,-0.2 4,-0.2 0.770 28.4 155.6 23.2 73.9 1.5 -12.6 32.0 298 606 A I > + 0 0 0 -8,-2.2 4,-2.2 1,-0.1 5,-0.3 0.340 31.6 106.2-105.9 3.7 3.4 -15.9 32.0 299 607 A L H > S+ 0 0 4 -9,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 81.0 49.1 -50.3 -54.5 4.9 -16.1 35.5 300 608 A E H > S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.927 110.7 50.7 -52.1 -51.2 2.5 -18.8 36.8 301 609 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 113.5 44.0 -51.8 -54.2 3.1 -21.1 33.8 302 610 A V H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.828 112.7 54.4 -62.1 -32.6 6.9 -20.8 34.1 303 611 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.0 -5,-0.3 3,-1.0 0.943 107.5 48.9 -66.2 -48.7 6.5 -21.3 37.8 304 612 A K H ><5S+ 0 0 139 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.925 108.9 51.6 -56.8 -50.0 4.5 -24.6 37.4 305 613 A K H 3<5S+ 0 0 99 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.628 108.8 52.4 -65.6 -12.6 7.0 -26.1 34.9 306 614 A M T <<5S- 0 0 39 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.441 109.7-127.7 -98.7 -3.8 9.8 -25.3 37.4 307 615 A D T < 5 + 0 0 152 -3,-1.9 2,-0.4 -4,-0.3 -3,-0.2 0.976 48.7 163.8 53.9 63.6 7.8 -27.1 40.1 308 616 A L < - 0 0 39 -5,-1.0 2,-1.2 3,-0.0 -1,-0.2 -0.871 49.8-102.5-112.0 145.1 8.0 -24.3 42.6 309 617 A D + 0 0 53 -2,-0.4 3,-0.3 1,-0.2 8,-0.3 -0.518 41.9 173.9 -69.2 98.7 5.9 -23.9 45.7 310 618 A M + 0 0 49 -2,-1.2 -1,-0.2 1,-0.2 3,-0.1 0.262 56.2 93.0 -89.8 11.8 3.4 -21.3 44.5 311 619 A R S S+ 0 0 223 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.961 88.6 34.9 -68.2 -51.9 1.4 -21.6 47.7 312 620 A K > - 0 0 80 -3,-0.3 3,-1.6 1,-0.1 5,-0.4 -0.894 68.2-143.6-111.6 133.8 3.1 -18.8 49.6 313 621 A T G > S+ 0 0 56 -2,-0.4 3,-1.8 1,-0.3 5,-0.2 0.794 96.2 71.2 -60.5 -28.9 4.5 -15.5 48.1 314 622 A S G 3 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.1 428,-0.1 0.527 79.8 71.3 -68.7 -7.5 7.4 -15.7 50.6 315 623 A S G < S- 0 0 24 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 0.566 100.7-136.5 -82.4 -7.0 9.1 -18.6 48.8 316 624 A L <> + 0 0 0 -3,-1.8 4,-2.3 -4,-0.2 5,-0.1 0.829 50.2 152.5 56.1 38.7 9.8 -16.0 46.1 317 625 A W H > S+ 0 0 20 -5,-0.4 4,-3.2 -8,-0.3 5,-0.3 0.924 70.6 55.1 -62.8 -43.4 8.8 -18.3 43.2 318 626 A K H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.916 109.7 48.1 -54.7 -43.1 7.8 -15.3 41.1 319 627 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 113.0 47.0 -64.6 -45.0 11.2 -13.8 41.6 320 628 A Q H X S+ 0 0 43 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.960 115.3 44.6 -62.5 -51.1 13.0 -17.1 40.8 321 629 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.933 108.8 58.6 -58.0 -46.9 10.9 -17.7 37.7 322 630 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.909 105.5 49.6 -48.9 -47.7 11.4 -14.1 36.6 323 631 A V H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.894 111.7 47.2 -61.1 -42.7 15.2 -14.5 36.6 324 632 A E H X S+ 0 0 20 -4,-1.7 4,-2.5 2,-0.2 3,-0.4 0.955 109.0 53.8 -64.2 -50.0 15.1 -17.7 34.5 325 633 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.851 113.2 44.9 -52.4 -37.2 12.7 -16.2 