==== 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 24-JUN-10 3NNZ . 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) . 35310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.2 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 . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.5 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 6 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 2 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 . 8 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 0 213 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -31.0 20.8 27.9 40.9 2 300 A F - 0 0 147 17,-0.1 2,-0.4 18,-0.0 15,-0.2 -0.908 360.0-154.2 -97.5 127.9 23.7 25.4 40.5 3 301 A L E -A 16 0A 40 13,-2.2 13,-4.5 -2,-0.5 2,-0.4 -0.833 6.8-146.6-115.3 138.1 22.5 22.0 41.6 4 302 A K E -A 15 0A 138 -2,-0.4 2,-0.4 11,-0.3 11,-0.2 -0.801 7.1-166.4-102.7 140.4 24.4 19.0 43.0 5 303 A V E -A 14 0A 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.4 -0.996 12.0-156.8-121.1 136.0 23.6 15.3 42.4 6 304 A K E -A 13 0A 57 -2,-0.4 380,-2.3 7,-0.2 2,-0.6 -0.877 15.1-143.4-112.9 139.8 25.2 12.7 44.5 7 305 A N B > -B 385 0B 4 5,-2.3 4,-1.9 -2,-0.4 378,-0.2 -0.929 14.5-159.5 -93.5 122.3 25.9 9.0 43.9 8 306 A W T 4 S+ 0 0 89 376,-2.9 377,-0.1 -2,-0.6 -1,-0.1 0.633 87.5 51.5 -82.1 -14.5 25.4 7.3 47.3 9 307 A E T 4 S+ 0 0 46 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.818 126.7 21.6 -83.1 -39.5 27.4 4.2 46.5 10 308 A T T 4 S- 0 0 74 374,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.511 91.8-130.6-110.3 -8.6 30.5 6.1 45.2 11 309 A D < + 0 0 106 -4,-1.9 2,-0.3 1,-0.2 -3,-0.1 0.432 53.7 152.5 64.3 1.9 30.1 9.5 46.9 12 310 A V - 0 0 61 -5,-0.1 -5,-2.3 -6,-0.1 2,-0.5 -0.463 29.6-159.2 -63.8 122.2 30.8 11.1 43.5 13 311 A V E -A 6 0A 75 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.930 7.4-169.7-107.1 128.0 29.1 14.5 43.4 14 312 A L E -A 5 0A 30 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.5 -0.878 15.6-135.3-114.8 150.2 28.3 16.2 40.0 15 313 A T E -A 4 0A 66 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.922 14.6-150.9-110.7 126.4 27.1 19.8 39.5 16 314 A D E +A 3 0A 0 -13,-4.5 -13,-2.2 -2,-0.5 347,-0.2 -0.851 35.7 146.9-103.7 122.3 24.2 20.5 37.2 17 315 A T > + 0 0 58 345,-2.3 3,-1.5 -2,-0.6 4,-0.3 0.415 61.1 83.4-117.9 -11.5 23.9 23.8 35.3 18 316 A L G > S+ 0 0 6 344,-1.6 3,-2.3 1,-0.3 4,-0.4 0.855 77.7 71.2 -66.8 -28.9 22.3 22.4 32.2 19 317 A H G > S+ 0 0 21 1,-0.3 3,-1.2 343,-0.3 -1,-0.3 0.742 84.0 69.0 -56.5 -26.7 18.9 22.6 33.9 20 318 A L G < S+ 0 0 65 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.677 93.4 57.6 -70.5 -16.7 19.0 26.4 33.7 21 319 A K G < S+ 0 0 147 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.680 84.4 112.9 -81.5 -17.9 18.6 26.1 29.9 22 320 A S < + 0 0 15 -3,-1.2 370,-0.2 -4,-0.4 418,-0.0 -0.184 35.8 169.5 -60.2 147.1 15.4 24.2 30.4 23 321 A T + 0 0 69 368,-1.0 -1,-0.1 2,-0.1 369,-0.1 0.738 46.2 75.6-127.1 -51.9 12.2 25.9 29.3 24 322 