==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-10 3Q52 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,J.-W.WU,Z.-X.WANG . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 66.9 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 . 43 14.7 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 . 14 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 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 . 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 1 1 0 1 0 0 2 2 0 1 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 . 2 1 1 0 0 3 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 1 250 A D > 0 0 114 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.7 -38.7 -40.2 13.9 2 251 A E H > + 0 0 170 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 360.0 51.6 -63.8 -40.8 -39.5 -42.7 11.2 3 252 A E H > S+ 0 0 168 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.842 106.6 53.9 -62.8 -37.3 -39.4 -39.8 8.7 4 253 A I H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 108.6 49.6 -63.7 -41.5 -36.0 -38.8 10.1 5 254 A L H X S+ 0 0 47 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 110.0 49.6 -64.7 -41.0 -34.8 -42.3 9.5 6 255 A E H X S+ 0 0 104 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.926 110.8 50.1 -66.4 -37.9 -36.1 -42.3 6.0 7 256 A K H X S+ 0 0 89 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.904 111.7 48.4 -63.5 -41.6 -34.4 -39.0 5.2 8 257 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 3,-0.4 0.924 106.5 56.6 -66.2 -33.7 -31.2 -40.3 6.6 9 258 A R H < S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 104.9 52.1 -76.7 -17.1 -31.5 -43.4 4.6 10 259 A S H < S+ 0 0 89 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.858 113.1 46.6 -77.1 -31.9 -31.8 -41.3 1.4 11 260 A I H < S+ 0 0 21 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.880 99.1 77.2 -77.8 -42.8 -28.6 -39.4 2.3 12 261 A V S < S- 0 0 18 -4,-2.3 73,-0.2 -5,-0.1 2,-0.1 -0.189 82.7-107.7 -74.7 161.2 -26.3 -42.2 3.4 13 262 A S B -a 85 0A 46 71,-2.8 73,-0.6 1,-0.1 2,-0.1 -0.476 49.3 -96.4 -72.8 157.7 -24.3 -44.7 1.2 14 263 A V S S+ 0 0 140 -2,-0.1 -1,-0.1 71,-0.1 2,-0.1 -0.417 74.8 6.6 -81.6 154.9 -25.7 -48.2 1.3 15 264 A G S S- 0 0 52 71,-0.2 71,-0.4 -2,-0.1 -2,-0.0 -0.301 98.3 -30.9 85.1-161.6 -24.5 -51.1 3.4 16 265 A D > - 0 0 67 1,-0.1 3,-1.0 69,-0.1 4,-0.3 -0.822 42.4-142.5-102.5 137.1 -22.1 -51.5 6.3 17 266 A P G >> S+ 0 0 1 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.623 87.1 82.8 -72.2 -15.2 -19.0 -49.3 6.6 18 267 A K G 34 S+ 0 0 119 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.673 76.8 69.2 -69.9 -19.5 -16.7 -52.0 7.9 19 268 A K G <4 S+ 0 0 138 -3,-1.0 -1,-0.3 1,-0.2 -4,-0.0 0.983 109.6 39.6 -49.0 -58.3 -16.1 -53.3 4.4 20 269 A K T <4 S+ 0 0 61 -3,-0.7 21,-2.8 -4,-0.3 2,-0.5 0.664 104.5 66.3 -67.0 -31.2 -14.2 -50.0 4.2 21 270 A Y E < -B 40 0A 11 -4,-1.0 3,-0.2 19,-0.2 2,-0.2 -0.876 48.9-175.1-120.8 130.7 -12.3 -49.4 7.4 22 271 A T E +B 39 0A 55 17,-2.3 17,-2.4 -2,-0.5 -3,-0.0 -0.639 61.9 22.3-101.5 153.5 -9.5 -51.0 9.1 23 272 A R E - 0 0 155 -2,-0.2 -1,-0.2 15,-0.2 2,-0.2 0.851 67.3-161.3 70.8 45.5 -7.8 -50.4 12.4 24 273 A F E - 0 0 65 -3,-0.2 2,-0.4 14,-0.1 14,-0.2 -0.401 9.0-176.0 -62.9 126.3 -10.4 -48.5 14.6 25 274 A E E -B 37 0A 112 12,-2.5 12,-2.6 -2,-0.2 2,-0.8 -0.992 24.8-129.4-119.8 135.6 -9.0 -46.7 17.5 26 275 A K E +B 36 0A 124 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.743 35.9 162.8 -89.6 108.4 -11.4 -45.0 19.9 27 276 A I E + 0 0 96 8,-1.8 2,-0.3 -2,-0.8 9,-0.2 0.409 64.4 17.1-103.2 -1.0 -10.3 -41.4 20.5 28 277 A G E -B 35 0A 21 7,-1.4 7,-1.8 2,-0.0 -1,-0.2 -0.978 41.9-175.9-168.8 153.4 -13.6 -40.1 21.9 29 278 A Q E +B 34 0A 148 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.561 33.7 150.3-155.2 81.9 -16.9 -41.0 23.5 30 279 A G - 0 0 49 3,-2.2 -2,-0.0 -2,-0.1 3,-0.0 -0.107 64.3 -92.8-100.2-164.3 -19.1 -38.0 24.0 31 280 A A S S+ 0 0 101 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.707 125.4 62.9 -78.3 -24.7 -22.8 -37.2 24.2 32 281 A S S S- 0 0 71 1,-0.3 2,-0.2 25,-0.1 -1,-0.2 0.719 123.6 -84.7 -69.9 -24.8 -22.4 -36.3 20.5 33 282 A G - 0 0 8 19,-0.1 -3,-2.2 2,-0.0 2,-0.5 -0.766 53.1 -57.5 139.2 174.3 -21.4 -39.9 19.7 34 283 A T E -BC 29 51A 38 17,-2.8 17,-3.7 -5,-0.3 2,-0.5 -0.795 48.9-152.3 -91.8 129.5 -18.4 -42.2 19.8 35 284 A V E -BC 28 50A 35 -7,-1.8 -8,-1.8 -2,-0.5 -7,-1.4 -0.876 14.2-179.5-111.1 126.4 -15.4 -41.1 17.7 36 285 A Y E -BC 26 49A 42 13,-3.2 13,-3.5 -2,-0.5 2,-0.4 -0.870 23.3-139.2-112.8 150.0 -12.8 -43.5 16.1 37 286 A T E +BC 25 48A 5 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.3 -0.840 40.2 160.1 -93.2 149.1 -9.8 -42.8 14.0 38 287 A A E - C 0 47A 4 9,-2.3 9,-2.8 -2,-0.4 2,-0.5 -0.938 36.4-107.3-157.2 176.7 -9.6 -45.4 11.2 39 288 A M E -BC 22 46A 52 -17,-2.4 -17,-2.3 -2,-0.3 2,-0.4 -0.967 25.4-124.5-122.7 130.5 -8.0 -46.2 7.9 40 289 A D E > -B 21 0A 9 5,-3.1 4,-1.8 -2,-0.5 -19,-0.2 -0.548 17.5-147.9 -69.2 124.9 -9.8 -46.3 4.5 41 290 A V T 4 S+ 0 0 71 -21,-2.8 -1,-0.1 -2,-0.4 -20,-0.1 0.887 91.8 39.4 -62.4 -42.1 -9.1 -49.7 2.9 42 291 A A T 4 S+ 0 0 85 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.0 0.871 127.3 26.9 -78.0 -42.1 -9.1 -48.4 -0.7 43 292 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.724 91.3-126.9 -98.7 -24.8 -7.3 -45.1 -0.5 44 293 A G < + 0 0 47 -4,-1.8 -3,-0.1 1,-0.3 2,-0.1 0.338 58.9 149.2 87.4 -4.7 -5.0 -45.5 2.6 45 294 A Q - 0 0 68 -6,-0.1 -5,-3.1 1,-0.1 2,-0.4 -0.338 48.2-126.9 -64.4 137.5 -6.5 -42.3 3.9 46 295 A E E -C 39 0A 96 -7,-0.2 51,-1.6 51,-0.2 2,-0.3 -0.731 35.6-174.8 -85.8 132.7 -6.8 -41.8 7.7 47 296 A V E -CD 38 96A 0 -9,-2.8 -9,-2.3 -2,-0.4 2,-0.5 -0.835 27.2-133.4-128.3 158.9 -10.3 -40.9 8.8 48 297 A A E -CD 37 95A 19 47,-2.7 47,-2.8 -2,-0.3 2,-0.5 -0.984 26.7-162.7-113.3 126.0 -12.2 -39.9 11.8 49 