==== 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 1YHW . 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) . 14033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 67.6 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.7 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 2 0 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,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 135.2 -14.6 13.4 13.1 2 250 A D H > + 0 0 63 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.846 360.0 51.9 -48.4 -37.8 -11.9 10.8 14.0 3 251 A E H > S+ 0 0 165 2,-0.2 4,-1.9 1,-0.2 3,-0.4 0.959 110.6 44.4 -65.7 -53.3 -13.2 8.8 11.1 4 252 A E H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.854 110.5 57.0 -60.2 -36.6 -12.9 11.6 8.5 5 253 A I H X S+ 0 0 17 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.856 106.3 49.6 -63.4 -36.6 -9.5 12.5 9.9 6 254 A L H X S+ 0 0 53 -4,-1.4 4,-2.9 -3,-0.4 -1,-0.2 0.888 110.6 48.5 -70.2 -39.6 -8.3 9.0 9.2 7 255 A E H X S+ 0 0 116 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.888 112.0 51.0 -68.2 -35.6 -9.6 9.0 5.7 8 256 A K H X S+ 0 0 100 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.948 112.9 43.9 -64.9 -49.5 -7.9 12.4 5.2 9 257 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.920 109.0 59.3 -62.5 -39.6 -4.6 11.2 6.5 10 258 A R H < S+ 0 0 152 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 105.5 48.5 -55.0 -38.7 -5.1 8.0 4.4 11 259 A S H < S+ 0 0 88 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.847 114.1 46.9 -71.7 -31.9 -5.3 10.1 1.2 12 260 A I H < S+ 0 0 20 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.904 98.6 80.1 -74.7 -45.5 -2.1 12.1 2.2 13 261 A V S < S- 0 0 23 -4,-2.6 73,-0.2 -5,-0.1 2,-0.2 -0.132 81.4-112.1 -68.1 158.6 0.2 9.2 3.2 14 262 A S B -a 86 0A 43 71,-2.7 73,-0.5 1,-0.1 -1,-0.1 -0.497 50.4 -92.5 -79.5 160.0 2.2 6.9 1.1 15 263 A V S S+ 0 0 138 -2,-0.2 -1,-0.1 71,-0.1 2,-0.1 -0.377 75.7 3.7 -80.8 154.5 1.0 3.3 1.2 16 264 A G S S- 0 0 52 71,-0.2 71,-0.3 -2,-0.1 -2,-0.0 -0.370 95.1 -32.2 86.4-158.6 2.0 0.5 3.4 17 265 A D > - 0 0 58 -2,-0.1 3,-0.6 1,-0.1 4,-0.4 -0.815 37.6-145.2-106.4 145.2 4.4 0.1 6.3 18 266 A P T 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.676 82.3 91.8 -82.3 -17.2 7.6 2.2 6.7 19 267 A K T 34 S+ 0 0 119 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.585 87.8 48.9 -55.1 -11.4 9.5 -0.7 8.4 20 268 A K T <4 S+ 0 0 176 -3,-0.6 -1,-0.2 1,-0.1 22,-0.1 0.850 108.7 50.1 -93.5 -44.0 10.7 -1.8 4.9 21 269 A K T 4 S+ 0 0 66 -4,-0.4 21,-3.2 -3,-0.3 22,-0.5 0.709 113.7 44.5 -68.7 -23.0 12.0 1.6 3.7 22 270 A Y B < +F 41 0B 4 -4,-1.6 19,-0.2 19,-0.2 3,-0.1 -0.897 59.3 175.0-125.4 155.7 14.0 2.4 6.8 23 271 A T + 0 0 87 17,-1.3 2,-3.2 -2,-0.3 -1,-0.1 0.595 58.0 51.4-119.5 -94.7 16.5 0.3 9.0 24 272 A R S S- 0 0 59 16,-0.1 -1,-0.1 2,-0.0 14,-0.1 -0.206 70.0-171.2 -56.5 64.9 18.7 1.2 11.9 25 273 A F - 0 0 46 -2,-3.2 2,-0.3 14,-0.1 14,-0.2 -0.274 7.0-175.7 -61.1 144.4 16.0 2.9 14.0 26 274 A E E -B 38 0A 124 12,-1.8 12,-2.7 0, 0.0 2,-0.5 -0.965 22.4-128.7-144.5 122.9 17.1 4.7 17.2 27 275 A K E +B 37 0A 129 