==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 01-NOV-11 3UFO . 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) . 35460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.7 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 . 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 . 65 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 6 2 0 2 0 1 1 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 6 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 0 211 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -25.5 20.8 27.8 41.3 2 300 A F - 0 0 139 17,-0.1 2,-0.4 18,-0.0 15,-0.2 -0.908 360.0-149.6 -97.8 140.0 23.7 25.3 40.8 3 301 A L E -A 16 0A 41 13,-1.9 13,-3.6 -2,-0.4 2,-0.4 -0.937 6.3-144.9-126.7 133.6 22.6 21.9 41.9 4 302 A K E -A 15 0A 150 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.759 8.2-165.1 -94.7 135.8 24.6 19.0 43.3 5 303 A V E -A 14 0A 0 9,-3.0 9,-3.1 -2,-0.4 2,-0.3 -0.994 11.2-159.5-115.8 131.2 23.8 15.3 42.6 6 304 A K E -A 13 0A 55 -2,-0.4 380,-2.4 7,-0.2 2,-0.6 -0.805 15.6-143.2-107.3 145.6 25.4 12.7 44.9 7 305 A N B > -B 385 0B 4 5,-2.4 4,-2.0 -2,-0.3 378,-0.2 -0.944 12.4-160.0-100.3 117.6 26.0 9.0 44.3 8 306 A W T 4 S+ 0 0 80 376,-2.7 377,-0.1 -2,-0.6 -1,-0.1 0.539 88.1 51.6 -79.6 -6.8 25.4 7.3 47.7 9 307 A E T 4 S+ 0 0 41 375,-0.2 -1,-0.2 372,-0.1 376,-0.1 0.873 126.8 19.1 -88.5 -50.6 27.3 4.2 46.7 10 308 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.423 92.5-128.4-107.4 -5.1 30.5 6.0 45.5 11 309 A D < + 0 0 106 -4,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.390 54.8 151.4 65.6 -1.0 30.3 9.4 47.2 12 310 A V - 0 0 63 -5,-0.1 -5,-2.4 -6,-0.1 2,-0.5 -0.422 30.3-157.9 -61.9 128.5 30.9 11.1 43.8 13 311 A V E -A 6 0A 73 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.956 7.3-167.8-115.2 125.4 29.2 14.5 43.6 14 312 A L E -A 5 0A 32 -9,-3.1 -9,-3.0 -2,-0.5 2,-0.5 -0.821 14.5-137.5-113.3 155.2 28.3 16.2 40.3 15 313 A T E -A 4 0A 66 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.952 14.6-154.1-115.9 118.4 27.1 19.8 39.7 16 314 A D E +A 3 0A 0 -13,-3.6 -13,-1.9 -2,-0.5 347,-0.2 -0.824 31.7 151.4 -96.6 124.7 24.3 20.4 37.2 17 315 A T > + 0 0 56 345,-2.7 3,-1.7 -2,-0.5 4,-0.4 0.452 60.2 83.4-116.5 -13.3 24.1 23.7 35.4 18 316 A L G > S+ 0 0 6 344,-1.5 3,-1.3 1,-0.3 345,-0.1 0.776 75.9 73.5 -67.8 -24.8 22.3 22.5 32.3 19 317 A H G > S+ 0 0 20 343,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.728 81.6 69.5 -61.2 -22.6 19.0 22.8 34.0 20 318 A L G < S+ 0 0 69 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.826 95.7 53.9 -70.8 -25.4 19.0 26.6 33.8 21 319 A K G < S+ 0 0 149 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.231 83.0 132.8 -82.7 9.7 18.6 26.2 30.1 22 320 A S < + 0 0 15 -3,-2.0 370,-0.2 1,-0.2 -3,-0.1 -0.425 29.7 174.4 -62.8 137.0 15.5 24.1 31.0 23 321 A T + 0 0 57 368,-2.2 369,-0.2 -2,-0.1 -1,-0.2 0.813 47.6 56.0-117.2 -54.4 12.7 25.3 28.9 24 322 A L S S- 0 0 46 367,-0.8 367,-0.4 1,-0.1 2,-0.2 -0.061 84.2-100.1 -74.9 177.2 9.5 23.2 29.2 25 323 A E - 