==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JAN-09 3FY0 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MAKSIMOSKA,R.MARMORSTEIN,E.MEGGERS . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.2 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 . 41 14.0 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 . 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 2 3 0 0 0 1 0 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 1 2 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 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 132.2 40.9 13.7 47.0 2 250 A D H > + 0 0 128 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.752 360.0 55.0 -60.9 -31.6 38.6 10.6 46.8 3 251 A E H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.974 112.5 40.1 -67.2 -54.7 40.1 8.9 49.9 4 252 A E H > S+ 0 0 147 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.854 112.6 58.0 -64.9 -36.6 39.6 11.7 52.3 5 253 A I H X S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.960 108.9 44.7 -53.6 -53.4 36.2 12.5 50.8 6 254 A L H X S+ 0 0 59 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.899 114.3 49.1 -61.5 -40.0 35.0 8.9 51.6 7 255 A E H X S+ 0 0 141 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.904 111.3 49.4 -66.5 -41.4 36.5 9.1 55.1 8 256 A K H X S+ 0 0 90 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.901 112.5 46.7 -63.7 -42.8 34.9 12.4 55.8 9 257 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-0.3 0.893 107.4 58.2 -68.1 -37.7 31.4 11.2 54.6 10 258 A R H < S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 105.2 50.2 -56.1 -42.6 31.9 8.0 56.7 11 259 A S H < S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.8 43.9 -61.7 -30.9 32.3 10.2 59.8 12 260 A I H < S+ 0 0 19 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.867 100.4 80.5 -84.0 -42.2 29.0 12.1 58.8 13 261 A V S < S- 0 0 19 -4,-3.0 73,-0.2 1,-0.1 2,-0.2 -0.191 83.0-110.6 -67.7 152.2 26.8 9.1 57.8 14 262 A S B -a 86 0A 47 71,-3.1 73,-0.5 1,-0.1 -1,-0.1 -0.537 51.5 -98.6 -63.5 150.3 24.8 6.8 60.0 15 263 A V S S+ 0 0 137 -2,-0.2 2,-0.1 71,-0.1 -1,-0.1 -0.402 77.3 6.7 -72.9 153.4 26.4 3.3 59.8 16 264 A G S S- 0 0 49 71,-0.2 71,-0.3 -2,-0.1 -2,-0.0 -0.359 100.7 -26.1 88.0-153.2 25.2 0.5 57.6 17 265 A D > - 0 0 62 -2,-0.1 3,-1.3 69,-0.1 4,-0.2 -0.784 44.1-135.2-107.1 140.2 22.5 0.3 55.0 18 266 A P G >> S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-1.8 0.757 98.4 74.1 -65.3 -25.1 19.4 2.6 54.7 19 267 A K G 34 S+ 0 0 111 1,-0.3 6,-0.0 2,-0.2 -3,-0.0 0.570 85.6 67.9 -67.3 -5.4 17.1 -0.4 54.0 20 268 A K G <4 S+ 0 0 193 -3,-1.3 -1,-0.3 1,-0.1 3,-0.1 0.714 115.0 24.2 -81.6 -22.7 17.4 -1.2 57.6 21 269 A K T <4 S+ 0 0 68 -3,-1.9 21,-2.1 -4,-0.2 2,-0.4 0.561 122.0 53.6-115.9 -17.7 15.5 1.9 58.6 22 270 A Y B < +F 41 0B 3 -4,-1.8 19,-0.2 19,-0.2 -1,-0.2 -0.975 