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.611 37.1 157.0 -79.7 123.8 14.8 6.3 19.7 28 276 A I + 0 0 102 8,-3.7 -1,-0.1 -2,-0.5 9,-0.1 0.531 57.1 19.7-105.4-105.2 15.5 9.9 20.6 29 277 A G + 0 0 35 1,-0.1 7,-2.0 6,-0.1 -1,-0.3 -0.141 50.8 179.6 -65.0 162.5 12.7 12.0 21.9 30 278 A Q + 0 0 54 5,-0.2 5,-0.2 -3,-0.1 -1,-0.1 -0.056 31.4 132.4-158.0 41.4 9.5 10.6 23.4 31 279 A G S S- 0 0 60 3,-0.4 3,-0.2 1,-0.1 0, 0.0 0.410 78.4 -74.0 -75.2-146.2 7.3 13.5 24.5 32 280 A A S S+ 0 0 95 1,-0.2 3,-0.1 21,-0.0 -1,-0.1 0.537 124.5 73.2 -91.7 -10.3 3.6 14.0 23.9 33 281 A S S S- 0 0 57 1,-0.3 2,-0.2 25,-0.1 -1,-0.2 0.704 116.7 -97.9 -74.3 -19.5 4.4 14.9 20.3 34 282 A G - 0 0 10 -3,-0.2 2,-0.5 19,-0.1 -3,-0.4 -0.733 52.4 -48.3 127.4-177.9 5.1 11.2 19.8 35 283 A T E - C 0 52A 35 17,-2.5 17,-3.3 -2,-0.2 2,-0.5 -0.814 52.5-152.8 -94.7 127.5 8.1 9.0 19.7 36 284 A V E - C 0 51A 45 -7,-2.0 -8,-3.7 -2,-0.5 2,-0.3 -0.865 14.9-178.9-104.7 130.5 11.0 10.3 17.6 37 285 A Y E -BC 27 50A 50 13,-3.2 13,-4.1 -2,-0.5 2,-0.3 -0.924 23.5-137.4-123.7 148.4 13.5 8.0 16.0 38 286 A T E +BC 26 49A 7 -12,-2.7 -12,-1.8 -2,-0.3 2,-0.3 -0.762 39.9 157.0 -94.2 151.3 16.5 8.5 13.8 39 287 A A E - C 0 48A 3 9,-2.2 9,-3.7 -2,-0.3 2,-0.5 -0.969 37.9-104.9-163.1 175.1 16.7 6.0 10.9 40 288 A M E - C 0 47A 94 -2,-0.3 -17,-1.3 7,-0.3 2,-0.3 -0.954 21.9-129.5-121.0 125.7 18.2 5.3 7.5 41 289 A D B > -F 22 0B 10 5,-3.2 4,-1.5 -2,-0.5 -19,-0.2 -0.518 21.3-152.7 -61.0 124.2 16.4 5.4 4.1 42 290 A V T 4 S+ 0 0 86 -21,-3.2 -1,-0.2 -2,-0.3 -20,-0.1 0.819 88.8 47.7 -73.5 -26.2 17.4 2.1 2.8 43 291 A A T 4 S+ 0 0 88 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.671 126.7 21.6 -89.2 -23.0 17.1 3.3 -0.8 44 292 A T T 4 S- 0 0 95 2,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.612 94.1-128.4-117.3 -27.4 18.9 6.6 -0.7 45 293 A G < + 0 0 39 -4,-1.5 -3,-0.1 1,-0.3 -2,-0.0 0.159 57.0 147.6 96.1 -17.3 21.1 6.1 2.4 46 294 A Q - 0 0 70 -6,-0.1 -5,-3.2 1,-0.1 2,-0.4 -0.237 49.1-128.6 -55.9 130.8 19.8 9.3 3.9 47 295 A E E -C 40 0A 91 -7,-0.2 51,-1.2 51,-0.1 -7,-0.3 -0.673 36.6-174.1 -80.3 134.3 19.6 9.4 7.7 48 296 A V E -CD 39 97A 0 -9,-3.7 -9,-2.2 -2,-0.4 2,-0.5 -0.786 27.6-125.8-128.1 171.0 16.1 10.6 8.6 49 297 A A E -CD 38 96A 21 47,-2.6 47,-2.7 -2,-0.3 2,-0.5 -0.984 27.4-164.7-119.2 121.5 14.1 11.6 11.7 50 298 A I E -CD 37 95A 0 -13,-4.1 -13,-3.2 -2,-0.5 2,-0.5 -0.940 7.1-159.6-115.9 122.2 10.9 9.7 12.1 51 299 A R E -CD 36 94A 50 43,-2.6 43,-2.3 -2,-0.5 2,-0.5 -0.846 9.5-163.1 -96.7 126.4 8.1 10.8 14.5 52 300 A Q E -CD 35 93A 20 -17,-3.3 -17,-2.5 -2,-0.5 2,-0.4 -0.947 10.4-178.4-112.7 131.5 5.6 8.1 15.4 53 301 A M E - D 0 92A 3 39,-2.9 39,-2.6 -2,-0.5 2,-0.8 -0.964 28.6-136.8-129.7 143.7 2.3 9.0 16.9 54 302 A N E > - D 0 91A 56 -2,-0.4 3,-1.4 37,-0.2 37,-0.2 -0.898 22.7-154.6 -94.5 110.5 -0.6 7.0 18.1 55 303 A L G > S+ 0 0 2 35,-4.0 3,-4.3 -2,-0.8 -1,-0.2 0.940 86.8 59.7 -52.9 -59.8 -3.6 8.9 16.7 56 304 A Q G 3 S+ 0 0 146 1,-0.3 -1,-0.3 34,-0.2 35,-0.1 0.681 112.3 44.5 -47.7 -15.4 -6.3 8.0 19.1 57 305 A Q G < S+ 0 0 144 -3,-1.4 -1,-0.3 0, 0.0 -2,-0.2 0.155 91.9 96.3-115.0 19.3 -4.0 9.6 21.8 