0 0 126 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.683 15.1-149.4-107.0 157.9 7.7 22.4 32.5 26 324 A T - 0 0 19 413,-2.1 414,-0.1 2,-0.2 413,-0.1 0.748 36.0-116.2 -97.3 -26.7 7.7 19.2 34.7 27 325 A G S S+ 0 0 34 1,-0.5 412,-0.1 412,-0.3 413,-0.1 -0.046 81.3 110.6 102.4 -28.8 4.4 19.0 36.3 28 326 A C - 0 0 3 410,-0.3 -1,-0.5 411,-0.1 2,-0.3 -0.321 44.6-173.1 -73.6 157.4 5.9 19.4 39.8 29 327 A T - 0 0 49 3,-2.2 3,-0.4 -3,-0.1 408,-0.4 -0.884 45.0 -97.4-132.8 174.3 5.4 22.5 42.0 30 328 A E S S+ 0 0 67 -2,-0.3 405,-3.7 1,-0.2 406,-0.2 0.714 125.7 48.5 -64.1 -18.5 7.1 23.4 45.4 31 329 A H S S+ 0 0 80 1,-0.2 771,-0.4 403,-0.2 2,-0.4 0.746 119.6 23.9 -89.0 -26.8 4.0 22.0 47.0 32 330 A I - 0 0 13 -3,-0.4 -3,-2.2 769,-0.1 2,-0.5 -0.982 64.2-141.8-152.6 128.8 3.6 18.6 45.2 33 331 A C B -C 800 0C 10 767,-2.9 767,-1.6 -2,-0.4 3,-0.2 -0.829 12.3-177.8 -96.3 123.8 5.9 16.3 43.4 34 332 A M > + 0 0 28 -2,-0.5 3,-1.8 1,-0.2 -1,-0.1 0.099 41.1 126.7-107.1 22.1 4.6 14.6 40.2 35 333 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 765,-0.1 334,-0.2 0.689 74.2 49.2 -46.6 -27.1 7.7 12.5 39.5 36 334 A S T 3 S+ 0 0 20 762,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.476 81.7 106.7-104.7 -0.2 5.7 9.3 39.4 37 335 A I < - 0 0 12 -3,-1.8 -3,-0.0 760,-0.1 377,-0.0 -0.637 64.9-141.9 -74.0 128.4 2.9 10.3 37.0 38 336 A M S S+ 0 0 49 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 0.818 91.8 13.3 -61.2 -35.2 3.2 8.7 33.6 39 337 A L 0 0 99 -12,-0.0 -1,-0.2 -3,-0.0 -12,-0.1 -0.736 360.0 360.0-143.8 98.9 2.0 12.0 31.8 40 338 A P 0 0 100 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.290 360.0 360.0 -68.4 360.0 1.7 15.3 33.8 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 0 135 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0-173.4 1.9 29.5 15.0 43 351 A K H 3> + 0 0 103 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.692 360.0 45.4 -24.5 -66.4 3.4 32.9 13.9 44 352 A D H 34 S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.883 117.2 38.1 -55.1 -51.5 4.3 34.4 17.3 45 353 A Q H <> S+ 0 0 101 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.723 100.9 75.0 -82.6 -20.3 6.0 31.6 19.1 46 354 A L H X S+ 0 0 15 -4,-1.6 4,-2.7 -3,-0.2 -1,-0.2 0.912 89.5 51.9 -65.4 -47.4 7.9 30.0 16.2 47 355 A F H X S+ 0 0 49 -4,-0.8 4,-3.2 1,-0.2 5,-0.2 0.918 107.4 52.2 -62.3 -44.9 10.8 32.4 15.7 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.955 113.2 46.3 -46.1 -52.7 11.9 32.4 19.4 49 357 A L H X S+ 0 0 50 -4,-1.5 4,-1.9 1,-0.2 219,-0.2 0.894 112.9 49.3 -61.5 -41.8 11.9 28.6 19.2 50 358 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.946 111.9 48.9 -59.1 -51.0 13.8 28.7 15.9 51 359 A K H X S+ 0 0 83 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.896 108.8 51.4 -57.1 -48.8 16.4 31.1 17.2 52 360 A E H X S+ 0 0 64 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.926 113.2 46.9 -60.2 -42.8 17.1 29.2 20.4 53 361 A F H X S+ 0 0 4 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.949 112.1 46.9 -62.4 -49.4 17.7 26.1 18.4 