==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 22-MAR-13 4JSI . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 66.1 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 . 84 10.3 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 . 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 . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 4 2 0 0 2 1 1 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 . 8 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 0 209 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -21.6 20.4 27.4 41.1 2 300 A F - 0 0 132 17,-0.1 2,-0.3 18,-0.0 15,-0.2 -0.975 360.0-154.1-115.8 110.7 23.6 25.3 40.5 3 301 A L E -A 16 0A 41 13,-2.2 13,-5.6 -2,-0.5 2,-0.4 -0.652 12.0-150.3-105.9 144.5 22.5 21.8 41.6 4 302 A K E -A 15 0A 128 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.838 4.1-162.2-109.5 140.7 24.4 18.9 42.9 5 303 A V E -A 14 0A 0 9,-2.7 9,-2.5 -2,-0.4 2,-0.4 -0.989 10.2-153.7-118.9 134.4 23.6 15.2 42.5 6 304 A K E -A 13 0A 61 -2,-0.4 380,-2.0 7,-0.2 2,-0.6 -0.869 11.3-146.6-106.6 135.9 25.1 12.5 44.8 7 305 A N B > -B 385 0B 4 5,-2.6 4,-1.8 -2,-0.4 378,-0.2 -0.919 14.3-158.2 -90.3 119.4 25.7 8.9 44.0 8 306 A W T 4 S+ 0 0 81 376,-2.2 377,-0.1 -2,-0.6 -1,-0.1 0.507 87.0 48.9 -83.4 -5.6 25.2 7.2 47.4 9 307 A E T 4 S+ 0 0 35 372,-0.2 -1,-0.2 3,-0.1 376,-0.0 0.804 127.1 22.4 -95.6 -38.6 27.2 4.1 46.5 10 308 A T T 4 S- 0 0 84 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.534 92.0-133.4-103.3 -10.3 30.3 5.8 45.1 11 309 A D < + 0 0 99 -4,-1.8 -3,-0.1 1,-0.2 2,-0.0 0.348 52.2 152.2 64.7 -4.2 30.0 9.2 46.8 12 310 A V - 0 0 57 -6,-0.1 -5,-2.6 1,-0.0 2,-0.4 -0.348 29.6-158.9 -52.7 127.5 30.7 10.8 43.4 13 311 A V E -A 6 0A 74 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.956 6.6-166.7-113.6 130.8 29.0 14.3 43.4 14 312 A L E -A 5 0A 27 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.5 -0.886 15.5-134.2-115.0 150.2 28.2 16.1 40.1 15 313 A T E -A 4 0A 59 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.899 16.8-149.4-103.7 127.0 27.2 19.7 39.6 16 314 A D E +A 3 0A 0 -13,-5.6 -13,-2.2 -2,-0.5 347,-0.2 -0.869 36.5 146.5-102.1 122.1 24.2 20.4 37.3 17 315 A T > + 0 0 54 345,-2.8 3,-2.1 -2,-0.6 4,-0.4 0.532 60.6 80.4-113.6 -24.6 24.1 23.6 35.4 18 316 A L G > S+ 0 0 6 344,-2.0 3,-1.9 1,-0.3 345,-0.2 0.798 77.2 75.6 -57.8 -27.2 22.4 22.4 32.2 19 317 A H G > S+ 0 0 20 343,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.718 81.1 68.2 -59.9 -23.2 19.1 22.6 34.0 20 318 A L G < S+ 0 0 63 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.798 92.2 60.1 -67.3 -27.1 19.0 26.4 33.6 21 319 A K G < S+ 0 0 155 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.366 80.6 128.7 -78.2 7.0 18.6 25.9 29.9 22 320 A S < + 0 0 17 -3,-1.6 370,-0.2 1,-0.1 -3,-0.0 -0.421 29.3 170.8 -68.1 132.2 15.4 24.1 30.7 23 321 A T + 0 0 65 368,-1.4 -1,-0.1 -2,-0.2 369,-0.1 0.853 50.9 60.5-109.1 -56.6 12.4 25.4 28.7 24 322 A L S S- 0 0 45 367,-0.4 367,-0.5 1,-0.1 2,-0.2 -0.134 