58 306 A Q < - 0 0 28 -3,-4.3 3,-0.4 1,-0.2 -25,-0.1 -0.948 62.2-155.4-107.2 122.9 -3.2 12.7 19.7 59 307 A P S S+ 0 0 114 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.986 78.6 29.3 -63.1 -69.0 -5.4 15.6 20.7 60 308 A K >> + 0 0 136 1,-0.2 3,-1.2 2,-0.1 4,-0.8 -0.634 62.6 166.6-100.5 78.0 -5.6 18.1 17.8 61 309 A K H 3> S+ 0 0 31 -2,-1.0 4,-2.0 -3,-0.4 -1,-0.2 0.699 71.2 69.0 -64.3 -19.6 -5.1 15.9 14.7 62 310 A E H 3> S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.876 96.7 54.1 -65.8 -34.6 -6.2 18.7 12.4 63 311 A L H <> S+ 0 0 59 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.853 106.5 51.3 -66.1 -35.2 -3.0 20.5 13.3 64 312 A I H X S+ 0 0 8 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.926 111.3 46.7 -67.8 -44.9 -1.0 17.5 12.2 65 313 A I H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.919 113.3 49.9 -61.8 -44.1 -2.7 17.3 8.9 66 314 A N H X S+ 0 0 43 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.922 108.9 52.7 -60.6 -43.8 -2.2 21.1 8.5 67 315 A E H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.912 111.7 45.0 -58.6 -44.7 1.4 20.7 9.3 68 316 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.932 114.0 48.1 -66.4 -47.6 1.9 18.0 6.7 69 317 A L H X S+ 0 0 43 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.885 113.9 47.1 -62.0 -39.5 0.0 19.8 4.0 70 318 A V H X S+ 0 0 1 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.938 114.6 45.8 -68.3 -45.2 1.9 23.1 4.6 71 319 A M H >< S+ 0 0 5 -4,-2.4 3,-1.0 -5,-0.3 11,-0.2 0.919 110.5 54.3 -62.9 -43.7 5.3 21.4 4.6 72 320 A R H 3< S+ 0 0 107 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.873 116.0 37.5 -57.6 -40.5 4.5 19.4 1.5 73 321 A E H 3< S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.322 114.5 54.3 -97.7 7.4 3.6 22.5 -0.5 74 322 A N << + 0 0 15 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 -0.278 67.9 164.2-135.3 50.6 6.2 24.9 0.9 75 323 A K + 0 0 92 -3,-0.4 5,-0.1 6,-0.0 6,-0.1 -0.418 9.8 161.9 -68.3 144.5 9.5 23.2 0.4 76 324 A N > - 0 0 39 3,-0.4 3,-2.2 -2,-0.1 52,-0.1 -0.961 51.4-113.8-164.0 144.9 12.5 25.5 0.7 77 325 A P T 3 S+ 0 0 98 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.778 117.7 50.5 -53.0 -28.7 16.3 25.1 1.3 78 326 A N T 3 S+ 0 0 11 78,-0.1 79,-2.8 2,-0.1 2,-0.4 0.125 98.0 77.9-100.3 21.6 15.9 26.9 4.6 79 327 A I B < S-g 157 0C 7 -3,-2.2 -3,-0.4 77,-0.3 79,-0.2 -0.998 94.3-104.1-127.6 131.4 13.1 24.6 5.9 80 328 A V - 0 0 4 77,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.335 50.0-107.2 -55.4 126.3 13.7 21.1 7.2 81 329 A N - 0 0 53 -4,-0.1 16,-2.5 15,-0.1 2,-0.5 -0.399 21.9-145.3 -66.2 125.0 12.6 18.8 4.4 82 330 A Y E + E 0 96A 14 -11,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.785 22.5 178.9 -83.8 127.1 9.4 16.9 4.9 83 331 A L E - 0 0 47 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.862 45.1 -45.1-103.0 -43.5 10.0 13.5 3.2 84 332 A D E - E 0 95A 23 11,-1.5 11,-3.1 2,-0.0 -1,-0.4 -0.979 41.8-137.3-175.4 174.7 6.9 11.3 3.5 85 333 A S E - E 0 94A 1 -2,-0.3 -71,-2.7 9,-0.2 2,-0.3 -0.980 10.8-166.4-151.0 156.0 4.3 9.9 5.9 86 334 A Y E -aE 14 93A 15 7,-2.0 7,-2.9 -2,-0.3 2,-0.5 -0.979 8.9-151.9-142.9 149.5 2.7 6.5 6.5 87 335 A L E + E 0 92A 28 -73,-0.5 2,-0.5 -71,-0.3 5,-0.2 -0.984 12.4 177.5-130.8 121.2 -0.3 5.4 8.4 88 336 A V E > S- E 0 91A 55 3,-3.5 3,-2.0 -2,-0.5 2,-0.4 -0.910 70.1 -53.7-121.4 99.0 -0.4 1.9 9.9 89 337 A G T 3 S- 0 0 59 -2,-0.5 -35,-0.0 1,-0.3 0, 0.0 -0.569 120.8 -22.6 70.3-125.7 -3.7 1.6 11.8 90 338 A D T 3 S+ 0 0 57 -2,-0.4 -35,-4.0 -3,-0.1 2,-0.7 0.250 118.4 105.7 -99.2 10.1 -4.0 4.5 14.2 91 339 A E E < -DE 54 88A 75 -3,-2.0 -3,-3.5 -37,-0.2 2,-0.4 -0.835 53.8-168.0 -96.7 117.2 -0.2 4.8 14.1 92 340 A L E -DE 53 87A 1 -39,-2.6 -39,-2.9 -2,-0.7 2,-0.4 -0.885 2.7-164.2-106.2 133.4 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 -0.973 1.9-167.5-119.0 128.8 4.6 8.2 11.0 94 342 A V E -DE 51 85A 1 -43,-2.3 -43,-2.6 -2,-0.4 2,-0.5 -0.976 9.7-154.9-118.6 124.0 6.1 11.5 9.7 95 343 A V E +DE 50 84A 0 -11,-3.1 -12,-3.2 -2,-0.5 -11,-1.5 -0.884 17.6 171.3-105.3 122.7 9.5 11.3 8.1 96 344 A M E -DE 49 82A 23 -47,-2.7 -47,-2.6 -2,-0.5 -14,-0.2 -0.804 41.3 -94.9-120.8 160.2 11.7 14.4 8.0 97 345 A E E -D 48 0A 25 -16,-2.5 2,-0.5 -2,-0.3 -49,-0.2 -0.451 43.9-124.9 -71.5 158.1 15.3 14.9 7.0 98 346 A Y - 0 0 79 -51,-1.2 2,-0.6 -59,-0.1 -51,-0.1 -0.902 15.7-157.6-108.0 131.4 17.7 14.7 9.9 99 347 A L > - 0 0 23 -2,-0.5 3,-0.7 1,-0.1 50,-0.2 -0.958 2.8-159.6-109.6 121.3 20.1 17.5 10.7 100 348 A A T 3 S+ 0 0 24 -2,-0.6 50,-0.2 1,-0.2 -1,-0.1 0.445 76.9 77.2 -80.4 -2.4 23.0 16.2 12.8 101 349 A G T 3 S- 0 0 4 48,-1.8 -1,-0.2 1,-0.3 49,-0.2 0.258 90.0-136.4 -93.9 14.0 24.1 19.6 14.2 102 350 A G < - 0 0 29 -3,-0.7 47,-2.7 47,-0.1 -1,-0.3 -0.378 40.6 -43.9 71.8-148.6 21.3 19.9 16.8 103 351 A S B > -H 148 0C 16 45,-0.3 4,-1.2 -2,-0.1 3,-0.3 -0.721 44.5-110.4-117.6 166.9 19.4 23.2 17.3 104 352 A L H > S+ 0 0 1 43,-2.4 4,-2.8 40,-1.1 5,-0.3 0.821 115.8 66.2 -65.7 -30.1 20.3 26.8 17.6 105 353 A T H > S+ 0 0 26 39,-0.8 4,-1.8 42,-0.3 5,-0.2 0.936 98.3 51.3 -57.8 -45.3 19.4 26.6 21.3 106 354 A D H > S+ 0 0 50 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.910 112.0 48.1 -57.4 -42.5 22.4 24.3 21.9 107 355 A V H X S+ 0 0 3 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.928 112.7 45.3 -66.3 -45.7 24.7 26.8 20.2 108 356 A V H < S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 117.2 44.8 -74.5 -18.9 23.5 29.9 22.0 109 357 A T H < S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.689 124.3 31.8 -94.9 -19.0 23.6 28.2 25.4 110 358 A E H < S+ 0 0 103 -4,-1.4 2,-0.2 -5,-0.2 -2,-0.2 0.551 120.0 33.8-113.7 -10.3 26.9 26.4 25.0 111 359 A T S < S- 0 0 31 -4,-2.0 2,-0.5 -5,-0.2 174,-0.0 -0.807 71.8-115.8-136.9 177.6 29.0 28.8 22.8 112 360 A C - 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0 0 78 1,-0.1 2,-1.2 2,-0.0 3,-0.2 -0.276 60.6-137.4 -56.0 121.5 -5.0 32.8 18.2 176 424 A M + 0 0 97 1,-0.2 -1,-0.1 -2,-0.1 7,-0.0 -0.682 52.3 135.5 -82.7 97.1 -2.3 32.9 20.8 177 425 A V + 0 0 33 -2,-1.2 -1,-0.2 -37,-0.1 -14,-0.0 0.647 35.7 94.3-117.7 -21.3 -0.1 29.9 19.9 178 426 A G S S- 0 0 13 -3,-0.2 -37,-0.2 1,-0.1 5,-0.1 -0.141 86.4 -82.2 -73.3 169.3 3.5 30.9 20.0 179 427 A T >> - 0 0 28 1,-0.1 