==== 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 21-JUN-10 3NLR . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,S.L.DELKER,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34613.0 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 . 15 1.8 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 . 73 8.9 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 . 221 27.0 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 1 2 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 . 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 . 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 0 197 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 -46.7 20.7 27.4 40.1 2 300 A F - 0 0 135 17,-0.1 2,-0.3 16,-0.0 15,-0.2 -0.943 360.0-167.0-112.1 104.9 23.8 25.1 40.1 3 301 A L E -A 16 0A 40 13,-1.8 13,-4.8 -2,-0.5 2,-0.3 -0.644 9.6-143.8 -99.5 148.1 22.4 21.8 41.5 4 302 A K E -A 15 0A 125 11,-0.3 2,-0.4 -2,-0.3 11,-0.2 -0.826 6.7-162.7-109.0 148.2 24.4 18.8 42.7 5 303 A V E -A 14 0A 0 9,-2.4 9,-2.7 -2,-0.3 2,-0.3 -0.999 11.7-157.1-127.5 128.1 23.6 15.2 42.3 6 304 A K E -A 13 0A 54 -2,-0.4 380,-2.3 7,-0.2 2,-0.6 -0.807 14.0-141.6-106.3 145.1 25.3 12.6 44.5 7 305 A N B > -B 385 0B 4 5,-2.2 4,-1.6 -2,-0.3 378,-0.2 -0.933 14.2-160.3 -97.9 124.8 25.8 8.9 43.9 8 306 A W T 4 S+ 0 0 94 376,-3.2 377,-0.1 -2,-0.6 -1,-0.1 0.478 86.9 51.8 -91.1 -3.8 25.3 7.3 47.2 9 307 A E T 4 S+ 0 0 42 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.736 127.8 19.9 -97.5 -32.3 27.2 4.1 46.4 10 308 A T T 4 S- 0 0 76 374,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.499 93.6-132.2-111.9 -10.8 30.4 5.8 45.1 11 309 A D < + 0 0 104 -4,-1.6 -3,-0.1 1,-0.2 2,-0.1 0.339 52.3 151.4 69.5 -4.8 30.0 9.3 46.7 12 310 A V - 0 0 66 -6,-0.1 -5,-2.2 1,-0.1 2,-0.4 -0.360 31.3-155.1 -59.2 129.9 30.8 11.0 43.5 13 311 A V E -A 6 0A 75 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.932 8.2-167.5-111.1 130.4 29.0 14.4 43.2 14 312 A L E -A 5 0A 28 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.5 -0.900 15.0-136.6-116.4 144.5 28.1 16.1 39.9 15 313 A T E -A 4 0A 62 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.866 15.6-149.8-102.8 129.8 27.1 19.8 39.4 16 314 A D E +A 3 0A 0 -13,-4.8 -13,-1.8 -2,-0.5 347,-0.2 -0.873 35.7 148.0-104.8 122.9 24.2 20.4 37.0 17 315 A T > + 0 0 51 345,-2.6 3,-1.7 -2,-0.6 4,-0.4 0.529 62.0 80.6-117.7 -21.0 24.0 23.7 35.1 18 316 A L G > S+ 0 0 5 344,-1.6 3,-1.5 1,-0.3 4,-0.2 0.797 78.9 71.8 -59.0 -30.5 22.2 22.4 32.0 19 317 A H G > S+ 0 0 21 343,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.756 83.7 68.0 -61.8 -24.3 18.9 22.5 33.7 20 318 A L G < S+ 0 0 68 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.833 95.1 56.2 -65.2 -30.3 19.0 26.3 33.5 21 319 A K G < S+ 0 0 144 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.468 83.3 124.8 -73.2 -2.3 18.5 25.9 29.8 22 320 A S < + 0 0 15 -3,-1.8 370,-0.2 -4,-0.2 -3,-0.0 -0.310 33.5 174.0 -61.5 144.0 15.4 23.9 30.5 23 321 A T + 0 0 57 368,-1.8 -1,-0.1 2,-0.1 369,-0.1 0.778 47.8 63.2-115.0 -66.1 12.4 25.3 28.8 24 