==== 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 04-SEP-02 1MMV . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR L.E.BRETSCHER,H.LI,T.L.POULOS,O.W.GRIFFITH . 818 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 66.3 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 . 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 . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.3 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 0 3 1 0 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 0 229 0, 0.0 2,-0.7 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 160.4 21.1 27.9 41.0 2 300 A F - 0 0 142 17,-0.1 2,-0.3 18,-0.0 15,-0.2 -0.882 360.0-159.8-101.9 115.4 23.7 25.2 40.7 3 301 A L E -A 16 0A 36 13,-1.4 13,-3.7 -2,-0.7 2,-0.3 -0.650 2.6-146.0 -95.6 150.7 22.4 21.8 41.8 4 302 A K E -A 15 0A 133 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.873 4.8-157.4-117.1 150.0 24.5 18.8 42.9 5 303 A V E -A 14 0A 0 9,-3.1 9,-3.0 -2,-0.3 2,-0.4 -0.990 9.1-161.7-128.2 133.4 23.9 15.1 42.4 6 304 A K E -A 13 0A 51 -2,-0.4 380,-2.1 7,-0.2 2,-0.7 -0.891 16.3-145.2-119.2 144.6 25.4 12.3 44.5 7 305 A N B > -B 385 0B 5 5,-2.2 4,-2.1 -2,-0.4 3,-0.4 -0.935 13.9-155.5-103.8 113.3 25.9 8.6 43.9 8 306 A W T 4 S+ 0 0 81 376,-2.4 377,-0.1 -2,-0.7 -1,-0.1 0.346 89.0 53.4 -74.1 8.9 25.5 7.0 47.4 9 307 A E T 4 S+ 0 0 44 375,-0.3 -1,-0.2 372,-0.1 376,-0.1 0.704 124.7 19.9-109.2 -34.4 27.6 3.9 46.4 10 308 A T T 4 S- 0 0 75 -3,-0.4 -2,-0.2 374,-0.2 3,-0.1 0.400 93.3-131.1-115.0 -2.6 30.7 5.7 45.1 11 309 A D < + 0 0 109 -4,-2.1 -3,-0.1 1,-0.2 0, 0.0 0.384 53.3 153.3 65.7 -4.4 30.2 9.0 46.9 12 310 A V - 0 0 56 -5,-0.2 -5,-2.2 -6,-0.1 2,-0.4 -0.290 29.2-157.4 -56.8 134.7 30.9 10.7 43.5 13 311 A V E -A 6 0A 76 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.965 7.7-168.4-120.0 134.5 29.2 14.1 43.3 14 312 A L E -A 5 0A 28 -9,-3.0 -9,-3.1 -2,-0.4 2,-0.4 -0.941 15.2-136.7-121.4 143.5 28.4 15.9 40.0 15 313 A T E -A 4 0A 57 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.850 15.5-149.5-102.1 135.9 27.3 19.5 39.6 16 314 A D E +A 3 0A 0 -13,-3.7 -13,-1.4 -2,-0.4 347,-0.2 -0.908 36.6 146.7-111.5 122.7 24.5 20.3 37.2 17 315 A T > + 0 0 53 345,-2.7 3,-2.0 -2,-0.5 346,-0.2 0.540 62.4 82.4-119.2 -22.1 24.2 23.6 35.3 18 316 A L G > S+ 0 0 9 344,-2.3 3,-1.9 1,-0.3 345,-0.2 0.810 81.1 67.5 -54.9 -32.8 22.6 22.2 32.2 19 317 A H G > S+ 0 0 21 343,-0.3 3,-2.2 1,-0.3 -1,-0.3 0.772 82.8 73.3 -61.6 -25.7 19.2 22.4 33.9 20 318 A L G < S+ 0 0 88 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.535 93.4 56.7 -66.6 -3.7 19.4 26.2 33.9 21 319 A K G < S+ 0 0 162 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.197 79.5 126.4-110.6 12.9 18.7 25.9 30.2 22 320 A S < + 0 0 24 -3,-2.2 370,-0.2 1,-0.1 3,-0.1 -0.360 30.6 175.4 -69.4 152.0 15.5 24.0 30.7 23 321 A T + 0 0 61 368,-1.6 -1,-0.1 2,-0.1 369,-0.1 0.686 51.7 64.3-123.7 -56.9 12.4 25.5 29.0 24 322 A L S S- 0 0 57 367,-0.5 367,-0.4 1,-0.1 2,-0.1 -0.222 84.6-102.7 -70.8 163.8 