3,-2.0 -37,-0.1 4,-0.6 -0.583 42.8-125.2 -74.6 123.5 6.0 30.6 22.9 180 428 A P G >4 S+ 0 0 36 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.789 103.1 52.9 -32.5 -59.8 5.5 33.4 25.4 181 429 A Y G 34 S+ 0 0 32 1,-0.3 36,-0.1 36,-0.1 -2,-0.0 0.724 114.4 42.4 -59.4 -23.1 9.1 34.8 25.6 182 430 A W G <4 S+ 0 0 16 -3,-2.0 -1,-0.3 32,-0.1 2,-0.2 0.380 88.2 121.4-104.6 3.7 9.3 35.2 21.8 183 431 A M << - 0 0 17 -3,-1.6 15,-0.1 -4,-0.6 -42,-0.0 -0.454 63.5-120.0 -74.8 138.8 5.8 36.6 21.3 184 432 A A >> - 0 0 1 -2,-0.2 3,-1.7 1,-0.1 4,-0.9 -0.448 25.1-116.0 -73.1 144.8 5.2 40.0 19.6 185 433 A P H >> S+ 0 0 4 0, 0.0 4,-3.5 0, 0.0 3,-0.6 0.854 112.6 60.0 -49.2 -43.1 3.4 42.6 21.8 186 434 A E H 34 S+ 0 0 18 1,-0.2 11,-0.0 2,-0.2 -3,-0.0 0.743 94.8 63.7 -63.4 -21.9 0.5 42.8 19.4 187 435 A V H <4 S+ 0 0 15 -3,-1.7 -1,-0.2 1,-0.2 5,-0.1 0.913 117.4 27.3 -66.8 -42.1 -0.3 39.1 19.9 188 436 A V H << S+ 0 0 44 -4,-0.9 2,-0.4 -3,-0.6 -2,-0.2 0.852 124.0 52.6 -87.3 -40.4 -1.1 39.7 23.6 189 437 A T S < S- 0 0 59 -4,-3.5 -1,-0.1 -5,-0.2 -5,-0.0 -0.794 118.0 -6.3 -96.8 141.5 -2.2 43.3 23.3 190 438 A R S S- 0 0 81 -2,-0.4 2,-0.2 -3,-0.0 3,-0.1 0.037 84.2-104.8 63.3 174.3 -4.9 44.0 20.7 191 439 A K S S+ 0 0 65 1,-0.1 -17,-0.1 -16,-0.0 -18,-0.1 -0.414 81.4 60.1-117.9-164.0 -6.1 41.3 18.4 192 440 A A + 0 0 51 -2,-0.2 2,-0.3 -20,-0.1 -18,-0.2 0.903 58.4 177.4 42.5 99.6 -5.4 40.7 14.7 193 441 A Y B -K 173 0E 8 -20,-2.1 -20,-2.6 -3,-0.1 -1,-0.1 -0.849 9.4-154.7-123.7 164.4 -1.6 40.3 14.0 194 442 A G > - 0 0 7 -2,-0.3 3,-1.8 -22,-0.2 4,-0.2 -0.448 44.5 -59.6-123.6-162.1 0.1 39.5 10.8 195 443 A P T >> S+ 0 0 36 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.754 114.7 77.7 -54.3 -29.2 3.3 38.0 9.4 196 444 A K H 3> S+ 0 0 40 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.532 72.3 79.7 -64.8 -3.5 5.5 40.5 11.3 197 445 A V H <> S+ 0 0 6 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.844 92.2 53.1 -70.7 -28.9 5.1 38.5 14.5 198 446 A D H <> S+ 0 0 0 -3,-2.1 4,-1.9 -4,-0.2 -1,-0.2 0.812 105.3 53.8 -71.9 -30.3 7.7 36.2 13.0 199 447 A I H X S+ 0 0 0 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.917 108.1 48.9 -69.2 -44.2 10.0 39.2 12.5 200 448 A W H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.948 110.5 51.6 -58.8 -46.5 9.7 40.2 16.1 201 449 A S H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.884 106.1 54.4 -59.3 -37.5 10.4 36.6 17.2 202 450 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.898 105.7 53.2 -62.5 -39.5 13.5 36.6 15.0 203 451 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.890 108.1 49.8 -63.3 -37.1 14.7 39.7 16.9 204 452 A I H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.894 108.5 53.6 -68.3 -34.5 14.2 37.9 20.1 205 453 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.863 105.2 53.5 -66.2 -34.0 16.2 35.0 18.7 206 454 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.878 105.9 53.1 -67.6 -35.8 19.0 37.5 17.8 207 455 A I H X>S+ 0 0 2 -4,-1.8 4,-3.6 1,-0.2 5,-0.5 0.922 106.2 54.1 -64.2 -38.3 18.9 38.5 21.5 208 456 A E H X5S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.926 107.8 