==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 07-JAN-11 3Q99 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,T.DOUKOV,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 64.9 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 . 86 10.5 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 . 65 7.9 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 . 224 27.4 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 5 2 0 2 0 0 2 0 0 2 0 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 . 9 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 0 218 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -31.9 20.8 27.7 40.7 2 300 A F - 0 0 146 17,-0.1 2,-0.3 16,-0.0 15,-0.2 -0.874 360.0-154.5 -96.8 137.8 23.7 25.2 40.5 3 301 A L E -A 16 0A 44 13,-2.0 13,-3.6 -2,-0.4 2,-0.4 -0.878 10.1-143.7-123.4 147.7 22.8 21.7 41.7 4 302 A K E -A 15 0A 152 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.842 8.9-167.6-103.4 141.9 24.6 18.7 43.1 5 303 A V E -A 14 0A 0 9,-2.5 9,-3.3 -2,-0.4 2,-0.4 -1.000 12.8-155.8-123.2 136.9 23.8 15.0 42.5 6 304 A K E -A 13 0A 57 -2,-0.4 380,-2.3 7,-0.2 2,-0.7 -0.863 15.6-142.9-114.3 139.3 25.3 12.3 44.6 7 305 A N B > -B 385 0B 5 5,-2.6 4,-2.1 -2,-0.4 378,-0.2 -0.916 13.8-163.6 -94.1 118.6 26.0 8.7 44.0 8 306 A W T 4 S+ 0 0 81 376,-2.5 -1,-0.1 -2,-0.7 377,-0.1 0.598 86.7 52.9 -83.6 -12.7 25.3 7.0 47.3 9 307 A E T 4 S+ 0 0 40 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.869 127.5 18.2 -81.1 -42.5 27.2 3.8 46.3 10 308 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.492 92.7-129.6-109.7 -7.4 30.5 5.6 45.3 11 309 A D < + 0 0 105 -4,-2.1 2,-0.1 1,-0.2 -3,-0.1 0.339 54.8 148.8 67.7 -3.8 30.1 9.0 47.0 12 310 A V - 0 0 65 -6,-0.1 -5,-2.6 -5,-0.1 2,-0.4 -0.423 33.3-155.3 -57.5 125.9 31.0 10.8 43.8 13 311 A V E -A 6 0A 70 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.928 7.3-162.7-107.6 132.4 29.2 14.2 43.6 14 312 A L E -A 5 0A 34 -9,-3.3 -9,-2.5 -2,-0.4 2,-0.5 -0.880 12.0-133.7-118.9 148.0 28.4 15.9 40.3 15 313 A T E -A 4 0A 77 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.856 14.0-153.2-104.9 129.6 27.4 19.5 39.5 16 314 A D E +A 3 0A 0 -13,-3.6 -13,-2.0 -2,-0.5 347,-0.2 -0.889 34.2 147.2-107.3 120.6 24.6 20.4 37.2 17 315 A T > + 0 0 61 345,-2.4 3,-1.6 -2,-0.6 4,-0.3 0.508 62.3 81.2-113.0 -17.8 24.5 23.6 35.3 18 316 A L G > S+ 0 0 4 344,-1.5 3,-1.6 1,-0.3 345,-0.1 0.796 77.2 70.3 -66.5 -29.2 22.7 22.3 32.2 19 317 A H G > S+ 0 0 21 343,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.701 84.4 70.9 -61.4 -20.9 19.2 22.5 33.9 20 318 A L G < S+ 0 0 58 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.820 93.9 54.1 -67.7 -28.5 19.5 26.3 33.6 21 319 A K G < S+ 0 0 152 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.359 84.3 133.7 -78.8 3.6 19.0 26.0 29.8 22 320 A S < + 0 0 17 -3,-1.6 370,-0.2 1,-0.1 -3,-0.1 -0.355 27.8 172.0 -63.4 131.9 15.9 24.1 30.7 23 321 A T + 0 0 48 368,-1.5 -1,-0.1 -2,-0.1 369,-0.1 0.846 47.6 57.3-103.8 -71.7 13.0 25.2 28.6 24 322 A L S S- 0 0 45 367,-0.5 367,-0.4 1,-0.1 2,-0.3 0.224 83.0 -96.8 -64.4 178.6 9.8 23.1 29.0 25 323 A E - 0 0 129 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.769 15.5-151.5-110.7 148.9 7.9 22.2 32.2 26 324 A T - 0 0 19 413,-2.8 414,-0.1 -2,-0.3 413,-0.1 0.740 35.5-118.4 -88.9 -28.1 8.0 19.1 34.4 27 325 A G S S+ 0 0 32 1,-0.5 2,-0.1 412,-0.3 412,-0.1 0.069 81.2 107.9 100.8 -22.4 4.6 18.8 36.0 28 326 A C - 0 0 2 410,-0.4 -1,-0.5 5,-0.1 2,-0.3 -0.462 46.9-170.2 -83.7 157.0 6.1 19.2 39.5 29 327 A T - 0 0 47 3,-2.8 408,-0.4 -2,-0.1 3,-0.2 -0.862 44.3 -97.2-129.0 174.8 5.7 22.3 41.8 30 328 A E S S+ 0 0 66 -2,-0.3 405,-1.9 1,-0.2 406,-0.2 0.731 127.8 44.7 -60.6 -20.5 7.4 23.3 45.1 31 329 A H S S+ 0 0 83 1,-0.3 771,-0.4 403,-0.2 2,-0.4 0.740 120.5 29.3 -93.8 -27.8 4.3 21.8 46.7 32 330 A I - 0 0 10 -3,-0.2 -3,-2.8 769,-0.1 2,-0.6 -0.981 61.7-149.2-146.0 125.6 3.8 18.5 44.8 33 331 A C B -C 800 0C 9 767,-2.6 767,-1.9 -2,-0.4 3,-0.2 -0.858 10.9-179.1 -96.4 122.3 6.1 16.1 43.0 34 332 A M > + 0 0 30 -2,-0.6 3,-2.2 765,-0.2 -1,-0.1 0.037 39.0 129.9-106.6 22.4 4.7 14.3 39.9 35 333 A G T 3 S+ 0 0 17 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.672 72.7 47.5 -47.8 -28.6 7.9 12.4 39.2 36 334 A S T 3 S+ 0 0 18 762,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.381 83.9 110.9-102.6 4.6 6.0 9.0 39.0 37 335 A I < - 0 0 8 -3,-2.2 -3,-0.1 760,-0.1 377,-0.0 -0.659 60.4-147.2 -75.2 132.0 3.2 10.2 36.7 38 336 A M S S+ 0 0 47 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.882 90.8 18.2 -65.6 -45.5 3.4 8.6 33.2 39 337 A L 0 0 100 -12,-0.0 -1,-0.3 359,-0.0 -12,-0.0 -0.778 360.0 360.0-130.7 82.7 2.0 11.6 31.3 40 338 A P 0 0 91 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.218 360.0 360.0 -83.8 360.0 2.2 14.8 33.5 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 0 113 0, 0.0 4,-1.9 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 155.1 2.2 31.1 15.4 43 351 A K H > + 0 0 78 1,-0.2 4,-1.7 2,-0.2 38,-0.1 0.862 360.0 54.9 -48.2 -44.0 4.9 33.3 13.7 44 352 A D H 4 S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.908 110.5 42.7 -60.2 -50.3 5.4 34.9 17.2 45 353 A Q H > S+ 0 0 125 1,-0.1 4,-1.1 2,-0.1 -1,-0.2 0.812 111.8 58.5 -63.6 -32.0 6.0 31.6 19.0 46 354 A L H X S+ 0 0 20 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.914 93.1 55.6 -79.1 -47.4 8.2 30.2 16.2 47 355 A F H X S+ 0 0 49 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.844 106.0 52.6 -60.0 -35.2 11.2 32.5 15.7 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.962 113.0 45.7 -61.0 -45.1 12.3 32.4 19.4 49 357 A L H X S+ 0 0 52 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.935 114.0 48.3 -60.8 -47.2 12.3 28.6 19.1 50 358 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.939 113.8 47.7 -54.7 -50.1 14.1 28.7 15.8 51 359 A K H X S+ 0 0 85 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.916 