A L S S- 0 0 60 367,-0.4 367,-0.5 1,-0.1 2,-0.2 -0.174 83.5 -96.6 -68.4 162.5 9.1 23.5 29.3 25 323 A E - 0 0 136 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.589 16.3-152.1 -95.0 147.0 7.3 22.5 32.5 26 324 A T - 0 0 20 413,-3.2 414,-0.1 -2,-0.2 413,-0.1 0.688 39.4-115.8 -86.5 -23.5 7.8 19.3 34.6 27 325 A G S S+ 0 0 29 1,-0.4 412,-0.1 412,-0.3 2,-0.1 0.049 81.9 108.8 100.2 -22.4 4.4 18.9 36.2 28 326 A C - 0 0 3 410,-0.4 -1,-0.4 411,-0.1 2,-0.3 -0.408 46.8-168.9 -83.0 160.4 5.8 19.4 39.7 29 327 A T - 0 0 48 3,-2.9 408,-0.4 -2,-0.1 406,-0.2 -0.852 43.1 -95.5-131.9 177.5 5.4 22.4 42.0 30 328 A E S S+ 0 0 73 -2,-0.3 405,-3.4 1,-0.2 406,-0.3 0.802 127.3 42.2 -59.6 -28.7 7.0 23.6 45.2 31 329 A H S S+ 0 0 88 403,-0.2 771,-0.4 1,-0.2 2,-0.4 0.687 119.7 33.6 -93.6 -23.1 4.1 21.9 47.0 32 330 A I - 0 0 9 -3,-0.1 -3,-2.9 769,-0.1 2,-0.6 -0.995 61.6-145.8-143.9 133.0 3.7 18.6 45.1 33 331 A C B -C 800 0C 10 767,-3.1 767,-2.0 -2,-0.4 3,-0.2 -0.877 11.5-179.2-100.5 126.9 6.0 16.2 43.3 34 332 A M > + 0 0 24 -2,-0.6 3,-2.4 765,-0.2 -1,-0.1 0.093 39.3 129.6-108.3 18.4 4.6 14.5 40.2 35 333 A G T 3 S+ 0 0 19 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.701 74.5 44.3 -45.1 -31.7 7.7 12.4 39.6 36 334 A S T 3 S+ 0 0 16 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.355 82.4 110.5-103.7 8.3 5.7 9.2 39.3 37 335 A I < - 0 0 13 -3,-2.4 -3,-0.1 1,-0.1 377,-0.0 -0.694 59.9-148.4 -80.1 128.7 2.9 10.4 37.0 38 336 A M S S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.913 91.4 23.3 -65.3 -42.1 3.2 8.8 33.6 39 337 A L 0 0 103 -3,-0.1 -1,-0.3 -12,-0.0 -12,-0.0 -0.782 360.0 360.0-125.9 83.4 1.7 11.7 31.7 40 338 A P 0 0 92 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.266 360.0 360.0 -80.4 360.0 2.0 14.9 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 0 118 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 172.1 1.6 31.0 15.2 43 351 A K H > + 0 0 86 1,-0.2 4,-1.6 2,-0.2 37,-0.1 0.753 360.0 60.3 -63.7 -29.1 4.5 32.9 13.7 44 352 A D H 4 S+ 0 0 139 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.849 108.9 40.5 -68.9 -39.9 5.0 34.7 17.0 45 353 A Q H > S+ 0 0 122 -3,-0.3 4,-1.2 2,-0.1 -2,-0.2 0.837 112.3 57.0 -75.0 -35.8 5.7 31.5 18.9 46 354 A L H X S+ 0 0 18 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.873 94.8 60.8 -72.3 -41.4 7.8 29.9 16.2 47 355 A F H X S+ 0 0 67 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.908 105.4 47.7 -57.4 -45.1 10.6 32.5 15.8 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 114.6 47.7 -59.5 -41.6 11.8 32.3 19.4 49 357 A L H X S+ 0 0 55 -4,-1.2 4,-2.1 2,-0.2 219,-0.2 0.914 112.4 48.6 -64.4 -43.6 11.9 28.5 19.1 50 358 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.931 113.7 47.8 -58.3 -47.0 13.7 28.6 15.8 51 359 A K H X S+ 0 0 85 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.917 108.9 51.4 -64.1 -50.0 16.2 31.1 17.2 52 360 A E H X S+ 0 0 63 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.927 115.1 45.0 -51.2 -48.1 16.9 29.1 20.4 