49.5 -58.5 -44.6 19.4 34.8 22.3 209 457 A M H <5S+ 0 0 9 -4,-2.1 -96,-0.5 2,-0.2 -1,-0.2 0.806 118.7 39.3 -66.3 -27.2 22.5 34.7 20.1 210 458 A I H <5S+ 0 0 52 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.938 133.2 19.0 -83.6 -55.7 23.9 37.7 21.8 211 459 A E H <5S- 0 0 55 -4,-3.6 -3,-0.2 2,-0.2 -2,-0.2 0.540 99.0-113.6 -98.4 -9.5 22.9 37.1 25.5 212 460 A G S < - 0 0 5 0, 0.0 3,-1.3 0, 0.0 -32,-0.1 -0.349 61.3 -79.1 -74.1 161.3 15.4 35.7 25.4 215 463 A P T 3 S+ 0 0 21 0, 0.0 13,-0.1 0, 0.0 21,-0.0 -0.288 113.6 13.3 -62.2 151.3 14.4 38.6 27.7 216 464 A Y T > S+ 0 0 47 1,-0.1 3,-2.7 -3,-0.1 8,-0.1 0.588 74.7 140.1 63.6 12.6 12.5 37.6 30.9 217 465 A L T < + 0 0 67 -3,-1.3 -1,-0.1 1,-0.3 7,-0.1 0.843 70.0 63.1 -53.0 -33.6 13.2 33.9 30.6 218 466 A N T 3 S+ 0 0 115 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.593 94.2 84.2 -64.9 -16.2 13.7 34.0 34.3 219 467 A E S < S- 0 0 60 -3,-2.7 5,-0.1 1,-0.1 0, 0.0 -0.574 94.5 -93.2 -96.4 155.8 10.0 35.0 34.7 220 468 A N >> - 0 0 81 -2,-0.2 4,-1.9 1,-0.1 3,-1.3 -0.434 42.0-119.3 -60.0 135.2 6.8 33.0 34.9 221 469 A P H 3> S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.826 114.8 57.5 -46.4 -39.2 5.5 32.9 31.2 222 470 A L H 3> S+ 0 0 136 1,-0.2 4,-1.1 2,-0.2 -2,-0.0 0.880 109.4 44.4 -61.9 -38.4 2.4 34.6 32.4 223 471 A R H <> S+ 0 0 143 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.833 107.0 58.4 -76.9 -33.9 4.4 37.6 33.7 224 472 A A H X S+ 0 0 0 -4,-1.9 4,-3.6 1,-0.2 5,-0.2 0.921 103.2 53.8 -62.1 -43.5 6.7 37.8 30.6 225 473 A L H X S+ 0 0 32 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.920 110.0 46.4 -58.4 -44.7 3.7 38.3 28.3 226 474 A Y H X S+ 0 0 151 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.917 114.9 47.7 -63.5 -42.8 2.5 41.3 30.5 227 475 A L H X>S+ 0 0 36 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.941 109.4 52.5 -63.6 -47.2 6.1 42.7 30.5 228 476 A I H X5S+ 0 0 7 -4,-3.6 4,-1.4 1,-0.2 -1,-0.2 0.921 114.2 43.8 -53.8 -45.9 6.5 42.2 26.8 229 477 A A H <5S+ 0 0 29 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.741 122.1 37.9 -72.4 -25.8 3.3 44.1 26.2 230 478 A T H <5S+ 0 0 70 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.531 120.8 41.2-105.2 -8.4 4.1 46.8 28.8 231 479 A N H <5S- 0 0 94 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.622 86.9-166.2-109.1 -20.1 7.8 47.3 28.2 232 480 A G << + 0 0 7 -4,-1.4 -1,-0.2 -5,-0.5 -2,-0.1 -0.450 58.2 28.4 71.9-142.3 7.8 47.1 24.5 233 481 A T S S- 0 0 65 -2,-0.1 22,-0.1 1,-0.1 18,-0.0 -0.298 91.3-113.5 -57.2 128.7 11.1 46.7 22.7 234 482 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.193 22.9-127.7 -62.0 152.7 13.6 44.8 24.9 235 483 A E - 0 0 170 3,-0.0 2,-0.1 2,-0.0 3,-0.0 -0.900 20.3-126.6-107.8 132.0 16.8 46.5 26.3 236 484 A L - 0 0 30 -2,-0.4 -29,-0.0 1,-0.1 0, 0.0 -0.442 7.9-136.3 -75.0 150.0 20.2 44.9 25.7 237 485 A Q S S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.950 100.7 14.8 -70.4 -46.0 22.4 44.3 28.7 238 486 A N S > S+ 0 0 92 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.494 70.7 161.0-128.0 64.3 25.6 45.6 26.9 239 487 A P G > S+ 0 0 39 