82.7-108.4 -69.3 166.1 9.3 23.1 29.2 25 323 A E - 0 0 117 365,-0.1 415,-0.2 1,-0.1 -1,-0.1 -0.498 12.9-140.8 -99.3 168.1 7.6 22.5 32.5 26 324 A T - 0 0 21 413,-2.2 413,-0.1 2,-0.3 414,-0.1 0.733 35.0-112.7-102.0 -27.2 7.6 19.3 34.6 27 325 A G S S+ 0 0 34 1,-0.5 2,-0.1 412,-0.2 412,-0.1 0.000 85.7 105.4 104.2 -26.2 4.2 18.8 36.2 28 326 A C - 0 0 4 410,-0.3 -1,-0.5 411,-0.1 -2,-0.3 -0.431 45.2-177.7 -85.9 161.8 5.7 19.4 39.7 29 327 A T - 0 0 46 3,-2.0 408,-0.4 -2,-0.1 406,-0.1 -0.841 48.6 -90.2-138.7 179.5 5.5 22.4 42.0 30 328 A E S S+ 0 0 76 -2,-0.3 405,-2.6 1,-0.2 406,-0.3 0.687 127.2 44.6 -63.3 -18.7 7.0 23.4 45.3 31 329 A H S S+ 0 0 78 1,-0.3 771,-0.4 403,-0.2 2,-0.4 0.727 119.4 27.4-100.6 -22.2 3.9 21.8 46.9 32 330 A I - 0 0 8 769,-0.1 -3,-2.0 -3,-0.1 2,-0.5 -0.969 62.3-146.0-149.5 124.6 3.5 18.5 45.0 33 331 A C B -C 800 0C 9 767,-2.7 767,-1.8 -2,-0.4 3,-0.2 -0.783 10.7-175.5 -88.4 130.7 5.9 16.2 43.2 34 332 A M > + 0 0 32 -2,-0.5 3,-2.1 765,-0.2 -1,-0.1 0.047 40.4 128.3-114.0 25.2 4.4 14.5 40.2 35 333 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.1 765,-0.1 334,-0.1 0.745 71.9 48.5 -50.5 -36.4 7.5 12.3 39.5 36 334 A S T 3 S+ 0 0 16 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.336 81.8 111.7 -91.9 8.7 5.5 9.1 39.3 37 335 A I < - 0 0 14 -3,-2.1 -3,-0.1 1,-0.1 377,-0.0 -0.705 60.5-146.9 -82.7 128.2 2.8 10.3 36.9 38 336 A M S S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.906 86.2 13.2 -56.6 -46.8 3.0 8.6 33.5 39 337 A L 0 0 91 359,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.819 360.0 360.0-138.2 90.2 1.7 11.6 31.4 40 338 A P 0 0 104 0, 0.0 -13,-0.1 0, 0.0 -12,-0.0 -0.389 360.0 360.0 -69.5 360.0 1.5 15.0 33.1 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 0 124 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 176.6 1.3 30.7 15.1 43 351 A K H > + 0 0 86 1,-0.2 4,-1.1 2,-0.1 38,-0.0 0.767 360.0 71.8 -57.9 -31.5 4.1 32.9 13.6 44 352 A D H 4 S+ 0 0 131 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.946 102.8 30.3 -52.7 -66.9 4.5 34.4 17.1 45 353 A Q H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.668 106.8 76.7 -75.2 -18.0 6.2 31.6 19.1 46 354 A L H X S+ 0 0 17 -4,-0.8 4,-3.2 1,-0.2 -1,-0.2 0.933 88.6 49.4 -67.8 -51.1 8.0 30.1 16.2 47 355 A F H X S+ 0 0 41 -4,-1.1 4,-3.2 -3,-0.3 5,-0.3 0.923 110.5 50.2 -60.2 -43.3 10.9 32.4 15.6 48 356 A P H > S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.956 114.2 46.4 -56.4 -44.6 12.0 32.4 19.3 49 357 A L H X S+ 0 0 50 -4,-1.7 4,-2.3 1,-0.2 219,-0.2 0.932 113.5 49.1 -59.1 -46.6 11.9 28.6 19.1 50 358 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.919 113.3 46.1 -57.6 -46.5 13.8 28.6 15.8 51 359 A K H X S+ 0 0 84 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.870 108.4 55.2 -67.5 -43.7 16.5 31.0 17.2 52 360 A E H X S+ 0 0 57 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.948 113.7 43.5 -50.0 -52.7 16.9 29.1 20.4 53 361 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.941 114.0 46.9 -60.2 -51.6 