53 361 A F H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.942 112.4 48.2 -64.4 -49.9 17.6 26.0 18.2 54 362 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.893 109.4 55.5 -61.2 -38.0 19.8 27.7 15.6 55 363 A D H X S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.916 110.6 43.7 -61.3 -45.6 21.8 29.3 18.3 56 364 A Q H X S+ 0 0 45 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.899 113.0 52.7 -70.3 -37.4 22.6 25.9 19.9 57 365 A Y H X S+ 0 0 25 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.952 112.2 44.2 -56.5 -51.8 23.3 24.4 16.5 58 366 A Y H <>S+ 0 0 29 -4,-3.0 5,-3.2 1,-0.2 6,-0.4 0.815 112.4 52.7 -68.7 -30.5 25.8 27.1 15.5 59 367 A S H ><5S+ 0 0 66 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 0.886 103.7 57.7 -65.0 -41.1 27.4 26.9 19.0 60 368 A S H 3<5S+ 0 0 60 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.762 109.0 44.6 -64.9 -25.0 27.8 23.1 18.6 61 369 A I T 3<5S- 0 0 66 -4,-1.0 -1,-0.3 -3,-0.1 -2,-0.2 0.203 118.3-110.9-102.6 15.1 29.9 23.6 15.4 62 370 A K T < 5S+ 0 0 191 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.840 90.6 110.1 59.1 40.8 31.9 26.4 16.9 63 371 A R > < + 0 0 136 -5,-3.2 3,-2.1 -6,-0.1 6,-0.4 0.070 35.7 153.6-128.0 22.8 30.4 29.1 14.7 64 372 A F T 3 S+ 0 0 131 -6,-0.4 -9,-0.1 1,-0.3 -8,-0.0 -0.334 75.9 4.8 -58.1 127.1 28.3 31.0 17.2 65 373 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.630 96.6 140.5 72.4 14.6 27.9 34.6 16.0 66 374 A S S <> S- 0 0 34 -3,-2.1 4,-2.5 1,-0.1 5,-0.3 -0.361 71.0-103.9 -78.5 167.6 29.6 34.1 12.7 67 375 A K H > S+ 0 0 159 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.913 125.5 54.6 -57.4 -40.0 28.5 35.6 9.4 68 376 A A H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 108.3 49.0 -57.7 -44.0 27.1 32.1 8.5 69 377 A H H > S+ 0 0 3 -6,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.960 113.8 44.3 -60.1 -52.3 25.1 32.1 11.8 70 378 A M H X S+ 0 0 95 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.950 111.4 55.2 -69.0 -29.4 23.6 35.6 11.3 71 379 A D H X S+ 0 0 86 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.917 108.6 47.7 -62.4 -47.2 22.8 34.8 7.7 72 380 A R H X S+ 0 0 9 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.901 108.9 52.7 -65.2 -41.7 20.8 31.7 8.6 73 381 A L H X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.903 112.1 45.6 -63.6 -40.5 18.7 33.5 11.3 74 382 A E H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.885 113.4 49.9 -67.3 -39.7 17.7 36.2 8.9 75 383 A E H X S+ 0 0 91 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.891 113.6 44.7 -66.3 -43.1 16.8 33.7 6.1 76 384 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.915 112.5 53.3 -64.9 -44.1 14.7 31.6 8.5 77 385 A N H X S+ 0 0 38 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.859 109.1 48.0 -60.8 -38.2 13.1 34.7 9.9 78 386 A K H X S+ 0 0 136 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.889 111.9 51.3 -66.2 -38.7 12.2 35.9 6.3 79 387 A E H X S+ 0 0 52 -4,-1.7 4,-3.6 2,-0.2 