==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JAN-12 4DAW . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MAKSIMOSKA,R.MARMORSTEIN . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 1 0 0 2 2 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 0 2 2 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 . 1 0 1 0 1 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 1 249 A S > 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 138.0 -14.3 38.3 -13.7 2 250 A D H > + 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.840 360.0 47.9 -55.9 -39.1 -11.7 41.1 -14.3 3 251 A E H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 110.4 50.4 -70.7 -41.4 -12.8 43.1 -11.2 4 252 A E H > S+ 0 0 140 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.851 111.1 51.1 -63.1 -37.0 -12.7 40.0 -8.9 5 253 A I H X S+ 0 0 27 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.920 108.5 49.8 -67.0 -46.9 -9.2 39.3 -10.2 6 254 A L H X S+ 0 0 68 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.838 112.8 47.4 -60.6 -36.0 -7.9 42.8 -9.6 7 255 A E H X S+ 0 0 110 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.880 111.3 49.3 -77.9 -41.1 -9.2 42.8 -6.0 8 256 A K H X S+ 0 0 96 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.917 113.8 47.2 -59.8 -45.8 -7.8 39.4 -5.2 9 257 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.4 0.908 107.3 57.8 -61.5 -41.6 -4.5 40.6 -6.6 10 258 A R H < S+ 0 0 159 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 105.7 49.6 -55.0 -42.0 -4.8 43.8 -4.5 11 259 A S H < S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.3 46.3 -66.5 -30.0 -5.1 41.7 -1.3 12 260 A I H < S+ 0 0 21 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.896 100.7 74.0 -79.4 -44.6 -2.0 39.7 -2.3 13 261 A V S < S- 0 0 18 -4,-2.5 73,-0.2 1,-0.1 2,-0.2 -0.156 84.6-103.4 -77.3 160.5 0.5 42.4 -3.3 14 262 A S B -a 86 0A 44 71,-2.8 73,-0.6 1,-0.1 -1,-0.1 -0.476 47.2-101.7 -72.0 155.0 2.4 45.0 -1.3 15 263 A V S S+ 0 0 140 -2,-0.2 -1,-0.1 71,-0.1 73,-0.1 -0.387 73.5 15.8 -78.6 155.7 1.1 48.5 -1.4 16 264 A G S S- 0 0 51 71,-0.2 71,-0.3 -2,-0.1 -2,-0.0 -0.244 96.3 -33.0 90.1-168.2 2.4 51.4 -3.4 17 265 A D > - 0 0 78 1,-0.1 3,-1.4 69,-0.1 4,-0.3 -0.854 37.1-154.6-101.9 121.4 4.7 51.9 -6.4 18 266 A P G >> S+ 0 0 5 0, 0.0 3,-1.5 0, 0.0 4,-1.5 0.681 87.5 77.6 -66.8 -18.6 7.6 49.5 -6.8 19 267 A K G 34 S+ 0 0 125 1,-0.3 -3,-0.0 2,-0.2 -2,-0.0 0.708 89.7 57.2 -65.0 -21.6 9.6 52.2 -8.8 20 268 A K G <4 S+ 0 0 85 -3,-1.4 -1,-0.3 1,-0.1 3,-0.1 0.694 112.4 41.2 -74.4 -22.9 10.3 53.8 -5.4 21 269 A K T <4 S+ 0 0 71 -3,-1.5 21,-2.7 -4,-0.3 22,-0.4 0.630 113.5 48.3-104.6 -17.9 11.9 50.5 -4.3 