322 A L S S- 0 0 52 367,-0.4 367,-0.4 1,-0.1 2,-0.2 0.066 82.3-102.4 -59.0 167.3 9.2 23.1 29.2 25 323 A E - 0 0 116 365,-0.1 415,-0.2 1,-0.1 -1,-0.1 -0.603 14.5-146.7-100.9 157.3 7.4 22.4 32.5 26 324 A T - 0 0 17 413,-2.6 414,-0.1 2,-0.3 413,-0.1 0.686 36.2-115.2 -98.0 -21.1 7.5 19.2 34.6 27 325 A G S S+ 0 0 32 1,-0.5 2,-0.1 412,-0.3 412,-0.1 0.089 82.9 110.8 98.6 -22.5 4.2 18.9 36.3 28 326 A C - 0 0 3 410,-0.3 -1,-0.5 5,-0.1 -2,-0.3 -0.456 44.6-174.1 -79.8 158.2 5.8 19.4 39.7 29 327 A T - 0 0 45 3,-2.4 408,-0.3 -2,-0.1 406,-0.2 -0.764 45.6 -93.9-131.9-179.3 5.4 22.4 41.9 30 328 A E S S+ 0 0 73 -2,-0.2 405,-2.6 1,-0.2 406,-0.3 0.727 127.3 45.5 -64.9 -23.5 7.0 23.4 45.2 31 329 A H S S+ 0 0 83 1,-0.2 771,-0.4 403,-0.2 2,-0.4 0.771 119.3 30.3 -90.6 -29.7 4.0 21.8 47.0 32 330 A I - 0 0 8 769,-0.1 -3,-2.4 405,-0.1 2,-0.6 -0.983 60.7-143.7-145.5 135.1 3.8 18.6 45.0 33 331 A C B +C 800 0C 10 767,-3.0 767,-1.8 -2,-0.4 3,-0.2 -0.835 12.8 178.7 -97.4 124.3 5.9 16.1 43.2 34 332 A M > + 0 0 22 -2,-0.6 3,-2.5 765,-0.2 -1,-0.1 0.177 41.0 126.5-103.8 15.7 4.5 14.5 40.1 35 333 A G T 3 S+ 0 0 18 1,-0.3 -1,-0.2 765,-0.1 334,-0.2 0.642 75.6 44.4 -46.7 -26.0 7.7 12.5 39.4 36 334 A S T 3 S+ 0 0 15 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.391 83.6 108.6-106.6 1.8 5.8 9.2 39.2 37 335 A I < - 0 0 10 -3,-2.5 -3,-0.1 760,-0.1 377,-0.1 -0.683 65.0-144.3 -72.3 124.5 2.8 10.4 37.1 38 336 A V S S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.827 92.9 15.8 -60.7 -37.0 3.2 8.8 33.6 39 337 A L 0 0 94 -3,-0.0 -1,-0.3 -12,-0.0 -12,-0.0 -0.808 360.0 360.0-137.3 92.7 1.8 11.9 31.8 40 338 A P 0 0 99 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 0.000 360.0 360.0 -63.8 360.0 1.8 15.0 34.2 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 98 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 145.7 1.8 30.6 15.7 43 351 A K H > + 0 0 86 1,-0.2 4,-1.2 2,-0.2 38,-0.1 0.793 360.0 50.9 -47.3 -34.7 4.1 32.9 13.7 44 352 A D H 4 S+ 0 0 128 2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.866 114.8 40.7 -71.3 -42.6 4.8 34.5 17.2 45 353 A Q H > S+ 0 0 115 -3,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.836 111.1 58.4 -76.5 -32.3 5.6 31.2 18.8 46 354 A L H X S+ 0 0 17 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.874 98.4 53.3 -72.7 -41.3 7.5 29.7 16.0 47 355 A F H X S+ 0 0 48 -4,-1.2 4,-3.1 2,-0.2 5,-0.2 0.933 106.9 50.7 -68.0 -40.9 10.3 32.2 15.6 48 356 A P H > S+ 0 0 71 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.950 114.6 46.6 -53.2 -47.9 11.5 32.2 19.2 49 357 A L H X S+ 0 0 53 -4,-1.3 4,-2.6 2,-0.2 219,-0.2 0.922 112.3 49.1 -59.9 -47.5 11.6 28.4 18.9 50 358 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.939 113.1 48.3 -56.8 -50.8 13.4 28.5 15.6 51 359 A K H X S+ 0 0 85 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.863 111.3 48.3 -57.0 -45.7 16.0 31.0 17.0 52 360 A E H X S+ 0 0 64 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.904 113.7 47.0 -71.1 -40.8 16.7 29.1 20.1 53 361 A F H X S+ 0 0 5 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.951 