17.6 26.0 18.3 54 362 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.3 5,-0.3 0.842 108.8 57.4 -66.5 -32.2 19.9 27.6 15.7 55 363 A D H X S+ 0 0 29 -4,-2.5 4,-1.9 2,-0.2 -1,-0.3 0.924 109.9 43.0 -60.7 -46.9 21.8 29.2 18.4 56 364 A Q H X S+ 0 0 55 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.924 113.9 52.8 -70.1 -36.7 22.6 25.9 20.0 57 365 A Y H X S+ 0 0 21 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.942 112.2 42.6 -59.8 -51.9 23.3 24.3 16.6 58 366 A Y H <>S+ 0 0 26 -4,-3.1 5,-3.8 1,-0.2 6,-0.3 0.818 113.3 54.0 -68.0 -30.3 25.9 27.0 15.6 59 367 A S H ><5S+ 0 0 65 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.868 105.9 53.1 -64.8 -38.3 27.3 26.9 19.1 60 368 A S H 3<5S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.805 111.0 45.7 -69.9 -30.4 27.7 23.1 18.7 61 369 A I T 3<5S- 0 0 69 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.263 118.9-113.1 -93.9 12.9 29.7 23.5 15.5 62 370 A K T < 5S+ 0 0 188 -3,-1.1 -3,-0.2 -5,-0.1 -2,-0.1 0.834 88.4 111.5 60.7 38.0 31.7 26.3 17.0 63 371 A R > < + 0 0 134 -5,-3.8 3,-1.5 -6,-0.1 2,-0.4 -0.188 35.3 154.4-129.4 36.8 30.3 29.1 14.8 64 372 A F T 3 S+ 0 0 118 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.565 76.2 5.2 -67.3 124.1 28.4 31.0 17.4 65 373 A G T 3 S+ 0 0 50 -2,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.607 98.0 135.5 77.0 12.9 28.0 34.6 16.3 66 374 A S S <> S- 0 0 30 -3,-1.5 4,-2.4 1,-0.1 -1,-0.2 -0.352 71.2-106.5 -80.9 168.8 29.7 34.0 12.9 67 375 A K H > S+ 0 0 150 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.947 122.7 56.1 -63.0 -46.8 28.2 35.4 9.6 68 376 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 109.2 49.2 -47.7 -46.0 27.0 31.9 8.6 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.971 115.0 41.1 -57.0 -58.6 25.1 31.9 12.0 70 378 A M H X S+ 0 0 89 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.887 112.6 56.2 -59.3 -43.2 23.6 35.4 11.5 71 379 A D H X S+ 0 0 75 -4,-3.8 4,-3.2 1,-0.2 -1,-0.2 0.934 110.6 43.7 -52.4 -52.2 22.8 34.7 7.8 72 380 A R H X S+ 0 0 8 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.896 112.0 52.8 -62.3 -41.6 20.8 31.5 8.7 73 381 A L H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.953 114.2 43.5 -58.9 -49.9 19.0 33.3 11.5 74 382 A E H X S+ 0 0 102 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.938 113.4 51.8 -53.9 -54.5 18.1 36.0 9.1 75 383 A E H X S+ 0 0 91 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.874 112.1 44.9 -53.9 -45.9 17.2 33.5 6.4 76 384 A V H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.904 111.4 53.2 -71.2 -42.6 14.9 31.5 8.7 77 385 A N H X S+ 0 0 54 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.910 108.2 51.1 -52.7 -45.7 13.3 34.6 10.0 78 386 A K H X S+ 0 0 138 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.845 110.0 50.4 -61.9 -34.1 12.6 35.7 6.4 79 387 A E H X S+ 0 0 48 -4,-1.5 4,-3.4 2,-0.2 6,-0.6 0.842 109.1 49.2 -77.4 -34.6 10.9 32.4 5.7 80 388 A I H X S+ 0 0 5 -4,-2.1 4,-2.0 3,-0.2 -2,-0.2 0.936 