==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, TRANSFERASE 10-JAN-05 1YHV . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LEI,M.A.ROBINSON,S.C.HARRISON . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 68.3 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 . 39 13.3 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 . 2 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 . 18 6.1 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 . 91 31.1 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+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 1 1 0 1 0 1 1 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 . 3 2 1 0 0 2 1 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 95 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 132.2 -14.7 13.3 13.0 2 250 A D H > + 0 0 64 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.844 360.0 52.3 -49.2 -34.1 -11.9 10.9 14.0 3 251 A E H > S+ 0 0 169 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.912 109.8 45.0 -69.3 -45.7 -13.2 8.8 11.1 4 252 A E H > S+ 0 0 119 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.864 110.5 56.5 -66.5 -36.1 -13.0 11.7 8.6 5 253 A I H X S+ 0 0 16 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.874 106.8 48.6 -62.9 -39.1 -9.5 12.6 10.0 6 254 A L H X S+ 0 0 51 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.874 111.4 48.9 -69.7 -37.7 -8.3 9.1 9.2 7 255 A E H X S+ 0 0 114 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.892 111.8 50.2 -68.9 -38.1 -9.7 9.1 5.7 8 256 A K H X S+ 0 0 95 -4,-2.5 4,-1.4 1,-0.2 3,-0.2 0.947 113.8 44.5 -63.6 -47.5 -8.0 12.5 5.2 9 257 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.902 107.9 58.8 -63.5 -40.0 -4.7 11.2 6.5 10 258 A R H < S+ 0 0 154 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 106.1 49.2 -56.3 -37.6 -5.1 8.0 4.4 11 259 A S H < S+ 0 0 88 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.841 113.5 46.7 -72.2 -31.2 -5.3 10.2 1.2 12 260 A I H < S+ 0 0 21 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.901 98.6 79.0 -76.3 -46.5 -2.1 12.1 2.2 13 261 A V S < S- 0 0 21 -4,-2.5 73,-0.2 1,-0.1 2,-0.2 -0.121 81.5-111.5 -67.6 161.5 0.2 9.3 3.2 14 262 A S B -a 86 0A 43 71,-3.0 73,-0.5 1,-0.1 -1,-0.1 -0.523 50.5 -93.1 -82.5 159.4 2.2 6.9 1.1 15 263 A V S S+ 0 0 141 -2,-0.2 -1,-0.1 71,-0.1 2,-0.1 -0.373 75.0 3.7 -82.6 155.3 1.0 3.3 1.2 16 264 A G S S- 0 0 51 71,-0.2 71,-0.3 -2,-0.1 -2,-0.1 -0.323 95.7 -31.9 84.3-160.5 2.1 0.5 3.4 17 265 A D > - 0 0 55 1,-0.1 3,-0.6 -2,-0.1 4,-0.4 -0.810 36.5-149.0-102.9 142.2 4.5 0.1 6.3 18 266 A P T 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.627 81.3 92.5 -83.7 -12.2 7.7 2.2 6.6 19 267 A K T 34 S+ 0 0 118 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.559 88.9 47.9 -57.7 -9.1 9.5 -0.7 8.4 20 268 A K T <4 S+ 0 0 177 -3,-0.6 -1,-0.2 1,-0.0 22,-0.1 0.807 109.8 49.2 -97.1 -42.7 10.8 -1.8 5.0 21 269 A K T 4 S+ 0 0 73 -4,-0.4 21,-3.1 -3,-0.3 22,-0.4 0.691 114.3 44.8 -72.2 -21.8 12.0 1.6 3.7 22 270 A Y B < +F 41 0B 3 -4,-1.8 19,-0.2 19,-0.3 3,-0.1 -0.917 60.6 174.2-125.2 151.4 14.0 2.5 6.8 23 271 A T + 0 0 88 17,-2.0 2,-3.3 -2,-0.3 -1,-0.1 0.658 