9.3 23.3 29.4 25 323 A E - 0 0 124 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.411 14.5-143.8 -85.0 163.2 7.6 22.5 32.7 26 324 A T - 0 0 22 413,-1.8 414,-0.1 2,-0.3 3,-0.1 0.608 37.0-115.5-102.5 -17.2 8.0 19.3 34.7 27 325 A G S S+ 0 0 28 1,-0.4 2,-0.2 412,-0.4 412,-0.1 0.320 84.2 106.2 96.2 -8.6 4.5 18.9 36.2 28 326 A C - 0 0 4 410,-0.4 -1,-0.4 5,-0.1 -2,-0.3 -0.580 47.4-172.4-100.1 165.5 6.0 19.3 39.7 29 327 A T - 0 0 39 3,-2.9 408,-0.4 -2,-0.2 3,-0.2 -0.880 44.8 -91.6-145.8 176.1 5.8 22.2 42.0 30 328 A E S S+ 0 0 74 -2,-0.3 405,-1.4 1,-0.2 406,-0.3 0.737 127.9 42.1 -65.2 -21.4 7.3 23.4 45.3 31 329 A H S S+ 0 0 91 1,-0.2 2,-0.3 403,-0.2 770,-0.3 0.653 121.3 29.1 -99.9 -19.5 4.3 21.7 47.0 32 330 A I - 0 0 11 -3,-0.2 -3,-2.9 768,-0.1 2,-0.5 -0.987 57.8-150.4-150.5 137.9 4.0 18.5 45.1 33 331 A C B -C 799 0C 11 766,-2.5 766,-1.9 -2,-0.3 3,-0.2 -0.908 9.4-179.0-105.8 126.4 6.2 16.1 43.2 34 332 A M > + 0 0 27 -2,-0.5 3,-2.2 764,-0.2 -1,-0.1 -0.067 35.7 134.4-112.5 30.8 4.6 14.2 40.3 35 333 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 764,-0.1 334,-0.1 0.752 71.9 48.6 -51.5 -29.9 7.7 12.2 39.4 36 334 A S T 3 S+ 0 0 20 761,-0.4 2,-0.5 -3,-0.2 -1,-0.3 0.356 80.4 113.1 -96.7 6.8 5.8 8.9 39.1 37 335 A I < - 0 0 10 -3,-2.2 -3,-0.1 1,-0.1 377,-0.0 -0.677 64.3-141.4 -80.2 126.9 3.0 10.2 36.9 38 336 A M S S+ 0 0 64 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.840 90.1 5.8 -56.6 -36.8 3.3 8.5 33.5 39 337 A L 0 0 97 -3,-0.0 -1,-0.3 -12,-0.0 -12,-0.1 -0.646 360.0 360.0-154.1 90.2 2.3 11.7 31.7 40 338 A P 0 0 93 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.175 360.0 360.0 -55.5 360.0 1.8 15.0 33.6 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 0 106 0, 0.0 4,-2.9 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 144.9 2.1 30.8 15.8 43 351 A K H 3> + 0 0 85 1,-0.3 4,-2.0 2,-0.2 38,-0.1 0.880 360.0 53.9 -54.7 -40.9 4.8 32.8 13.9 44 352 A D H 34 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.817 113.9 42.9 -63.3 -30.5 5.5 34.8 17.1 45 353 A Q H <> S+ 0 0 119 -3,-0.8 4,-1.2 2,-0.1 -2,-0.2 0.833 111.2 56.3 -83.2 -35.7 6.0 31.5 18.9 46 354 A L H X S+ 0 0 19 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.925 99.2 52.9 -66.6 -51.5 8.0 29.8 16.2 47 355 A F H X S+ 0 0 39 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.854 106.1 54.1 -58.9 -35.8 11.0 32.2 15.6 48 356 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.963 113.5 43.6 -61.6 -45.7 11.9 32.2 19.3 49 357 A L H X S+ 0 0 63 -4,-1.2 4,-2.5 2,-0.2 219,-0.2 0.922 114.0 49.7 -62.7 -45.8 12.1 28.4 19.2 50 358 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 217,-0.2 5,-0.2 0.916 111.6 49.6 -60.4 -43.0 13.9 28.4 15.9 51 359 A K H X S+ 0 0 86 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.920 109.1 51.3 -62.0 -46.3 16.4 30.9 17.2 52 360 A E H X S+ 0 0 68 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.947 114.6 44.4 -55.9 -49.3 17.0 28.9 20.4 53 361 A F H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.961 