111.0 49.3 -70.3 -50.1 8.6 32.4 8.8 81 389 A E H < S+ 0 0 129 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.893 124.6 33.1 -52.0 -43.5 7.4 35.9 8.1 82 390 A S H < S+ 0 0 93 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.983 135.0 21.1 -76.6 -67.3 6.8 34.8 4.5 83 391 A T H < S- 0 0 67 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.514 93.1-127.3 -86.5 -6.9 5.8 31.1 4.7 84 392 A S S < S+ 0 0 66 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.2 0.498 89.2 43.5 63.9 5.4 4.6 31.1 8.3 85 393 A T S S- 0 0 33 -6,-0.6 -2,-0.3 -9,-0.1 2,-0.3 -0.877 74.7-140.8-150.9-171.1 7.0 28.1 8.8 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.969 11.3-119.3-152.3 169.7 10.5 27.0 7.8 87 395 A Q - 0 0 96 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.912 22.9-131.3-114.6 140.7 12.7 24.1 6.7 88 396 A L - 0 0 5 -2,-0.4 2,-0.1 1,-0.0 179,-0.0 -0.713 23.3-118.7 -85.7 139.5 15.7 22.6 8.4 89 397 A K > - 0 0 97 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.411 33.4-106.9 -62.1 151.9 18.9 21.9 6.6 90 398 A D H > S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.889 122.3 53.3 -49.3 -47.3 19.9 18.3 6.6 91 399 A T H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.892 109.9 47.4 -54.8 -45.5 22.7 19.1 9.0 92 400 A E H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.823 111.4 51.3 -67.0 -32.7 20.2 20.7 11.4 93 401 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.936 110.4 47.5 -72.2 -46.2 17.8 17.9 11.1 94 402 A I H X S+ 0 0 66 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.960 115.6 46.0 -57.3 -51.6 20.4 15.2 11.9 95 403 A Y H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.888 111.8 51.6 -58.8 -44.9 21.6 17.3 14.9 96 404 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.910 111.6 46.0 -60.2 -41.5 18.0 18.0 16.1 97 405 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.906 111.1 51.0 -74.9 -39.9 17.1 14.3 16.0 98 406 A K H X S+ 0 0 53 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.917 112.0 49.4 -60.1 -42.8 20.2 13.2 17.7 99 407 A H H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.786 101.9 59.2 -70.7 -27.7 19.6 15.8 20.4 100 408 A A H < S+ 0 0 0 -4,-1.8 296,-0.5 2,-0.2 4,-0.3 0.937 111.2 44.3 -64.4 -41.0 16.0 14.8 21.0 101 409 A W H >< S+ 0 0 35 -4,-1.8 3,-2.0 2,-0.2 -2,-0.2 0.958 111.7 52.5 -60.2 -52.1 17.4 11.3 21.9 102 410 A R H 3< S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.838 112.1 47.6 -54.6 -32.5 20.2 12.9 24.0 103 411 A N T 3< S+ 0 0 9 -4,-2.2 2,-1.1 291,-0.2 289,-0.4 0.467 77.2 114.6 -89.9 -0.8 17.5 14.9 25.8 104 412 A A X - 0 0 30 -3,-2.0 3,-2.4 -4,-0.3 6,-0.1 -0.538 46.8-168.7 -78.7 101.3 15.1 11.9 26.6 105 413 A S T 3 S+ 0 0 16 -2,-1.1 262,-3.1 1,-0.3 -1,-0.2 0.623 82.0 56.5 -73.3 -11.5 15.3 11.8 30.3 106 414 A R T 3 S+ 0 0 60 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.459 85.3 99.5 -92.8 -4.4 13.5 8.5 30.5 107 415 A C X - 0 0 39 -3,-2.4 3,-0.7 -6,-0.2 264,-0.1 -0.770 47.3-172.3 -94.9 117.2 16.0 6.6 28.2 