115.1 45.9 -60.0 -48.5 17.2 25.9 18.2 54 362 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.786 108.5 56.1 -71.3 -28.0 19.4 27.5 15.6 55 363 A D H X S+ 0 0 25 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.938 111.6 42.9 -69.5 -41.8 21.4 29.3 18.2 56 364 A Q H X S+ 0 0 49 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.915 113.8 52.8 -70.4 -36.5 22.2 25.9 19.9 57 365 A Y H X S+ 0 0 27 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.959 113.1 42.4 -57.7 -51.6 22.8 24.3 16.5 58 366 A Y H <>S+ 0 0 29 -4,-2.7 5,-3.9 1,-0.2 6,-0.3 0.765 114.3 50.6 -70.4 -27.7 25.4 27.0 15.4 59 367 A S H ><5S+ 0 0 62 -4,-1.7 3,-1.3 4,-0.2 -1,-0.2 0.855 106.4 55.7 -74.7 -38.5 27.0 27.1 18.8 60 368 A S H 3<5S+ 0 0 56 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.857 110.6 45.1 -59.6 -35.0 27.3 23.2 18.6 61 369 A I T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.413 119.1-116.6 -87.8 5.1 29.1 23.6 15.3 62 370 A K T < 5S+ 0 0 179 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.852 87.6 111.0 62.6 40.3 31.2 26.5 16.9 63 371 A R > < + 0 0 138 -5,-3.9 3,-0.6 -6,-0.1 6,-0.3 -0.119 38.0 155.6-127.0 30.2 29.9 29.1 14.5 64 372 A F T 3 S+ 0 0 129 -6,-0.3 2,-0.2 1,-0.2 3,-0.1 -0.402 74.1 6.9 -62.8 130.9 27.9 31.0 17.1 65 373 A G T 3 S+ 0 0 36 1,-0.2 5,-0.4 -2,-0.1 -1,-0.2 -0.114 96.3 141.6 91.2 -38.7 27.4 34.6 15.9 66 374 A S <> - 0 0 36 -3,-0.6 4,-2.8 -2,-0.2 -1,-0.2 0.326 67.6-112.2 -39.6 164.0 29.0 33.9 12.5 67 375 A K H > S+ 0 0 146 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.905 122.8 55.6 -67.4 -37.5 27.7 35.5 9.4 68 376 A A H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 109.9 46.8 -57.0 -43.3 26.6 32.0 8.3 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.982 114.9 45.0 -58.5 -59.5 24.7 31.8 11.6 70 378 A M H X S+ 0 0 80 -4,-2.8 4,-2.4 -5,-0.4 -2,-0.2 0.877 111.3 52.6 -56.3 -45.5 23.1 35.3 11.2 71 379 A D H X S+ 0 0 77 -4,-3.2 4,-3.0 1,-0.3 -1,-0.2 0.926 109.1 49.7 -58.4 -47.6 22.1 34.8 7.6 72 380 A R H X S+ 0 0 8 -4,-1.7 4,-2.3 -5,-0.3 5,-0.3 0.844 107.6 54.9 -56.8 -36.2 20.3 31.6 8.4 73 381 A L H X S+ 0 0 16 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.960 112.5 42.9 -66.7 -47.2 18.5 33.4 11.3 74 382 A E H X S+ 0 0 92 -4,-2.4 4,-3.8 1,-0.2 5,-0.2 0.896 112.9 53.2 -55.0 -48.3 17.2 36.0 8.7 75 383 A E H X S+ 0 0 94 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.866 113.0 42.1 -62.5 -40.7 16.4 33.3 6.2 76 384 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.909 115.3 51.6 -74.3 -40.1 14.3 31.3 8.6 77 385 A N H X S+ 0 0 49 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.938 109.2 48.9 -58.2 -48.2 12.8 34.4 9.9 78 386 A K H X S+ 0 0 124 -4,-3.8 4,-1.4 1,-0.2 -1,-0.2 0.854 113.6 48.6 -58.2 -33.4 11.9 35.6 6.4 79 387 A E H X S+ 0 0 51 -4,-1.3 4,-3.3 -5,-0.2 6,-0.7 0.861 112.2 45.9 -81.1 -38.3 10.4 32.2 5.6 80 388 A I H X S+ 0 0 4 -4,-2.8 4,-2.4 4,-0.2 -2,-0.2 0.957 112.0 53.1 -60.5 -50.4 8.3 32.1 8.8 81 389 A E H < S+ 0 0 118 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.839 124.6 26.4 -56.9 -36.2 7.2 35.6 8.2 82 390 A S H < S+ 0 0 94 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.913 132.9 30.6 -93.1 -54.0 6.1 34.7 4.7 83 391 A T H < S- 0 0 62 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.511 94.4-128.8 -88.8 -8.4 5.2 31.0 4.7 84 392 A S S < S+ 0 0 69 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.655 87.4 37.7 63.0 15.9 4.1 30.8 8.4 85 393 A T S S- 0 0 35 -6,-0.7 -2,-0.3 -9,-0.1 2,-0.3 -0.907 74.1-144.7-165.0-166.6 6.5 27.9 8.8 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.977 12.5-113.0-164.8 173.5 10.0 26.8 7.6 87 395 A Q - 0 0 94 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.911 25.0-125.6-122.5 141.9 12.2 23.9 6.6 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 5,-0.0 -0.666 23.3-119.0 -86.2 136.6 15.2 22.4 8.3 89 397 A K >> - 0 0 95 -2,-0.3 4,-1.6 1,-0.1 3,-0.6 -0.398 33.8-111.3 -54.2 149.7 18.5 22.0 6.5 90 398 A D H 3> S+ 0 0 98 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.872 120.9 55.7 -54.5 -43.3 19.4 18.3 6.5 91 399 A T H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.852 109.5 46.6 -59.0 -33.9 22.3 19.0 8.9 92 400 A E H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.707 109.9 53.9 -78.4 -26.6 19.7 20.6 11.3 93 401 A L H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.947 110.9 44.7 -76.5 -50.5 17.4 17.7 10.9 94 402 A I H X S+ 0 0 69 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.928 117.7 45.0 -55.0 -50.7 20.1 15.2 11.8 95 403 A Y H X S+ 0 0 26 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.944 112.4 52.3 -58.9 -50.1 21.3 17.3 14.8 96 404 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.942 112.7 44.0 -55.3 -48.0 17.7 17.9 15.9 97 405 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.868 111.8 51.6 -64.3 -39.6 16.9 14.2 15.9 98 406 A K H X S+ 0 0 50 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.922 112.5 48.4 -67.5 -40.9 20.1 13.2 17.6 99 407 A H H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.803 102.0 59.0 -68.5 -30.8 19.4 15.7 20.3 100 408 A A H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 296,-0.4 0.939 113.0 42.1 -63.2 -41.7 15.8 14.8 20.9 101 409 A W H >< S+ 0 0 36 -4,-1.8 3,-2.2 2,-0.2 -2,-0.2 0.973 112.1 54.3 -64.7 -53.5 17.2 11.3 21.8 102 410 A R H 3< S+ 0 0 31 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.880 112.4 45.4 -46.3 -39.2 20.1 12.9 23.7 103 411 A N T 3< S+ 0 0 9 -4,-2.6 2,-1.1 291,-0.2 289,-0.4 0.523 78.4 117.7 -86.0 -3.2 17.4 14.8 25.7 104 412 A A X - 0 0 26 -3,-2.2 3,-2.0 -4,-0.5 6,-0.2 -0.454 46.5-167.8 -70.0 98.0 15.1 11.9 26.3 105 413 A S T 3 S+ 0 0 22 -2,-1.1 262,-3.2 1,-0.3 -1,-0.2 0.699 81.9 54.1 -70.9 -10.5 15.2 11.8 30.2 106 414 A R T 3 S+ 0 0 52 260,-0.2 2,-0.5 264,-0.1 -1,-0.3 0.462 86.6 97.6 -96.9 -4.1 13.5 8.4 30.4 107 415 A C X - 0 0 41 -3,-2.0 3,-0.6 -6,-0.2 264,-0.1 -0.777 46.7-174.6 -96.3 123.2 15.9 6.6 28.0 108 416 A V T 3 S+ 0 0 21 -2,-0.5 3,-0.4 1,-0.2 -1,-0.1 0.633 80.6 68.6 -86.2 -15.6 18.7 4.6 29.6 109 417 A G T > + 0 0 28 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.296 62.0 113.1 -90.5 9.2 20.2 3.9 26.2 110 418 A R G X + 