112.9 48.3 -61.1 -55.0 17.7 25.8 18.3 54 362 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.858 108.8 56.4 -56.2 -35.9 19.9 27.5 15.6 55 363 A D H X S+ 0 0 29 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 110.1 43.0 -63.2 -45.3 21.9 29.1 18.4 56 364 A Q H X S+ 0 0 48 -4,-1.8 4,-2.5 -3,-0.2 -2,-0.2 0.891 113.6 54.3 -68.8 -35.5 22.7 25.8 20.0 57 365 A Y H X S+ 0 0 26 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.983 112.0 41.2 -60.5 -58.1 23.4 24.3 16.6 58 366 A Y H <>S+ 0 0 27 -4,-3.0 5,-3.1 1,-0.2 6,-0.4 0.832 113.1 55.4 -61.2 -30.2 25.9 26.9 15.6 59 367 A S H ><5S+ 0 0 67 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 0.931 105.1 53.1 -66.9 -41.7 27.4 26.8 19.0 60 368 A S H 3<5S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.8 47.8 -63.8 -28.4 27.9 23.0 18.7 61 369 A I T 3<5S- 0 0 68 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.275 117.3-112.8 -95.9 11.4 29.8 23.5 15.4 62 370 A K T < 5S+ 0 0 186 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.849 91.0 107.4 62.5 37.7 32.0 26.2 16.9 63 371 A R > < + 0 0 143 -5,-3.1 3,-1.9 -6,-0.1 6,-0.4 -0.057 39.1 154.7-131.8 29.5 30.5 29.0 14.7 64 372 A F T 3 S+ 0 0 130 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.424 74.8 5.9 -63.9 126.7 28.4 30.8 17.3 65 373 A G T 3 S+ 0 0 51 -2,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.625 98.3 137.9 76.6 12.1 27.9 34.4 16.3 66 374 A S S <> S- 0 0 29 -3,-1.9 4,-2.5 1,-0.1 -1,-0.2 -0.262 70.3-105.8 -81.2 174.9 29.5 33.9 12.9 67 375 A K H > S+ 0 0 153 2,-0.2 4,-4.2 1,-0.2 5,-0.3 0.936 123.1 53.0 -66.8 -46.1 28.2 35.4 9.7 68 376 A A H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 110.2 48.8 -53.4 -45.6 26.9 32.0 8.6 69 377 A H H > S+ 0 0 3 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.968 116.1 42.8 -57.9 -54.2 25.1 31.7 12.0 70 378 A M H X S+ 0 0 91 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 113.2 51.1 -60.5 -45.6 23.6 35.2 11.5 71 379 A D H X S+ 0 0 76 -4,-4.2 4,-3.1 2,-0.2 -1,-0.2 0.958 111.5 48.1 -57.8 -51.6 22.7 34.7 7.9 72 380 A R H X S+ 0 0 10 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.920 109.9 52.2 -55.0 -47.1 20.9 31.5 8.6 73 381 A L H X S+ 0 0 17 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.877 113.2 45.3 -58.5 -38.1 19.1 33.1 11.5 74 382 A E H X S+ 0 0 96 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.908 111.4 51.9 -72.0 -43.0 18.0 35.9 9.2 75 383 A E H X S+ 0 0 90 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.931 113.3 43.7 -58.3 -49.0 17.0 33.5 6.4 76 384 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.914 112.0 54.8 -63.2 -43.2 14.8 31.4 8.7 77 385 A N H X S+ 0 0 56 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.931 111.8 43.0 -55.9 -48.3 13.4 34.5 10.2 78 386 A K H X S+ 0 0 136 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.837 112.5 54.4 -67.8 -32.1 12.4 35.8 6.7 79 387 A E H X S+ 0 0 51 -4,-2.2 4,-3.8 -5,-0.2 6,-0.6 0.904 109.5 46.4 -68.6 -41.5 11.1 32.3 5.8 80 388 A I