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.662 81.7 64.9 -73.8 -17.3 18.7 4.4 29.8 109 417 A G T > + 0 0 29 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.120 59.7 116.1 -97.3 23.4 20.4 3.9 26.4 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.6 1,-0.3 4,-0.2 0.620 51.6 86.6 -73.8 -7.4 21.5 7.4 25.6 111 419 A I G 3 S+ 0 0 60 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.840 94.2 51.4 -56.4 -19.9 25.3 6.5 25.7 112 420 A Q G X S+ 0 0 47 -3,-1.5 3,-2.7 1,-0.2 -1,-0.3 0.498 75.7 115.5 -92.9 -3.2 24.5 5.7 22.1 113 421 A W T < S+ 0 0 41 -3,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.634 71.0 53.0 -51.6 -31.9 22.9 9.0 21.2 114 422 A S T 3 S+ 0 0 63 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.673 95.2 70.5 -81.4 -16.2 25.4 10.2 18.6 115 423 A K < + 0 0 143 -3,-2.7 2,-0.6 -17,-0.1 34,-0.3 -0.471 67.3 134.7 -95.0 63.2 25.3 7.0 16.5 116 424 A L - 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0 0 29 -5,-1.6 2,-1.1 1,-0.1 -1,-0.2 -0.566 49.2 -96.0 -83.8 150.1 7.9 -23.9 43.3 309 617 A D + 0 0 61 -2,-0.2 3,-0.4 1,-0.2 8,-0.3 -0.528 43.9 175.3 -65.1 98.8 5.8 -23.6 46.4 310 618 A M + 0 0 55 -2,-1.1 -1,-0.2 1,-0.2 3,-0.1 0.228 54.6 96.5 -89.4 12.1 3.1 -21.2 45.2 311 619 A R S S+ 0 0 217 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.953 89.3 24.5 -68.3 -48.2 1.3 -21.5 48.5 312 620 A K > - 0 0 90 -3,-0.4 3,-1.6 1,-0.1 5,-0.4 -0.920 69.4-133.4-125.0 142.4 2.7 -18.3 50.1 313 621 A T G > S+ 0 0 53 -2,-0.4 3,-2.3 1,-0.3 5,-0.2 0.817 100.9 72.5 -61.1 -26.6 4.2 -15.2 48.6 314 622 A S G 3 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 428,-0.1 0.462 78.1 71.1 -77.8 -3.2 7.1 -15.4 51.0 315 623 A S G < S- 0 0 20 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 0.568 102.9-135.1 -75.9 -9.9 8.6 -18.4 49.2 316 624 A L <> + 0 0 0 -3,-2.3 4,-2.4 -4,-0.2 3,-0.2 0.806 50.2 155.0 58.3 35.1 9.3 -15.6 46.6 317 625 A W H > S+ 0 0 20 -5,-0.4 4,-2.8 -8,-0.3 5,-0.2 0.881 70.2 53.3 -60.4 -37.6 8.1 -18.0 43.8 318 626 A K H > S+ 0 0 59 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 108.0 48.8 -59.8 -44.0 7.2 -15.0 41.6 319 627 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.928 113.0 48.5 -68.0 -43.0 10.7 -13.5 42.0 320 628 A Q H X S+ 0 0 28 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 113.0 45.4 -60.4 -51.7 12.3 -16.8 41.1 321 629 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.862 110.7 57.2 -57.9 -38.6 10.1 -17.4 38.0 322 630 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.918 106.7 46.8 -61.1 -44.3 10.8 -13.7 37.0 323 631 A V H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.906 111.4 51.4 -65.3 -40.4 14.5 -14.2 37.0 324 632 A E H X S+ 0 0 13 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.908 108.1 51.7 -66.9 -39.3 14.3 -17.4 35.0 325 633 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.904 111.8 48.0 -60.5 -41.5 12.1 -15.8 32.4 326 634 A N H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.858 108.2 52.7 -73.9 -31.2 14.6 -13.0 32.1 327 635 A