==== 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 3UFW . 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) . 35318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.0 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 . 66 8.1 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 . 223 27.3 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 1 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 . 0 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 0 221 0, 0.0 2,-0.1 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 45.4 20.8 27.9 40.1 2 300 A F - 0 0 145 2,-0.0 2,-0.4 17,-0.0 15,-0.2 -0.417 360.0-162.4 161.3 102.8 23.7 25.3 40.4 3 301 A L E -A 16 0A 43 13,-2.2 13,-4.1 -2,-0.1 2,-0.4 -0.885 8.3-143.1-123.3 140.3 22.6 21.8 41.6 4 302 A K E -A 15 0A 124 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.756 6.8-165.2-101.8 139.1 24.4 18.8 43.0 5 303 A V E -A 14 0A 0 9,-3.1 9,-3.2 -2,-0.4 2,-0.4 -0.996 11.0-160.5-119.0 132.8 23.7 15.1 42.3 6 304 A K E -A 13 0A 58 -2,-0.4 380,-2.2 7,-0.2 2,-0.6 -0.890 14.2-145.8-111.7 136.7 25.2 12.5 44.6 7 305 A N B > -B 385 0B 5 5,-2.3 4,-2.3 -2,-0.4 378,-0.3 -0.921 12.6-157.7 -95.8 119.7 25.8 8.8 43.9 8 306 A W T 4 S+ 0 0 86 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.562 87.6 51.3 -79.2 -11.5 25.2 7.1 47.3 9 307 A E T 4 S+ 0 0 42 372,-0.2 -1,-0.2 375,-0.2 376,-0.1 0.806 127.3 20.1 -86.5 -41.2 27.3 4.0 46.5 10 308 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.547 92.1-131.3-109.1 -11.5 30.4 5.8 45.3 11 309 A D < + 0 0 107 -4,-2.3 -3,-0.1 1,-0.2 2,-0.1 0.402 51.7 153.5 69.8 -1.9 30.0 9.2 46.9 12 310 A V - 0 0 64 -5,-0.1 -5,-2.3 -6,-0.1 2,-0.5 -0.382 30.1-156.0 -57.9 128.1 30.8 10.9 43.5 13 311 A V E -A 6 0A 82 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.956 8.2-167.6-110.5 125.6 29.1 14.3 43.4 14 312 A L E -A 5 0A 28 -9,-3.2 -9,-3.1 -2,-0.5 2,-0.5 -0.867 14.4-136.2-112.4 150.9 28.3 16.0 40.1 15 313 A T E -A 4 0A 60 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.922 15.0-154.3-109.8 119.1 27.3 19.6 39.5 16 314 A D E +A 3 0A 0 -13,-4.1 -13,-2.2 -2,-0.5 347,-0.2 -0.807 32.7 148.9 -96.6 128.1 24.4 20.3 37.1 17 315 A T > + 0 0 49 345,-2.8 3,-1.5 -2,-0.4 4,-0.5 0.408 60.4 83.0-123.5 -12.4 24.1 23.6 35.2 18 316 A L G > S+ 0 0 8 344,-1.6 3,-1.1 1,-0.3 345,-0.1 0.783 75.5 74.7 -68.4 -25.2 22.4 22.4 32.1 19 317 A H G > S+ 0 0 20 343,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.712 84.9 64.4 -58.9 -24.5 19.0 22.6 33.9 20 318 A L G < S+ 0 0 67 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.852 96.3 56.6 -70.8 -33.3 19.0 26.4 33.6 21 319 A K G < S+ 0 0 154 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.274 87.1 121.7 -73.7 10.9 18.9 26.0 29.8 22 320 A S < + 0 0 15 -3,-1.4 370,-0.2 1,-0.1 -3,-0.0 -0.509 35.2 174.3 -84.1 149.0 15.7 24.0 30.4 23 321 A T + 0 0 60 368,-2.0 369,-0.1 -2,-0.2 -1,-0.1 0.823 45.0 64.6-122.0 -57.9 12.5 