54 362 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.846 108.7 58.0 -67.4 -33.4 20.0 27.6 15.7 55 363 A D H X S+ 0 0 37 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.917 109.3 42.9 -56.0 -49.4 21.9 29.3 18.5 56 364 A Q H X S+ 0 0 50 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.942 114.6 53.1 -69.6 -37.6 22.7 25.9 20.1 57 365 A Y H X S+ 0 0 21 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.955 111.6 42.4 -53.0 -58.7 23.4 24.5 16.7 58 366 A Y H <>S+ 0 0 27 -4,-3.2 5,-3.3 1,-0.2 6,-0.3 0.789 114.1 52.9 -66.9 -29.1 25.9 27.1 15.6 59 367 A S H ><5S+ 0 0 67 -4,-1.9 3,-2.1 4,-0.2 -1,-0.2 0.926 105.1 55.5 -64.1 -46.6 27.5 27.0 19.1 60 368 A S H 3<5S+ 0 0 43 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.799 108.7 46.8 -60.7 -30.6 27.9 23.2 18.7 61 369 A I T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.163 119.0-109.9 -95.8 20.4 29.9 23.6 15.5 62 370 A K T < 5S+ 0 0 174 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.768 90.2 113.1 58.2 31.5 32.1 26.4 17.0 63 371 A R > < + 0 0 127 -5,-3.3 3,-2.2 -6,-0.2 6,-0.3 0.054 33.3 153.5-118.8 26.1 30.5 29.0 14.8 64 372 A F T 3 S+ 0 0 127 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.372 77.4 2.8 -62.6 121.8 28.7 31.1 17.4 65 373 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.604 96.7 139.5 76.8 12.7 28.3 34.7 16.1 66 374 A S <> - 0 0 31 -3,-2.2 4,-2.2 1,-0.1 3,-0.3 -0.429 68.0-108.5 -80.4 162.9 29.9 33.9 12.7 67 375 A K H > S+ 0 0 148 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 121.3 56.0 -60.1 -42.9 28.5 35.4 9.5 68 376 A A H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 108.9 50.8 -53.7 -37.7 27.1 32.0 8.4 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.983 111.4 44.0 -62.1 -59.9 25.3 32.0 11.8 70 378 A M H X S+ 0 0 88 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.847 112.5 54.7 -55.2 -38.5 23.7 35.5 11.4 71 379 A D H X S+ 0 0 81 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.927 107.7 47.1 -65.1 -46.0 22.8 34.8 7.8 72 380 A R H X S+ 0 0 11 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.877 109.6 55.1 -62.3 -37.9 20.8 31.6 8.6 73 381 A L H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.938 112.3 42.4 -63.1 -43.9 19.0 33.4 11.4 74 382 A E H X S+ 0 0 116 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.920 112.4 54.4 -65.9 -43.2 17.9 36.1 9.0 75 383 A E H X S+ 0 0 97 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.883 111.1 45.3 -57.5 -42.2 17.0 33.5 6.3 76 384 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.912 111.7 51.2 -72.6 -43.7 14.8 31.6 8.7 77 385 A N H X S+ 0 0 46 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.895 109.7 51.0 -58.2 -38.7 13.2 34.8 10.0 78 386 A K H X S+ 0 0 150 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.860 109.8 51.0 -66.0 -32.6 12.4 35.8 6.4 79 387 A E H X S+ 0 0 52 -4,-1.5 4,-3.6 -5,-0.2 6,-0.6 0.844 111.7 45.7 -74.0 -34.9 10.9 32.4 5.7 80 388 A I H X S+ 0 0 9 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.960 110.3 50.9 -74.6 -53.8 