56.8 50.4-118.0 -86.2 16.4 0.4 8.9 24 272 A R - 0 0 56 16,-0.1 -1,-0.1 2,-0.0 14,-0.1 -0.236 69.5-174.5 -63.0 62.6 18.7 1.3 11.9 25 273 A F - 0 0 41 -2,-3.3 2,-0.3 -3,-0.1 14,-0.2 -0.106 7.9-175.0 -56.5 159.3 16.0 3.0 14.0 26 274 A E E -B 38 0A 128 12,-0.9 12,-2.9 0, 0.0 2,-0.3 -0.837 22.8-127.3-160.9 117.1 17.2 4.7 17.2 27 275 A K E +B 37 0A 124 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.537 38.0 156.2 -74.3 126.8 14.8 6.3 19.7 28 276 A I + 0 0 103 8,-4.0 -1,-0.1 1,-0.4 9,-0.1 0.571 57.9 23.3-109.8 -94.9 15.5 9.9 20.6 29 277 A G + 0 0 31 1,-0.1 7,-2.1 6,-0.0 -1,-0.4 -0.232 48.4 177.0 -72.5 163.1 12.6 11.9 21.9 30 278 A Q + 0 0 53 5,-0.3 5,-0.2 -3,-0.1 -1,-0.1 0.011 31.8 134.9-157.0 33.5 9.5 10.5 23.4 31 279 A G S S- 0 0 63 3,-0.3 3,-0.1 1,-0.1 0, 0.0 0.542 77.7 -76.6 -64.2-144.1 7.4 13.5 24.5 32 280 A A S S+ 0 0 94 1,-0.2 3,-0.1 21,-0.0 -1,-0.1 0.418 124.6 74.1 -99.8 -4.1 3.7 14.0 23.9 33 281 A S S S- 0 0 52 1,-0.4 2,-0.2 25,-0.1 -1,-0.2 0.560 117.2 -99.4 -81.9 -10.2 4.4 14.8 20.3 34 282 A G - 0 0 12 -3,-0.1 2,-0.5 19,-0.1 -1,-0.4 -0.615 53.9 -46.3 116.5-178.8 5.0 11.1 19.8 35 283 A T E - C 0 52A 33 17,-2.2 17,-3.2 -2,-0.2 2,-0.5 -0.776 52.3-152.3 -92.3 130.5 8.2 9.1 19.7 36 284 A V E - C 0 51A 48 -7,-2.1 -8,-4.0 -2,-0.5 2,-0.3 -0.873 15.2-178.5-106.9 132.5 11.0 10.3 17.6 37 285 A Y E -BC 27 50A 47 13,-3.0 13,-3.6 -2,-0.5 2,-0.4 -0.921 24.3-135.3-126.0 150.9 13.6 8.0 16.0 38 286 A T E +BC 26 49A 10 -12,-2.9 -12,-0.9 -2,-0.3 2,-0.3 -0.841 40.8 158.4 -97.3 143.4 16.6 8.5 13.8 39 287 A A E - C 0 48A 3 9,-2.4 9,-3.6 -2,-0.4 2,-0.5 -0.947 38.0-107.8-157.0 174.3 16.8 6.0 11.0 40 288 A M E - C 0 47A 93 -2,-0.3 -17,-2.0 7,-0.3 2,-0.5 -0.957 20.8-133.2-119.7 125.4 18.2 5.3 7.6 41 289 A D B > -F 22 0B 10 5,-2.9 4,-2.1 -2,-0.5 3,-0.4 -0.610 22.0-150.0 -67.3 116.5 16.3 5.4 4.3 42 290 A V T 4 S+ 0 0 88 -21,-3.1 -1,-0.2 -2,-0.5 -20,-0.1 0.712 87.6 47.1 -72.5 -16.3 17.5 2.2 2.8 43 291 A A T 4 S+ 0 0 89 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.675 125.3 24.6 -97.0 -22.4 17.2 3.3 -0.9 44 292 A T T 4 S- 0 0 95 -3,-0.4 -2,-0.2 2,-0.2 3,-0.1 0.648 94.4-128.9-112.9 -25.7 18.9 6.7 -0.7 45 293 A G < + 0 0 41 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.0 0.074 56.5 148.8 98.2 -22.6 21.1 6.2 2.3 46 294 A Q - 0 0 70 -6,-0.1 -5,-2.9 1,-0.1 2,-0.4 -0.112 48.0-129.8 -48.4 130.6 19.8 9.4 3.8 47 295 A E E -C 40 0A 94 -7,-0.2 51,-1.2 51,-0.2 2,-0.3 -0.722 36.6-173.0 -83.8 134.1 19.6 9.5 7.6 48 296 A V E -CD 39 97A 0 -9,-3.6 -9,-2.4 -2,-0.4 2,-0.5 -0.785 27.8-127.3-127.6 169.7 16.1 10.7 8.7 49 297 A A E -CD 38 96A 21 47,-2.7 47,-2.8 -2,-0.3 2,-0.5 -0.982 27.0-165.4-117.4 121.8 14.1 11.6 11.7 50 298 A I E -CD 37 95A 0 -13,-3.6 -13,-3.0 -2,-0.5 2,-0.6 -0.946 7.3-160.6-117.2 124.3 10.8 9.8 12.1 51 299 A R E -CD 36 94A 52 43,-2.5 43,-2.2 -2,-0.5 2,-0.5 -0.890 9.0-163.1-100.3 121.7 8.0 10.8 14.5 52 300 A Q E -CD 35 93A 21 -17,-3.2 -17,-2.2 -2,-0.6 2,-0.4 -0.922 10.2-178.2-108.1 128.9 5.6 8.1 15.4 53 301 A M E - D 0 92A 2 39,-3.0 39,-2.9 -2,-0.5 2,-0.8 -0.982 27.7-138.3-128.5 134.8 2.2 9.0 16.9 54 302 A N E > - D 0 91A 58 -2,-0.4 3,-1.2 37,-0.2 37,-0.2 -0.813 22.7-154.1 -86.0 115.8 -0.6 7.0 18.1 55 303 A L G > S+ 0 0 2 35,-4.3 3,-4.5 -2,-0.8 -1,-0.2 0.949 85.5 60.8 -57.6 -59.6 -3.6 9.0 16.7 56 304 A Q G 3 S+ 0 0 146 1,-0.3 -1,-0.3 34,-0.1 35,-0.1 0.621 111.2 45.2 -48.8 -10.0 -6.3 8.0 19.1 57 305 A Q G < S+ 0 0 144 -3,-1.2 -1,-0.3 0, 0.0 -2,-0.2 0.222 91.2 103.1-118.4 17.3 -4.1 9.6 21.8 58 306 A Q < - 0 0 37 -3,-4.5 3,-0.5 1,-0.1 -25,-0.1 -0.886 59.9-152.5-105.2 120.4 -3.3 12.7 19.7 59 307 A P S S+ 0 0 92 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.937 81.3 22.8 -51.3 -69.6 -5.2 15.9 20.8 60 308 A K >> + 0 0 145 1,-0.1 3,-1.5 2,-0.0 4,-0.9 -0.708 63.1 170.1-110.7 72.6 -5.5 18.1 17.8 61 309 A K H 3> S+ 0 0 34 -2,-0.6 4,-2.0 -3,-0.5 5,-0.2 0.736 74.7 66.5 -58.6 -23.5 -5.1 15.9 14.7 62 310 A E H 3> S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.849 96.5 55.1 -68.5 -30.1 -6.2 18.7 12.4 63 311 A L H <> S+ 0 0 73 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.851 106.8 51.1 -68.6 -33.7 -3.0 20.6 13.3 64 312 A I H X S+ 0 0 8 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.920 110.8 47.2 -68.8 -43.6 -1.0 17.5 12.2 65 313 A I H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.935 113.5 49.2 -62.3 -45.4 -2.8 17.4 8.9 66 314 A N H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.916 109.1 53.2 -59.2 -44.6 -2.3 21.1 8.5 67 315 A E H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.920 111.2 45.0 -58.0 -46.3 1.4 20.7 9.3 68 316 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.936 114.1 48.2 -65.1 -46.0 1.9 18.0 6.7 69 317 A L H X S+ 0 0 45 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.876 113.5 47.0 -63.9 -38.4 -0.0 19.9 4.0 70 318 A V H X S+ 0 0 3 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.936 114.7 46.0 -70.0 -44.3 1.8 23.1 4.6 71 319 A M H >< S+ 0 0 6 -4,-2.4 3,-0.9 -5,-0.3 11,-0.2 0.913 110.0 54.9 -64.0 -41.5 5.2 21.5 4.6 72 320 A R H 3< S+ 0 0 106 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.875 115.6 37.3 -59.3 -39.4 4.5 19.5 1.5 73 321 A E H 3< S+ 0 0 127 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.338 113.9 55.5 -98.2 5.9 3.6 22.5 -0.5 74 322 A N << + 0 0 16 -3,-0.9 -1,-0.2 -4,-0.6 2,-0.1 -0.303 67.5 164.3-133.3 51.8 6.2 25.0 0.9 75 323 A K + 0 0 97 -3,-0.4 5,-0.1 6,-0.0 6,-0.1 -0.451 9.1 160.5 -70.5 141.7 9.5 23.3 0.3 76 324 A N > - 0 0 40 3,-0.3 3,-2.3 -2,-0.1 -2,-0.1 -0.968 51.5-113.5-161.9 144.9 12.6 25.6 0.7 77 325 A P T 3 S+ 0 0 101 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.765 117.3 51.5 -52.5 -27.9 16.3 25.2 1.3 78 326 A N T 3 S+ 0 0 12 78,-0.1 79,-2.8 2,-0.1 2,-0.4 0.150 97.7 77.1 -99.8 20.1 15.9 26.9 4.6 79 327 A I B < S-g 157 0C 11 -3,-2.3 -3,-0.3 77,-0.3 79,-0.2 -0.995 94.1-103.8-128.0 133.7 13.1 24.7 5.9 80 328 A V - 0 0 4 77,-2.6 2,-0.3 -2,-0.4 -2,-0.1 -0.360 50.1-107.9 -57.6 126.3 13.7 21.2 7.2 81 329 A N - 0 0 51 -4,-0.1 16,-2.5 -2,-0.1 2,-0.5 -0.439 21.0-145.0 -67.1 124.2 12.6 18.9 4.4 82 330 A Y E + E 0 96A 14 -2,-0.3 14,-0.2 -11,-0.2 3,-0.1 -0.767 23.2 178.4 -82.3 125.5 9.4 16.9 4.9 83 331 A L E - 0 0 47 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.858 44.9 -42.2-103.4 -41.5 10.0 13.6 3.2 84 332 A D E - E 0 95A 21 11,-1.5 11,-3.0 2,-0.0 -1,-0.3 -0.982 42.1-139.0-174.8 174.4 7.0 11.3 3.5 85 333 A S E - E 0 94A 2 -2,-0.3 -71,-3.0 9,-0.2 2,-0.3 -0.985 10.6-168.2-152.3 154.5 4.3 9.9 5.8 86 334 A Y E -aE 14 93A 16 7,-2.0 7,-2.9 -2,-0.3 2,-0.5 -0.978 10.4-150.0-142.7 150.6 2.7 6.6 6.5 87 335 A L E + E 0 92A 31 -73,-0.5 2,-0.5 -71,-0.3 5,-0.2 -0.987 13.7 176.3-128.9 122.8 -0.3 5.4 8.4 88 336 A V E > - E 0 91A 52 3,-3.6 3,-1.5 -2,-0.5 2,-0.4 -0.865 69.7 -53.5-124.9 94.2 -0.4 2.0 10.0 89 337 A G T 3 S- 0 0 58 -2,-0.5 -35,-0.0 1,-0.3 0, 0.0 -0.619 120.3 -22.9 75.8-128.6 -3.6 1.6 11.9 90 338 A D T 3 S+ 0 0 58 -2,-0.4 -35,-4.3 -3,-0.1 2,-0.7 0.241 118.9 106.5 -97.5 12.5 -3.9 4.6 14.3 91 339 A E E < -DE 54 88A 68 -3,-1.5 -3,-3.6 -37,-0.2 2,-0.4 -0.833 53.4-168.2 -97.6 115.3 -0.2 4.9 14.1 92 340 A L E -DE 53 87A 2 -39,-2.9 -39,-3.0 -2,-0.7 2,-0.5 -0.870 2.1-163.7-104.7 133.9 1.0 7.8 12.0 93 341 A W E -DE 52 86A 1 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.5 -0.968 2.3-167.5-118.6 129.7 4.6 8.2 10.9 94 342 A V E -DE 51 85A 0 -43,-2.2 -43,-2.5 -2,-0.5 2,-0.5 -0.976 8.9-155.5-120.4 121.7 6.1 11.5 9.7 95 343 A V E +DE 50 84A 0 -11,-3.0 -12,-2.9 -2,-0.5 -11,-1.5 -0.862 17.3 171.7-102.5 122.5 9.5 11.3 8.1 96 344 A M E -DE 49 82A 24 -47,-2.8 -47,-2.7 -2,-0.5 -14,-0.2 -0.810 41.0 -96.1-121.4 160.0 11.7 14.5 8.0 97 345 A E E -D 48 0A 26 -16,-2.5 2,-0.4 -2,-0.3 -49,-0.2 -0.432 43.9-126.4 -71.5 159.7 15.3 14.9 7.0 98 346 A Y - 0 0 79 -51,-1.2 2,-0.5 -59,-0.1 -51,-0.2 -0.919 15.0-157.3-112.8 133.8 17.6 14.8 9.9 99 347 A L > - 0 0 23 -2,-0.4 3,-0.7 1,-0.1 50,-0.2 -0.960 2.8-160.0-110.8 122.4 20.2 17.5 10.7 100 348 A A T 3 S+ 0 0 25 -2,-0.5 50,-0.2 1,-0.2 -1,-0.1 0.474 76.7 78.6 -81.5 -3.2 23.0 16.2 12.9 101 349 A G T 3 S- 0 0 5 48,-1.8 -1,-0.2 1,-0.3 49,-0.2 0.267 89.6-136.4 -91.7 14.3 24.1 19.6 14.2 102 350 A G < - 0 0 29 -3,-0.7 47,-2.9 47,-0.1 -1,-0.3 -0.347 39.4 -46.0 70.7-151.2 21.4 20.0 16.8 103 351 A S B > -H 148 0C 16 45,-0.3 4,-1.3 1,-0.1 3,-0.4 -0.733 43.8-109.1-118.7 167.8 19.5 23.2 17.3 104 352 A L H > S+ 0 0 1 43,-2.5 4,-2.8 40,-1.1 5,-0.3 0.841 116.0 65.6 -63.2 -31.6 20.4 26.9 17.6 105 353 A T H > S+ 0 0 24 39,-0.8 4,-2.1 42,-0.3 5,-0.2 0.913 98.4 51.8 -57.6 -43.2 19.5 26.7 21.3 106 354 A D H > S+ 0 0 51 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.923 112.1 47.4 -60.0 -42.5 22.4 24.3 21.9 107 355 A V H X S+ 0 0 4 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.924 112.9 45.6 -67.2 -44.0 24.7 26.8 20.2 108 356 A V H < S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 117.2 44.5 -73.3 -23.7 23.5 29.9 22.1 109 357 A T H < S+ 0 0 76 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.704 124.5 32.5 -90.6 -18.0 23.6 28.2 25.5 110 358 A E H < S+ 0 0 98 -4,-1.4 2,-0.2 -5,-0.2 -2,-0.2 0.611 119.0 32.4-112.8 -14.2 26.9 26.5 25.0 111 359 A T S < S- 0 0 32 -4,-2.2 2,-0.5 -5,-0.2 174,-0.0 -0.778 71.6-114.3-134.5 178.5 29.1 28.9 22.9 112 360 A C - 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0 0 80 1,-0.1 2,-1.0 2,-0.0 -2,-0.1 -0.382 61.7-132.4 -64.1 134.9 -5.0 33.1 18.2 176 424 A M + 0 0 111 1,-0.2 -1,-0.1 -2,-0.1 7,-0.0 -0.787 52.9 137.5 -91.1 100.0 -2.3 33.0 20.8 177 425 A V + 0 0 39 -2,-1.0 -1,-0.2 -37,-0.1 -14,-0.0 0.671 36.2 93.9-116.0 -26.3 -0.1 30.1 19.8 178 426 A G S S- 0 0 14 1,-0.1 -37,-0.2 -16,-0.1 5,-0.1 0.112 84.8 -84.2 -66.4 179.2 3.5 31.0 20.2 179 427 A T >> - 0 0 29 -39,-0.1 3,-2.1 -37,-0.1 4,-0.6 -0.773 43.1-126.0 -87.1 121.7 6.0 30.6 23.0 180 428 A P G >4 S+ 0 0 31 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.764 102.5 54.6 -31.8 -57.5 5.6 33.6 25.5 181 429 A Y G 34 S+ 0 0 31 1,-0.3 36,-0.1 36,-0.1 -3,-0.0 0.720 114.3 41.6 -60.4 -21.9 9.1 34.9 25.6 182 430 A W G <4 S+ 0 0 16 -3,-2.1 -1,-0.3 32,-0.1 22,-0.2 0.408 88.6 121.4-105.6 0.9 9.3 35.3 21.8 183 431 A M << - 0 0 17 -3,-1.4 15,-0.1 -4,-0.6 -42,-0.0 -0.419 63.9-120.2 -71.9 138.7 5.8 36.7 21.3 184 432 A A >> - 0 0 2 -2,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.438 24.9-117.7 -72.2 146.9 5.2 40.1 19.7 185 433 A P H >> S+ 0 0 3 0, 0.0 4,-3.9 0, 0.0 3,-1.4 0.858 110.9 61.4 -55.1 -38.6 3.4 42.7 21.8 186 434 A E H 3> S+ 0 0 16 1,-0.3 4,-1.1 2,-0.2 11,-0.0 0.722 88.4 69.6 -65.0 -20.3 0.5 42.9 19.4 187 435 A V H <4 S+ 0 0 11 -3,-1.5 -1,-0.3 2,-0.1 5,-0.1 0.878 121.0 19.1 -61.6 -32.5 -0.4 39.2 19.9 188 436 A V H << S+ 0 0 54 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.1 0.849 118.0 59.1-101.7 -54.7 -1.4 40.4 23.4 189 437 A T H < S- 0 0 87 -4,-3.9 2,-0.2 -5,-0.1 -3,-0.2 0.804 124.7 -10.8 -55.4 -21.8 -1.9 44.1 23.4 190 438 A R S < S- 0 0 60 -4,-1.1 2,-0.2 -5,-0.4 3,-0.1 -0.684 70.3 -97.9-146.8-155.9 -4.6 43.4 20.7 191 439 A K S S+ 0 0 60 -2,-0.2 -17,-0.2 1,-0.2 -18,-0.1 -0.448 85.1 54.4-117.1-172.4 -6.2 41.0 18.3 192 440 A A + 0 0 58 -2,-0.2 2,-0.3 -20,-0.1 -18,-0.2 0.873 60.9 169.5 41.3 92.1 -5.4 40.9 14.6 193 441 A Y B -K 173 0E 9 -20,-2.3 -20,-2.8 -3,-0.1 -1,-0.1 -0.875 13.0-157.8-122.7 160.9 -1.6 40.4 14.1 194 442 A G > - 0 0 8 -2,-0.3 3,-1.6 -22,-0.2 4,-0.2 -0.386 44.7 -56.9-123.8-160.0 0.1 39.6 10.8 195 443 A P T >> S+ 0 0 37 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.731 115.0 77.4 -54.8 -28.9 3.3 38.1 9.4 196 444 A K H 3> S+ 0 0 42 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.542 72.6 78.8 -66.0 -3.8 5.5 40.6 11.3 197 445 A V H <> S+ 0 0 7 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.830 92.2 54.1 -71.0 -27.2 5.1 38.7 14.5 198 446 A D H <> S+ 0 0 0 -3,-2.0 4,-1.8 -4,-0.2 -1,-0.2 0.822 104.7 53.6 -72.4 -30.6 7.7 36.3 13.1 199 447 A I H X S+ 0 0 0 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.904 107.9 50.1 -69.3 -41.1 10.1 39.3 12.5 200 448 A W H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.952 110.3 50.0 -60.6 -48.1 9.7 40.2 16.2 201 449 A S H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.865 106.4 55.3 -59.0 -37.2 10.5 36.7 17.2 202 450 A L H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.898 105.4 53.7 -62.3 -39.2 13.5 36.7 15.0 203 451 A G H X S+ 0 0 0 -4,-1.9 4,-1.6 50,-0.2 -1,-0.2 0.884 107.9 48.9 -63.1 -36.2 14.7 39.8 16.9 204 452 A I H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.875 108.3 54.6 -70.5 -33.7 14.3 38.0 20.2 205 453 A M H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.863 104.8 53.8 -66.9 -33.1 16.3 35.1 18.7 206 454 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.888 105.8 