25.1 28.8 24 322 A L S S- 0 0 46 367,-0.6 367,-0.4 1,-0.1 2,-0.3 -0.013 83.5 -94.7 -68.5 176.4 9.3 23.0 29.0 25 323 A E - 0 0 144 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.720 19.3-151.3-100.1 143.8 7.4 22.3 32.3 26 324 A T - 0 0 17 413,-2.4 413,-0.1 -2,-0.3 414,-0.1 0.769 36.9-116.5 -82.4 -28.9 7.9 19.1 34.4 27 325 A G S S+ 0 0 29 1,-0.4 2,-0.1 412,-0.2 412,-0.1 -0.034 81.6 106.4 107.2 -28.6 4.5 18.7 36.1 28 326 A C - 0 0 2 410,-0.4 -1,-0.4 5,-0.1 -2,-0.2 -0.477 46.8-170.9 -82.1 152.8 5.9 19.2 39.6 29 327 A T - 0 0 49 3,-2.5 408,-0.4 -2,-0.1 406,-0.1 -0.668 45.9 -91.5-120.5-173.4 5.5 22.3 41.8 30 328 A E S S+ 0 0 76 -2,-0.2 405,-2.3 1,-0.2 406,-0.3 0.726 128.7 42.0 -64.8 -23.2 7.0 23.4 45.1 31 329 A H S S+ 0 0 90 1,-0.2 771,-0.4 403,-0.2 2,-0.4 0.704 118.8 31.7-100.3 -27.1 4.0 21.6 46.7 32 330 A I - 0 0 7 769,-0.1 -3,-2.5 405,-0.1 2,-0.5 -0.982 61.3-146.2-143.4 127.9 3.6 18.4 44.8 33 331 A C B -C 800 0C 9 767,-3.3 767,-1.9 -2,-0.4 3,-0.2 -0.830 11.9-178.9 -91.2 126.4 5.9 16.0 43.1 34 332 A M > + 0 0 29 -2,-0.5 3,-2.3 765,-0.2 -1,-0.1 0.033 39.1 130.1-109.3 24.5 4.5 14.3 39.9 35 333 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.2 765,-0.1 334,-0.2 0.713 74.5 45.1 -50.4 -29.5 7.7 12.3 39.3 36 334 A S T 3 S+ 0 0 19 762,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.362 82.1 112.5-105.2 7.6 5.8 9.0 39.0 37 335 A I < - 0 0 15 -3,-2.3 -3,-0.1 1,-0.1 377,-0.0 -0.637 60.2-145.8 -77.3 130.9 2.9 10.2 36.7 38 336 A M S S+ 0 0 62 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.921 93.0 23.3 -62.8 -41.6 3.1 8.6 33.2 39 337 A L 0 0 94 -3,-0.1 -1,-0.3 1,-0.0 -12,-0.0 -0.832 360.0 360.0-126.6 89.0 1.7 11.7 31.5 40 338 A P 0 0 93 0, 0.0 -13,-0.2 0, 0.0 -14,-0.1 0.565 360.0 360.0 -88.3 360.0 2.2 15.0 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 0 126 0, 0.0 4,-1.5 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0-176.1 1.7 30.7 15.3 43 351 A K H > + 0 0 81 2,-0.2 4,-1.6 1,-0.2 38,-0.1 0.886 360.0 48.9 -62.5 -47.8 4.4 33.0 13.7 44 352 A D H 4 S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.821 112.3 49.7 -62.4 -36.5 5.3 34.7 17.0 45 353 A Q H > S+ 0 0 128 1,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.860 109.3 53.3 -69.9 -35.7 5.6 31.4 18.8 46 354 A L H X S+ 0 0 17 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.834 96.2 60.1 -79.1 -35.8 7.8 29.9 16.1 47 355 A F H X S+ 0 0 45 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.939 105.0 47.4 -65.8 -45.6 10.7 32.4 15.7 48 356 A P H > S+ 0 0 78 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.938 114.3 49.8 -53.2 -46.0 12.0 32.2 19.3 49 357 A L H X S+ 0 0 55 -4,-1.0 4,-1.7 2,-0.2 219,-0.2 0.906 113.1 45.7 -58.6 -45.8 11.8 28.4 19.0 50 358 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.945 115.1 48.0 -57.3 -52.6 13.7 28.5 15.7 51 359 A K H X S+ 0 0 89 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.912 108.4 51.9 -58.8 -52.5 16.3 30.9 17.1 52 360 A E H X S+ 0 0 54 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.925 113.9 46.7 -49.9 -46.2 17.0 29.0 20.3 53 361 A F H X S+ 0 0 3 -4,-1.7 4,-2.9 -5,-0.3 -2,-0.2 0.942 112.5 46.4 -64.1 -47.0 17.6 25.9 18.2 54 362 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.835 108.6 57.2 -71.2 -31.9 19.9 27.5 15.6 55 363 A D H X S+ 0 0 27 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.952 110.7 42.9 -59.8 -49.6 21.9 29.2 18.3 56 364 A Q H X S+ 0 0 52 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.946 114.1 52.2 -65.6 -40.8 22.6 25.8 19.9 57 365 A Y H X S+ 0 0 24 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.945 111.7 44.5 -55.7 -52.3 23.3 24.3 16.5 58 366 A Y H <>S+ 0 0 29 -4,-3.1 5,-3.4 1,-0.2 6,-0.4 0.783 112.3 53.7 -66.9 -24.6 25.8 27.0 15.5 59 367 A S H ><5S+ 0 0 66 -4,-1.7 3,-1.8 -5,-0.2 -1,-0.2 0.917 104.2 54.6 -73.3 -40.3 27.4 26.8 18.9 60 368 A S H 3<5S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.882 110.4 45.6 -61.0 -39.5 27.9 23.0 18.6 61 369 A I T 3<5S- 0 0 68 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.243 118.6-114.9 -88.4 14.1 29.8 23.5 15.3 62 370 A K T < 5S+ 0 0 184 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.832 87.8 110.0 59.4 38.9 31.8 26.3 16.9 63 371 A R > < + 0 0 150 -5,-3.4 3,-1.5 -6,-0.1 6,-0.3 -0.010 35.1 150.2-130.2 28.9 30.4 29.1 14.7 64 372 A F T 3 S+ 0 0 124 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.445 74.4 13.2 -62.8 131.9 28.2 31.0 17.2 65 373 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.712 98.9 130.6 71.7 23.3 28.1 34.7 16.2 66 374 A S S <> S- 0 0 31 -3,-1.5 4,-2.7 1,-0.1 3,-0.3 -0.596 73.9-104.6-100.2 167.6 29.5 34.1 12.7 67 375 A K H > S+ 0 0 151 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 122.3 54.3 -58.2 -47.2 28.2 35.4 9.4 68 376 A A H > S+ 0 0 52 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.829 111.5 48.5 -53.3 -35.9 26.9 31.9 8.4 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-2.4 -3,-0.3 -2,-0.2 0.967 113.5 43.0 -65.4 -55.8 25.0 32.0 11.8 70 378 A M H X S+ 0 0 94 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.805 114.7 53.3 -66.0 -25.7 23.5 35.5 11.3 71 379 A D H X S+ 0 0 76 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.880 110.3 44.3 -74.0 -42.9 22.7 34.6 7.7 72 380 A R H X S+ 0 0 12 -4,-1.5 4,-3.0 -5,-0.2 5,-0.3 0.907 111.5 54.3 -69.0 -40.1 20.7 31.4 8.5 73 381 A L H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 112.5 44.4 -58.9 -42.5 19.0 33.2 11.4 74 382 A E H X S+ 0 0 103 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.900 112.8 51.1 -67.1 -42.7 17.8 35.9 8.9 75 383 A E H X S+ 0 0 94 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.932 112.9 44.6 -61.4 -48.6 16.9 33.3 6.2 76 384 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.919 112.1 53.5 -62.6 -46.5 14.7 31.3 8.6 77 385 A N H X S+ 0 0 44 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.877 