H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.945 110.5 51.8 -64.8 -50.0 8.8 32.1 8.8 81 389 A E H < S+ 0 0 121 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.774 122.0 34.3 -58.0 -26.9 7.5 35.6 8.3 82 390 A S H < S+ 0 0 98 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.855 133.4 23.5 -96.5 -44.1 6.7 34.7 4.7 83 391 A T H < S- 0 0 65 -4,-3.8 -3,-0.2 2,-0.4 -2,-0.2 0.345 95.1-124.6-106.2 4.1 5.7 31.0 4.9 84 392 A S S < S+ 0 0 70 -4,-2.7 2,-0.3 -5,-0.3 -4,-0.2 0.714 90.1 34.6 58.4 21.2 4.7 30.9 8.6 85 393 A T S S- 0 0 34 -6,-0.6 -2,-0.4 -9,-0.1 2,-0.3 -0.954 74.2-137.2-177.4-178.2 7.2 28.1 9.0 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.966 14.0-116.4-154.1 169.3 10.6 26.9 7.7 87 395 A Q - 0 0 96 -2,-0.3 2,-0.2 182,-0.0 -8,-0.0 -0.926 28.0-126.8-114.7 137.7 12.6 23.9 6.6 88 396 A L - 0 0 6 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.537 23.5-116.6 -81.1 145.5 15.6 22.5 8.4 89 397 A K > - 0 0 99 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.442 34.1-108.0 -72.4 156.8 18.9 22.0 6.5 90 398 A D H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 121.6 53.2 -54.5 -39.9 19.9 18.3 6.5 91 399 A T H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 108.9 47.8 -63.6 -38.3 22.6 19.1 9.0 92 400 A E H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.823 110.1 53.9 -72.3 -32.3 20.2 20.7 11.4 93 401 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.939 110.7 44.7 -66.7 -49.0 17.8 17.8 11.0 94 402 A I H X S+ 0 0 69 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.936 114.5 49.0 -61.1 -47.5 20.4 15.2 11.9 95 403 A Y H X S+ 0 0 29 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.883 112.4 50.3 -59.6 -40.1 21.7 17.4 14.8 96 404 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.963 111.1 45.3 -64.7 -52.9 18.1 17.7 16.0 97 405 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.928 113.7 50.0 -57.0 -48.0 17.2 14.1 16.0 98 406 A K H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 114.0 45.8 -59.5 -38.7 20.4 13.1 17.7 99 407 A H H X S+ 0 0 10 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.778 104.0 59.8 -77.2 -26.7 19.8 15.7 20.4 100 408 A A H < S+ 0 0 0 -4,-2.3 296,-0.4 2,-0.2 4,-0.4 0.918 111.4 43.8 -64.9 -37.5 16.2 14.8 20.9 101 409 A W H >< S+ 0 0 35 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.946 110.1 54.9 -69.0 -46.7 17.6 11.3 21.8 102 410 A R H 3< S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 111.4 46.2 -54.7 -33.4 20.4 12.9 23.9 103 411 A N T 3< S+ 0 0 9 -4,-2.1 2,-1.7 291,-0.2 289,-0.4 0.453 76.6 117.5 -91.4 -2.3 17.7 14.7 25.8 104 412 A A X - 0 0 29 -3,-1.7 3,-2.5 -4,-0.4 6,-0.1 -0.492 47.3-167.2 -70.3 90.2 15.3 11.8 26.4 105 413 A S T 3 S+ 0 0 19 -2,-1.7 262,-3.3 1,-0.3 -1,-0.2 0.639 82.3 54.9 -55.1 -18.0 15.5 11.7 30.2 106 414 A R T 3 S+ 0 0 53 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.456 84.7 98.9 -96.5 -0.9 13.8 8.3 30.3 107 415 A C X - 0 0 38 -3,-2.5 3,-0.6 -6,-0.2 264,-0.1 -0.781 48.2-171.5 -93.6 122.2 16.2 6.5 28.0 