I H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.911 109.1 52.6 -62.8 -40.7 17.6 -15.4 31.8 328 636 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -89,-0.4 0.906 107.1 51.0 -64.7 -42.1 15.7 -17.1 29.0 329 637 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.964 113.2 44.0 -58.5 -53.3 15.1 -13.9 27.0 330 638 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.932 115.6 50.1 -61.3 -41.0 18.8 -12.9 27.2 331 639 A Y H X S+ 0 0 89 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.906 109.5 48.9 -64.2 -45.6 19.8 -16.4 26.3 332 640 A S H X S+ 0 0 0 -4,-3.0 4,-1.3 -93,-0.3 -1,-0.2 0.898 114.2 45.5 -62.3 -43.0 17.5 -16.8 23.3 333 641 A F H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.4 0.926 114.3 47.5 -68.8 -46.9 18.6 -13.4 21.8 334 642 A Q H ><5S+ 0 0 80 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.922 109.1 55.7 -60.8 -40.4 22.3 -14.1 22.3 335 643 A S H 3<5S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 112.9 40.7 -62.6 -31.6 21.9 -17.6 20.9 336 644 A D T 3<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.376 113.7-117.8 -96.3 4.6 20.4 -16.2 17.7 337 645 A K T < 5 + 0 0 158 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.901 63.0 146.7 55.7 43.1 22.9 -13.2 17.6 338 646 A V < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.1 -192,-0.2 -0.959 57.1-108.1-102.4 123.8 20.3 -10.6 17.8 339 647 A T + 0 0 42 -194,-2.5 -59,-0.5 -2,-0.6 2,-0.3 -0.226 52.0 156.1 -50.2 135.8 21.7 -7.7 19.8 340 648 A I - 0 0 21 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.956 27.4-146.9-156.2 149.9 20.3 -7.3 23.3 341 649 A V B -o 281 0J 30 -61,-2.4 -59,-3.1 -2,-0.3 2,-0.2 -0.974 14.8-131.7-121.8 140.1 21.6 -5.7 26.5 342 650 A D > - 0 0 12 -2,-0.4 4,-3.3 -61,-0.2 5,-0.2 -0.577 26.9-111.9 -82.9 160.2 21.1 -6.8 30.0 343 651 A H H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.789 115.7 56.3 -60.4 -30.3 20.0 -4.3 32.8 344 652 A H H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.992 115.0 36.7 -64.7 -52.8 23.3 -4.6 34.6 345 653 A S H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.893 116.7 53.1 -68.9 -40.7 25.3 -3.7 31.5 346 654 A A H X S+ 0 0 9 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.931 112.4 43.5 -60.1 -46.7 22.7 -1.1 30.3 347 655 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.876 110.7 53.7 -74.7 -37.3 22.6 0.8 33.6 348 656 A E H X S+ 0 0 130 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.926 109.3 51.6 -56.1 -43.9 26.4 0.7 34.1 349 657 A S H X S+ 0 0 42 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 106.8 52.1 -57.7 -44.5 26.6 2.3 30.6 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.844 106.3 54.4 -63.9 -32.3 24.2 5.1 31.6 351 659 A I H X S+ 0 0 16 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.956 110.1 45.9 -68.4 -47.1 26.3 5.9 34.7 352 660 A K H X S+ 0 0 121 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 116.0 47.4 -52.6 -48.4 29.4 6.4 32.5 353 661 A H H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.902 