110.0 46.8 -53.2 -44.0 13.2 34.5 10.0 78 386 A K H X S+ 0 0 134 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.856 110.7 53.2 -70.5 -31.5 12.2 35.6 6.5 79 387 A E H X S+ 0 0 49 -4,-1.9 4,-3.4 2,-0.2 6,-0.6 0.845 109.5 47.1 -73.1 -35.4 10.8 32.2 5.7 80 388 A I H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.953 110.9 52.1 -68.7 -51.1 8.5 32.2 8.8 81 389 A E H < S+ 0 0 122 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.816 121.4 34.6 -47.6 -35.6 7.4 35.7 8.0 82 390 A S H < S+ 0 0 103 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.901 132.8 21.0 -91.8 -50.4 6.5 34.5 4.5 83 391 A T H < S- 0 0 76 -4,-3.4 -3,-0.2 2,-0.4 -2,-0.2 0.527 93.0-120.8-101.5 -11.2 5.3 30.9 4.8 84 392 A S S < S+ 0 0 72 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.473 93.5 42.0 72.0 5.2 4.2 30.6 8.5 85 393 A T S S- 0 0 30 -6,-0.6 -2,-0.4 -5,-0.1 2,-0.3 -0.910 73.3-141.0-155.0-175.2 6.8 27.9 8.8 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.945 15.2-116.8-146.8 169.0 10.3 27.0 7.7 87 395 A Q - 0 0 94 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.913 23.9-130.2-110.3 139.7 12.4 24.0 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.2 1,-0.0 179,-0.0 -0.641 22.1-119.2 -80.3 142.7 15.5 22.5 8.3 89 397 A K > - 0 0 103 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.518 31.5-109.9 -69.2 148.7 18.8 21.9 6.5 90 398 A D H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 121.9 54.1 -44.9 -45.1 19.8 18.2 6.4 91 399 A T H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 109.7 46.4 -60.8 -43.6 22.6 19.1 8.8 92 400 A E H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.855 111.2 52.9 -62.7 -39.2 20.1 20.7 11.3 93 401 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.894 109.8 46.8 -66.0 -43.2 17.7 17.7 11.0 94 402 A I H X S+ 0 0 71 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.927 115.0 47.4 -64.8 -45.6 20.5 15.2 11.8 95 403 A Y H X S+ 0 0 30 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 111.8 49.8 -58.6 -47.7 21.6 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.898 112.8 47.2 -62.6 -40.7 18.0 17.8 16.0 97 405 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.932 111.6 48.1 -68.7 -47.6 17.3 14.1 15.9 98 406 A K H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 114.9 48.4 -59.8 -42.7 20.5 13.0 17.6 99 407 A H H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.833 102.0 59.6 -69.9 -32.5 19.8 15.7 20.3 100 408 A A H < S+ 0 0 0 -4,-2.3 296,-0.4 2,-0.2 4,-0.3 0.959 112.2 42.4 -58.1 -46.1 16.2 14.7 20.9 101 409 A W H >< S+ 0 0 35 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.956 111.2 55.1 -60.1 -47.8 17.6 11.2 21.8 102 410 A R H 3< S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.887 112.2 45.0 -53.0 -36.2 20.4 12.9 23.8 103 411 A N T 3< S+ 0 0 11 -4,-2.6 2,-1.3 291,-0.2 289,-0.4 0.398 78.1 119.5 -88.1 -1.6 17.7 14.7 25.8 104 412 A A X - 0 0 