6,-0.5 0.879 111.9 44.4 -68.3 -44.2 10.8 32.4 5.6 80 388 A I H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.903 112.5 53.5 -63.9 -45.0 8.6 32.3 8.8 81 389 A E H < S+ 0 0 126 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.840 121.1 32.6 -57.2 -34.4 7.4 35.9 8.0 82 390 A S H < S+ 0 0 93 -4,-1.6 -2,-0.2 3,-0.1 -3,-0.2 0.907 134.2 21.6 -90.8 -48.5 6.4 34.7 4.5 83 391 A T H < S- 0 0 70 -4,-3.6 -3,-0.2 2,-0.4 -2,-0.2 0.513 90.2-125.1-103.6 -8.0 5.3 31.1 4.9 84 392 A S S < S+ 0 0 67 -4,-2.0 2,-0.2 -5,-0.4 -4,-0.2 0.380 91.6 46.9 70.8 -2.1 4.3 30.8 8.6 85 393 A T S S- 0 0 30 -6,-0.5 -2,-0.4 -9,-0.0 2,-0.3 -0.802 73.5-145.6-142.5-174.5 6.7 27.8 8.9 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.971 15.1-114.3-151.8 171.0 10.3 27.0 7.7 87 395 A Q - 0 0 96 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.909 24.0-130.5-113.5 134.6 12.5 24.1 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.612 22.3-121.6 -77.9 136.9 15.4 22.6 8.3 89 397 A K > - 0 0 99 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.386 32.2-108.2 -62.8 158.3 18.7 22.1 6.5 90 398 A D H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 122.2 53.4 -60.1 -44.0 19.8 18.4 6.5 91 399 A T H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 110.3 47.6 -56.4 -44.0 22.6 19.2 8.9 92 400 A E H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.876 110.5 51.7 -64.5 -42.9 20.0 20.8 11.3 93 401 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 112.0 45.2 -61.0 -48.9 17.6 17.9 11.0 94 402 A I H X S+ 0 0 68 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 115.6 46.7 -61.2 -48.1 20.3 15.3 11.9 95 403 A Y H X S+ 0 0 28 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.922 113.0 50.9 -57.3 -47.2 21.6 17.4 14.8 96 404 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.901 111.2 46.7 -60.2 -43.8 18.0 18.0 16.0 97 405 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.912 112.0 49.8 -67.5 -42.7 17.2 14.2 15.9 98 406 A K H X S+ 0 0 54 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 113.4 47.8 -63.4 -38.8 20.4 13.2 17.7 99 407 A H H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.829 103.3 58.7 -75.5 -31.6 19.7 15.8 20.4 100 408 A A H < S+ 0 0 0 -4,-2.3 296,-0.5 2,-0.2 4,-0.4 0.921 111.9 43.6 -59.0 -42.3 16.1 14.8 20.9 101 409 A W H >< S+ 0 0 36 -4,-1.7 3,-1.7 2,-0.2 -2,-0.2 0.953 111.4 53.6 -65.2 -48.0 17.5 11.4 21.8 102 410 A R H 3< S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.829 112.2 46.3 -53.9 -35.1 20.2 13.0 23.9 103 411 A N T 3< S+ 0 0 8 -4,-2.4 2,-1.1 291,-0.2 289,-0.4 0.460 77.4 117.9 -87.0 -7.2 17.5 14.9 25.8 104 412 A A X - 0 0 26 -3,-1.7 3,-2.0 -4,-0.4 6,-0.1 -0.503 46.5-167.5 -69.5 99.4 15.2 11.9 26.3 105 413 A S T 3 S+ 0 0 22 -2,-1.1 262,-2.6 1,-0.3 -1,-0.2 0.737 82.1 55.3 -65.1 -20.8 15.2 11.8 30.2 106 414 A R T 3 S+ 0 0 52 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.406 86.5 97.0 -90.9 0.2 13.5 8.4 30.3 107 415 A C X - 0 0 38 -3,-2.0 3,-0.7 -6,-0.2 264,-0.1 -0.848 