52.8 -67.4 -36.5 19.0 37.6 17.9 207 455 A I H X>S+ 0 0 2 -4,-1.6 4,-3.7 1,-0.2 5,-0.5 0.902 106.0 54.8 -64.7 -36.5 19.0 38.6 21.5 208 456 A E H X5S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.913 106.8 50.1 -59.9 -43.6 19.4 34.9 22.4 209 457 A M H <5S+ 0 0 10 -4,-1.9 -96,-0.5 2,-0.2 -1,-0.2 0.788 118.6 39.2 -67.4 -25.6 22.5 34.8 20.1 210 458 A I H <5S+ 0 0 51 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.915 133.1 18.6 -87.0 -50.6 23.9 37.8 21.9 211 459 A E H <5S- 0 0 56 -4,-3.7 -3,-0.2 2,-0.2 -2,-0.2 0.582 98.9-112.8-102.4 -13.0 22.9 37.2 25.5 212 460 A G S < - 0 0 5 0, 0.0 3,-1.2 0, 0.0 -32,-0.1 -0.360 61.1 -79.5 -76.0 162.5 15.4 35.9 25.5 215 463 A P T 3 S+ 0 0 22 0, 0.0 13,-0.1 0, 0.0 21,-0.0 -0.314 114.2 14.9 -63.0 149.7 14.4 38.7 27.8 216 464 A Y T > S+ 0 0 42 1,-0.1 3,-2.3 -3,-0.1 8,-0.1 0.629 74.1 140.4 64.3 16.4 12.5 37.8 30.9 217 465 A L T < S+ 0 0 66 -3,-1.2 -1,-0.1 1,-0.3 7,-0.1 0.823 70.3 62.7 -57.1 -29.4 13.3 34.0 30.7 218 466 A N T 3 S+ 0 0 111 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.564 94.7 81.5 -69.6 -14.6 13.7 34.2 34.4 219 467 A E S < S- 0 0 60 -3,-2.3 5,-0.0 1,-0.1 0, 0.0 -0.594 94.6 -91.8-100.0 158.8 10.0 35.2 34.8 220 468 A N >> - 0 0 75 -2,-0.2 4,-2.3 1,-0.1 3,-0.8 -0.406 41.7-119.6 -60.6 139.8 6.8 33.2 34.9 221 469 A P H 3> S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 114.7 57.5 -51.2 -40.5 5.5 33.0 31.2 222 470 A L H 3> S+ 0 0 136 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.875 109.6 42.9 -60.4 -38.6 2.4 34.8 32.4 223 471 A R H <> S+ 0 0 140 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.838 107.2 61.5 -77.3 -32.2 4.4 37.7 33.7 224 472 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.931 102.2 51.5 -58.8 -46.8 6.7 37.8 30.7 225 473 A L H X S+ 0 0 27 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 109.1 49.7 -58.2 -41.9 3.7 38.6 28.4 226 474 A Y H X S+ 0 0 153 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.922 114.1 46.4 -62.8 -43.2 2.6 41.4 30.6 227 475 A L H X>S+ 0 0 33 -4,-2.3 4,-3.1 2,-0.2 5,-0.6 0.923 110.5 51.4 -65.8 -44.4 6.1 42.8 30.5 228 476 A I H X5S+ 0 0 10 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.949 114.6 44.7 -57.2 -47.1 6.5 42.3 26.8 229 477 A A H <5S+ 0 0 24 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.821 122.4 36.7 -67.6 -31.6 3.2 44.2 26.3 230 478 A T H <5S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.635 122.8 39.1 -98.1 -16.2 4.1 47.0 28.8 231 479 A N H <5S- 0 0 95 -4,-3.1 2,-0.2 1,-0.2 -3,-0.2 0.713 85.7-172.3-101.7 -27.8 7.9 47.4 28.2 232 480 A G << + 0 0 3 -4,-1.8 -1,-0.2 -5,-0.6 -2,-0.1 -0.499 57.3 34.1 75.0-138.2 7.8 47.1 24.5 233 481 A T S S- 0 0 68 -2,-0.2 22,-0.1 1,-0.1 18,-0.0 -0.315 92.7-117.0 -55.4 124.7 11.2 46.9 22.7 234 482 A P - 0 0 18 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.249 19.9-125.3 -65.1 150.1 13.6 45.0 25.0 235 483 A E - 0 0 170 2,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.843 20.8-129.1-100.8 132.0 16.8 46.7 26.4 236 484 A L - 0 0 30 -2,-0.4 -29,-0.0 1,-0.1 -1,-0.0 -0.478 8.4-135.5 -76.6 151.7 20.2 45.0 25.8 237 485 A Q S S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.910 