25 -3,-2.0 3,-2.1 -4,-0.3 6,-0.2 -0.544 45.0-169.1 -74.5 98.4 15.4 11.7 26.3 105 413 A S T 3 S+ 0 0 21 -2,-1.3 262,-2.7 1,-0.3 -1,-0.2 0.727 81.9 54.2 -65.8 -22.9 15.4 11.7 30.1 106 414 A R T 3 S+ 0 0 79 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.370 87.3 100.4 -88.6 1.0 13.7 8.3 30.3 107 415 A C X - 0 0 39 -3,-2.1 3,-0.7 -6,-0.2 264,-0.1 -0.831 45.2-175.7-100.9 118.2 16.3 6.5 28.0 108 416 A V T 3 S+ 0 0 25 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.601 80.3 65.9 -76.5 -14.3 19.0 4.4 29.6 109 417 A G T > + 0 0 26 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.256 60.9 114.8 -98.7 16.6 20.7 3.8 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.7 1,-0.3 4,-0.2 0.549 50.5 86.7 -73.3 -5.8 21.8 7.3 25.5 111 419 A I G 3 S+ 0 0 42 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.796 94.0 53.7 -56.1 -20.1 25.6 6.5 25.6 112 420 A Q G X S+ 0 0 49 -3,-1.7 3,-1.7 1,-0.2 -1,-0.3 0.342 75.8 113.7 -93.0 3.0 24.7 5.6 22.0 113 421 A W T < S+ 0 0 44 -3,-2.7 -11,-0.2 1,-0.3 -1,-0.2 0.734 72.0 51.2 -54.9 -32.2 23.1 9.0 21.1 114 422 A S T 3 S+ 0 0 56 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.659 96.2 72.4 -87.3 -12.2 25.6 10.2 18.6 115 423 A K < + 0 0 119 -3,-1.7 2,-0.4 -17,-0.1 34,-0.3 -0.756 67.3 133.7-100.0 83.4 25.6 7.0 16.5 116 424 A L - 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0 0 7 -5,-2.5 -1,-0.3 -6,-0.1 -192,-0.2 -0.903 56.8-107.6-100.9 126.5 10.2 -13.3 64.3 750 647 B T + 0 0 39 -194,-2.3 -59,-0.6 -2,-0.5 2,-0.3 -0.317 53.5 152.9 -57.0 130.9 7.7 -11.0 62.5 751 648 B I E -d 691 0T 22 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.961 28.9-148.7-152.6 150.1 8.8 -10.2 58.9 752 649 B V E -d 692 0T 33 -61,-2.1 -59,-2.9 -2,-0.3 2,-0.2 -0.959 16.8-129.8-122.4 142.3 6.8 -9.3 55.7 753 650 B D > - 0 0 10 -2,-0.4 4,-2.6 -61,-0.2 5,-0.2 -0.511 26.5-112.2 -82.0 163.7 7.8 -10.1 52.2 754 651 B H H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.746 114.4 55.8 -69.2 -26.2 7.8 -7.4 49.5 755 652 B H H > S+ 0 0 10 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.978 113.5 38.9 -65.5 -56.8 4.8 -9.0 47.6 756 653 B S H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 116.1 52.7 -61.8 -41.6 2.5 -9.0 50.6 757 654 B A H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.886 111.9 43.8 -62.0 -40.6 3.8 -5.5 51.9 758 655 B T H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.886 112.9 52.7 -75.6 -38.1 3.2 -3.7 48.5 759 656 B E H X S+ 0 0 98 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.908 111.4 46.4 -60.0 -44.6 -0.2 -5.4 48.1 760 657 B S H X S+ 0 0 39 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.918 109.7 55.9 -64.6 -39.3 -1.2 -4.2 51.6 761 658 B F H X S+ 0 0 1 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.867 104.0 51.3 -60.7 -38.5 0.1 -0.8 50.8 762 659 B I H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.878 112.0 47.7 -66.0 -42.9 -2.1 -0.5 47.7 763 660 B