32.0 326 634 A N H X S+ 0 0 1 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.3 0.776 108.2 55.1 -80.6 -26.6 15.1 -13.3 31.6 327 635 A I H X S+ 0 0 15 -4,-1.7 4,-1.8 -3,-0.4 -2,-0.2 0.855 109.7 50.1 -71.0 -33.0 18.2 -15.6 31.4 328 636 A A H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -89,-0.4 0.927 106.4 52.9 -69.3 -48.5 16.4 -17.3 28.5 329 637 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.3 0.957 114.2 42.0 -52.6 -56.2 15.6 -14.2 26.6 330 638 A L H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.883 114.7 53.5 -59.8 -39.2 19.2 -13.0 26.6 331 639 A Y H X S+ 0 0 90 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.944 110.5 44.6 -61.3 -52.0 20.3 -16.5 25.9 332 640 A S H >X S+ 0 0 0 -4,-3.4 4,-2.7 -93,-0.2 3,-0.5 0.972 114.3 48.0 -58.3 -57.3 18.2 -17.0 22.8 333 641 A F H 3<>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.3 -1,-0.2 0.910 114.3 47.5 -50.1 -47.1 18.9 -13.5 21.3 334 642 A Q H ><5S+ 0 0 86 -4,-2.3 3,-0.5 -5,-0.3 -1,-0.3 0.800 110.9 52.4 -66.8 -28.3 22.7 -14.1 21.9 335 643 A S H <<5S+ 0 0 45 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.911 110.2 46.2 -73.6 -43.0 22.4 -17.6 20.4 336 644 A D T 3<5S- 0 0 60 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.330 115.9-117.6 -80.7 8.5 20.8 -16.3 17.2 337 645 A K T < 5 + 0 0 174 -3,-0.5 2,-0.5 -5,-0.2 -3,-0.2 0.884 63.2 148.9 57.6 41.9 23.4 -13.5 17.1 338 646 A V < - 0 0 6 -5,-2.9 -1,-0.2 -6,-0.2 -192,-0.2 -0.916 55.2-102.7-108.0 131.2 20.8 -10.7 17.5 339 647 A T + 0 0 36 -194,-2.8 -59,-0.4 -2,-0.5 2,-0.3 -0.236 56.4 148.9 -55.1 133.7 21.9 -7.6 19.3 340 648 A I - 0 0 23 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.954 29.9-149.7-163.5 146.5 20.7 -7.3 22.9 341 649 A V B -p 281 0K 29 -61,-2.3 -59,-2.4 -2,-0.3 -58,-0.2 -0.988 15.0-131.9-128.7 134.9 22.0 -5.8 26.1 342 650 A D > - 0 0 12 -2,-0.4 4,-2.7 -61,-0.2 5,-0.2 -0.464 29.9-109.8 -79.0 155.6 21.4 -7.0 29.7 343 651 A H H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.759 115.7 57.2 -56.0 -28.2 20.3 -4.5 32.4 344 652 A H H > S+ 0 0 15 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.966 112.7 37.6 -69.2 -51.8 23.7 -4.7 34.1 345 653 A S H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 117.1 51.9 -65.7 -44.7 25.8 -3.7 31.0 346 654 A A H X S+ 0 0 9 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.933 112.2 45.4 -58.9 -47.6 23.2 -1.1 29.9 347 655 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.898 110.0 53.4 -65.5 -40.7 23.1 0.6 33.3 348 656 A E H X S+ 0 0 132 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.907 109.9 50.8 -59.4 -40.2 26.9 0.6 33.7 349 657 A S H X S+ 0 0 39 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.897 106.6 53.3 -63.8 -41.7 27.0 2.3 30.2 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.878 106.2 52.7 -63.2 -37.8 24.5 4.9 31.3 351 659 A I H X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.932 111.3 46.7 -62.0 -45.1 26.5 5.9 34.3 352 660 A K H X S+ 0 0 125 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.929 112.8 50.2 -60.6 -45.7 29.6 6.3 32.1 353 661 A H H X S+ 0 0 4 