46.3-174.2-103.0 117.8 16.0 6.6 28.0 108 416 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.615 79.9 68.3 -76.1 -16.0 18.8 4.5 29.6 109 417 A G T > + 0 0 29 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.233 60.3 117.3 -92.5 17.7 20.5 3.9 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.5 1,-0.3 -1,-0.2 0.616 48.9 86.0 -68.5 -10.5 21.6 7.4 25.6 111 419 A I G 3 S+ 0 0 46 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.822 93.2 53.0 -51.8 -24.2 25.4 6.6 25.6 112 420 A Q G X S+ 0 0 47 -3,-1.8 3,-2.8 1,-0.2 -1,-0.3 0.432 74.5 116.0 -87.3 -0.8 24.6 5.8 22.0 113 421 A W T < S+ 0 0 39 -3,-2.5 -1,-0.2 1,-0.3 -11,-0.2 0.690 72.2 50.7 -55.3 -29.4 23.0 9.1 21.1 114 422 A S T 3 S+ 0 0 57 -3,-0.4 2,-0.9 1,-0.2 -1,-0.3 0.584 97.5 70.9 -87.3 -8.9 25.5 10.3 18.6 115 423 A K < + 0 0 118 -3,-2.8 2,-0.4 -17,-0.1 34,-0.3 -0.822 68.3 130.9-104.3 85.5 25.4 7.1 16.5 116 424 A L - 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0 0 36 -5,-1.9 2,-1.0 1,-0.1 -1,-0.2 -0.484 49.7 -96.1 -85.8 161.9 7.8 -24.1 43.0 309 617 A D + 0 0 70 1,-0.2 3,-0.5 -2,-0.1 8,-0.3 -0.711 44.2 173.5 -79.5 101.9 5.7 -23.6 46.1 310 618 A M + 0 0 46 -2,-1.0 -1,-0.2 1,-0.2 -6,-0.0 0.322 54.7 92.7 -93.4 7.0 3.1 -21.0 44.9 311 619 A R S S+ 0 0 225 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.789 89.5 34.9 -72.9 -29.6 1.0 -21.2 48.1 312 620 A K > - 0 0 79 -3,-0.5 3,-1.1 1,-0.1 5,-0.5 -0.977 66.0-141.1-133.3 142.3 2.7 -18.2 49.8 313 621 A T G > S+ 0 0 57 -2,-0.4 3,-2.1 1,-0.2 5,-0.2 0.865 97.2 69.5 -67.3 -32.8 4.2 -15.0 48.5 314 622 A S G 3 S+ 0 0 12 1,-0.3 -1,-0.2 2,-0.1 428,-0.1 0.526 81.8 70.2 -70.3 -8.6 7.2 -15.2 51.0 315 623 A S G < S- 0 0 23 -3,-1.1 -1,-0.3 -6,-0.2 -2,-0.1 0.547 102.5-133.3 -74.3 -9.2 8.8 -18.2 49.2 316 624 A L <> + 0 0 0 -3,-2.1 4,-2.3 -4,-0.1 5,-0.2 0.834 52.1 153.4 54.7 40.2 9.5 -15.7 46.5 317 625 A W H > S+ 0 0 20 -5,-0.5 4,-2.5 -8,-0.3 5,-0.2 0.896 72.2 52.4 -62.1 -39.4 8.3 -18.0 43.7 318 626 A K H > S+ 0 0 58 -5,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 110.6 47.3 -60.0 -43.8 7.4 -15.0 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.872 111.6 49.9 -70.4 -40.2 10.9 -13.6 42.0 320 628 A Q H X S+ 0 0 39 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.956 114.2 44.3 -60.0 -51.0 12.6 -16.9 41.2 321 629 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.893 108.7 59.2 -61.4 -40.0 10.6 -17.4 38.0 322 630 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.926 105.9 47.5 -54.7 -46.6 11.2 -13.7 37.1 323 631 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.942 111.7 50.5 -63.6 -43.8 14.9 -14.2 37.1 324 632 A E H X S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.889 107.7 52.2 -62.2 -42.3 14.7 -17.4 35.0 325 633 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.894 112.2 47.6 -59.4 -41.7 12.4 -15.8 32.3 326 634 A N H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.794 107.6 53.8 -72.7 -29.0 15.0 -13.0 32.0 327 635 A I H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 