109.5 50.8 -60.2 -53.1 16.7 31.1 17.2 52 360 A E H X S+ 0 0 68 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.915 115.4 44.3 -50.0 -49.9 17.4 29.2 20.4 53 361 A F H X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.927 114.2 47.5 -62.1 -48.1 17.9 26.0 18.3 54 362 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.882 110.0 54.2 -65.6 -38.8 20.1 27.7 15.6 55 363 A D H X S+ 0 0 33 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.926 111.5 45.1 -53.4 -49.6 22.1 29.4 18.4 56 364 A Q H X S+ 0 0 49 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.897 112.6 51.4 -69.2 -38.3 22.8 25.9 19.9 57 365 A Y H X S+ 0 0 25 -4,-2.9 4,-0.9 2,-0.2 -2,-0.2 0.952 112.1 45.1 -60.0 -49.8 23.5 24.4 16.5 58 366 A Y H <>S+ 0 0 29 -4,-2.9 5,-3.1 1,-0.2 3,-0.3 0.813 111.0 53.7 -69.1 -29.7 26.1 27.1 15.6 59 367 A S H ><5S+ 0 0 68 -4,-2.0 3,-1.9 -5,-0.2 -1,-0.2 0.912 103.5 58.6 -62.0 -43.3 27.7 26.8 19.0 60 368 A S H 3<5S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.702 107.8 43.7 -63.0 -24.9 28.1 23.1 18.5 61 369 A I T 3<5S- 0 0 65 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.101 118.9-110.9-105.3 19.0 30.2 23.5 15.4 62 370 A K T < 5S+ 0 0 191 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.860 89.3 111.5 52.4 47.1 32.2 26.2 17.1 63 371 A R > < + 0 0 145 -5,-3.1 3,-1.3 -6,-0.1 6,-0.3 -0.119 36.0 154.6-135.4 37.5 30.8 29.0 14.8 64 372 A F T 3 S+ 0 0 122 1,-0.2 3,-0.1 -5,-0.2 -9,-0.1 -0.493 72.9 9.4 -72.1 132.9 28.7 31.0 17.3 65 373 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.2 -2,-0.2 -10,-0.0 0.375 97.6 137.2 80.3 -3.8 28.3 34.7 16.3 66 374 A S S <> S- 0 0 32 -3,-1.3 4,-3.3 1,-0.1 -1,-0.2 -0.183 70.9-109.5 -72.1 163.4 29.9 34.1 12.9 67 375 A K H > S+ 0 0 147 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.963 123.5 54.0 -56.7 -48.9 28.5 35.5 9.6 68 376 A A H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.879 112.7 46.4 -51.8 -39.1 27.4 31.9 8.6 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-1.8 2,-0.2 3,-0.3 0.982 115.1 43.7 -62.1 -60.0 25.6 31.9 12.0 70 378 A M H X S+ 0 0 79 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.869 111.1 55.6 -55.2 -43.0 24.0 35.4 11.6 71 379 A D H X S+ 0 0 80 -4,-3.8 4,-2.4 1,-0.2 -1,-0.2 0.871 106.9 48.3 -61.7 -42.0 23.0 34.8 7.9 72 380 A R H X S+ 0 0 9 -4,-1.4 4,-3.0 -3,-0.3 5,-0.3 0.924 107.3 56.5 -63.8 -42.7 21.0 31.7 8.7 73 381 A L H X S+ 0 0 21 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.909 112.2 42.4 -56.2 -46.2 19.2 33.4 11.5 74 382 A E H X S+ 0 0 96 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.905 112.3 53.7 -63.2 -47.0 18.1 36.1 9.1 75 383 A E H X S+ 0 0 90 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 113.4 42.4 -54.8 -50.1 17.2 33.6 6.3 76 384 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.895 112.8 54.0 -65.1 -43.4 15.0 31.6 8.7 77 385 A N H X S+ 0 0 45 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.878 110.6 