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.899 108.0 53.2 -59.9 -43.1 27.5 8.4 29.7 354 662 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.933 108.8 48.9 -58.1 -47.7 26.2 10.5 32.5 355 663 A E H X S+ 0 0 76 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.877 111.8 49.7 -61.4 -37.4 29.7 11.3 33.6 356 664 A N H X S+ 0 0 43 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.940 112.5 47.6 -65.9 -46.1 30.6 12.2 30.1 357 665 A E H X>S+ 0 0 8 -4,-2.9 4,-2.1 1,-0.2 6,-1.6 0.858 110.9 50.9 -63.6 -38.1 27.6 14.5 29.7 358 666 A Y H X5S+ 0 0 16 -4,-2.7 4,-0.8 4,-0.3 -1,-0.2 0.935 117.2 38.2 -68.0 -43.0 28.3 16.2 33.0 359 667 A R H <5S+ 0 0 177 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.766 127.8 34.8 -79.9 -22.5 31.9 17.0 32.2 360 668 A C H <5S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.567 136.4 15.6-107.0 -10.6 31.3 17.8 28.5 361 669 A R H <5S- 0 0 50 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.463 100.9-107.3-138.1 -12.4 27.8 19.4 28.6 362 670 A G S <> - 0 0 6 -262,-2.9 4,-2.5 -2,-0.3 3,-1.8 -0.827 12.6-165.3 -99.0 96.5 14.1 10.1 34.7 368 676 A W H 3> S+ 0 0 17 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.849 86.2 62.8 -47.6 -43.2 15.2 7.7 37.5 369 677 A V H 34 S+ 0 0 21 1,-0.2 -1,-0.3 -334,-0.2 -263,-0.1 0.796 115.4 30.9 -55.2 -33.0 11.7 6.0 37.5 370 678 A W H <4 S+ 0 0 118 -3,-1.8 -1,-0.2 -265,-0.1 -2,-0.2 0.742 115.4 58.4 -96.7 -30.0 12.3 4.9 33.9 371 679 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 -266,-0.1 -3,-0.2 0.874 86.9 82.7 -70.1 -41.1 16.1 4.4 34.0 372 680 A V S < S- 0 0 15 -4,-2.3 5,-0.1 -5,-0.2 6,-0.1 -0.540 91.3-112.2 -70.0 124.4 16.2 1.9 36.8 373 681 A P - 0 0 6 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.145 19.2-115.4 -55.7 150.3 15.4 -1.6 35.4 374 682 A P S S+ 0 0 14 0, 0.0 415,-1.9 0, 0.0 416,-0.4 0.463 98.6 39.4 -66.5 -6.6 12.2 -3.5 36.2 375 683 A M S S+ 0 0 3 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.973 116.6 12.6-143.1 157.3 14.1 -6.2 38.1 376 684 A S S >> S+ 0 0 6 -2,-0.3 3,-1.9 354,-0.1 4,-0.5 0.749 73.1 170.9 49.0 30.2 17.2 -6.3 40.3 377 685 A G G >4 + 0 0 5 1,-0.3 3,-1.7 407,-0.2 6,-0.5 0.824 66.2 42.9 -34.7 -65.2 17.0 -2.5 40.7 378 686 A S G 34 S+ 0 0 2 407,-2.0 -1,-0.3 1,-0.3 408,-0.1 0.559 104.5 64.0 -69.8 -7.8 19.5 -1.9 43.5 379 687 A I G <4 S+ 0 0 11 -3,-1.9 -1,-0.3 406,-0.4 -2,-0.2 0.540 91.6 77.2 -91.8 -3.4 22.1 -4.3 42.1 380 688 A T S X< S- 0 0 0 -3,-1.7 3,-1.0 -4,-0.5 4,-0.5 -0.770 90.3-122.8 -97.3 148.4 22.5 -2.1 39.0 381 689 A P G > S+ 0 0 33 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.817 103.2 67.6 -62.1 -33.0 24.5 1.2 39.4 382 690 A V G > S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -10,-0.1 0.729 87.5 68.4 -62.3 -23.4 21.7 3.6 38.3 383 691 A F G < S+ 0 0 35 -3,-1.0 -1,-0.2 -6,-0.5 -5,-0.1 0.909 104.2 42.9 -60.4 -41.7 19.6 2.8 41.4 384 692 A H G < S+ 0 0 13 -3,-0.9 -376,-2.4 -4,-0.5 2,-0.6 0.323 97.0 98.2 -88.0 8.0 22.2 4.5 43.6 385 693 A Q B < -B 7 0B 7 -3,-1.2 -378,-0.2 -378,-0.2 2,-0.1 -0.858 68.9-139.6-104.6 113.1 22.6 7.4 41.2 386 694 A E - 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