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.784 71.4 66.5 -53.4 -32.8 24.5 47.5 23.7 240 488 A E G 3 S+ 0 0 132 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.712 90.0 65.4 -65.2 -19.7 27.8 49.2 23.4 241 489 A K G < S+ 0 0 171 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.623 92.1 79.2 -78.8 -10.0 29.5 45.9 22.7 242 490 A L S < S- 0 0 22 -3,-1.8 2,-0.0 -4,-0.3 -32,-0.0 -0.671 87.5-105.0 -98.7 153.4 27.5 45.6 19.4 243 491 A S > - 0 0 42 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.313 30.8-114.7 -70.4 157.2 28.2 47.2 16.1 244 492 A A H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.855 115.7 53.1 -61.4 -34.4 26.0 50.1 15.0 245 493 A I H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.849 108.2 48.7 -73.9 -31.1 24.6 48.1 12.1 246 494 A F H > S+ 0 0 0 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.892 111.0 51.3 -72.8 -40.1 23.7 45.1 14.2 247 495 A R H X S+ 0 0 95 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.908 109.9 49.8 -63.9 -37.3 21.9 47.5 16.7 248 496 A D H X S+ 0 0 72 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.911 109.6 51.2 -66.5 -39.6 20.0 49.0 13.7 249 497 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.930 111.7 46.6 -62.3 -45.2 19.0 45.5 12.5 250 498 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 109.2 54.9 -62.8 -44.4 17.7 44.6 16.0 251 499 A N H < S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.3 49.5 -57.5 -38.0 15.9 47.9 16.3 252 500 A R H >< S+ 0 0 59 -4,-1.9 10,-2.3 1,-0.2 3,-0.5 0.833 113.3 45.9 -70.4 -33.6 14.1 47.1 12.9 253 501 A C H 3< S+ 0 0 0 -4,-1.6 -50,-0.2 1,-0.2 -2,-0.2 0.843 117.4 43.2 -76.3 -35.3 13.1 43.6 14.1 254 502 A L T 3< S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.072 76.7 136.2-103.1 25.9 11.9 44.8 17.5 255 503 A D < - 0 0 51 -3,-0.5 6,-0.1 1,-0.1 -3,-0.0 -0.486 49.0-142.8 -74.9 144.5 9.9 47.9 16.7 256 504 A M S S+ 0 0 73 -2,-0.2 2,-0.9 1,-0.1 -1,-0.1 0.874 84.5 78.2 -70.1 -43.6 6.6 48.3 18.5 257 505 A D S >> S- 0 0 91 1,-0.2 4,-1.7 2,-0.1 3,-0.6 -0.628 72.3-154.9 -74.9 108.1 4.8 49.8 15.7 258 506 A V T 34 S+ 0 0 52 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.1 0.844 95.0 54.9 -52.6 -38.4 4.0 46.9 13.4 259 507 A E T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.913 112.2 44.1 -62.6 -39.2 3.8 49.2 10.4 260 508 A K T <4 S+ 0 0 128 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.686 93.2 99.1 -77.7 -23.4 7.4 50.5 11.3 261 509 A R S < S- 0 0 1 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.377 85.4-101.5 -66.3 144.3 8.7 47.0 11.9 262 510 A G - 0 0 0 -10,-2.3 2,-0.2 -2,-0.1 -1,-0.1 -0.342 28.0-135.7 -69.2 148.0 10.7 45.5 9.1 263 511 A S > - 0 0 30 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.550 28.9-108.3 -90.7 166.0 9.1 42.9 6.8 264 512 A A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -134,-0.2 0.918 121.7 53.4 -61.3 -43.9 11.2 39.9 5.8 265 513 A K H 4 S+ 0 0 147 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.900 112.3 45.0 -58.6 -41.4 11.6 41.2 2.3 266 514 A E H >4 S+ 0 0 109 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.911 112.4 49.4 -69.5 -44.4 12.9 