100.1 14.0 -74.0 -40.3 22.5 44.4 28.8 238 486 A N > + 0 0 76 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.509 69.7 160.6-133.6 67.0 25.6 45.7 26.9 239 487 A P G > S+ 0 0 39 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.803 71.2 67.4 -58.4 -29.8 24.5 47.5 23.7 240 488 A E G 3 S+ 0 0 126 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.721 90.2 65.2 -63.4 -21.8 27.9 49.4 23.4 241 489 A K G < S+ 0 0 159 -3,-1.8 -1,-0.3 2,-0.1 2,-0.3 0.634 91.5 81.8 -77.2 -11.1 29.5 46.1 22.7 242 490 A L S < S- 0 0 21 -3,-1.9 2,-0.0 -4,-0.3 0, 0.0 -0.655 86.4-107.4 -97.4 151.8 27.6 45.8 19.4 243 491 A S > - 0 0 40 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.321 31.4-114.9 -68.7 156.3 28.3 47.3 16.1 244 492 A A H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.853 115.5 52.5 -62.3 -34.8 26.1 50.2 15.0 245 493 A I H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.843 108.6 49.4 -73.9 -31.4 24.7 48.2 12.1 246 494 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.904 110.7 50.9 -72.3 -40.4 23.8 45.2 14.3 247 495 A R H X S+ 0 0 90 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.901 110.2 50.1 -63.4 -36.8 22.0 47.6 16.7 248 496 A D H X S+ 0 0 72 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.906 108.9 51.7 -66.3 -41.3 20.1 49.1 13.8 249 497 A F H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.923 111.2 47.1 -60.6 -44.4 19.1 45.6 12.6 250 498 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.904 108.4 55.5 -64.2 -41.9 17.8 44.8 16.0 251 499 A N H < S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.1 49.5 -59.8 -35.9 15.9 48.1 16.2 252 500 A R H < S+ 0 0 61 -4,-1.8 10,-2.3 1,-0.2 3,-0.5 0.820 113.3 45.3 -72.9 -32.4 14.1 47.2 12.9 253 501 A C H < S+ 0 0 0 -4,-1.5 -50,-0.2 1,-0.2 -2,-0.2 0.825 117.7 43.1 -79.5 -33.9 13.1 43.8 14.1 254 502 A L S < S+ 0 0 9 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.102 76.8 137.0-103.5 25.6 11.9 44.9 17.5 255 503 A D - 0 0 49 -3,-0.5 6,-0.1 1,-0.1 -3,-0.0 -0.484 48.6-143.7 -74.0 141.1 10.0 48.1 16.7 256 504 A M S S+ 0 0 77 -2,-0.2 2,-0.8 4,-0.1 -1,-0.1 0.865 83.4 78.1 -68.8 -43.5 6.7 48.3 18.6 257 505 A D S >> S- 0 0 92 1,-0.2 4,-2.1 2,-0.1 3,-0.6 -0.636 73.6-152.6 -74.2 111.0 4.8 50.0 15.8 258 506 A V T 34 S+ 0 0 52 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.845 95.3 53.5 -53.9 -38.6 4.0 47.1 13.4 259 507 A E T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.876 111.9 46.3 -65.1 -35.2 3.9 49.4 10.4 260 508 A K T <4 S+ 0 0 124 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.787 92.5 97.5 -76.1 -31.9 7.4 50.6 11.3 261 509 A R S < S- 0 0 1 -4,-2.1 -8,-0.2 -6,-0.1 -9,-0.1 -0.262 85.4-101.8 -60.6 145.0 8.8 47.2 12.0 262 510 A G - 0 0 0 -10,-2.3 2,-0.2 -63,-0.1 -1,-0.1 -0.329 28.0-135.1 -69.9 149.9 10.7 45.7 9.1 263 511 A S > - 0 0 31 1,-0.1 4,-2.6 -64,-0.1 5,-0.2 -0.532 28.5-108.1 -93.2 169.2 9.2 43.1 6.8 264 512 A A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -134,-0.2 0.915 121.8 52.9 -63.9 -43.3 11.2 40.0 5.8 265 513 A K H 4 S+ 0 0 147 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.895 112.8 44.9 -58.4 -41.8 11.6 41.3 2.3 266 514 A E H >4 S+ 0 0 109 