109.3 50.3 -65.4 -43.8 17.9 -15.4 31.8 328 636 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -89,-0.5 0.866 107.4 53.3 -62.4 -40.6 16.1 -17.1 28.9 329 637 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.972 113.9 41.3 -60.6 -53.2 15.4 -13.8 27.0 330 638 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.895 115.2 51.1 -63.6 -41.7 19.1 -12.8 27.1 331 639 A Y H X S+ 0 0 91 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.903 110.7 49.0 -63.2 -41.8 20.3 -16.4 26.3 332 640 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 -93,-0.3 -1,-0.2 0.896 112.9 44.9 -65.2 -47.7 18.0 -16.7 23.3 333 641 A F H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 -2,-0.2 0.915 115.4 48.8 -63.0 -45.4 18.9 -13.3 21.7 334 642 A Q H ><5S+ 0 0 73 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.947 111.0 49.6 -60.4 -47.4 22.6 -14.0 22.3 335 643 A S H 3<5S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 114.1 44.9 -59.5 -37.9 22.4 -17.5 20.8 336 644 A D T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.272 114.9-119.3 -90.9 7.7 20.6 -16.2 17.7 337 645 A K T < 5 + 0 0 159 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.861 62.1 146.2 55.0 45.7 23.1 -13.3 17.4 338 646 A V < - 0 0 4 -5,-2.7 -1,-0.2 -6,-0.1 -192,-0.2 -0.957 57.1-105.8-110.4 123.0 20.6 -10.5 17.8 339 647 A T + 0 0 43 -194,-2.6 -59,-0.5 -2,-0.5 2,-0.3 -0.186 53.6 154.8 -50.3 135.2 21.9 -7.5 19.7 340 648 A I E -o 280 0J 25 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.958 28.6-147.1-157.3 151.4 20.6 -7.2 23.2 341 649 A V E -o 281 0J 28 -61,-2.4 -59,-2.8 -2,-0.3 2,-0.1 -0.980 14.9-132.1-123.6 136.5 21.9 -5.6 26.4 342 650 A D > - 0 0 13 -2,-0.4 4,-2.6 -61,-0.2 5,-0.2 -0.494 29.4-111.0 -76.5 159.1 21.3 -6.8 30.0 343 651 A H H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.779 116.5 55.6 -62.2 -25.9 20.2 -4.3 32.7 344 652 A H H > S+ 0 0 15 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.962 112.2 40.6 -70.8 -50.7 23.6 -4.5 34.5 345 653 A S H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.920 116.2 49.9 -61.5 -45.9 25.5 -3.5 31.4 346 654 A A H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.869 113.2 45.4 -62.8 -40.4 23.0 -0.8 30.2 347 655 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.895 110.9 52.3 -74.8 -39.1 22.9 0.9 33.6 348 656 A E H X S+ 0 0 134 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.912 111.9 49.0 -57.4 -43.0 26.7 0.8 34.0 349 657 A S H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.886 107.9 52.9 -62.0 -42.2 26.9 2.4 30.5 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.901 105.8 53.6 -63.5 -39.9 24.3 5.1 31.5 351 659 A I H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.944 110.8 46.6 -58.3 -47.6 26.4 6.0 34.6 352 660 A K H X S+ 0 0 130 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.909 112.4 51.3 -58.3 -43.3 29.5 6.5 32.3 353 661 A H H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.941 107.3 52.1 -61.3 -47.0 27.3 8.5 30.0 354 662 A M H X