8.6 32.5 8.7 81 389 A E H < S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.826 123.8 34.5 -49.7 -34.1 7.3 36.1 8.2 82 390 A S H < S+ 0 0 96 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.945 133.0 22.3 -84.6 -57.0 6.6 35.0 4.7 83 391 A T H < S- 0 0 67 -4,-3.6 -3,-0.2 2,-0.4 -2,-0.2 0.269 91.5-123.3-103.7 6.7 5.5 31.3 4.9 84 392 A S S < S+ 0 0 70 -4,-2.7 2,-0.3 -5,-0.1 -4,-0.2 0.570 91.7 36.8 54.1 10.7 4.3 30.9 8.5 85 393 A T S S- 0 0 33 -6,-0.6 -2,-0.4 -5,-0.1 2,-0.3 -0.919 72.4-143.4-160.6-172.4 6.9 28.1 8.9 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.952 13.8-115.4-153.8 176.0 10.4 27.1 7.7 87 395 A Q - 0 0 94 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.921 23.2-127.9-121.6 144.0 12.5 24.2 6.7 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.677 21.6-119.0 -89.7 141.2 15.6 22.7 8.3 89 397 A K > - 0 0 104 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.406 32.5-110.5 -65.0 152.7 19.0 22.0 6.6 90 398 A D H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 121.3 51.4 -51.9 -48.5 20.0 18.4 6.5 91 399 A T H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 110.8 48.5 -57.8 -43.8 22.8 19.1 9.0 92 400 A E H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 111.4 50.2 -60.1 -39.8 20.3 20.9 11.3 93 401 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 109.4 49.6 -71.8 -40.8 17.9 18.0 11.1 94 402 A I H X S+ 0 0 69 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.936 114.1 46.2 -61.5 -46.6 20.5 15.3 11.9 95 403 A Y H X S+ 0 0 29 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.894 111.0 52.7 -66.1 -39.4 21.7 17.3 14.9 96 404 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.910 110.4 46.5 -63.2 -44.6 18.1 17.9 16.1 97 405 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.905 113.0 49.0 -62.5 -45.2 17.2 14.2 16.0 98 406 A K H X S+ 0 0 52 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.889 112.2 49.2 -65.3 -42.5 20.3 13.2 17.8 99 407 A H H X S+ 0 0 11 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.797 102.5 59.4 -68.5 -27.1 19.7 15.8 20.4 100 408 A A H < S+ 0 0 0 -4,-1.8 296,-0.5 2,-0.2 4,-0.4 0.932 110.8 44.3 -65.3 -38.1 16.1 14.8 21.0 101 409 A W H >< S+ 0 0 36 -4,-1.6 3,-1.5 2,-0.2 -2,-0.2 0.943 110.8 54.2 -66.5 -46.7 17.6 11.3 21.9 102 410 A R H 3< S+ 0 0 35 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.5 45.9 -54.7 -36.5 20.3 13.1 24.0 103 411 A N T 3< S+ 0 0 11 -4,-2.5 2,-1.0 291,-0.2 289,-0.3 0.497 78.0 117.1 -88.1 -0.8 17.6 14.9 25.9 104 412 A A X - 0 0 28 -3,-1.5 3,-1.9 -4,-0.4 6,-0.1 -0.515 44.8-170.6 -73.7 100.2 15.3 11.9 26.5 105 413 A S T 3 S+ 0 0 16 -2,-1.0 262,-2.8 1,-0.3 -1,-0.2 0.629 80.6 56.6 -74.5 -10.8 15.4 11.7 30.3 106 414 A R T 3 S+ 0 0 57 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.336 86.6 100.0 -97.7 2.1 13.6 8.4 30.5 107 415 A C X - 0 0 38 -3,-1.9 3,-0.6 -6,-0.2 264,-0.1 -0.862 45.4-175.7-103.2 117.2 16.2 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 0.689 79.9 67.3 -75.1 -22.1 18.9 4.5 29.8 109 417 A G T > + 0 0 29 