22 270 A Y E < +B 41 0A 9 -4,-1.5 2,-0.2 19,-0.2 19,-0.2 -0.969 57.6 170.1-131.0 144.0 13.9 49.4 -7.3 23 271 A T E +B 40 0A 68 17,-2.4 17,-3.3 -2,-0.4 -3,-0.0 -0.743 49.7 56.8-136.1-178.4 16.3 51.1 -9.7 24 272 A R E - 0 0 177 -2,-0.2 2,-0.2 15,-0.2 -1,-0.1 0.895 69.7-166.6 57.6 47.3 18.8 50.3 -12.5 25 273 A F E + 0 0 80 -3,-0.1 2,-0.3 14,-0.1 14,-0.2 -0.449 14.7 172.1 -70.6 132.4 16.2 48.6 -14.7 26 274 A E E -B 38 0A 47 12,-2.1 12,-2.8 -2,-0.2 2,-0.2 -0.945 31.2-125.8-143.7 120.6 17.4 46.5 -17.7 27 275 A K E +B 37 0A 80 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.421 32.1 166.9 -59.6 128.6 15.3 44.3 -20.0 28 276 A I E + 0 0 94 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.415 65.2 2.5-122.9 -4.8 16.7 40.8 -20.2 29 277 A G E -B 36 0A 34 7,-1.4 7,-2.0 2,-0.0 -1,-0.4 -0.960 53.5-170.5-172.1 160.9 13.7 39.0 -21.8 30 278 A Q E +B 35 0A 81 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.902 30.1 106.1-163.7 134.4 10.2 39.6 -23.2 31 279 A G E > S-B 34 0A 55 3,-2.3 3,-1.8 -2,-0.3 -2,-0.0 -0.887 77.3 -32.6-175.4-156.3 7.4 37.2 -24.3 32 280 A A T 3 S+ 0 0 101 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 0.801 129.5 53.4 -57.4 -33.9 4.0 35.6 -23.6 33 281 A S T 3 S- 0 0 61 1,-0.3 -1,-0.3 25,-0.1 2,-0.3 0.478 120.6-104.8 -80.4 -3.9 4.7 35.7 -19.8 34 282 A G E < -B 31 0A 17 -3,-1.8 -3,-2.3 19,-0.1 2,-0.4 -0.766 52.0 -41.7 113.4-162.4 5.5 39.5 -19.9 35 283 A T E -BC 30 52A 35 17,-1.9 17,-3.3 -2,-0.3 2,-0.4 -0.906 47.7-153.2-108.1 134.8 8.7 41.4 -19.8 36 284 A V E -BC 29 51A 34 -7,-2.0 -8,-2.8 -2,-0.4 -7,-1.4 -0.899 14.1-178.9-107.3 138.5 11.6 40.6 -17.4 37 285 A Y E -BC 27 50A 51 13,-2.4 13,-2.8 -2,-0.4 2,-0.3 -0.923 26.2-130.8-124.3 151.3 14.1 43.1 -16.1 38 286 A T E +BC 26 49A 13 -12,-2.8 -12,-2.1 -2,-0.3 2,-0.3 -0.777 40.4 166.9 -85.4 148.9 17.1 43.0 -13.9 39 287 A A E - C 0 48A 0 9,-2.0 9,-3.1 -2,-0.3 2,-0.5 -0.964 34.1-112.7-155.0 167.7 17.0 45.7 -11.2 40 288 A M E -BC 23 47A 40 -17,-3.3 -17,-2.4 -2,-0.3 2,-0.5 -0.934 24.9-125.8-110.3 126.6 18.6 46.7 -8.0 41 289 A D E > -B 22 0A 9 5,-3.0 4,-1.8 -2,-0.5 -19,-0.2 -0.610 21.7-145.5 -64.0 121.2 16.8 46.7 -4.7 42 290 A V T 4 S+ 0 0 92 -21,-2.7 -1,-0.2 -2,-0.5 -20,-0.1 0.731 91.2 42.9 -66.6 -22.9 17.4 50.3 -3.5 43 291 A A T 4 S+ 0 0 79 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.856 127.5 20.6 -92.2 -43.2 17.6 49.3 0.2 44 292 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.522 91.9-125.1-109.5 -12.9 19.7 46.1 0.3 45 293 A G < + 0 0 43 -4,-1.8 2,-0.2 1,-0.3 -3,-0.1 0.514 56.4 152.8 74.6 5.1 21.6 46.3 -3.0 46 294 A Q - 0 0 74 -6,-0.1 -5,-3.0 1,-0.1 2,-0.5 -0.463 46.6-126.8 -64.3 132.0 20.3 42.8 -3.9 47 295 A E