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.921 111.9 50.5 -69.8 -44.6 12.9 44.6 3.7 267 515 A L H >< S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.3 6,-0.2 0.764 95.5 69.2 -69.3 -24.2 15.3 43.1 6.2 268 516 A L T 3< S+ 0 0 32 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.755 100.5 52.1 -64.4 -20.9 16.9 40.7 3.6 269 517 A Q T < S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.465 83.4 123.6 -90.6 -5.0 18.4 43.9 2.2 270 518 A H X> - 0 0 25 -3,-1.7 3,-1.1 -4,-0.2 4,-0.5 -0.297 65.6-132.0 -63.4 139.9 19.8 45.1 5.5 271 519 A Q G >4 S+ 0 0 135 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.716 101.0 71.5 -65.2 -21.6 23.5 45.8 5.6 272 520 A F G >4 S+ 0 0 0 -27,-0.3 3,-1.5 1,-0.2 -1,-0.3 0.892 93.9 56.3 -61.2 -37.0 24.0 43.9 8.8 273 521 A L G X4 S+ 0 0 9 -3,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.785 93.8 69.0 -66.9 -21.2 23.4 40.7 6.8 274 522 A K G << S+ 0 0 142 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.625 89.5 61.5 -73.9 -10.8 26.2 41.7 4.5 275 523 A I G < S+ 0 0 76 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.402 77.7 134.0 -92.6 4.7 28.8 41.0 7.2 276 524 A A < - 0 0 24 -3,-1.5 -159,-0.2 -157,-0.2 -160,-0.1 -0.198 50.9-137.4 -55.6 137.9 27.8 37.4 7.4 277 525 A K - 0 0 87 -161,-1.9 -1,-0.1 1,-0.2 5,-0.1 -0.493 40.7 -76.0 -89.6 165.3 30.6 34.9 7.4 278 526 A P > - 0 0 91 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.310 45.6-114.9 -58.3 149.1 30.3 31.7 5.3 279 527 A L G > S+ 0 0 41 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.783 114.1 68.7 -60.4 -26.7 28.0 29.2 6.9 280 528 A S G > S+ 0 0 77 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.706 80.6 78.5 -66.9 -12.4 30.8 26.8 7.5 281 529 A S G < S+ 0 0 23 -3,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.692 88.1 59.7 -66.1 -14.2 32.0 29.3 10.0 282 530 A L G X> S+ 0 0 5 -3,-2.1 4,-2.4 -4,-0.2 3,-0.5 0.689 79.4 87.9 -86.7 -19.3 29.4 27.8 12.3 283 531 A T H <> S+ 0 0 45 -3,-1.3 4,-2.7 -4,-0.3 5,-0.3 0.880 85.1 51.5 -50.5 -47.0 30.8 24.3 12.2 284 532 A P H 3> S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.905 113.0 46.0 -60.9 -37.9 33.2 24.8 15.2 285 533 A L H <> S+ 0 0 22 -3,-0.5 4,-2.8 -4,-0.3 -2,-0.2 0.895 112.7 49.9 -67.6 -43.3 30.3 26.1 17.4 286 534 A I H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.910 113.1 46.3 -62.2 -43.3 28.0 23.4 16.3 287 535 A A H X S+ 0 0 35 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.907 113.2 49.4 -67.5 -40.3 30.6 20.7 17.1 288 536 A A H X S+ 0 0 49 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.924 113.6 45.6 -65.1 -43.1 31.4 22.3 20.5 289 537 A A H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 109.3 55.8 -70.4 -28.9 27.7 22.5 21.4 290 538 A K H >< S+ 0 0 99 -4,-1.9 3,-1.0 -5,-0.2 -1,-0.2 0.920 111.6 43.0 -69.4 -41.6 27.1 19.0 20.3 291 539 A E H 3< S+ 0 0 168 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.930 113.7 48.4 -68.4 -46.3 29.9 17.7 22.6 292 540 A A T 3< 0 0 55 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.065 360.0 360.0 -79.7 26.0 28.8 19.9 25.5 293 541 A T < 0 0 122 -3,-1.0 -1,-0.2 -5,-0.1 -183,-0.1 -0.258 360.0 360.0 43.9 360.0 25.5 18.3 24.4