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.153 61.3 116.6 -89.0 22.9 20.6 3.8 26.5 110 418 A R G X + 0 0 0 -3,-0.6 3,-2.6 1,-0.3 -1,-0.2 0.573 48.3 86.1 -78.0 -9.8 21.8 7.3 25.8 111 419 A I G 3 S+ 0 0 51 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.778 94.6 52.5 -54.9 -20.8 25.6 6.6 25.8 112 420 A Q G X S+ 0 0 48 -3,-1.3 3,-2.8 1,-0.2 -1,-0.3 0.419 74.0 118.1 -90.0 -0.6 24.9 5.8 22.2 113 421 A W T < S+ 0 0 44 -3,-2.6 -1,-0.2 1,-0.3 -11,-0.2 0.670 71.7 52.5 -52.9 -27.4 23.1 9.1 21.3 114 422 A S T 3 S+ 0 0 56 -3,-0.3 2,-1.1 1,-0.2 -1,-0.3 0.634 93.4 73.4 -88.7 -14.3 25.6 10.2 18.6 115 423 A K < + 0 0 122 -3,-2.8 2,-0.4 -17,-0.1 34,-0.3 -0.716 67.0 132.4 -97.3 79.2 25.5 7.0 16.6 116 424 A L - 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0 0 15 -21,-1.3 2,-0.3 -2,-0.3 -130,-0.2 -0.194 54.8 -59.5-143.8-111.4 17.8 0.8 18.7 279 587 A W - 0 0 77 -23,-0.1 61,-0.1 -2,-0.1 -23,-0.1 -0.997 49.0 -93.0-151.9 159.6 18.0 -2.5 20.6 280 588 A Y - 0 0 3 -25,-0.5 61,-2.1 59,-0.5 2,-0.4 -0.219 14.4-143.1 -74.2 144.6 16.4 -4.1 23.7 281 589 A M B >> -o 341 0J 20 59,-0.2 3,-1.7 1,-0.1 4,-0.6 -0.897 34.7-121.1 -91.3 139.5 17.5 -4.2 27.2 282 590 A G H >> S+ 0 0 1 59,-3.2 4,-2.5 -2,-0.4 3,-1.5 0.857 106.9 61.9 -53.3 -44.0 16.5 -7.8 28.4 283 591 A T H 3>>S+ 0 0 0 1,-0.3 5,-1.7 58,-0.2 4,-1.6 0.705 90.3 68.6 -58.6 -25.4 14.2 -6.7 31.2 284 592 A E H <4>S+ 0 0 83 -3,-1.7 5,-1.8 3,-0.2 -1,-0.3 0.854 115.5 26.5 -63.9 -34.7 11.9 -4.9 28.8 285 593 A I H <<>S+ 0 0 0 -3,-1.5 5,-1.8 -4,-0.6 6,-0.2 0.905 127.8 42.6 -88.2 -55.2 10.9 -8.3 27.4 286 594 A G H <5S+ 0 0 0 -4,-2.5 -3,-0.2 3,-0.2 5,-0.2 0.888 127.9 25.3 -63.9 -43.2 11.5 -10.6 30.4 287 595 A V T X5S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 5,-0.3 0.952 134.9 24.3 -85.7 -57.1 10.1 -8.4 33.1 288 596 A R H ><>S- 0 0 4 -4,-1.6 3,-1.8 -5,-0.3 5,-1.1 -0.393 70.8-128.0 -57.6 136.5 3.1 -7.7 33.8 293 601 A N T 3 5S+ 0 0 97 1,-0.3 -1,-0.1 3,-0.1 125,-0.0 0.877 110.2 48.9 -51.5 -42.2 -0.4 -8.7 34.8 294 602 A S T 3 5S+ 0 0 48 2,-0.0 -1,-0.3 -107,-0.0 -2,-0.1 0.266 114.2 50.4 -86.3 9.3 -1.9 -6.7 31.9 295 603 A R T < 5S- 0 0 31 -3,-1.8 -5,-0.2 -107,-0.1 -6,-0.1 0.046 127.1 -38.3-115.1-133.1 0.6 -8.3 29.4 296 604 A Y T 5 - 0 0 6 -7,-2.0 -6,-0.2 -8,-0.2 -5,-0.2 0.723 69.7-163.3 -72.6 -18.3 1.5 -11.9 28.7 297 605 A N < + 0 0 54 -5,-1.1 -6,-0.3 -9,-0.3 3,-0.2 0.836 27.4 154.4 46.9 58.3 1.3 -12.5 32.5 298 606 A I > + 0 0 4 -8,-2.4 4,-2.2 1,-0.2 5,-0.2 0.395 32.4 101.3-105.4 0.7 3.2 -15.9 32.5 299 607 A L H > S+ 0 0 10 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.873 82.6 52.5 -56.7 -46.0 4.8 -16.2 35.9 300 608 A E H > S+ 0 0 106 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 110.5 47.4 -55.9 -47.8 2.2 -18.7 37.2 301 609 A E H > S+ 0 0 84 -4,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.899 116.1 45.4 -62.8 -42.4 2.7 -21.0 34.3 302 610 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 3,-0.3 0.909 109.1 52.7 -68.2 -48.8 6.5 -20.9 34.6 303 611 A A H ><>S+ 0 0 0 -4,-3.1 5,-1.3 1,-0.2 3,-0.7 