E -C 40 0A 91 -7,-0.2 51,-1.2 -2,-0.2 2,-0.3 -0.733 37.0-172.8 -81.4 129.7 20.0 42.3 -7.7 48 296 A V E -CD 39 97A 0 -9,-3.1 -9,-2.0 -2,-0.5 2,-0.5 -0.795 26.8-129.9-123.9 162.2 16.5 41.1 -8.6 49 297 A A E -CD 38 96A 14 47,-2.9 47,-3.2 -2,-0.3 2,-0.5 -0.974 24.9-162.8-111.6 119.6 14.5 39.9 -11.5 50 298 A I E -CD 37 95A 2 -13,-2.8 -13,-2.4 -2,-0.5 2,-0.6 -0.919 6.7-157.5-108.3 123.9 11.2 41.7 -12.1 51 299 A R E -CD 36 94A 36 43,-3.0 43,-2.8 -2,-0.5 2,-0.4 -0.901 14.4-160.3 -97.3 115.9 8.5 40.2 -14.2 52 300 A Q E -CD 35 93A 39 -17,-3.3 -17,-1.9 -2,-0.6 2,-0.4 -0.837 10.1-176.5-101.7 133.7 6.2 42.9 -15.5 53 301 A M E - D 0 92A 6 39,-3.0 39,-2.8 -2,-0.4 2,-0.7 -0.993 25.1-148.4-134.3 131.0 2.6 42.1 -16.7 54 302 A N E > - D 0 91A 62 -2,-0.4 3,-1.5 37,-0.2 37,-0.2 -0.882 17.4-153.5 -88.8 116.8 -0.2 44.2 -18.2 55 303 A L G > S+ 0 0 7 35,-2.8 3,-1.2 -2,-0.7 -1,-0.1 0.692 88.3 70.7 -69.0 -20.7 -3.3 42.3 -17.0 56 304 A Q G 3 S+ 0 0 87 1,-0.2 -1,-0.3 34,-0.2 35,-0.1 0.678 104.3 43.2 -66.2 -19.1 -5.3 43.5 -20.0 57 305 A Q G < S+ 0 0 139 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 -0.092 88.8 99.6-121.8 33.3 -3.2 41.2 -22.2 58 306 A Q < - 0 0 32 -3,-1.2 3,-0.4 1,-0.1 -25,-0.1 -0.975 50.4-168.8-115.2 115.5 -3.2 38.1 -19.9 59 307 A P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.728 82.1 39.8 -75.2 -23.9 -5.8 35.5 -21.0 60 308 A K >> + 0 0 130 1,-0.1 3,-1.3 2,-0.0 4,-0.6 -0.617 61.0 159.8-131.0 70.0 -5.5 33.3 -18.0 61 309 A K H 3> S+ 0 0 44 -3,-0.4 4,-1.8 -2,-0.3 3,-0.4 0.744 70.1 70.5 -68.6 -27.1 -5.2 35.5 -14.9 62 310 A E H 3> S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.821 96.0 55.6 -51.5 -36.1 -6.4 32.7 -12.6 63 311 A L H <> S+ 0 0 68 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.811 104.0 50.6 -74.4 -32.2 -3.1 31.1 -13.3 64 312 A I H X S+ 0 0 10 -4,-0.6 4,-2.4 -3,-0.4 5,-0.2 0.897 109.6 50.3 -74.0 -39.9 -0.9 34.1 -12.2 65 313 A I H X S+ 0 0 20 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.965 114.3 45.6 -57.1 -52.0 -2.8 34.4 -8.9 66 314 A N H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.900 110.0 56.3 -54.5 -43.4 -2.2 30.6 -8.4 67 315 A E H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 111.5 40.6 -55.7 -50.9 1.4 31.1 -9.4 68 316 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.892 114.4 52.0 -68.0 -43.7 2.1 33.7 -6.7 69 317 A L H X S+ 0 0 42 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.880 111.1 47.5 -61.1 -41.4 0.1 32.0 -4.0 70 318 A V H X S+ 0 0 1 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.938 114.0 47.2 -65.9 -45.4 2.0 28.7 -4.6 71 319 A M H >< S+ 0 0 7 -4,-2.1 3,-1.0 -5,-0.3 11,-0.2 0.938 110.1 53.8 -59.9 -45.6 5.4 