51.5 166.9-133.3 139.3 13.4 2.7 55.5 23 271 A T + 0 0 85 17,-1.5 2,-1.8 -2,-0.4 -1,-0.1 0.803 53.9 71.1-123.8 -45.9 11.1 0.4 53.7 24 272 A R - 0 0 180 16,-0.2 2,-0.3 2,-0.0 14,-0.1 -0.376 63.1-176.9 -90.1 62.7 8.6 1.7 51.1 25 273 A F + 0 0 53 -2,-1.8 2,-0.4 -3,-0.1 14,-0.2 -0.438 9.7 165.0 -69.3 119.6 11.1 2.5 48.3 26 274 A E E -B 38 0A 109 12,-2.0 12,-2.0 -2,-0.3 2,-0.1 -0.970 33.7-127.4-137.2 117.2 9.5 4.1 45.2 27 275 A K E +B 37 0A 102 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.385 33.7 164.1 -65.5 137.7 11.6 5.9 42.5 28 276 A I E + 0 0 83 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.535 59.6 21.1-128.5 -19.4 10.4 9.4 41.7 29 277 A G E -B 36 0A 25 7,-1.5 7,-1.4 2,-0.0 2,-0.4 -0.953 61.7-136.6-151.2 167.4 13.3 11.1 39.8 30 278 A Q - 0 0 154 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.991 34.4 -78.4-139.5 135.5 16.5 10.2 37.8 31 279 A G + 0 0 31 -2,-0.4 2,-0.1 1,-0.3 4,-0.1 -0.542 64.0 126.2 -97.6 155.2 20.0 11.6 37.7 32 280 A A S S+ 0 0 95 -2,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.560 121.9 10.4 65.8-143.7 21.9 13.7 36.9 33 281 A S S S- 0 0 44 1,-0.2 21,-0.3 -3,-0.2 2,-0.3 0.955 134.7 -49.3 -59.9 -53.6 22.9 14.1 40.6 34 282 A G - 0 0 13 19,-0.1 2,-0.4 -4,-0.1 -1,-0.2 -0.991 56.7 -73.8-172.3 169.5 21.0 10.9 41.5 35 283 A T E - C 0 52A 30 17,-0.9 17,-2.4 -2,-0.3 2,-0.4 -0.635 49.1-149.8 -68.0 121.5 18.0 8.5 41.6 36 284 A V E -BC 29 51A 38 -7,-1.4 -8,-3.0 -2,-0.4 -7,-1.5 -0.802 18.1-179.3-100.4 139.8 15.5 10.0 44.0 37 285 A Y E -BC 27 50A 48 13,-2.4 13,-1.8 -2,-0.4 2,-0.3 -0.838 23.7-135.3-126.0 164.8 13.1 7.8 45.9 38 286 A T E +BC 26 49A 8 -12,-2.0 -12,-2.0 -2,-0.3 2,-0.3 -0.842 37.4 151.5-107.5 159.3 10.2 8.1 48.4 39 287 A A E - C 0 48A 3 9,-1.5 9,-4.0 -2,-0.3 2,-0.4 -0.966 37.8-104.0-171.5 174.5 10.2 5.8 51.5 40 288 A M E - C 0 47A 24 -2,-0.3 -17,-1.5 7,-0.2 2,-0.8 -0.963 19.2-129.4-121.8 131.3 9.0 5.5 55.1 41 289 A D B > -F 22 0B 16 5,-2.5 4,-3.9 -2,-0.4 5,-0.5 -0.684 29.1-152.6 -66.8 107.7 11.0 5.7 58.4 42 290 A V T 4 S+ 0 0 84 -21,-2.1 -1,-0.2 -2,-0.8 -20,-0.1 0.878 87.6 55.1 -64.6 -39.3 9.6 2.5 59.8 43 291 A A T 4 S+ 0 0 94 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.927 127.1 17.9 -51.2 -52.5 10.0 3.5 63.4 44 292 A T T 4 S- 0 0 100 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.663 92.8-127.8-101.2 -22.5 7.9 6.7 63.0 45 293 A G < + 0 0 57 -4,-3.9 2,-0.4 1,-0.3 -3,-0.2 0.617 53.3 153.6 76.0 12.5 6.0 6.3 59.8 46 294 A Q - 0 0 79 -5,-0.5 -5,-2.5 1,-0.0 2,-0.3 -0.614 46.0-126.6 -68.8 126.0 7.3 9.6 58.4 47 295 A E E -C 40 0A 97 -2,-0.4 51,-0.9 -7,-0.2 2,-0.2 -0.635 37.2-170.2 -73.7 133.2 7.3 9.6 54.6 48 296 A V E -CD 39 97A 0 -9,-4.0 -9,-1.5 -2,-0.3 2,-0.5 -0.786 26.0-131.0-127.6 163.9 10.8 10.6 53.3 49 297 A A E -CD 38 96A 16 47,-3.3 47,-3.8 -2,-0.2 2,-0.4 -0.984 25.5-166.2-113.3 126.3 12.8 11.6 