46.1 -56.3 -44.5 13.5 34.8 10.1 78 386 A K H X S+ 0 0 140 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.891 112.1 52.1 -62.8 -41.2 12.6 35.9 6.5 79 387 A E H X>S+ 0 0 48 -4,-2.2 4,-4.1 -5,-0.2 5,-0.5 0.921 111.1 45.8 -65.2 -46.1 11.2 32.5 5.8 80 388 A I H X5S+ 0 0 3 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.912 111.7 51.6 -60.8 -49.1 8.9 32.5 8.9 81 389 A E H <5S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 122.5 32.9 -57.3 -33.2 7.7 36.0 8.3 82 390 A S H <5S+ 0 0 98 -4,-1.7 -2,-0.2 3,-0.2 -3,-0.2 0.910 134.3 22.0 -90.7 -49.8 6.9 35.0 4.7 83 391 A T H <5S- 0 0 73 -4,-4.1 -3,-0.2 2,-0.4 -2,-0.2 0.577 92.6-126.0 -99.5 -15.7 5.8 31.4 4.8 84 392 A S S < - 0 0 97 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.562 31.8-107.5 -74.9 150.8 19.0 22.0 6.5 90 398 A D H > S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.887 122.5 53.3 -46.3 -46.3 20.0 18.3 6.4 91 399 A T H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.904 110.3 46.3 -57.8 -46.3 22.8 19.2 8.9 92 400 A E H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.841 111.7 52.5 -62.2 -37.7 20.3 20.8 11.3 93 401 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.930 110.6 45.5 -68.4 -46.3 17.9 17.8 11.0 94 402 A I H X S+ 0 0 68 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.933 116.1 47.3 -59.5 -46.6 20.6 15.2 11.8 95 403 A Y H X S+ 0 0 31 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.897 111.7 51.4 -62.7 -42.5 21.8 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.915 111.8 45.3 -60.6 -45.6 18.2 17.9 15.9 97 405 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 112.2 50.5 -68.6 -43.8 17.4 14.2 15.9 98 406 A K H X S+ 0 0 52 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.915 112.9 48.0 -60.4 -41.8 20.6 13.1 17.6 99 407 A H H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.811 103.0 58.6 -72.0 -30.8 19.9 15.7 20.3 100 408 A A H < S+ 0 0 0 -4,-2.0 296,-0.5 2,-0.2 4,-0.4 0.937 112.4 43.7 -60.1 -42.0 16.3 14.7 20.9 101 409 A W H >< S+ 0 0 34 -4,-1.8 3,-1.6 2,-0.2 -2,-0.2 0.948 111.0 53.7 -64.7 -49.6 17.8 11.3 21.7 102 410 A R H 3< S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.887 113.2 44.2 -49.6 -42.3 20.6 12.9 23.8 103 411 A N T 3< S+ 0 0 10 -4,-2.7 2,-1.1 291,-0.2 289,-0.4 0.435 78.6 121.0 -84.5 -3.2 17.8 14.8 25.8 104 412 A A X - 0 0 25 -3,-1.6 3,-1.9 -4,-0.4 6,-0.1 -0.494 44.0-169.1 -69.1 98.8 15.5 11.7 26.2 105 413 A S T 3 S+ 0 0 22 -2,-1.1 262,-2.8 1,-0.3 -1,-0.2 0.709 81.6 53.5 -69.8 -18.3 15.4 11.6 30.0 106 414 A R T 3 S+ 0 0 52 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.430 87.4 96.9 -93.0 1.0 13.7 8.2 30.1 107 415 A C X - 0 0 40 -3,-1.9 3,-0.6 -6,-0.2 264,-0.1 -0.833 46.8-173.9-102.6 118.2 16.2 6.4 27.8 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.628 79.3 68.5 -75.8 -17.0 18.9 4.4 29.5 109 417 A G T > + 0 0 30 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.094 59.8 118.5 -95.2 25.0 