30.5 -4.6 72 320 A R H 3< S+ 0 0 104 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.881 117.3 35.2 -55.7 -42.2 4.5 32.4 -1.4 73 321 A E H 3< S+ 0 0 125 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.296 113.4 57.6-103.9 6.9 3.6 29.3 0.6 74 322 A N << + 0 0 14 -3,-1.0 -1,-0.2 -4,-0.7 2,-0.2 -0.389 66.5 166.2-133.5 57.8 6.2 26.8 -0.8 75 323 A K + 0 0 98 -3,-0.3 5,-0.1 6,-0.0 6,-0.1 -0.518 7.9 161.6 -74.9 142.4 9.5 28.4 -0.2 76 324 A N > - 0 0 37 3,-0.4 3,-2.3 -2,-0.2 52,-0.1 -0.968 50.6-116.4-163.2 141.7 12.6 26.1 -0.6 77 325 A P T 3 S+ 0 0 100 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.762 118.8 48.4 -52.2 -29.0 16.4 26.4 -1.1 78 326 A N T 3 S+ 0 0 12 78,-0.1 79,-3.0 49,-0.1 2,-0.4 0.175 98.4 80.9-102.2 15.9 16.0 24.7 -4.5 79 327 A I B < S-f 157 0B 8 -3,-2.3 -3,-0.4 77,-0.3 79,-0.2 -0.989 93.7-106.3-118.6 129.9 13.1 26.9 -5.6 80 328 A V - 0 0 4 77,-2.4 2,-0.3 -2,-0.4 79,-0.1 -0.303 49.1-106.3 -54.1 127.7 13.9 30.4 -7.0 81 329 A N - 0 0 54 -4,-0.1 16,-2.4 1,-0.1 2,-0.5 -0.458 22.3-144.7 -72.4 122.9 12.9 32.8 -4.3 82 330 A Y E + E 0 96A 16 -2,-0.3 14,-0.2 -11,-0.2 3,-0.1 -0.738 23.0 177.0 -79.1 124.6 9.7 34.9 -4.7 83 331 A L E - 0 0 55 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.869 47.6 -35.4-100.5 -46.1 10.4 38.2 -3.1 84 332 A D E - E 0 95A 27 11,-1.4 11,-3.3 2,-0.0 -1,-0.4 -0.975 43.8-141.3-172.3 162.3 7.4 40.6 -3.5 85 333 A S E - E 0 94A 0 -2,-0.3 -71,-2.8 9,-0.2 2,-0.3 -0.976 12.2-169.4-141.0 155.4 4.6 41.7 -5.8 86 334 A Y E -aE 14 93A 19 7,-2.1 7,-3.0 -2,-0.3 2,-0.4 -0.971 8.7-156.9-141.0 151.1 3.0 45.0 -6.7 87 335 A L E + E 0 92A 30 -73,-0.6 2,-0.5 -71,-0.3 5,-0.2 -0.961 11.1 176.1-135.7 116.6 -0.1 46.2 -8.6 88 336 A V E > - E 0 91A 55 3,-2.6 3,-2.6 -2,-0.4 2,-0.3 -0.949 68.8 -57.2-120.7 106.6 -0.3 49.6 -10.1 89 337 A G T 3 S- 0 0 61 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.456 123.3 -16.8 56.3-119.6 -3.5 50.0 -12.1 90 338 A D T 3 S+ 0 0 46 -2,-0.3 -35,-2.8 -3,-0.1 2,-0.8 0.361 117.0 103.9 -90.4 2.5 -3.4 47.2 -14.6 91 339 A E E < -DE 54 88A 64 -3,-2.6 -3,-2.6 -37,-0.2 2,-0.4 -0.775 51.8-169.2 -99.2 105.0 0.3 46.7 -14.2 92 340 A L E -DE 53 87A 0 -39,-2.8 -39,-3.0 -2,-0.8 2,-0.5 -0.777 1.8-165.1 -92.4 134.1 1.3 43.6 -12.1 93 341 A W E -DE 52 86A 11 -7,-3.0 -7,-2.1 -2,-0.4 2,-0.5 -0.980 5.5-167.6-119.6 126.7 4.9 43.2 -11.0 94 342 A V E -DE 51 85A 0 -43,-2.8 -43,-3.0 -2,-0.5 2,-0.5 -0.969 11.6-154.6-112.8 120.6 6.4 40.0 -9.6 95 343 A V E +DE 50 84A 0 -11,-3.3 -12,-2.9 -2,-0.5 -11,-1.4 -0.844 18.9 172.7-101.6 123.9 9.8 40.4 -7.9 96 344 A M E -DE 49 82A 11 -47,-3.2 -47,-2.9 -2,-0.5 -14,-0.2 -0.833 40.6 -93.0-123.1 158.2 12.1 37.3 -7.9 97 345 A E E -D 48 0A 30 -16,-2.4 2,-0.5 -2,-0.3 -49,-0.2 -0.473 46.1-124.6 -64.3 144.3 15.7 36.7 -6.8 98 346 A Y - 0 0 66 -51,-1.2 2,-0.6 -2,-0.1 -51,-0.1 -0.828 16.4-157.6 -95.8 131.4 18.0 37.0 -9.9 99 347 A L > - 0 0 21 -2,-0.5 3,-1.0 1,-0.1 50,-0.2 -0.941 1.3-164.4-109.0 110.8 20.3 34.1 -10.8 100 348 A A T 3 S+ 0 0 25 -2,-0.6 50,-0.2 1,-0.2 -1,-0.1 0.493 75.3 76.7 -75.3 -3.8 23.2 35.5 -12.8 101 349 A G T 3 S- 0 0 5 48,-1.7 -1,-0.2 1,-0.3 49,-0.2 0.237 91.5-135.5 -94.2 12.5 24.3 32.0 -14.1 102 350 A G < - 0 0 27 -3,-1.0 47,-2.7 47,-0.1 -1,-0.3 -0.332 39.2 -43.4 75.4-151.8 21.5 31.7 -16.7 103 351 A S B > -G 148 0B 16 45,-0.2 4,-1.2 1,-0.1 45,-0.2 -0.700 44.1-112.1-111.0 167.7 19.5 28.4 -17.2 104 352 A L H > S+ 0 0 1 43,-2.2 4,-2.7 40,-1.2 5,-0.2 0.772 115.9 67.0 -65.3 -27.2 20.4 24.7 -17.5 105 353 A T H > S+ 0 0 26 39,-0.7 4,-1.9 42,-0.3 5,-0.2 0.921 98.4 50.6 -58.9 -44.7 19.4 25.0 -21.2 106 354 A D H > S+ 0 0 44 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 111.8 48.4 -58.7 -43.8 22.4 27.3 -21.8 107 355 A V H X S+ 0 0 4 -4,-1.2 4,-2.2 1,-0.2 3,-0.3 0.953 113.8 43.9 -63.2 -50.7 24.7 24.7 -20.0 108 356 A V H < S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 117.6 45.6 -69.9 -24.3 23.4 21.7 -21.9 109 357 A T H < S+ 0 0 78 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.726 124.8 30.5 -88.7 -21.3 23.4 23.5 -25.3 110 358 A E H < S+ 0 0 93 -4,-1.5 2,-0.2 -3,-0.3 -2,-0.2 0.547 120.0 34.9-115.0 -15.6 26.9 25.1 -24.9 111 359 A T S < S- 0 0 23 -4,-2.2 2,-0.5 -5,-0.2 174,-0.0 -0.794 70.1-118.0-134.7 176.7 28.9 22.7 -22.8 112 360 A C - 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0 0 5 0, 0.0 3,-1.3 0, 0.0 -32,-0.1 -0.433 59.4 -83.1 -70.2 156.9 15.2 16.0 -25.4 215 463 A P T 3 S+ 0 0 20 0, 0.0 13,-0.1 0, 0.0 -7,-0.0 -0.343 114.1 15.7 -57.4 146.7 14.2 13.2 -27.6 216 464 A Y T > S+ 0 0 51 1,-0.1 3,-1.6 -3,-0.1 8,-0.2 0.604 77.0 142.3 69.3 15.8 12.2 14.2 -30.7 217 465 A L T < S+ 0 0 67 -3,-1.3 -1,-0.1 1,-0.3 7,-0.1 0.874 70.8 53.2 -55.7 -40.3 13.1 17.9 -30.4 218 466 A N T 3 S+ 0 0 101 2,-0.1 -1,-0.3 6,-0.0 2,-0.1 0.622 96.1 89.6 -71.0 -15.5 13.4 18.3 -34.2 219 467 A E S < S- 0 0 77 -3,-1.6 0, 0.0 1,-0.1 0, 0.0 -0.460 94.0 -91.4 -80.5 153.8 9.9 16.8 -34.7 220 468 A N >> - 0 0 91 -2,-0.1 4,-2.5 1,-0.1 3,-0.9 -0.403 39.0-119.5 -54.3 137.3 6.6 18.8 -34.8 221 469 A P H 3> S+ 0 0 58 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.822 114.6 56.6 -55.0 -33.4 5.3 18.9 -31.2 222 470 A L H 3> S+ 0 0 146 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.830 110.5 43.4 -65.5 -35.8 2.1 17.1 -32.4 223 471 A R H <> S+ 0 0 148 -3,-0.9 4,-2.7 2,-0.2 3,-0.4 0.924 107.0 60.9 -74.3 -46.6 4.2 14.2 -33.7 