50.2 50 298 A I E -CD 37 95A 0 -13,-1.8 -13,-2.4 -2,-0.5 2,-0.5 -0.960 8.6-154.0-119.3 129.6 16.1 9.7 49.6 51 299 A R E -CD 36 94A 45 43,-2.7 43,-1.9 -2,-0.4 2,-0.5 -0.868 8.0-157.3 -96.3 128.1 18.8 10.7 47.1 52 300 A Q E -CD 35 93A 41 -17,-2.4 -17,-0.9 -2,-0.5 2,-0.4 -0.935 15.7-176.5-106.9 124.8 21.0 7.9 45.8 53 301 A M E - D 0 92A 3 39,-2.9 39,-2.6 -2,-0.5 2,-0.8 -0.983 26.2-147.7-126.3 127.7 24.4 9.0 44.5 54 302 A N E > - D 0 91A 69 -2,-0.4 3,-1.2 -21,-0.3 4,-0.5 -0.854 17.2-159.3 -85.3 112.2 27.3 7.2 42.9 55 303 A L G > S+ 0 0 19 35,-3.0 3,-0.7 -2,-0.8 -1,-0.1 0.797 84.4 65.1 -67.3 -31.0 30.2 9.1 44.2 56 304 A Q G 3 S+ 0 0 93 34,-0.3 -1,-0.2 1,-0.2 35,-0.1 0.679 111.6 38.1 -65.4 -17.8 32.6 8.0 41.4 57 305 A Q G < S+ 0 0 126 -3,-1.2 -1,-0.2 -24,-0.1 -2,-0.2 0.416 91.9 102.6-110.8 -3.2 30.4 9.8 38.9 58 306 A Q < - 0 0 45 -3,-0.7 3,-0.4 -4,-0.5 -25,-0.1 -0.740 58.7-157.3 -84.6 117.3 29.6 12.8 41.1 59 307 A P S S+ 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.885 79.1 34.8 -65.4 -41.7 31.8 15.8 39.9 60 308 A K > + 0 0 132 1,-0.2 3,-1.0 2,-0.1 4,-0.5 -0.701 58.6 162.9-124.7 82.1 31.8 18.0 43.0 61 309 A K T >> S+ 0 0 8 -2,-0.5 4,-2.1 -3,-0.4 3,-0.8 0.801 72.3 68.4 -72.1 -35.5 31.9 15.9 46.3 62 310 A E H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.818 97.9 58.7 -45.9 -33.3 33.1 18.8 48.5 63 311 A L H <> S+ 0 0 67 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.803 103.1 47.1 -74.9 -31.8 29.6 20.2 47.8 64 312 A I H <> S+ 0 0 10 -3,-0.8 4,-2.4 -4,-0.5 5,-0.2 0.910 112.6 50.8 -73.2 -41.4 27.6 17.3 49.2 65 313 A I H X S+ 0 0 20 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.970 114.4 44.0 -55.8 -54.9 29.7 17.3 52.3 66 314 A N H X S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.906 110.7 56.1 -54.1 -45.0 29.1 21.0 52.7 67 315 A E H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.941 112.4 40.0 -56.3 -50.4 25.4 20.5 51.9 68 316 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.902 114.5 52.0 -65.2 -48.1 24.8 18.0 54.7 69 317 A L H X S+ 0 0 41 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.903 113.7 43.9 -56.2 -44.9 27.0 19.8 57.3 70 318 A V H < S+ 0 0 4 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.948 117.2 45.0 -68.5 -45.3 25.2 23.1 56.7 71 319 A M H >< S+ 0 0 4 -4,-2.3 3,-1.7 -5,-0.3 -2,-0.2 0.918 109.0 55.2 -65.8 -43.5 21.8 21.6 56.7 72 320 A R H 3< S+ 0 0 102 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.858 114.1 41.8 -57.2 -37.1 22.4 19.4 59.8 73 321 A E T 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.385 115.7 52.2 -90.8 4.2 23.4 22.5 61.7 74 322 A N < + 0 0 8 -3,-1.7 -1,-0.2 -4,-0.3 2,-0.2 -0.266 66.9 165.5-139.9 46.6 20.6 24.6 60.3 75 323 A K + 0 0 101 -3,-0.4 5,-0.1 6,-0.1 -3,-0.1 -0.491 11.0 165.6 -72.5 133.7 17.3 22.8 60.8 76 324 A N > - 0 0 23 -2,-0.2 3,-1.9 3,-0.2 5,-0.2 -0.993 