298 A I E -CD 36 94A 0 -13,-3.5 -13,-3.2 -2,-0.5 2,-0.6 -0.934 7.7-157.2-117.9 128.2 -15.5 -41.7 12.2 50 299 A R E -CD 35 93A 42 43,-2.4 43,-2.1 -2,-0.5 2,-0.5 -0.899 9.4-162.2-104.8 123.4 -18.3 -40.6 14.5 51 300 A Q E -CD 34 92A 25 -17,-3.7 -17,-2.8 -2,-0.6 2,-0.4 -0.911 11.2-179.9-108.9 128.4 -20.7 -43.4 15.5 52 301 A M E - D 0 91A 6 39,-2.7 39,-2.6 -2,-0.5 2,-0.7 -0.982 27.9-142.4-129.1 139.2 -24.1 -42.5 16.9 53 302 A N E > - D 0 90A 58 -2,-0.4 3,-1.6 37,-0.2 37,-0.2 -0.859 19.0-153.0 -95.9 114.4 -27.1 -44.5 18.2 54 303 A L G > S+ 0 0 2 35,-3.3 3,-1.6 -2,-0.7 -1,-0.1 0.750 87.6 72.3 -66.1 -23.9 -30.0 -42.5 16.8 55 304 A Q G 3 S+ 0 0 146 34,-0.3 -1,-0.3 1,-0.3 35,-0.1 0.822 104.9 41.2 -56.2 -33.1 -32.3 -43.7 19.7 56 305 A Q G < S+ 0 0 137 -3,-1.6 -1,-0.3 -25,-0.0 -2,-0.2 0.049 88.0 104.1-109.8 24.7 -30.3 -41.4 22.0 57 306 A Q < - 0 0 25 -3,-1.6 3,-0.4 1,-0.1 -25,-0.1 -0.934 50.2-168.3-103.9 113.7 -29.9 -38.4 19.7 58 307 A P S S+ 0 0 122 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.812 80.0 35.0 -71.0 -34.7 -32.3 -35.7 20.9 59 308 A K >> + 0 0 147 1,-0.1 3,-1.0 2,-0.0 4,-0.7 -0.672 63.8 162.4-126.7 75.4 -32.1 -33.3 17.9 60 309 A K H 3> + 0 0 14 -3,-0.4 4,-2.0 -2,-0.4 5,-0.2 0.701 69.3 69.4 -74.7 -18.3 -31.6 -35.4 14.7 61 310 A E H 3> S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.851 94.7 59.0 -64.5 -32.3 -32.6 -32.7 12.4 62 311 A L H <> S+ 0 0 76 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.904 104.0 49.8 -63.0 -40.4 -29.3 -31.0 13.3 63 312 A I H X S+ 0 0 13 -4,-0.7 4,-2.4 2,-0.2 5,-0.2 0.936 111.2 48.2 -64.2 -44.9 -27.4 -34.0 12.1 64 313 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.955 113.2 49.0 -62.3 -43.9 -29.2 -34.1 8.8 65 314 A N H X S+ 0 0 46 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.904 109.7 52.2 -62.0 -40.3 -28.6 -30.4 8.4 66 315 A E H X S+ 0 0 14 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.933 112.2 44.2 -62.5 -45.6 -25.0 -30.8 9.2 67 316 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.935 114.3 49.2 -66.9 -45.0 -24.4 -33.5 6.6 68 317 A L H X S+ 0 0 44 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.913 113.4 46.2 -63.5 -43.3 -26.4 -31.7 3.9 69 318 A V H X S+ 0 0 2 -4,-2.4 4,-0.6 -5,-0.2 3,-0.3 0.958 114.5 47.2 -62.4 -48.5 -24.5 -28.4 4.5 70 319 A M H >< S+ 0 0 7 -4,-2.5 3,-1.0 -5,-0.2 11,-0.2 0.905 109.4 55.0 -59.5 -42.3 -21.1 -30.1 4.6 71 320 A R H 3< S+ 0 0 107 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.852 115.4 37.4 -59.0 -38.4 -21.9 -32.1 1.4 72 321 A E H 3< S+ 0 0 128 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.338 114.5 54.8-100.1 5.9 -22.8 -29.0 -0.6 73 322 A N << + 0 0 12 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 -0.275 67.0 163.8-136.4 48.1 -20.1 -26.7 0.8 74 323 A K + 0 0 97 -3,-0.4 5,-0.1 6,-0.0 6,-0.1 -0.417 9.6 161.2 -66.6 142.0 -16.8 -28.4 0.3 75 324 A N > - 0 0 39 3,-0.3 3,-2.0 -2,-0.1 -2,-0.1 -0.969 