44.5 3.7 267 515 A L H >< S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.3 6,-0.3 0.770 96.5 69.3 -69.6 -24.9 15.3 43.0 6.2 268 516 A L T 3< S+ 0 0 31 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.765 100.4 51.3 -63.7 -21.1 16.8 40.6 3.7 269 517 A Q T < S+ 0 0 142 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.460 84.5 125.3 -91.7 -2.8 18.3 43.8 2.2 270 518 A H X> - 0 0 24 -3,-1.7 3,-0.9 1,-0.1 4,-0.5 -0.275 64.7-133.2 -63.3 140.5 19.7 45.0 5.5 271 519 A Q G >4 S+ 0 0 136 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.733 101.0 71.3 -67.2 -20.8 23.4 45.7 5.6 272 520 A F G >4 S+ 0 0 0 -27,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.920 94.6 56.2 -60.1 -39.5 23.9 43.8 8.8 273 521 A L G X4 S+ 0 0 8 -3,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.789 93.7 69.0 -64.4 -23.1 23.3 40.6 6.7 274 522 A K G << S+ 0 0 142 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.619 90.0 60.8 -72.7 -10.4 26.2 41.6 4.4 275 523 A I G < S+ 0 0 73 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.399 77.6 132.9 -93.7 5.1 28.8 40.9 7.2 276 524 A A < - 0 0 23 -3,-1.7 -159,-0.2 -157,-0.2 -160,-0.1 -0.226 51.7-137.2 -56.2 138.3 27.7 37.3 7.4 277 525 A K - 0 0 85 -161,-1.9 -1,-0.1 1,-0.2 5,-0.1 -0.495 40.9 -74.7 -88.7 166.5 30.5 34.8 7.4 278 526 A P > - 0 0 92 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.279 46.6-114.2 -57.6 149.6 30.3 31.6 5.3 279 527 A L G > S+ 0 0 40 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.797 113.8 68.9 -59.8 -27.9 27.9 29.1 6.8 280 528 A S G > S+ 0 0 76 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.713 80.0 78.8 -66.0 -13.1 30.8 26.7 7.5 281 529 A S G < S+ 0 0 24 -3,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.690 87.9 59.8 -65.2 -15.2 32.0 29.3 10.1 282 530 A L G <> S+ 0 0 5 -3,-2.1 4,-2.6 -130,-0.2 3,-0.5 0.707 80.5 86.3 -84.4 -21.8 29.3 27.7 12.3 283 531 A T H <> S+ 0 0 46 -3,-1.2 4,-2.8 -4,-0.3 5,-0.2 0.867 85.5 51.5 -49.4 -47.8 30.7 24.2 12.2 284 532 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.912 113.8 45.2 -60.2 -40.1 33.1 24.7 15.2 285 533 A L H > S+ 0 0 24 -3,-0.5 4,-2.7 -4,-0.4 -2,-0.2 0.893 112.9 49.9 -68.1 -41.2 30.3 26.1 17.4 286 534 A I H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.910 112.4 48.0 -64.2 -40.0 27.9 23.3 16.3 287 535 A A H X S+ 0 0 35 -4,-2.8 4,-2.1 -5,-0.3 5,-0.2 0.937 113.0 47.9 -66.0 -45.4 30.6 20.7 17.1 288 536 A A H X S+ 0 0 48 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.902 113.3 47.1 -61.6 -43.4 31.3 22.3 20.5 289 537 A A H < S+ 0 0 2 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.813 109.5 54.5 -70.4 -29.5 27.6 22.5 21.4 290 538 A K H < S+ 0 0 100 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.932 112.4 41.8 -70.1 -45.5 27.0 18.9 20.3 291 539 A E H < S+ 0 0 170 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.896 115.7 47.3 -68.5 -39.8 29.7 17.4 22.5 292 540 A A < 0 0 56 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.761 360.0 360.0 -67.6 -20.2 28.7 19.7 25.4 293 541 A T 0 0 118 -4,-0.5 -1,-0.2 -5,-0.2 -187,-0.1 -0.554 360.0 360.0 91.1 360.0 25.4 18.3 24.2