47.6-123.0-149.7 139.5 14.2 25.1 60.3 77 325 A P T 3 S+ 0 0 94 0, 0.0 78,-0.1 0, 0.0 4,-0.1 0.773 115.8 52.1 -50.7 -30.2 10.4 24.6 59.8 78 326 A N T 3 S+ 0 0 13 78,-0.1 79,-2.4 49,-0.1 2,-0.4 0.077 100.9 77.3 -97.6 21.7 10.7 26.6 56.5 79 327 A I B < S-g 157 0C 3 -3,-1.9 2,-1.3 77,-0.3 -3,-0.2 -0.987 87.4-121.6-127.0 137.2 13.5 24.4 55.3 80 328 A V - 0 0 2 77,-3.0 79,-0.1 -2,-0.4 -2,-0.1 -0.697 52.4-138.6 -73.2 96.4 13.1 20.9 53.8 81 329 A N - 0 0 14 -2,-1.3 16,-1.7 -5,-0.2 2,-0.3 -0.249 4.2-113.7 -75.5 151.7 15.5 19.5 56.5 82 330 A Y E + E 0 96A 13 14,-0.2 14,-0.2 1,-0.1 -1,-0.1 -0.597 34.2 177.2 -73.6 135.1 18.3 16.9 56.3 83 331 A L E - 0 0 46 12,-2.9 2,-0.3 1,-0.4 13,-0.2 0.781 50.0 -32.6-110.0 -41.5 17.3 13.8 58.2 84 332 A D E - E 0 95A 18 11,-1.2 11,-3.3 2,-0.0 -1,-0.4 -0.965 47.5-149.2-174.3 167.4 20.0 11.1 57.8 85 333 A S E - E 0 94A 0 -2,-0.3 -71,-3.1 9,-0.2 2,-0.3 -0.986 3.1-164.4-159.0 156.4 22.6 9.6 55.5 86 334 A Y E -aE 14 93A 10 7,-2.0 7,-3.1 -2,-0.3 2,-0.5 -0.978 7.7-155.8-142.4 142.3 24.3 6.3 54.7 87 335 A L E + E 0 92A 34 -73,-0.5 2,-0.6 -71,-0.3 5,-0.2 -0.978 11.2 179.9-123.4 113.9 27.4 5.5 52.7 88 336 A V E > - E 0 91A 54 3,-3.2 3,-2.0 -2,-0.5 2,-0.4 -0.928 67.1 -58.7-112.0 105.4 27.5 2.0 51.3 89 337 A G T 3 S- 0 0 61 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.504 122.0 -16.4 57.3-116.5 30.9 1.7 49.4 90 338 A D T 3 S+ 0 0 45 -2,-0.4 -35,-3.0 -3,-0.1 2,-0.6 0.217 119.7 100.5 -97.3 10.6 30.9 4.4 46.8 91 339 A E E < -DE 54 88A 58 -3,-2.0 -3,-3.2 -37,-0.2 2,-0.4 -0.885 54.9-165.2-112.3 114.5 27.1 4.9 47.1 92 340 A L E -DE 53 87A 0 -39,-2.6 -39,-2.9 -2,-0.6 2,-0.4 -0.812 3.3-164.5-100.7 133.0 25.8 7.7 49.2 93 341 A W E -DE 52 86A 4 -7,-3.1 -7,-2.0 -2,-0.4 2,-0.5 -0.970 1.9-168.6-113.2 131.1 22.2 8.0 50.4 94 342 A V E -DE 51 85A 0 -43,-1.9 -43,-2.7 -2,-0.4 2,-0.5 -0.988 11.6-150.9-120.8 118.3 20.9 11.3 51.7 95 343 A V E +DE 50 84A 0 -11,-3.3 -12,-2.9 -2,-0.5 -11,-1.2 -0.808 21.3 175.7 -96.4 128.2 17.6 11.2 53.5 96 344 A M E -DE 49 82A 13 -47,-3.8 -47,-3.3 -2,-0.5 -14,-0.2 -0.859 37.7 -92.2-127.3 160.6 15.3 14.3 53.4 97 345 A E E -D 48 0A 31 -16,-1.7 2,-0.4 -2,-0.3 -49,-0.2 -0.422 45.0-137.3 -62.7 145.4 11.9 15.4 54.4 98 346 A Y - 0 0 73 -51,-0.9 2,-0.5 -2,-0.1 -51,-0.1 -0.947 14.3-163.6-116.0 132.8 9.4 14.8 51.7 99 347 A L > - 0 0 25 -2,-0.4 3,-0.6 1,-0.1 50,-0.2 -0.975 5.2-160.5-117.7 125.5 6.7 17.3 50.6 100 348 A A T 3 S+ 0 0 28 -2,-0.5 50,-0.2 1,-0.2 -1,-0.1 0.581 75.8 75.1 -86.0 -9.9 3.9 15.9 48.5 101 349 A G T 3 S- 0 0 5 48,-1.6 -1,-0.2 1,-0.2 49,-0.2 0.109 90.7-131.2 -94.9 20.0 2.6 19.1 47.0 102 350 A G < - 0 0 29 -3,-0.6 47,-3.0 47,-0.1 -1,-0.2 0.045 38.8 -40.2 64.4-170.8 5.3 19.8 44.4 103 351 A S B >> -H 148 0C 19 45,-0.2 4,-1.1 1,-0.1 3,-0.6 -0.470 45.6-116.2 -88.7 159.6 7.3 23.0 43.7 104 352 A L H 3> S+ 0 0 1 43,-1.9 4,-3.1 40,-1.1 5,-0.2 