K H X S+ 0 0 120 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.934 113.7 47.8 -61.6 -46.4 -5.2 -1.4 49.8 764 661 B H H X S+ 0 0 6 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.948 111.8 51.3 -56.3 -45.3 -4.1 1.1 52.4 765 662 B M H X S+ 0 0 1 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.889 110.0 46.7 -65.5 -42.6 -3.6 3.7 49.7 766 663 B E H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.908 111.2 52.0 -65.0 -44.5 -7.0 3.3 48.1 767 664 B N H X S+ 0 0 94 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.906 108.1 53.4 -53.7 -45.4 -8.8 3.4 51.5 768 665 B E H X>S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 6,-1.4 0.844 106.9 50.5 -63.0 -37.2 -6.9 6.6 52.3 769 666 B Y H X5S+ 0 0 12 -4,-1.5 4,-1.0 4,-0.3 -1,-0.2 0.947 114.4 44.9 -65.0 -46.7 -8.1 8.2 49.0 770 667 B R H <5S+ 0 0 168 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.957 129.0 24.1 -62.1 -51.2 -11.7 7.3 49.8 771 668 B C H <5S+ 0 0 87 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.793 136.1 28.1 -89.5 -31.9 -11.7 8.4 53.5 772 669 B R H <5S- 0 0 48 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.651 99.2-117.9-106.5 -17.9 -8.9 11.0 53.7 773 670 B G S <> - 0 0 6 -262,-2.6 4,-2.7 -2,-0.3 3,-1.2 -0.877 13.7-164.3-102.2 103.7 7.2 8.6 47.2 779 676 B W H 3> S+ 0 0 19 -2,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.868 85.1 63.1 -58.2 -41.6 7.4 6.1 44.4 780 677 B V H 34 S+ 0 0 17 1,-0.2 -1,-0.3 -336,-0.2 -335,-0.1 0.821 116.7 29.9 -54.7 -34.9 11.2 6.0 44.4 781 678 B W H <4 S+ 0 0 122 -3,-1.2 -2,-0.2 -265,-0.1 -1,-0.2 0.821 114.3 59.0 -96.1 -35.2 11.1 4.6 48.0 782 679 B I H < S+ 0 0 2 -4,-2.7 -2,-0.2 -266,-0.2 -3,-0.2 0.905 88.5 81.0 -61.5 -46.0 7.8 2.6 47.9 783 680 B V S < S- 0 0 16 -4,-2.3 5,-0.1 -5,-0.2 6,-0.1 -0.495 92.4-115.7 -61.9 123.8 8.9 0.3 45.0 784 681 B P - 0 0 7 0, 0.0 -407,-0.2 0, 0.0 4,-0.2 -0.205 18.4-114.9 -61.9 156.2 11.1 -2.5 46.5 785 682 B P S S+ 0 0 12 0, 0.0 -407,-2.1 0, 0.0 -406,-0.4 0.352 98.2 44.9 -83.0 4.5 14.8 -2.7 45.5 786 683 B M S S+ 0 0 0 -410,-0.2 -411,-0.1 -409,-0.2 -92,-0.1 -0.974 116.9 8.7-133.3 157.8 14.2 -6.1 43.8 787 684 B S S > S+ 0 0 5 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 0.757 73.4 171.3 55.0 28.1 11.5 -7.4 41.4 788 685 B G G > + 0 0 6 1,-0.2 3,-1.4 -415,-0.2 6,-0.5 0.826 66.3 44.9 -36.7 -57.9 10.1 -3.9 41.1 789 686 B S G 3 S+ 0 0 2 -415,-2.7 -1,-0.2 1,-0.3 -414,-0.1 0.597 101.2 64.4 -80.6 -8.5 7.5 -4.5 38.3 790 687 B I G < S+ 0 0 21 -3,-1.5 -1,-0.3 -416,-0.4 -2,-0.2 0.328 92.5 79.7 -92.0 8.7 6.0 -7.8 39.6 791 688 B T S X S- 0 0 2 -3,-1.4 3,-1.0 -4,-0.3 4,-0.5 -0.895 88.3-125.8-108.9 146.6 4.8 -5.8 42.7 792 689 B P G > S+ 0 0 32 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.741 102.2 69.0 -71.3 -17.6 1.6 -3.7 42.3 793 690 B V G > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 -10,-0.1 0.849 87.6 67.5 -66.6 -29.6 3.2 -0.4 43.5 794 691 B F G < S+ 0 0 