0.921 106.4 55.1 -54.7 -46.6 6.7 -21.3 38.4 304 612 A K H ><5S+ 0 0 124 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.857 105.9 51.4 -51.6 -42.8 4.5 -24.5 38.1 305 613 A K H 3<5S+ 0 0 87 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.768 109.0 50.4 -72.6 -25.8 6.9 -26.0 35.7 306 614 A M T <<5S- 0 0 38 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.420 109.4-131.2 -84.3 -3.2 9.8 -25.2 38.1 307 615 A D T < 5 + 0 0 147 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.2 0.856 46.3 164.0 46.5 49.2 7.7 -27.0 40.8 308 616 A L < - 0 0 34 -5,-1.3 2,-0.9 1,-0.1 -1,-0.2 -0.529 50.1 -94.1 -87.7 159.6 8.1 -24.2 43.4 309 617 A D + 0 0 58 -2,-0.2 3,-0.4 1,-0.2 8,-0.3 -0.664 43.4 174.3 -77.9 105.1 5.9 -23.8 46.5 310 618 A M + 0 0 54 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.189 53.5 98.2 -97.4 12.6 3.2 -21.3 45.3 311 619 A R S S+ 0 0 214 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.837 88.4 27.6 -69.0 -36.2 1.3 -21.6 48.6 312 620 A K > - 0 0 95 -3,-0.4 3,-1.8 1,-0.1 5,-0.4 -0.989 68.4-134.3-135.6 140.0 2.8 -18.4 50.2 313 621 A T G > S+ 0 0 50 -2,-0.4 3,-1.6 1,-0.3 5,-0.2 0.797 101.8 70.9 -57.9 -24.0 4.1 -15.2 48.7 314 622 A S G 3 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.1 427,-0.1 0.535 78.0 71.0 -80.4 -6.7 7.0 -15.5 51.1 315 623 A S G < S- 0 0 24 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 0.551 102.2-133.7 -75.3 -5.9 8.7 -18.4 49.3 316 624 A L <> + 0 0 1 -3,-1.6 4,-2.2 -4,-0.2 -2,-0.1 0.819 51.9 153.5 53.0 40.0 9.4 -15.7 46.7 317 625 A W H > S+ 0 0 20 -5,-0.4 4,-2.7 -8,-0.3 5,-0.2 0.891 70.4 55.6 -63.4 -38.6 8.3 -18.1 43.8 318 626 A K H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 109.4 46.0 -55.2 -48.6 7.4 -15.0 41.7 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.884 112.4 50.3 -67.8 -39.4 10.9 -13.6 42.1 320 628 A Q H X S+ 0 0 26 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.940 113.1 45.1 -63.3 -47.9 12.5 -16.9 41.3 321 629 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.804 108.5 58.7 -61.6 -34.9 10.5 -17.5 38.2 322 630 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.895 104.3 50.3 -66.4 -37.1 11.1 -13.8 37.1 323 631 A V H X S+ 0 0 4 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.923 110.8 48.9 -67.0 -42.7 14.9 -14.3 37.1 324 632 A E H X S+ 0 0 12 -4,-1.4 4,-2.6 2,-0.2 3,-0.2 0.935 108.1 53.2 -64.0 -46.8 14.7 -17.5 35.0 325 633 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.926 112.7 45.6 -52.2 -46.7 12.4 -15.9 32.4 326 634 A N H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.760 109.6 53.6 -72.3 -24.9 14.9 -13.1 32.0 327 635 A I H X S+ 0 0 13 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.881 109.2 50.6 -70.6 -37.0 17.8 -15.5 31.9 328 636 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -89,-0.4 0.903 108.2 51.9 -69.2 -40.2 15.9 -17.2 29.0 329 637 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.965 113.4 43.2 -57.7 -55.2 15.4 -13.9 27.1 330 638 A L H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.954 114.7 