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.3 1,-0.2 -1,-0.1 0.607 80.9 63.3 -83.5 -12.4 18.9 4.4 29.7 109 417 A G T > + 0 0 28 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.088 60.3 118.8-103.0 28.2 20.8 3.8 26.4 110 418 A R G X + 0 0 0 -3,-0.6 3,-2.0 1,-0.3 4,-0.2 0.495 51.2 86.7 -71.1 -3.8 21.8 7.3 25.5 111 419 A I G 3 S+ 0 0 45 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.778 92.2 53.0 -64.9 -18.7 25.5 6.6 25.7 112 420 A Q G X S+ 0 0 51 -3,-1.5 3,-2.0 1,-0.2 -1,-0.3 0.376 76.7 114.8 -92.6 1.2 24.8 5.6 22.0 113 421 A W T < S+ 0 0 41 -3,-2.0 -1,-0.2 1,-0.3 -11,-0.1 0.777 70.5 51.8 -45.6 -43.6 23.1 8.9 21.2 114 422 A S T 3 S+ 0 0 55 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.687 96.4 74.0 -72.4 -16.1 25.7 10.2 18.6 115 423 A K < + 0 0 121 -3,-2.0 2,-0.4 -17,-0.1 34,-0.3 -0.686 66.2 132.5 -99.0 79.8 25.5 7.0 16.6 116 424 A L - 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0 0 33 -5,-1.0 2,-0.9 9,-0.0 -1,-0.2 -0.808 55.6 -90.2-109.0 152.4 7.9 -24.3 43.3 309 617 A D + 0 0 49 -2,-0.3 3,-0.3 1,-0.2 8,-0.3 -0.433 44.5 171.3 -63.7 101.1 5.6 -23.6 46.3 310 618 A M + 0 0 51 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.250 57.9 93.2 -92.9 10.5 3.2 -21.0 45.0 311 619 A R S S+ 0 0 223 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.928 89.4 33.5 -68.6 -46.7 1.2 -21.5 48.2 312 620 A K > - 0 0 83 -3,-0.3 3,-1.7 1,-0.1 5,-0.4 -0.939 69.4-141.9-117.5 133.5 2.9 -18.7 50.1 313 621 A T G > S+ 0 0 52 -2,-0.4 3,-2.2 1,-0.3 5,-0.2 0.836 97.1 71.5 -58.3 -33.4 4.2 -15.4 48.6 314 622 A S G 3 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.1 427,-0.1 0.462 79.9 71.6 -65.8 -2.2 7.2 -15.6 51.0 315 623 A S G < S- 0 0 23 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.620 100.2-137.4 -84.4 -12.4 8.7 -18.5 49.1 316 624 A L <> + 0 0 0 -3,-2.2 4,-2.3 -4,-0.2 5,-0.2 0.862 49.2 153.5 59.9 40.1 9.4 -15.8 46.5 317 625 A W H > S+ 0 0 18 -5,-0.4 4,-3.2 -8,-0.3 5,-0.2 0.865 70.3 56.1 -66.2 -35.9 8.4 -18.1 43.6 318 626 A K H > S+ 0 0 74 -5,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 110.2 46.3 -61.8 -39.7 7.5 -15.1 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 113.9 46.4 -69.1 -44.4 11.0 -13.8 42.0 320 628 A Q H X S+ 0 0 48 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.949 114.8 47.3 -62.9 -47.9 12.7 -17.1 41.2 321 629 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.832 109.1 56.8 -61.6 -33.9 10.5 -17.6 38.2 322 630 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.2 5,-0.2 0.960 104.5 49.7 -64.0 -51.7 11.2 -14.0 37.1 323 631 A V H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.938 112.0 48.0 -52.8 -51.9 15.0 -14.4 37.1 324 632 A E H X S+ 0 0 21 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.889 108.3 54.3 -57.2 -43.7 14.8 -17.6 34.9 325 633 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.875 112.9 43.9 -59.7 -36.8 12.4 -16.0 32.5 326 634 A N H X S+ 0 0 1 -4,-2.0 4,-1.7 -3,-0.3 -1,-0.2 0.751 108.5 56.2 -80.4 -24.7 14.9 -13.2 32.0 327 635 A I