0 0 0 -3,-0.6 3,-3.2 1,-0.3 4,-0.2 0.612 49.3 86.8 -66.8 -10.0 21.3 7.4 25.4 111 419 A I G 3 S+ 0 0 49 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.821 92.5 53.2 -59.0 -23.1 25.1 6.7 25.6 112 420 A Q G X S+ 0 0 54 -3,-1.5 3,-2.9 1,-0.2 4,-0.3 0.424 75.5 116.4 -81.8 -4.8 24.5 5.8 21.9 113 421 A W G X + 0 0 41 -3,-3.2 3,-1.1 1,-0.3 -1,-0.2 0.737 69.2 53.0 -51.9 -39.9 22.8 9.1 21.0 114 422 A S G 3 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.647 97.9 67.8 -72.6 -11.1 25.3 10.5 18.5 115 423 A K G < + 0 0 143 -3,-2.9 -1,-0.2 -17,-0.1 -2,-0.2 0.547 67.5 135.8 -87.8 -1.5 25.2 7.3 16.4 116 424 A L < - 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0 0 38 -5,-1.3 2,-1.0 9,-0.0 -1,-0.2 -0.644 53.7 -96.3 -94.0 153.3 8.1 -23.9 43.1 309 617 A D + 0 0 63 -2,-0.2 3,-0.4 1,-0.2 8,-0.3 -0.617 45.0 173.2 -77.2 105.1 6.0 -23.5 46.3 310 618 A M + 0 0 50 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.110 52.7 99.9 -99.0 18.6 3.4 -21.0 45.1 311 619 A R S S+ 0 0 216 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.893 88.0 24.3 -72.2 -40.6 1.6 -21.4 48.3 312 620 A K > - 0 0 80 -3,-0.4 3,-1.6 1,-0.1 5,-0.4 -0.959 68.2-132.5-131.3 145.0 2.9 -18.2 49.9 313 621 A T G > S+ 0 0 49 -2,-0.3 3,-2.1 1,-0.3 5,-0.2 0.830 101.6 73.5 -60.0 -28.3 4.3 -15.0 48.5 314 622 A S G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 427,-0.1 0.494 78.1 71.2 -72.7 -4.4 7.2 -15.4 50.9 315 623 A S G < S- 0 0 19 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 0.618 99.7-134.2 -77.8 -12.2 8.9 -18.2 49.0 316 624 A L <> + 0 0 0 -3,-2.1 4,-2.3 -4,-0.2 -2,-0.1 0.790 52.6 152.4 61.1 31.2 9.7 -15.5 46.5 317 625 A W H > S+ 0 0 14 -5,-0.4 4,-3.0 -8,-0.3 5,-0.3 0.881 70.3 52.3 -63.0 -36.4 8.5 -17.9 43.7 318 626 A K H > S+ 0 0 65 1,-0.2 4,-2.8 -5,-0.2 -1,-0.2 0.912 109.5 49.4 -62.8 -40.9 7.6 -14.9 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.877 112.1 48.6 -66.1 -37.2 11.0 -13.5 42.0 320 628 A Q H X S+ 0 0 36 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.969 114.2 44.0 -64.8 -55.6 12.6 -16.9 41.1 321 629 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.891 110.8 57.2 -54.1 -42.8 10.5 -17.4 38.0 322 630 A L H X S+ 0 0 1 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.931 106.5 47.1 -60.9 -47.4 11.1 -13.8 37.0 323 631 A V H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.933 114.4 48.6 -55.8 -43.6 14.9 -14.1 37.1 324 632 A E H >X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 3,-0.7 0.968 108.1 52.5 -64.8 -51.5 14.7 -17.3 35.0 325 633 A I H 3X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.3 -1,-0.2 0.822 113.4 46.5 -46.1 -39.8 12.3 -15.8 32.4 326 634 A N H 3X S+ 0 0 2 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.3 0.777 107.3 54.3 -83.5 -22.5 14.8 -13.0 32.0 327 635 A I H S+ 0 0 0 -4,-2.5 5,-3.1 2,-0.2 -2,-0.2 0.907 114.4 46.9 -65.9 -43.0 18.8 -13.3 21.7 334 642 A Q H ><5S+ 0 0 76 -4,-2.4 3,-2.6 -5,-0.3 -2,-0.2 0.962 110.2 52.6 -65.8 -50.4 22.5 -14.0 22.2 335 643 A S H 3<5S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.870 113.6 44.0 -48.1 -48.4 