51.1-115.0-162.4 147.5 -13.7 -26.2 0.7 76 325 A P T 3 S+ 0 0 97 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.736 117.0 52.4 -59.9 -23.5 -10.0 -26.6 1.3 77 326 A N T 3 S+ 0 0 12 78,-0.1 79,-2.7 2,-0.1 2,-0.4 0.114 98.0 78.0-101.9 22.3 -10.4 -24.8 4.6 78 327 A I B < S-f 156 0B 10 -3,-2.0 -3,-0.3 77,-0.3 79,-0.2 -0.996 94.9-103.5-127.3 133.6 -13.2 -27.0 5.8 79 328 A V - 0 0 6 77,-2.7 2,-0.2 -2,-0.4 -2,-0.1 -0.333 50.0-108.6 -55.6 126.2 -12.6 -30.5 7.2 80 329 A N - 0 0 50 -4,-0.1 16,-2.6 -6,-0.1 2,-0.5 -0.433 21.9-146.0 -67.8 123.4 -13.6 -32.8 4.4 81 330 A Y E + E 0 95A 15 -2,-0.2 14,-0.2 -11,-0.2 3,-0.1 -0.814 22.7 177.7 -82.6 125.8 -16.9 -34.8 4.9 82 331 A L E - 0 0 55 12,-2.7 2,-0.3 -2,-0.5 13,-0.2 0.868 45.5 -37.0-102.0 -46.2 -16.3 -38.1 3.2 83 332 A D E - E 0 94A 27 11,-1.5 11,-3.3 2,-0.0 -1,-0.3 -0.982 42.3-141.2-172.2 166.6 -19.3 -40.4 3.6 84 333 A S E - E 0 93A 0 -2,-0.3 -71,-2.8 9,-0.2 2,-0.3 -0.986 10.9-170.4-146.4 154.5 -22.1 -41.6 5.9 85 334 A Y E -aE 13 92A 18 7,-2.0 7,-2.9 -2,-0.3 2,-0.4 -0.977 9.9-153.6-141.9 152.3 -23.8 -45.0 6.6 86 335 A L E + E 0 91A 30 -73,-0.6 2,-0.6 -71,-0.4 5,-0.2 -0.968 10.6 179.4-132.8 117.6 -26.8 -46.1 8.5 87 336 A V E > S- E 0 90A 50 3,-2.9 3,-2.3 -2,-0.4 2,-0.4 -0.928 71.0 -53.6-118.5 104.5 -27.0 -49.6 10.0 88 337 A G T 3 S- 0 0 65 -2,-0.6 -35,-0.0 1,-0.3 0, 0.0 -0.515 121.6 -24.2 61.4-116.9 -30.3 -49.9 11.8 89 338 A D T 3 S+ 0 0 64 -2,-0.4 -35,-3.3 -3,-0.1 2,-0.7 0.207 116.2 105.4-109.7 23.3 -30.3 -46.9 14.1 90 339 A E E < -DE 53 87A 61 -3,-2.3 -3,-2.9 -37,-0.2 2,-0.4 -0.883 54.7-164.7-102.4 117.6 -26.6 -46.7 14.2 91 340 A L E -DE 52 86A 0 -39,-2.6 -39,-2.7 -2,-0.7 2,-0.4 -0.851 4.0-163.5-105.9 135.2 -25.3 -43.7 12.1 92 341 A W E -DE 51 85A 0 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.5 -0.978 3.0-169.0-117.4 127.2 -21.8 -43.3 11.0 93 342 A V E -DE 50 84A 1 -43,-2.1 -43,-2.4 -2,-0.4 2,-0.5 -0.974 11.5-154.8-116.0 123.3 -20.4 -40.1 9.7 94 343 A V E +DE 49 83A 0 -11,-3.3 -12,-2.7 -2,-0.5 -11,-1.5 -0.851 17.1 172.4-104.9 128.0 -16.9 -40.2 8.1 95 344 A M E -DE 48 81A 16 -47,-2.8 -47,-2.7 -2,-0.5 -14,-0.2 -0.868 39.0 -96.2-125.8 158.1 -14.6 -37.2 8.0 96 345 A E E -D 47 0A 28 -16,-2.6 2,-0.5 -2,-0.3 -49,-0.2 -0.397 43.4-124.3 -69.8 154.7 -11.0 -36.7 7.0 97 346 A Y - 0 0 71 -51,-1.6 2,-0.6 -59,-0.1 -51,-0.2 -0.889 14.6-156.8-107.2 130.5 -8.6 -36.9 9.9 98 347 A L > - 0 0 17 -2,-0.5 3,-0.7 1,-0.1 50,-0.2 -0.934 4.1-158.4-107.0 121.0 -6.2 -34.1 10.7 99 348 A A T 3 S+ 0 0 25 -2,-0.6 50,-0.2 1,-0.2 -1,-0.1 0.394 77.5 74.4 -82.9 3.2 -3.2 -35.4 12.7 100 349 A G T 3 S- 0 0 4 48,-2.0 -1,-0.2 1,-0.3 49,-0.2 0.188 89.4-136.0-104.1 18.7 -2.2 -32.0 14.2 101 350 A G < - 0 0 30 -3,-0.7 47,-2.3 47,-0.1 -1,-0.3 -0.318 42.4 -44.6 66.4-144.8 -5.0 -31.7 16.8 102 351 A S B > -G 147 0B 15 45,-0.2 4,-1.5 1,-0.1 3,-0.5 -0.781 43.0-108.8-122.6 168.4 -6.7 -28.3 17.3 103 352 A L H > S+ 0 0 2 43,-2.4 4,-2.6 40,-1.0 5,-0.2 