20.7 3.7 26.2 110 418 A R G X + 0 0 0 -3,-0.6 3,-2.1 1,-0.3 -1,-0.2 0.561 49.0 85.9 -75.2 -4.6 21.9 7.3 25.5 111 419 A I G 3 S+ 0 0 45 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.808 92.8 52.6 -61.2 -20.8 25.6 6.5 25.5 112 420 A Q G X S+ 0 0 52 -3,-1.5 3,-2.6 1,-0.2 -1,-0.3 0.371 75.8 117.3 -88.8 0.8 25.0 5.6 21.8 113 421 A W T < S+ 0 0 43 -3,-2.1 -1,-0.2 1,-0.3 -11,-0.2 0.717 70.4 50.6 -53.0 -36.2 23.3 9.0 21.0 114 422 A S T 3 S+ 0 0 58 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.641 97.4 72.2 -79.9 -11.6 25.8 10.3 18.5 115 423 A K < + 0 0 122 -3,-2.6 2,-0.4 -17,-0.1 34,-0.3 -0.720 67.7 134.1-104.1 77.6 25.6 7.0 16.4 116 424 A L - 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0 0 36 -5,-1.6 2,-0.8 9,-0.1 -1,-0.2 -0.565 49.6 -97.8 -84.6 155.7 7.8 -24.2 43.0 309 617 A D + 0 0 64 -2,-0.2 3,-0.3 1,-0.1 8,-0.3 -0.688 42.0 174.0 -73.8 107.8 5.6 -23.8 46.1 310 618 A M + 0 0 56 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.183 53.3 100.3 -98.5 12.0 3.0 -21.2 45.1 311 619 A R S S+ 0 0 217 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.773 88.8 25.3 -68.0 -27.3 1.1 -21.7 48.3 312 620 A K > - 0 0 82 -3,-0.3 3,-1.3 1,-0.1 5,-0.4 -0.998 68.3-134.0-145.5 140.0 2.6 -18.6 49.9 313 621 A T G > S+ 0 0 50 -2,-0.3 3,-1.6 1,-0.2 5,-0.2 0.790 98.9 72.4 -64.4 -26.3 4.1 -15.3 48.6 314 622 A S G 3 S+ 0 0 17 1,-0.3 -1,-0.2 2,-0.1 428,-0.1 0.568 78.9 72.9 -71.2 -10.7 7.1 -15.6 51.0 315 623 A S G < S- 0 0 22 -3,-1.3 -1,-0.3 -6,-0.2 -2,-0.1 0.445 100.3-131.9 -75.9 -2.8 8.7 -18.5 49.0 316 624 A L <> + 0 0 0 -3,-1.6 4,-2.4 1,-0.1 5,-0.2 0.805 55.0 150.0 50.4 37.6 9.6 -15.9 46.4 317 625 A W H > S+ 0 0 20 -5,-0.4 4,-2.2 -8,-0.3 5,-0.2 0.870 70.3 52.0 -67.4 -36.0 8.2 -18.2 43.6 318 626 A K H > S+ 0 0 73 -5,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 112.1 47.6 -61.8 -43.4 7.3 -15.2 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.877 110.5 50.0 -66.7 -41.3 10.8 -13.9 41.9 320 628 A Q H X S+ 0 0 32 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.949 113.6 45.2 -63.5 -47.9 12.5 -17.1 41.1 321 629 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.777 107.9 59.6 -65.9 -30.2 10.4 -17.6 37.9 322 630 A L H X S+ 0 0 1 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.944 104.8 49.2 -63.2 -45.1 11.1 -14.0 37.0 323 631 A V H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.947 112.3 47.3 -59.7 -48.8 14.8 -14.5 36.9 324 632 A E H X S+ 0 0 12 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.913 108.8 53.3 -62.1 -45.6 14.5 -17.7 34.7 325 633 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.912 112.8 46.3 -53.4 -43.2 12.2 -16.1 32.2 326 634 A N H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.784 109.2 53.4 -75.1 -27.5 14.7 -13.3 31.9 327 635 A I H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.885 108.5 51.3 -66.5 -43.2 17.6 -15.7 31.6 328 636 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -89,-0.5 