108.2 53.9 -62.8 -42.5 27.2 8.4 30.1 354 662 A M H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.971 110.0 48.8 -55.8 -51.4 25.8 10.5 32.9 355 663 A E H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.875 109.8 50.6 -56.1 -40.6 29.3 11.3 33.9 356 664 A N H X S+ 0 0 45 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.919 112.1 48.5 -62.9 -42.0 30.4 12.2 30.4 357 665 A E H X>S+ 0 0 8 -4,-2.5 6,-2.1 2,-0.2 4,-1.9 0.794 108.9 52.3 -70.1 -33.9 27.4 14.6 30.1 358 666 A Y H X5S+ 0 0 14 -4,-2.2 4,-1.0 4,-0.3 -2,-0.2 0.961 117.6 38.1 -65.4 -48.8 28.0 16.2 33.4 359 667 A R H <5S+ 0 0 186 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.775 127.4 34.5 -75.9 -20.3 31.6 17.0 32.5 360 668 A C H <5S+ 0 0 81 -4,-2.1 -3,-0.2 -5,-0.2 -1,-0.2 0.687 135.2 16.5-104.9 -19.1 30.9 17.8 28.8 361 669 A R H <5S- 0 0 46 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.514 102.4-106.3-131.9 -14.3 27.5 19.5 28.8 362 670 A G S <> - 0 0 9 -262,-3.1 4,-2.4 -2,-0.4 3,-1.0 -0.865 11.0-164.0-109.0 100.3 14.0 10.3 35.3 368 676 A W H 3> S+ 0 0 19 -2,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.877 84.4 63.1 -55.2 -42.3 14.9 7.9 38.0 369 677 A V H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.875 116.7 29.8 -52.8 -41.1 11.4 6.3 38.0 370 678 A W H <4 S+ 0 0 99 -3,-1.0 -1,-0.2 -265,-0.1 -2,-0.2 0.746 115.2 59.9 -90.3 -27.2 12.0 5.1 34.4 371 679 A I H < S+ 0 0 1 -4,-2.4 -2,-0.2 -266,-0.1 -3,-0.2 0.960 88.1 79.4 -67.9 -47.9 15.9 4.7 34.5 372 680 A V S < S- 0 0 15 -4,-2.2 5,-0.1 -5,-0.2 6,-0.1 -0.413 93.9-113.4 -65.0 123.6 15.9 2.1 37.3 373 681 A P - 0 0 6 0, 0.0 4,-0.2 0, 0.0 415,-0.2 -0.130 19.0-114.7 -61.9 158.1 15.1 -1.3 35.8 374 682 A P S S+ 0 0 14 0, 0.0 415,-3.2 0, 0.0 416,-0.3 0.386 99.2 43.0 -80.1 1.8 11.8 -3.0 36.8 375 683 A M S S+ 0 0 1 413,-0.2 411,-0.1 412,-0.2 -92,-0.1 -0.969 117.4 10.5-139.0 151.7 13.7 -5.9 38.5 376 684 A S S > S+ 0 0 6 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 0.725 73.1 170.1 55.8 29.9 16.7 -6.0 40.8 377 685 A G G > + 0 0 6 1,-0.3 3,-1.5 -4,-0.2 6,-0.5 0.808 66.1 45.1 -33.5 -61.6 16.6 -2.2 41.2 378 686 A S G 3 S+ 0 0 0 407,-2.1 -1,-0.3 1,-0.3 408,-0.1 0.470 103.2 63.0 -80.3 -1.5 19.1 -1.7 44.0 379 687 A I G < S+ 0 0 15 -3,-2.0 -1,-0.3 406,-0.3 -2,-0.2 0.378 92.3 76.0 -97.4 5.0 21.8 -4.0 42.6 380 688 A T S X S- 0 0 1 -3,-1.5 3,-1.0 -4,-0.4 4,-0.4 -0.835 89.8-123.7-106.6 148.7 22.2 -1.8 39.5 381 689 A P G >> S+ 0 0 44 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.755 102.6 71.4 -70.7 -23.7 24.1 1.5 40.0 382 690 A V G >4 S+ 0 0 0 1,-0.2 3,-0.7 2,-0.2 -10,-0.2 0.815 88.5 66.5 -58.6 -26.7 21.3 3.8 38.7 383 691 A F G <4 S+ 0 0 31 -3,-1.0 -1,-0.2 -6,-0.5 -5,-0.1 0.884 103.7 42.4 -62.5 -40.0 19.4 3.0 41.9 384 692 A H G <4 S+ 0 0 13 -3,-0.8 -376,-2.2 -4,-0.4 2,-0.6 0.581 97.3 100.5 -82.9 -9.1 21.9 4.7 44.1 385 693 A Q B << -B 7 0B 3 -4,-0.7 -378,-0.2 -3,-0.7 2,-0.1 -0.676 67.0-140.1 -89.1 117.5 22.3 7.7 41.7 386 694 A E - 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