0.812 111.9 70.6 -60.1 -32.3 6.1 26.6 43.6 105 353 A T H 3> S+ 0 0 26 39,-0.8 4,-1.5 42,-0.3 -1,-0.2 0.884 96.9 48.8 -50.8 -47.8 7.1 26.5 39.9 106 354 A D H <> S+ 0 0 56 -3,-0.6 4,-1.4 2,-0.2 5,-0.3 0.885 111.8 49.9 -62.5 -40.9 4.1 24.3 39.1 107 355 A V H X S+ 0 0 6 -4,-1.1 4,-2.2 1,-0.2 3,-0.4 0.962 112.9 45.4 -61.4 -48.5 1.8 26.6 41.1 108 356 A V H < S+ 0 0 11 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.725 117.6 44.3 -69.4 -21.4 3.1 29.7 39.2 109 357 A T H < S+ 0 0 74 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.641 124.4 31.1 -95.5 -17.7 2.8 28.0 35.8 110 358 A E H < S+ 0 0 91 -4,-1.4 2,-0.2 -3,-0.4 -2,-0.2 0.597 119.9 34.5-117.7 -17.0 -0.6 26.3 36.3 111 359 A T S < S- 0 0 27 -4,-2.2 2,-0.5 -5,-0.3 174,-0.0 -0.749 71.4-118.6-135.3 178.1 -2.5 28.6 38.5 112 360 A C - 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0 0 104 1,-0.1 2,-1.4 16,-0.1 3,-0.3 -0.260 60.7-136.0 -57.3 127.6 31.3 32.8 43.0 176 424 A M + 0 0 94 1,-0.2 -1,-0.1 12,-0.0 7,-0.0 -0.669 52.8 138.1 -82.9 84.4 28.6 32.9 40.4 177 425 A V + 0 0 34 -2,-1.4 -1,-0.2 -15,-0.1 -2,-0.0 0.661 38.0 96.2-104.8 -20.9 26.6 29.8 41.5 178 426 A G S S- 0 0 14 -3,-0.3 -37,-0.2 1,-0.1 5,-0.1 -0.081 86.0 -89.0 -70.5 167.9 23.0 31.0 41.1 179 427 A T >> - 0 0 29 -39,-0.2 3,-1.4 1,-0.1 4,-0.8 -0.674 42.6-124.7 -74.3 126.2 20.5 30.5 38.3 180 428 A P G >4 S+ 0 0 31 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.786 103.3 53.2 -41.7 -48.4 21.0 33.5 35.9 181 429 A Y G 34 S+ 0 0 29 1,-0.3 36,-0.1 36,-0.1 -3,-0.0 0.733 115.0 42.2 -69.9 -22.2 17.4 34.9 35.8 182 430 A W G <4 S+ 0 0 16 -3,-1.4 -1,-0.3 32,-0.1 22,-0.2 0.507 89.5 119.6 -98.0 -8.5 17.2 35.1 39.6 183 431 A M << - 0 0 11 -3,-1.0 15,-0.1 -4,-0.8 -42,-0.0 -0.344 67.1-117.0 -67.8 134.6 20.8 36.5 40.1 184 432 A A >> - 0 0 2 1,-0.1 3,-1.0 -2,-0.1 4,-0.6 -0.347 25.0-120.5 -59.8 145.3 21.3 39.8 41.8 185 433 A P H >> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 3,-1.0 0.849 110.2 62.3 -59.5 -35.7 23.0 42.4 39.4 186 434 A E H 3> S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 6,-0.4 0.752 88.7 69.7 -64.3 -25.7 26.0 42.8 41.8 187 435 A V H <4 S+ 0 0 12 -3,-1.0 -1,-0.2 1,-0.2 6,-0.1 0.867 115.2 27.0 -59.2 -34.5 26.9 39.1 41.4 188 436 A V H << S+ 0 0 57 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.740 123.9 49.2 -95.7 -27.8 27.9 40.1 37.8 189 437 A T H < S+ 0 0 89 -4,-2.1 2,-0.2 2,-0.0 -3,-0.2 0.708 120.2 21.2 -90.2 -19.2 28.8 43.8 38.2 190 438 A R < - 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0 0 6 0, 0.0 3,-1.2 0, 0.0 2,-0.1 -0.368 58.1 -80.1 -71.9 163.2 11.1 35.6 35.8 215 463 A P T 3 S+ 0 0 19 0, 0.0 13,-0.1 0, 0.0 -7,-0.0 -0.483 116.3 14.6 -65.0 144.8 12.1 38.5 33.6 216 464 A Y T > S+ 0 0 52 -2,-0.1 3,-2.2 -3,-0.1 8,-0.1 0.633 75.7 146.3 70.1 19.1 14.1 37.4 30.5 217 465 A L T < S+ 0 0 62 -3,-1.2 7,-0.1 1,-0.3 -36,-0.1 0.902 71.9 52.0 -51.4 -41.8 13.1 33.7 30.8 218 466 A N T 3 S+ 0 0 138 2,-0.1 -1,-0.3 6,-0.0 2,-0.3 0.269 94.7 91.1 -84.0 9.7 13.1 33.4 27.0 219 467 A E S < S- 0 0 71 -3,-2.2 5,-0.1 1,-0.1 0, 0.0 -0.700 92.7 -90.3 -96.4 155.7 16.6 34.9 26.5 220 468 A N >> - 0 0 97 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.422 40.0-119.8 -55.6 137.2 19.8 32.9 26.4 221 469 A P H 3> S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.812 113.4 55.8 -54.1 -34.6 21.1 32.7 30.1 222 470 A L H 3> S+ 0 0 143 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.860 109.3 45.3 -65.6 -39.6 24.3 34.5 29.0 223 471 A R H <> S+ 0 0 121 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.744 103.7 65.3 -77.0 -25.3 22.4 37.5 27.7 224 472 A A H X S+ 0 0 0 -4,-1.7 4,-3.3 1,-0.2 5,-0.2 0.917 99.9 50.4 -62.6 -44.3 20.1 37.6 30.7 225 473 A L H X S+ 0 0 29 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.805 109.4 51.0 -65.3 -33.3 22.9 38.5 33.1 226 474 A Y H X S+ 0 0 137 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.895 113.6 45.7 -67.5 -40.4 24.0 41.3 30.7 227 475 A L H X S+ 0 0 19 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.918 112.9 48.3 -69.7 -45.5 20.3 42.6 30.8 228 476 A I H X S+ 0 0 7 -4,-3.3 4,-2.3 1,-0.2 3,-0.2 0.975 114.6 48.2 -52.7 -55.8 20.0 42.2 34.6 229 477 A A H < S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.711 120.6 35.2 -55.9 -30.9 23.3 44.1 34.9 230 478 A T H < S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.615 123.4 39.7-106.2 -18.8 22.4 46.9 32.5 231 479 A N H < S- 0 0 95 -4,-2.5 2,-0.2 -3,-0.2 -3,-0.2 0.611 83.8-173.0 -99.3 -22.0 18.6 47.3 33.2 232 480 A G < + 0 0 6 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.460 59.7 38.8 65.4-126.5 18.8 46.9 36.9 233 481 A T S S- 0 0 52 -2,-0.2 22,-0.1 1,-0.1 18,-0.0 -0.420 91.0-124.0 -63.9 116.6 15.3 46.8 38.6 234 482 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.235 20.7-125.3 -66.3 149.5 13.1 44.7 36.3 235 483 A E - 0 0 174 2,-0.0 2,-0.3 1,-0.0 3,-0.1 -0.706 17.1-125.4 -95.7 145.2 9.8 46.3 35.2 236 484 A L - 0 0 32 -2,-0.3 -29,-0.0 1,-0.1 -1,-0.0 -0.705 11.4-133.7 -84.5 140.5 6.4 44.7 35.6 237 485 A Q S S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.942 102.1 13.3 -54.3 -48.5 4.2 44.2 32.6 238 486 A N > + 0 0 74 1,-0.1 3,-1.6 -3,-0.1 4,-0.4 -0.612 67.6 165.8-133.5 77.4 1.2 45.6 34.5 239 487 A P G > S+ 0 0 51 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.826 73.5 66.8 -65.4 -31.4 2.2 47.4 37.7 240 488 A E G 3 S+ 0 0 122 1,-0.3 4,-0.1 7,-0.0 -2,-0.0 0.641 89.7 64.3 -63.4 -19.1 -1.2 49.0 38.1 241 489 A K G < S+ 0 0 151 -3,-1.6 2,-0.3 2,-0.1 -1,-0.3 0.675 92.3 79.8 -78.1 -18.4 -2.9 45.7 38.8 242 490 A L S < S- 0 0 19 -3,-1.5 -32,-0.0 -4,-0.4 5,-0.0 -0.689 90.4-107.6 -89.2 141.8 -0.9 45.2 42.0 243 491 A S > - 0 0 45 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.196 