0.884 108.4 51.4 -64.5 -40.1 15.7 -17.5 28.7 329 637 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.3 0.976 112.4 43.9 -60.9 -55.0 15.1 -14.2 26.9 330 638 A L H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 3,-0.2 0.931 116.0 48.1 -57.2 -48.5 18.8 -13.1 26.9 331 639 A Y H X S+ 0 0 89 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.817 109.8 52.3 -60.6 -40.0 20.0 -16.6 26.0 332 640 A S H X S+ 0 0 0 -4,-2.2 4,-1.2 -93,-0.3 -1,-0.2 0.846 112.1 44.7 -65.8 -41.3 17.6 -17.0 23.1 333 641 A F H <>S+ 0 0 0 -4,-2.0 5,-2.7 -3,-0.2 4,-0.4 0.902 114.9 49.1 -69.7 -45.1 18.6 -13.6 21.5 334 642 A Q H ><5S+ 0 0 82 -4,-2.6 3,-1.5 -5,-0.3 -2,-0.2 0.949 109.5 52.0 -59.4 -44.8 22.3 -14.4 22.0 335 643 A S H 3<5S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 114.4 41.9 -63.3 -33.8 21.9 -17.9 20.5 336 644 A D T 3<5S- 0 0 65 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.339 115.8-118.6 -91.2 3.6 20.2 -16.5 17.4 337 645 A K T < 5 + 0 0 152 -3,-1.5 2,-0.6 -4,-0.4 -3,-0.2 0.907 60.7 148.6 57.6 48.4 22.8 -13.5 17.3 338 646 A V < - 0 0 5 -5,-2.7 -1,-0.2 -192,-0.1 -192,-0.2 -0.961 55.4-108.9-110.1 119.8 20.3 -10.7 17.7 339 647 A T + 0 0 43 -194,-3.0 -59,-0.5 -2,-0.6 2,-0.3 -0.185 52.8 155.7 -42.1 131.8 21.8 -7.8 19.6 340 648 A I - 0 0 26 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.948 28.6-144.8-151.5 154.4 20.2 -7.5 23.1 341 649 A V B -o 281 0J 30 -61,-2.2 -59,-3.0 -2,-0.3 -58,-0.2 -0.985 12.0-133.5-123.4 140.2 21.6 -5.9 26.3 342 650 A D > - 0 0 11 -2,-0.4 4,-2.5 -61,-0.2 5,-0.2 -0.545 28.6-110.9 -82.3 162.5 21.1 -7.1 29.9 343 651 A H H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.767 114.9 55.2 -67.4 -26.2 20.2 -4.6 32.6 344 652 A H H > S+ 0 0 15 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.958 112.9 40.2 -66.0 -50.6 23.6 -4.8 34.3 345 653 A S H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.894 115.7 51.0 -67.1 -42.6 25.5 -3.9 31.2 346 654 A A H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.905 112.8 44.2 -63.2 -45.7 23.0 -1.2 30.1 347 655 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.884 110.0 55.9 -70.3 -39.3 22.9 0.6 33.5 348 656 A E H X S+ 0 0 129 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.890 110.0 47.4 -53.4 -42.9 26.7 0.4 33.8 349 657 A S H X S+ 0 0 42 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.889 108.1 53.6 -68.4 -42.2 26.9 2.2 30.4 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.871 105.4 54.3 -64.6 -34.3 24.4 4.9 31.3 351 659 A I H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.900 111.1 45.6 -63.1 -41.2 26.5 5.7 34.5 352 660 A K H X S+ 0 0 122 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.920 112.1 51.7 -67.6 -41.7 29.6 6.2 32.3 353 661 A H H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.916 107.5 53.3 -61.4 -40.6 27.5 8.2 29.8 354 662 A M H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.940 108.2 49.4 -59.7 -48.1 26.3 10.4 32.8 355 663 