49.9 -58.0 -49.5 19.0 -13.0 27.3 331 639 A Y H X S+ 0 0 89 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.867 110.2 50.1 -59.7 -41.5 20.2 -16.5 26.4 332 640 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -93,-0.3 -1,-0.2 0.959 112.3 45.7 -63.3 -54.3 17.9 -16.8 23.4 333 641 A F H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-0.3 0.862 114.3 49.5 -56.1 -41.7 18.9 -13.5 21.8 334 642 A Q H ><5S+ 0 0 79 -4,-2.4 3,-0.9 -5,-0.3 -1,-0.2 0.913 110.0 49.7 -66.6 -39.7 22.6 -14.1 22.4 335 643 A S H 3<5S+ 0 0 50 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 114.1 44.8 -70.1 -31.5 22.5 -17.6 20.8 336 644 A D T 3<5S- 0 0 62 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.385 114.0-122.4 -89.0 -1.1 20.7 -16.3 17.7 337 645 A K T < 5 + 0 0 158 -3,-0.9 2,-0.5 -4,-0.3 -3,-0.2 0.809 60.6 146.0 62.1 33.8 23.1 -13.4 17.6 338 646 A V < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -192,-0.2 -0.865 57.8-104.0 -94.9 131.7 20.5 -10.7 17.8 339 647 A T + 0 0 41 -194,-2.2 -59,-0.5 -2,-0.5 2,-0.3 -0.318 53.8 154.6 -60.4 134.9 21.9 -7.7 19.8 340 648 A I - 0 0 23 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.974 27.2-148.7-155.0 152.0 20.6 -7.3 23.4 341 649 A V B -o 281 0J 31 -61,-2.1 -59,-3.2 -2,-0.3 -58,-0.2 -0.976 13.7-134.7-124.2 142.4 21.9 -5.7 26.5 342 650 A D > - 0 0 11 -2,-0.4 4,-2.9 -61,-0.2 5,-0.2 -0.576 28.8-108.7 -87.1 164.8 21.2 -6.8 30.1 343 651 A H H > S+ 0 0 0 2,-0.2 4,-2.2 -2,-0.2 5,-0.3 0.785 115.1 55.7 -66.9 -28.9 20.3 -4.3 32.9 344 652 A H H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.980 115.2 38.1 -64.5 -52.0 23.7 -4.5 34.7 345 653 A S H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.873 116.5 52.6 -63.3 -43.9 25.6 -3.6 31.6 346 654 A A H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.953 114.5 40.6 -61.5 -52.0 22.9 -1.0 30.5 347 655 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.906 111.1 55.8 -66.2 -42.5 22.9 0.9 33.8 348 656 A E H X S+ 0 0 133 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.944 110.7 47.6 -56.1 -42.5 26.7 0.7 34.3 349 657 A S H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.850 107.3 55.0 -62.6 -41.7 26.9 2.4 30.8 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.871 105.7 52.2 -62.6 -34.3 24.4 5.0 31.7 351 659 A I H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.882 109.9 48.7 -68.5 -38.4 26.4 6.1 34.8 352 660 A K H X S+ 0 0 128 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.879 112.2 50.9 -65.5 -31.0 29.6 6.4 32.6 353 661 A H H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.911 106.0 53.5 -77.7 -35.8 27.4 8.5 30.3 354 662 A M H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.954 109.4 49.1 -56.6 -51.9 26.1 10.7 33.1 355 663 A E H X S+ 0 0 80 -4,-2.2 4,-2.9 2,-0.2 3,-0.4 0.962 110.9 48.7 -55.5 -55.1 29.7 11.5 34.1 356 664 A N H X S+ 0 0 53 -4,-2.3 4,-3.8 1,-0.2 5,-0.3 0.906 113.1 48.9 -47.0 -51.4 30.7 12.3 30.5 357 665 A E H X S+ 0 0 7 -4,-2.5 6,-2.0 1,-0.2 4,-1.6 0.797 112.7 46.4 -62.9 -36.8 27.6 14.6 30.2 358 666 A Y H X S+ 