32.5-111.9 -54.8 157.8 -1.8 46.9 45.3 244 492 A A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.850 116.6 52.2 -62.7 -35.5 0.5 49.8 46.3 245 493 A I H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 27,-0.3 0.826 108.2 51.5 -76.9 -31.2 2.0 47.9 49.3 246 494 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 109.7 48.9 -64.9 -50.4 2.8 44.9 47.1 247 495 A R H X S+ 0 0 98 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.885 111.2 52.1 -53.7 -40.4 4.6 47.2 44.7 248 496 A D H X S+ 0 0 66 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.937 107.9 49.7 -63.2 -48.0 6.5 48.7 47.7 249 497 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.893 111.5 49.9 -55.4 -44.2 7.5 45.3 48.9 250 498 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.914 108.3 51.9 -61.6 -48.1 8.8 44.5 45.4 251 499 A N H < S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 109.4 51.6 -55.2 -36.8 10.8 47.8 45.2 252 500 A R H < S+ 0 0 69 -4,-2.1 10,-1.9 1,-0.2 3,-0.3 0.838 113.7 43.0 -71.6 -33.1 12.3 46.8 48.6 253 501 A C H < S+ 0 0 0 -4,-1.7 -50,-0.3 1,-0.2 -2,-0.2 0.828 119.5 41.7 -76.5 -35.1 13.4 43.4 47.3 254 502 A L S < S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.079 79.1 142.0-107.3 21.4 14.6 44.5 43.9 255 503 A E - 0 0 45 -3,-0.3 6,-0.1 1,-0.1 -3,-0.1 -0.406 46.6-145.7 -61.8 135.3 16.4 47.6 45.0 256 504 A M S S+ 0 0 77 -2,-0.1 2,-0.8 1,-0.1 -1,-0.1 0.810 83.9 76.2 -75.7 -36.4 19.7 48.2 43.1 257 505 A D S > S- 0 0 80 1,-0.2 4,-2.5 2,-0.0 3,-0.4 -0.739 73.4-154.4 -79.4 110.6 21.5 49.7 46.1 258 506 A V T 4 S+ 0 0 47 -2,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.892 95.7 53.1 -52.3 -46.0 22.4 46.7 48.3 259 507 A E T 4 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.874 113.0 44.0 -56.7 -41.0 22.5 48.9 51.4 260 508 A K T 4 S+ 0 0 128 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.813 92.7 98.9 -71.7 -34.3 19.0 50.2 50.5 261 509 A R S < S- 0 0 0 -4,-2.5 -8,-0.2 -6,-0.1 -9,-0.1 -0.296 85.6-107.0 -57.0 136.0 17.7 46.7 49.7 262 510 A G - 0 0 0 -10,-1.9 2,-0.2 -13,-0.1 -1,-0.1 -0.337 25.9-132.2 -65.3 145.4 15.7 45.3 52.6 263 511 A S > - 0 0 30 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.466 29.6-105.6 -82.5 169.5 17.2 42.5 54.7 264 512 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.943 122.3 53.9 -60.8 -46.7 15.1 39.4 55.5 265 513 A K H 4 S+ 0 0 127 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.856 112.3 44.2 -53.3 -42.9 14.6 40.7 59.1 266 514 A E H >4 S+ 0 0 105 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.878 111.0 52.9 -70.1 -43.3 13.4 44.1 57.8 267 515 A L H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 6,-0.3 0.805 95.6 67.7 -67.8 -27.8 11.1 42.6 55.2 268 516 A L T 3< S+ 0 0 44 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 100.7 52.8 -60.4 -19.2 9.4 40.3 57.8 269 