H X S+ 0 0 13 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.878 109.2 49.8 -70.5 -36.3 17.8 -15.6 31.8 328 636 A A H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 -89,-0.4 0.920 106.9 52.0 -66.6 -49.6 16.0 -17.3 28.9 329 637 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.951 114.8 42.5 -53.4 -53.4 15.2 -14.1 26.9 330 638 A L H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.920 114.3 52.2 -60.8 -44.1 18.9 -13.0 27.0 331 639 A Y H X S+ 0 0 92 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 110.8 46.8 -57.8 -50.6 20.0 -16.6 26.3 332 640 A S H X S+ 0 0 0 -4,-3.4 4,-2.4 -93,-0.3 3,-0.4 0.980 113.5 46.4 -56.2 -61.8 17.8 -16.9 23.3 333 641 A F H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.3 -1,-0.2 0.884 114.4 48.1 -48.1 -48.3 18.7 -13.5 21.7 334 642 A Q H ><5S+ 0 0 82 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.3 0.859 109.8 53.0 -64.2 -35.6 22.4 -14.1 22.3 335 643 A S H 3<5S+ 0 0 50 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.924 110.5 46.1 -66.3 -43.4 22.1 -17.6 20.8 336 644 A D T 3<5S- 0 0 60 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.343 115.3-118.1 -80.5 6.9 20.5 -16.3 17.6 337 645 A K T < 5 + 0 0 179 -3,-0.9 2,-0.5 -5,-0.2 -3,-0.2 0.768 63.3 148.6 61.9 28.2 23.1 -13.5 17.4 338 646 A V < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -192,-0.2 -0.826 54.7-104.9 -95.3 129.7 20.5 -10.8 17.8 339 647 A T + 0 0 37 -194,-2.9 -59,-0.5 -2,-0.5 2,-0.3 -0.181 56.0 146.7 -53.3 138.4 21.7 -7.6 19.6 340 648 A I - 0 0 24 -61,-0.1 2,-0.4 -193,-0.1 -59,-0.2 -0.925 31.3-146.0-170.6 147.0 20.4 -7.3 23.2 341 649 A V B -o 281 0J 31 -61,-2.3 -59,-3.2 -2,-0.3 -58,-0.2 -0.966 14.3-131.2-126.7 140.4 21.7 -5.8 26.5 342 650 A D > - 0 0 12 -2,-0.4 4,-2.6 -61,-0.2 5,-0.2 -0.513 30.0-110.9 -83.2 158.0 21.1 -7.0 30.1 343 651 A H H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.754 115.2 56.2 -60.5 -28.1 20.1 -4.5 32.7 344 652 A H H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.986 112.7 39.9 -67.8 -55.3 23.5 -4.7 34.6 345 653 A S H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.890 115.9 51.6 -58.9 -43.8 25.5 -3.8 31.5 346 654 A A H X S+ 0 0 10 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.886 111.5 45.5 -63.1 -42.3 23.0 -1.1 30.3 347 655 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.871 110.3 54.2 -71.4 -35.8 22.9 0.7 33.6 348 656 A E H X S+ 0 0 134 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.916 109.9 48.4 -62.8 -41.7 26.7 0.6 34.0 349 657 A S H X S+ 0 0 42 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.920 108.9 53.1 -63.7 -44.3 26.9 2.2 30.5 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.901 105.7 53.3 -59.1 -41.9 24.4 4.9 31.5 351 659 A I H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.944 111.6 46.2 -57.8 -46.4 26.4 5.8 34.6 352 660 A K H X S+ 0 0 128 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.933 112.5 49.8 -60.8 -47.3 29.4 6.3 32.4 353 661 A H H X S+ 0 0 5 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.909 