224 472 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.844 102.9 50.8 -46.8 -44.8 6.5 14.1 -30.6 225 473 A L H X S+ 0 0 27 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.869 111.0 47.5 -69.0 -38.1 3.5 13.4 -28.3 226 474 A Y H X S+ 0 0 151 -4,-0.9 4,-1.6 -3,-0.4 -1,-0.2 0.886 112.8 51.5 -61.9 -42.0 2.4 10.5 -30.5 227 475 A L H X S+ 0 0 30 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.909 108.7 50.1 -62.7 -44.0 6.1 9.4 -30.5 228 476 A I H X S+ 0 0 8 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.934 112.3 46.4 -58.9 -49.4 6.3 9.5 -26.7 229 477 A A H < S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.785 121.6 37.0 -65.8 -29.8 3.1 7.4 -26.2 230 478 A T H < S+ 0 0 76 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.778 121.3 40.9 -96.8 -31.6 4.1 4.8 -28.8 231 479 A N H < S- 0 0 90 -4,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.750 85.9-174.0 -84.8 -26.1 7.9 4.5 -28.2 232 480 A G < + 0 0 7 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.1 -0.524 60.6 33.0 69.5-127.1 7.6 4.7 -24.4 233 481 A T S S- 0 0 49 -2,-0.3 22,-0.1 1,-0.1 18,-0.0 -0.462 93.9-122.9 -64.1 120.2 10.9 4.8 -22.7 234 482 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.319 20.1-122.9 -69.6 150.9 13.2 6.8 -25.0 235 483 A E - 0 0 104 1,-0.0 2,-0.1 -2,-0.0 3,-0.0 -0.773 17.8-128.4 -99.0 133.8 16.5 5.3 -26.3 236 484 A L - 0 0 38 -2,-0.4 -29,-0.0 1,-0.1 -1,-0.0 -0.460 11.9-133.4 -75.2 152.2 19.8 6.9 -25.7 237 485 A Q S S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.898 101.6 15.3 -73.1 -41.0 22.1 7.3 -28.7 238 486 A N > + 0 0 88 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.558 68.3 163.0-133.0 70.4 25.2 6.0 -26.9 239 487 A P G > S+ 0 0 56 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.749 73.0 68.1 -60.6 -23.5 24.0 4.1 -23.8 240 488 A E G 3 S+ 0 0 132 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.677 88.2 64.6 -72.0 -19.2 27.4 2.4 -23.5 241 489 A K G < S+ 0 0 117 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.638 91.2 84.6 -75.0 -15.1 29.2 5.7 -22.7 242 490 A L S < S- 0 0 19 -3,-1.3 2,-0.0 -4,-0.3 -32,-0.0 -0.652 85.9-109.2 -94.0 147.7 27.2 5.9 -19.4 243 491 A S > - 0 0 40 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.311 30.6-114.6 -63.8 152.3 28.1 4.2 -16.1 244 492 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 116.8 52.6 -56.7 -37.4 25.9 1.3 -15.0 245 493 A I H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.859 109.0 48.4 -71.2 -35.4 24.6 3.3 -12.0 246 494 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.903 110.6 51.8 -68.3 -41.4 23.6 6.3 -14.2 247 495 A R H X S+ 0 0 105 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.915 