0 0 15 -4,-2.7 4,-0.7 -3,-0.4 -1,-0.2 0.874 118.4 44.4 -65.4 -40.6 28.3 16.4 33.5 359 667 A R H < S+ 0 0 178 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.947 127.6 26.0 -68.5 -45.6 31.9 16.8 32.4 360 668 A C H < S+ 0 0 88 -4,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.671 137.6 20.4-101.6 -15.7 31.3 17.9 28.9 361 669 A R H < S- 0 0 48 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.447 99.4-110.7-132.6 -5.9 27.9 19.5 28.9 362 670 A G S < S- 0 0 16 -4,-0.7 -345,-2.7 -5,-0.4 -344,-1.5 0.550 83.7 -2.0 82.7 9.1 27.2 20.5 32.6 363 671 A G - 0 0 0 -6,-2.0 -2,-0.1 -347,-0.2 -347,-0.1 -0.928 54.2-129.2 162.1 178.3 24.5 17.9 33.2 364 672 A C - 0 0 0 -2,-0.3 24,-0.5 24,-0.1 2,-0.2 -0.806 25.5-130.3-160.1 109.2 22.2 15.2 32.1 365 673 A P + 0 0 0 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.447 35.8 175.3 -66.1 131.3 18.4 15.1 32.6 366 674 A A - 0 0 1 22,-2.6 2,-0.9 -2,-0.2 -260,-0.2 -0.997 31.2-148.5-146.5 132.4 17.3 11.8 34.1 367 675 A D >> - 0 0 8 -262,-2.8 4,-2.2 -2,-0.4 3,-1.8 -0.849 13.4-162.8-103.0 97.0 14.0 10.4 35.3 368 676 A W H 3> S+ 0 0 19 -2,-0.9 4,-2.1 1,-0.3 -1,-0.2 0.844 85.0 62.8 -51.8 -38.5 15.0 8.0 38.1 369 677 A V H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.822 114.8 31.8 -59.3 -34.2 11.6 6.2 38.1 370 678 A W H <4 S+ 0 0 108 -3,-1.8 -1,-0.2 -265,-0.1 -2,-0.2 0.750 114.6 58.5 -94.6 -31.4 12.2 5.0 34.5 371 679 A I H < S+ 0 0 2 -4,-2.2 -2,-0.2 -266,-0.1 -3,-0.2 0.834 87.5 81.4 -69.8 -37.4 16.0 4.6 34.5 372 680 A V S < S- 0 0 14 -4,-2.1 5,-0.1 -5,-0.2 6,-0.1 -0.633 92.9-112.4 -73.1 123.1 16.1 2.1 37.4 373 681 A P - 0 0 7 0, 0.0 4,-0.3 0, 0.0 415,-0.2 -0.031 19.6-117.3 -54.6 154.4 15.3 -1.4 35.9 374 682 A P S S+ 0 0 14 0, 0.0 415,-2.3 0, 0.0 416,-0.4 0.349 98.3 47.0 -83.8 11.2 12.1 -3.1 37.0 375 683 A M S S+ 0 0 3 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.986 118.8 4.0-144.8 148.3 14.0 -5.9 38.6 376 684 A S S >> S+ 0 0 5 -2,-0.3 3,-2.1 354,-0.1 4,-0.7 0.734 73.0 167.5 55.1 29.5 16.9 -6.0 41.0 377 685 A G G >4 + 0 0 4 -4,-0.3 3,-1.9 1,-0.3 6,-0.5 0.852 67.2 50.1 -36.5 -58.4 17.0 -2.1 41.2 378 686 A S G 34 S+ 0 0 1 407,-1.7 -1,-0.3 1,-0.3 408,-0.1 0.531 102.8 59.0 -72.6 -8.7 19.3 -1.7 44.1 379 687 A I G <4 S+ 0 0 16 -3,-2.1 -1,-0.3 406,-0.3 -2,-0.2 0.541 94.9 77.4 -95.8 -5.7 22.1 -4.0 42.8 380 688 A T S X< S- 0 0 1 -3,-1.9 3,-1.0 -4,-0.7 4,-0.4 -0.763 88.8-124.8 -94.5 147.9 22.4 -1.8 39.7 381 689 A P G >> S+ 0 0 30 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.790 102.6 71.3 -69.7 -26.7 24.3 1.5 40.1 382 690 A V G >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 -10,-0.1 0.864 88.8 67.6 -55.2 -31.4 21.6 3.8 38.8 383 691 A F G <4 S+ 0 0 34 -3,-1.0 -1,-0.2 -6,-0.5 -5,-0.1 0.811 103.0 40.9 -55.1 -40.9 19.7 3.0 42.1 384 692 A H G <4 S+ 0 0 16 -3,-1.1 -376,-2.7 -4,-0.4 2,-0.6 0.440 96.9 99.1 -91.3 -4.7 22.2 4.8 44.3 385 693 A Q B << -B 7 0B 7 -3,-1.3 -378,-0.2 -4,-0.6 2,-0.1 -0.770 69.1-137.3 -93.0 115.2 22.6 7.8 41.9 386 694 A E - 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