30 -3,-1.0 -1,-0.2 -6,-0.5 -5,-0.1 0.856 104.8 42.7 -52.7 -41.5 5.4 -0.2 40.3 795 692 B H G < S+ 0 0 14 -3,-0.6 -378,-2.5 -4,-0.5 2,-0.7 0.382 96.1 101.1 -90.3 0.3 2.3 0.3 38.2 796 693 B Q B < -R 416 0M 2 -3,-1.7 -380,-0.2 -380,-0.2 2,-0.1 -0.827 67.0-140.2 -94.8 115.5 0.8 2.8 40.7 797 694 B E - 0 0 12 -382,-1.9 2,-0.3 -2,-0.7 -760,-0.1 -0.471 27.9-166.9 -62.6 140.2 1.0 6.5 40.0 798 695 B M - 0 0 1 -2,-0.1 -762,-0.5 -21,-0.1 2,-0.5 -0.953 19.2-141.1-137.1 149.2 1.7 8.4 43.2 799 696 B L - 0 0 0 -24,-0.5 -22,-2.5 -2,-0.3 2,-0.6 -0.961 16.7-156.5-114.0 127.4 1.6 11.9 44.4 800 697 B N B +C 33 0C 31 -767,-1.9 -767,-3.3 -2,-0.5 2,-0.3 -0.939 29.6 138.6-108.7 125.0 4.3 13.1 46.8 801 698 B Y - 0 0 1 -2,-0.6 2,-0.6 -769,-0.2 -285,-0.2 -0.962 48.5-101.0-153.8 166.3 3.7 16.0 49.0 802 699 B R + 0 0 85 -771,-0.4 -370,-1.5 -369,-0.3 -369,-0.6 -0.823 33.5 177.0-106.1 116.8 4.4 17.0 52.6 803 700 B L - 0 0 10 -2,-0.6 -372,-0.1 -289,-0.4 -289,-0.1 -0.790 28.3-101.6-103.7 150.0 1.9 16.9 55.4 804 701 B T S S+ 0 0 21 -2,-0.3 2,-0.2 2,-0.1 -127,-0.1 -0.907 96.4 61.0-111.9 153.6 2.4 17.7 59.1 805 702 B P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -128,-0.2 0.574 89.3 161.4 -53.4 154.5 2.7 16.1 61.6 806 703 B S E -B 676 0S 9 -130,-1.6 -130,-3.0 -2,-0.2 2,-0.4 -0.990 45.4-124.1-153.2 153.2 5.9 14.7 60.0 807 704 B F E -B 675 0S 29 -296,-0.5 2,-0.3 -2,-0.3 -132,-0.2 -0.899 34.7-170.1 -94.8 139.6 9.2 12.9 60.4 808 705 B E E -B 674 0S 40 -134,-3.0 -134,-2.5 -2,-0.4 2,-0.1 -0.893 25.8-113.1-128.0 153.8 12.3 14.7 59.0 809 706 B Y - 0 0 117 -2,-0.3 -136,-0.1 -136,-0.2 -361,-0.0 -0.477 36.0-168.4 -73.4 151.1 15.9 13.9 58.4 810 707 B Q - 0 0 8 -138,-0.4 -138,-0.0 -2,-0.1 -127,-0.0 -0.971 30.3 -91.0-136.5 155.3 18.3 15.9 60.6 811 708 B P - 0 0 69 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.370 53.2 -91.5 -67.6 151.3 22.0 16.3 60.3 812 709 B D >> - 0 0 29 1,-0.1 3,-1.2 2,-0.1 4,-0.6 -0.363 36.4-127.7 -56.3 136.8 24.1 13.8 62.3 813 710 B P H 3> S+ 0 0 3 0, 0.0 4,-3.3 0, 0.0 3,-0.4 0.733 102.0 69.9 -68.2 -20.3 24.7 15.4 65.7 814 711 B W H 34 S+ 0 0 45 1,-0.2 -2,-0.1 2,-0.2 -236,-0.0 0.770 98.3 51.4 -71.0 -20.0 28.5 14.9 65.6 815 712 B N H <4 S+ 0 0 114 -3,-1.2 -1,-0.2 1,-0.1 -3,-0.0 0.760 123.2 28.3 -79.8 -26.3 28.7 17.6 62.9 816 713 B T H < S+ 0 0 86 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.1 0.767 87.9 117.1-104.5 -31.3 26.7 20.1 64.9 817 714 B H < - 0 0 27 -4,-3.3 2,-0.9 -5,-0.1 -245,-0.0 -0.056 57.6-138.8 -52.1 131.5 27.3 19.3 68.6 818 715 B V - 0 0 117 -187,-0.1 -1,-0.1 -246,-0.1 2,-0.1 -0.802 27.2-133.7 -87.1 105.6 29.1 21.9 70.8 819 716 B W - 0 0 116 -2,-0.9 -187,-0.0 1,-0.1 -1,-0.0 -0.356 21.2-170.9 -65.5 134.1 31.5 19.8 72.9 820 717 B K 0 0 119 -2,-0.1 -1,-0.1 0, 0.0 -188,-0.0 0.673 360.0 360.0 -97.8 -22.1 31.4 20.7 76.5 821 718 B G 0 0 128 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.024 360.0 360.0 96.6 360.0 34.4 18.6 77.6