109.9 49.8 -59.8 -42.7 21.8 3.9 -16.6 248 496 A D H X S+ 0 0 60 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.915 110.3 50.2 -59.4 -47.4 19.9 2.5 -13.6 249 497 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.916 111.0 48.6 -57.6 -48.0 19.0 6.0 -12.4 250 498 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.898 109.3 52.6 -59.0 -44.7 17.7 7.0 -15.9 251 499 A N H < S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.825 107.9 51.4 -60.7 -35.5 15.6 3.7 -16.1 252 500 A R H < S+ 0 0 124 -4,-1.7 10,-2.4 1,-0.2 3,-0.4 0.811 113.6 44.9 -72.5 -30.9 14.0 4.5 -12.8 253 501 A C H < S+ 0 0 0 -4,-1.6 -50,-0.2 8,-0.2 -2,-0.2 0.820 117.8 43.2 -75.9 -35.8 13.1 8.0 -13.9 254 502 A L S < S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.115 78.8 142.8-104.0 22.4 11.8 6.9 -17.3 255 503 A E - 0 0 53 -3,-0.4 6,-0.1 1,-0.1 -3,-0.1 -0.412 44.3-149.2 -66.7 131.4 9.8 3.8 -16.3 256 504 A M S S+ 0 0 76 -2,-0.1 2,-0.8 4,-0.1 -1,-0.1 0.864 83.9 75.8 -67.4 -41.1 6.6 3.3 -18.2 257 505 A D S >> S- 0 0 79 1,-0.2 4,-2.2 2,-0.0 3,-0.6 -0.685 74.5-154.3 -76.0 110.6 4.8 1.7 -15.3 258 506 A V T 34 S+ 0 0 52 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.857 94.0 54.8 -57.5 -38.3 4.0 4.7 -13.0 259 507 A E T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.862 112.6 43.0 -62.5 -37.0 4.0 2.4 -10.0 260 508 A K T <4 S+ 0 0 143 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.770 92.6 99.9 -81.4 -29.0 7.5 1.2 -10.8 261 509 A R S < S- 0 0 1 -4,-2.2 -8,-0.2 -6,-0.1 -9,-0.1 -0.316 85.4-102.5 -55.6 138.6 8.8 4.7 -11.7 262 510 A G - 0 0 6 -10,-2.4 2,-0.2 -13,-0.1 -1,-0.1 -0.304 27.4-134.1 -63.8 144.3 10.8 6.2 -8.8 263 511 A S > - 0 0 30 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.561 28.8-107.9 -83.5 165.2 9.3 8.8 -6.5 264 512 A A H > S+ 0 0 3 -2,-0.2 4,-1.7 1,-0.2 -134,-0.2 0.903 121.3 52.3 -58.8 -42.8 11.3 11.9 -5.7 265 513 A K H 4 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.925 112.5 44.0 -60.6 -46.5 11.8 10.6 -2.1 266 514 A E H >4 S+ 0 0 121 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.886 111.2 53.5 -66.7 -40.1 13.1 7.2 -3.4 267 515 A L H >< S+ 0 0 3 -4,-2.5 3,-1.7 1,-0.3 6,-0.3 0.803 95.4 66.7 -71.5 -27.2 15.4 8.7 -6.0 268 516 A L T 3< S+ 0 0 47 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 101.7 52.3 -61.7 -19.7 17.1 11.0 -3.5 269 517 A Q T < S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.477 83.6 120.8 -90.3 -6.8 18.5 7.7 -2.0 270 518 A H X - 0 0 20 -3,-1.7 3,-0.9 -4,-0.2 4,-0.4 -0.289 67.3-131.6 -67.3 142.7 19.8 6.4 -5.4 271 519 A Q G > S+ 0 0 135 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.707 100.7 72.5 -70.4 -20.2 