108.6 54.2 -57.6 -43.1 27.4 8.3 29.9 354 662 A M H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.933 108.7 47.3 -57.4 -48.5 26.1 10.4 32.8 355 663 A E H X S+ 0 0 71 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.891 113.3 49.1 -61.8 -39.7 29.6 11.2 33.9 356 664 A N H X S+ 0 0 44 -4,-2.4 4,-1.5 2,-0.2 5,-0.3 0.960 112.5 47.7 -63.7 -50.6 30.6 12.1 30.4 357 665 A E H X>S+ 0 0 8 -4,-3.2 4,-2.9 1,-0.2 6,-1.1 0.893 109.2 53.7 -57.5 -44.1 27.6 14.3 29.9 358 666 A Y H X5S+ 0 0 15 -4,-2.9 4,-0.6 4,-0.3 -1,-0.2 0.895 113.9 40.9 -61.0 -39.8 28.2 16.1 33.2 359 667 A R H <5S+ 0 0 180 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.657 126.3 33.8 -84.5 -14.3 31.8 17.0 32.3 360 668 A C H <5S+ 0 0 92 -4,-1.5 -2,-0.2 -3,-0.2 -3,-0.2 0.679 136.3 18.6-110.9 -20.3 31.1 17.9 28.7 361 669 A R H <5S- 0 0 52 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.481 100.9-114.1-125.7 -19.6 27.6 19.4 28.8 362 670 A G S <> - 0 0 9 -262,-3.3 4,-2.5 -2,-0.4 3,-1.3 -0.825 13.2-166.8-100.8 96.5 14.1 10.2 35.1 368 676 A W H 3> S+ 0 0 18 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.854 84.9 61.0 -48.9 -45.6 15.1 7.8 37.9 369 677 A V H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.826 116.5 31.8 -53.7 -36.7 11.6 6.2 38.0 370 678 A W H <4 S+ 0 0 111 -3,-1.3 -1,-0.2 -265,-0.1 -2,-0.2 0.730 114.6 59.2 -93.8 -27.8 12.1 5.0 34.4 371 679 A I H < S+ 0 0 2 -4,-2.5 -2,-0.2 -266,-0.1 -3,-0.2 0.877 86.5 82.7 -71.1 -39.5 15.9 4.5 34.4 372 680 A V S < S- 0 0 14 -4,-2.3 5,-0.1 -5,-0.2 6,-0.1 -0.526 90.6-111.9 -70.8 124.8 16.0 1.9 37.2 373 681 A P - 0 0 6 0, 0.0 414,-0.2 0, 0.0 4,-0.2 -0.140 20.0-115.7 -55.2 152.1 15.2 -1.6 35.8 374 682 A P S S+ 0 0 14 0, 0.0 414,-2.3 0, 0.0 415,-0.4 0.402 99.4 41.1 -69.6 -1.8 11.9 -3.4 36.8 375 683 A M S S+ 0 0 4 411,-0.2 410,-0.1 412,-0.2 -92,-0.1 -0.983 117.5 10.9-145.6 152.7 13.9 -6.1 38.5 376 684 A S S > S+ 0 0 5 -2,-0.3 3,-2.0 353,-0.1 4,-0.5 0.760 72.2 170.3 51.1 30.5 17.0 -6.2 40.8 377 685 A G G > + 0 0 6 1,-0.3 3,-1.5 406,-0.2 6,-0.5 0.835 67.5 43.8 -36.2 -60.8 16.8 -2.4 41.1 378 686 A S G 3 S+ 0 0 2 406,-1.9 -1,-0.3 1,-0.3 407,-0.1 0.527 103.1 63.8 -73.0 -6.9 19.4 -1.8 43.8 379 687 A I G < S+ 0 0 14 -3,-2.0 -1,-0.3 405,-0.4 -2,-0.2 0.440 93.1 76.2 -93.9 2.4 22.0 -4.2 42.5 380 688 A T S X S- 0 0 0 -3,-1.5 3,-0.8 -4,-0.5 4,-0.4 -0.830 89.3-124.8-104.4 148.8 22.3 -2.0 39.4 381 689 A P G > S+ 0 0 33 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.810 101.9 68.4 -64.4 -33.9 24.3 1.3 39.9 382 690 A V G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 -10,-0.1 0.805 89.0 67.6 -58.9 -27.7 21.6 3.7 38.7 383 691 A F G < S+ 0 0 33 -3,-0.8 -1,-0.3 -6,-0.5 -5,-0.1 0.895 103.9 42.8 -58.4 -39.9 19.6 2.8 41.8 384 692 A H G < S+ 0 0 12 -3,-1.1 -376,-2.4 -4,-0.4 2,-0.6 0.377 97.1 98.6 -89.0 5.5 22.2 4.5 44.0 385 693 A Q B < -B 7 0B 6 -3,-1.4 -378,-0.2 -4,-0.3 2,-0.1 -0.834 68.8-139.7-100.5 115.1 22.5 7.5 41.6 386 694 A E - 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