517 A Q T < S+ 0 0 131 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.510 83.7 120.7 -89.1 -8.5 8.0 43.7 59.2 270 518 A H X - 0 0 23 -3,-1.8 3,-1.1 -4,-0.2 4,-0.5 -0.295 66.7-133.2 -69.5 139.7 6.6 44.8 55.8 271 519 A Q G > S+ 0 0 136 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.690 100.4 72.6 -67.7 -19.1 2.9 45.5 55.7 272 520 A F G > S+ 0 0 0 -27,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.910 95.0 53.9 -58.5 -39.7 2.6 43.5 52.4 273 521 A L G X S+ 0 0 9 -3,-1.1 3,-1.7 -6,-0.3 -1,-0.2 0.722 93.2 71.9 -68.8 -23.0 3.0 40.4 54.5 274 522 A K G < S+ 0 0 141 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.576 89.5 60.0 -73.1 -8.0 0.2 41.3 56.9 275 523 A I G < S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.427 78.7 138.2 -91.1 1.0 -2.3 40.6 54.1 276 524 A A < - 0 0 25 -3,-1.7 -159,-0.2 -157,-0.2 -160,-0.1 -0.112 48.6-137.0 -45.9 132.4 -1.1 37.0 54.1 277 525 A K - 0 0 78 -161,-2.7 -1,-0.1 1,-0.1 5,-0.1 -0.583 38.4 -78.9 -82.1 157.7 -3.8 34.4 53.8 278 526 A P > - 0 0 91 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.309 43.7-117.5 -47.4 136.6 -3.8 31.3 55.9 279 527 A L G > S+ 0 0 42 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.783 112.9 70.5 -47.2 -30.8 -1.3 28.8 54.3 280 528 A S G > S+ 0 0 79 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.750 81.1 73.6 -64.6 -22.4 -4.3 26.5 53.8 281 529 A S G < S+ 0 0 26 -3,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.700 89.4 61.5 -61.8 -18.7 -5.6 28.9 51.1 282 530 A L G X> S+ 0 0 6 -3,-2.0 4,-2.3 -4,-0.2 3,-0.6 0.675 80.6 87.1 -77.5 -21.4 -2.7 27.5 48.9 283 531 A T H <> S+ 0 0 47 -3,-1.5 4,-2.6 -4,-0.3 5,-0.2 0.844 85.2 49.0 -56.5 -44.3 -4.1 24.0 49.0 284 532 A P H 3> S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 113.4 48.6 -64.0 -31.5 -6.5 24.3 45.9 285 533 A L H <> S+ 0 0 28 -3,-0.6 4,-2.6 -4,-0.3 -2,-0.2 0.889 111.8 48.9 -70.8 -41.4 -3.7 25.8 43.8 286 534 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.947 113.2 47.6 -60.6 -47.9 -1.4 23.0 44.9 287 535 A A H X S+ 0 0 46 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.908 113.4 46.9 -60.8 -45.6 -4.1 20.4 44.0 288 536 A A H X S+ 0 0 50 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.905 113.1 48.7 -65.1 -44.0 -4.8 22.0 40.6 289 537 A A H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.854 112.2 49.5 -61.2 -36.8 -1.1 22.3 39.8 290 538 A K H < S+ 0 0 103 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.951 112.3 47.2 -69.9 -49.1 -0.5 18.6 40.8 291 539 A E H < S+ 0 0 166 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.3 44.2 -53.6 -47.9 -3.5 17.5 38.6 292 540 A A H < 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.767 360.0 360.0 -68.3 -26.6 -2.2 19.6 35.7 293 541 A T < 0 0 123 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.462 360.0 360.0 59.3 360.0 1.4 18.4 36.4