22.2 -17.6 20.9 336 644 A D T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.227 116.4-118.0 -83.6 9.0 20.5 -16.3 17.7 337 645 A K T < 5 + 0 0 163 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.870 63.7 144.6 56.9 41.8 23.0 -13.4 17.5 338 646 A V < - 0 0 7 -5,-3.1 -1,-0.2 -6,-0.1 -192,-0.2 -0.933 56.5-106.6-109.5 132.3 20.5 -10.6 17.8 339 647 A T + 0 0 42 -194,-2.5 -59,-0.5 -2,-0.5 2,-0.3 -0.302 53.7 149.4 -56.8 136.5 21.6 -7.6 19.7 340 648 A I - 0 0 20 -61,-0.1 2,-0.4 -2,-0.1 -59,-0.2 -0.955 30.6-144.1-160.0 149.5 20.1 -7.2 23.2 341 649 A V B -o 281 0J 29 -61,-2.6 -59,-3.3 -2,-0.3 -58,-0.2 -0.941 13.0-129.5-121.2 146.9 21.6 -5.7 26.4 342 650 A D > - 0 0 11 -2,-0.4 4,-2.8 -61,-0.2 5,-0.2 -0.515 27.6-112.4 -83.6 161.1 21.2 -6.8 30.0 343 651 A H H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.735 114.9 54.7 -67.7 -20.5 20.1 -4.3 32.7 344 652 A H H > S+ 0 0 11 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.971 113.6 39.9 -76.5 -47.1 23.4 -4.4 34.4 345 653 A S H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 116.5 50.6 -64.9 -44.5 25.3 -3.5 31.3 346 654 A A H X S+ 0 0 8 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.944 114.0 43.0 -60.6 -48.9 22.8 -0.9 30.1 347 655 A T H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.855 112.6 53.4 -69.9 -35.3 22.6 0.9 33.5 348 656 A E H X S+ 0 0 128 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.935 110.1 47.3 -64.5 -41.4 26.4 0.8 33.9 349 657 A S H X S+ 0 0 32 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.857 109.0 55.6 -67.3 -34.7 26.9 2.3 30.5 350 658 A F H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.863 102.5 54.6 -65.5 -34.6 24.3 5.0 31.3 351 659 A I H X S+ 0 0 18 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.943 109.9 47.8 -64.6 -45.5 26.2 6.0 34.5 352 660 A K H X S+ 0 0 136 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.922 111.1 51.8 -52.9 -47.0 29.3 6.5 32.2 353 661 A H H X S+ 0 0 4 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.957 107.9 51.4 -61.0 -48.5 27.0 8.5 29.8 354 662 A M H X S+ 0 0 1 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.944 110.6 48.4 -50.1 -51.9 25.8 10.7 32.7 355 663 A E H X S+ 0 0 80 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.871 111.3 49.8 -59.3 -38.1 29.4 11.4 33.7 356 664 A N H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.933 113.1 47.2 -63.5 -46.6 30.3 12.2 30.1 357 665 A E H X>S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 6,-1.7 0.849 107.7 56.3 -62.4 -39.3 27.3 14.6 29.9 358 666 A Y H X5S+ 0 0 15 -4,-3.0 4,-0.9 4,-0.3 -1,-0.2 0.969 116.8 34.3 -60.4 -49.9 28.0 16.3 33.2 359 667 A R H <5S+ 0 0 177 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.782 127.7 38.5 -76.9 -21.5 31.5 17.3 32.1 360 668 A C H <5S+ 0 0 83 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.785 135.4 13.2 -98.9 -28.3 30.7 17.8 28.5 361 669 A R H <5S- 0 0 48 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.547 102.7-108.0-124.1 -16.3 27.3 19.5 28.5 362 670 A G S <> - 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