23.5 5.7 -5.5 272 520 A F G > S+ 0 0 0 -27,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.894 93.5 56.9 -56.8 -38.7 24.0 7.7 -8.8 273 521 A L G X S+ 0 0 9 -3,-0.9 3,-1.5 -6,-0.3 -1,-0.2 0.777 93.4 69.2 -65.1 -23.2 23.5 10.8 -6.7 274 522 A K G < S+ 0 0 146 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.644 89.3 61.7 -73.7 -13.8 26.4 9.8 -4.5 275 523 A I G < S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.444 78.7 135.9 -86.2 -0.7 28.9 10.4 -7.3 276 524 A A < - 0 0 25 -3,-1.5 -159,-0.2 -157,-0.2 -160,-0.1 -0.182 49.4-139.6 -50.8 130.8 27.8 14.1 -7.3 277 525 A K - 0 0 86 -161,-1.7 -1,-0.1 1,-0.2 5,-0.1 -0.456 40.4 -78.5 -77.7 162.5 30.6 16.6 -7.5 278 526 A P > - 0 0 89 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.322 42.8-116.1 -56.7 149.2 30.4 19.8 -5.4 279 527 A L G > S+ 0 0 39 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.823 113.8 73.3 -62.2 -28.5 28.1 22.3 -7.0 280 528 A S G > S+ 0 0 74 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.759 80.9 73.9 -49.6 -29.2 31.1 24.6 -7.4 281 529 A S G < S+ 0 0 22 -3,-1.9 4,-0.4 1,-0.3 -1,-0.3 0.712 88.7 59.7 -61.6 -20.0 32.1 22.1 -10.2 282 530 A L G <> S+ 0 0 6 -3,-2.3 4,-2.3 -4,-0.2 3,-0.5 0.650 80.5 88.0 -81.9 -16.4 29.4 23.6 -12.4 283 531 A T H <> S+ 0 0 46 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.876 85.2 50.3 -58.1 -44.2 30.8 27.2 -12.3 284 532 A P H > S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.880 112.9 46.9 -62.0 -35.6 33.2 26.8 -15.3 285 533 A L H > S+ 0 0 25 -3,-0.5 4,-2.8 -4,-0.4 -2,-0.2 0.875 112.6 50.3 -67.9 -40.1 30.3 25.4 -17.5 286 534 A I H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.919 113.2 45.5 -62.6 -46.3 28.0 28.2 -16.3 287 535 A A H X S+ 0 0 45 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.941 114.5 48.6 -62.9 -48.0 30.7 30.8 -17.1 288 536 A A H X S+ 0 0 50 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 113.6 45.4 -56.9 -50.9 31.4 29.2 -20.5 289 537 A A H X S+ 0 0 2 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.820 111.5 54.4 -62.8 -33.4 27.7 29.0 -21.5 290 538 A K H < S+ 0 0 84 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.938 111.0 44.3 -65.3 -47.8 27.2 32.6 -20.3 291 539 A E H >< S+ 0 0 154 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.825 112.7 52.9 -64.4 -34.2 30.0 33.8 -22.5 292 540 A A H 3< S+ 0 0 58 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 109.5 47.4 -74.7 -28.3 28.7 31.7 -25.5 293 541 A T T 3< 0 0 56 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.163 360.0 360.0-100.2 16.1 25.2 33.2 -25.2 294 542 A K < 0 0 224 -3,-0.8 -4,-0.1 -5,-0.0 -3,-0.1 -0.606 360.0 360.0 113.2 360.0 26.5 36.8 -25.0