A E H X S+ 0 0 82 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.929 111.7 48.7 -54.7 -46.4 29.9 11.1 33.8 356 664 A N H X S+ 0 0 47 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.936 112.9 48.1 -58.9 -47.9 30.8 12.1 30.2 357 665 A E H X>S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 6,-1.6 0.872 112.9 47.5 -63.6 -38.9 27.7 14.4 30.0 358 666 A Y H X5S+ 0 0 17 -4,-2.8 4,-1.1 4,-0.3 -2,-0.2 0.965 116.8 43.6 -63.3 -47.8 28.5 16.0 33.3 359 667 A R H <5S+ 0 0 179 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.791 128.3 28.2 -65.5 -29.9 32.2 16.5 32.3 360 668 A C H <5S+ 0 0 87 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.649 134.7 21.4-112.4 -19.6 31.4 17.7 28.8 361 669 A R H <5S- 0 0 46 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.443 99.6-110.9-129.1 -10.8 27.9 19.4 28.9 362 670 A G S <> - 0 0 6 -262,-2.8 4,-2.3 -2,-0.3 3,-1.3 -0.856 14.1-162.8-100.0 101.0 14.1 10.2 35.0 368 676 A W H 3> S+ 0 0 17 -2,-0.9 4,-2.5 1,-0.3 -1,-0.2 0.865 85.2 62.5 -55.5 -43.9 15.2 7.8 37.8 369 677 A V H 34 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.804 114.7 32.4 -50.1 -39.7 11.8 6.1 37.8 370 678 A W H <4 S+ 0 0 116 -3,-1.3 -1,-0.2 -265,-0.1 -2,-0.2 0.722 114.8 58.8 -90.9 -27.5 12.2 4.9 34.2 371 679 A I H < S+ 0 0 1 -4,-2.3 -2,-0.2 -266,-0.1 -3,-0.2 0.903 86.8 81.2 -72.7 -42.1 16.0 4.5 34.3 372 680 A V S < S- 0 0 16 -4,-2.5 5,-0.1 -5,-0.2 6,-0.1 -0.556 92.0-114.7 -64.7 122.1 16.1 1.9 37.1 373 681 A P - 0 0 7 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.156 19.6-115.2 -58.1 151.0 15.2 -1.6 35.6 374 682 A P S S+ 0 0 13 0, 0.0 415,-2.4 0, 0.0 416,-0.4 0.391 98.5 45.8 -80.2 6.5 11.9 -3.3 36.6 375 683 A M S S+ 0 0 3 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.965 116.2 8.1-136.1 156.9 13.8 -6.1 38.3 376 684 A S S > S+ 0 0 6 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 0.758 72.3 173.0 52.3 36.5 16.9 -6.2 40.6 377 685 A G G > + 0 0 6 1,-0.2 3,-1.8 407,-0.2 6,-0.5 0.852 67.2 44.0 -40.2 -61.9 16.9 -2.4 41.1 378 686 A S G 3 S+ 0 0 2 407,-1.9 -1,-0.2 1,-0.3 408,-0.1 0.476 103.5 64.9 -77.1 -5.1 19.5 -1.9 43.8 379 687 A I G < S+ 0 0 15 -3,-1.5 -1,-0.3 406,-0.4 -2,-0.2 0.353 91.2 75.8 -94.2 3.9 22.0 -4.3 42.3 380 688 A T S X S- 0 0 1 -3,-1.8 3,-1.1 -4,-0.3 4,-0.4 -0.871 89.7-126.0-106.4 145.2 22.3 -2.0 39.2 381 689 A P G > S+ 0 0 33 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.755 102.7 69.6 -69.3 -22.2 24.4 1.1 39.8 382 690 A V G > S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -10,-0.1 0.784 86.5 69.6 -66.5 -26.9 21.7 3.6 38.6 383 691 A F G < S+ 0 0 32 -3,-1.1 -1,-0.2 -6,-0.5 -5,-0.1 0.901 103.9 41.7 -54.5 -40.5 19.6 2.7 41.7 384 692 A H G < S+ 0 0 15 -3,-0.9 -376,-2.5 -4,-0.4 2,-0.8 0.445 95.9 97.9 -88.9 -1.8 22.2 4.5 43.9 385 693 A Q B < -B 7 0B 6 -3,-1.2 -378,-0.2 -4,-0.3 -1,-0.0 -0.791 68.4-139.0 -96.9 109.6 22.6 7.5 41.5 386 694 A E - 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