S+ 0 0 1 -4,-3.4 4,-3.1 1,-0.2 5,-0.2 0.933 109.4 50.7 -54.1 -46.9 26.0 10.7 32.8 355 663 A E H X S+ 0 0 84 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.920 110.7 48.2 -58.0 -44.0 29.6 11.4 33.8 356 664 A N H X S+ 0 0 52 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.936 113.7 47.6 -60.1 -47.7 30.5 12.4 30.2 357 665 A E H X>S+ 0 0 7 -4,-2.9 4,-3.1 2,-0.2 5,-1.1 0.925 111.4 49.4 -62.5 -46.8 27.4 14.7 30.0 358 666 A Y H X5S+ 0 0 15 -4,-3.1 4,-0.9 4,-0.3 -1,-0.2 0.941 118.1 40.3 -57.0 -47.2 28.1 16.4 33.3 359 667 A R H <5S+ 0 0 195 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.822 128.4 29.7 -73.7 -29.6 31.7 17.0 32.3 360 668 A C H <5S+ 0 0 80 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.652 136.9 19.3-104.7 -17.9 31.1 18.0 28.7 361 669 A R H <5S- 0 0 45 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.481 100.3-111.2-130.1 -12.9 27.6 19.5 28.7 362 670 A G S <> - 0 0 9 -262,-2.6 4,-2.2 -2,-0.3 3,-1.3 -0.856 13.5-164.2-101.6 99.7 13.9 10.4 35.1 368 676 A W H 3> S+ 0 0 17 -2,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.840 85.4 63.4 -53.7 -39.9 15.0 7.9 37.9 369 677 A V H 34 S+ 0 0 18 1,-0.2 -1,-0.3 -334,-0.2 -263,-0.1 0.839 115.4 31.2 -56.0 -35.4 11.5 6.3 37.9 370 678 A W H <4 S+ 0 0 105 -3,-1.3 -2,-0.2 -265,-0.1 -1,-0.2 0.732 115.7 57.2 -91.8 -30.6 12.1 5.1 34.3 371 679 A I H < S+ 0 0 1 -4,-2.2 -2,-0.2 -266,-0.1 -3,-0.2 0.862 87.1 81.9 -76.6 -38.8 15.9 4.6 34.3 372 680 A V S < S- 0 0 15 -4,-2.2 5,-0.1 -5,-0.2 6,-0.1 -0.587 93.6-112.1 -68.3 122.7 16.1 2.2 37.2 373 681 A P - 0 0 6 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.129 19.0-114.6 -56.2 152.2 15.2 -1.3 35.7 374 682 A P S S+ 0 0 14 0, 0.0 415,-2.3 0, 0.0 416,-0.4 0.367 98.7 45.3 -78.3 6.1 12.0 -3.1 36.7 375 683 A M S S+ 0 0 2 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.976 116.9 7.3-138.5 156.8 13.9 -5.8 38.4 376 684 A S S > S+ 0 0 4 -2,-0.3 3,-1.2 1,-0.1 4,-0.4 0.781 72.0 173.2 46.8 38.6 16.9 -5.9 40.8 377 685 A G G > + 0 0 6 1,-0.2 3,-1.7 407,-0.2 6,-0.6 0.865 69.0 44.4 -40.3 -60.7 16.8 -2.1 41.2 378 686 A S G 3 S+ 0 0 2 407,-2.1 -1,-0.2 1,-0.3 408,-0.1 0.577 102.5 63.9 -73.9 -12.2 19.4 -1.6 43.9 379 687 A I G < S+ 0 0 13 -3,-1.2 -1,-0.3 406,-0.4 -2,-0.2 0.448 93.2 77.7 -87.2 3.3 22.0 -4.0 42.5 380 688 A T S X S- 0 0 1 -3,-1.7 3,-1.0 -4,-0.4 4,-0.5 -0.844 88.5-126.2-104.6 149.1 22.3 -1.7 39.5 381 689 A P G > S+ 0 0 33 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.817 102.7 68.3 -68.3 -26.0 24.3 1.5 39.9 382 690 A V G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 -10,-0.1 0.795 87.5 67.5 -64.1 -26.6 21.5 3.8 38.7 383 691 A F G < S+ 0 0 33 -3,-1.0 -1,-0.3 -6,-0.6 -5,-0.1 0.882 104.8 42.9 -57.9 -37.7 19.5 3.0 41.8 384 692 A H G < S+ 0 0 15 -3,-1.1 -376,-2.9 -4,-0.5 2,-0.6 0.403 96.5 96.9 -91.9 3.3 22.1 4.8 44.0 385 693 A Q B < -B 7 0B 4 -3,-1.4 -378,-0.2 -4,-0.3 2,-0.1 -0.837 68.8-138.5-100.9 118.1 22.5 7.8 41.6 386 694 A E - 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