0.840 116.7 65.6 -61.9 -31.5 -5.8 -24.7 17.6 104 353 A T H > S+ 0 0 25 39,-0.9 4,-1.6 42,-0.3 -1,-0.2 0.924 98.8 50.7 -58.6 -42.8 -6.8 -25.0 21.3 105 354 A D H > S+ 0 0 45 -3,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.915 112.5 48.1 -61.1 -42.2 -3.8 -27.3 21.9 106 355 A V H X S+ 0 0 4 -4,-1.5 4,-2.0 1,-0.2 3,-0.5 0.942 112.3 46.0 -64.6 -46.3 -1.5 -24.8 20.2 107 356 A V H < S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.747 116.4 45.3 -74.1 -20.7 -2.7 -21.7 22.1 108 357 A T H < S+ 0 0 76 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.639 124.0 31.0 -93.8 -14.4 -2.6 -23.5 25.4 109 358 A E H < S+ 0 0 97 -4,-1.0 2,-0.2 -3,-0.5 -2,-0.2 0.543 120.0 33.2-118.9 -14.1 0.8 -25.2 25.1 110 359 A T S < S- 0 0 30 -4,-2.0 2,-0.5 -5,-0.2 174,-0.0 -0.809 71.8-114.5-139.2 176.1 2.8 -22.8 22.8 111 360 A C - 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0 0 10 -2,-0.3 3,-2.1 -22,-0.2 4,-0.2 -0.482 48.8 -58.1-128.2-163.0 -26.1 -12.1 10.7 194 443 A P T > S+ 0 0 38 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.740 115.7 76.8 -55.0 -27.8 -22.9 -13.6 9.3 195 444 A K T 3> S+ 0 0 45 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.572 73.8 79.0 -68.3 -6.3 -20.7 -11.1 11.1 196 445 A V H <> S+ 0 0 8 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.838 91.5 54.5 -63.8 -29.3 -21.2 -13.1 14.3 197 446 A D H <> S+ 0 0 0 -3,-2.2 4,-1.9 -4,-0.2 -1,-0.2 0.813 104.2 53.9 -72.2 -29.9 -18.6 -15.4 12.9 198 447 A I H > S+ 0 0 0 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.909 107.0 50.2 -70.7 -43.9 -16.2 -12.4 12.4 199 448 A W H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 109.8 51.5 -54.1 -48.1 -16.6 -11.4 16.1 200 449 A S H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.890 106.0 54.7 -61.0 -40.4 -15.8 -15.0 17.1 201 450 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.904 106.1 52.9 -56.3 -40.2 -12.7 -15.0 14.9 202 451 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 50,-0.3 -2,-0.2 0.928 107.7 49.7 -62.6 -41.9 -11.6 -11.9 16.8 203 452 A I H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.895 108.5 54.0 -63.4 -37.1 -12.0 -13.7 20.1 204 453 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.868 104.5 54.2 -63.0 -36.8 -10.0 -16.6 18.6 205 454 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.891 106.3 52.4 -64.0 -40.4 -7.2 -14.0 17.8 206 455 A I H X>S+ 0 0 2 -4,-2.0 4,-3.0 1,-0.2 5,-0.5 0.929 106.2 53.9 -62.2 -42.4 -7.3 -13.0 21.4 207 456 A E H X5S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.907 107.3 51.4 -53.2 -43.8 -6.9 -16.7 22.3 208 457 A M H <5S+ 0 0 9 -4,-1.8 -96,-0.5 1,-0.2 -1,-0.2 0.805 117.1 39.3 -69.4 -27.3 -3.8 -16.8 20.1 209 458 A I H <5S+ 0 0 51 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.925 133.2 18.3 -80.2 -51.9 -2.4 -13.8 21.8 210 459 A E H <5S- 0 0 54 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.544 97.6-116.4-107.4 -12.3 -3.3 -14.4 25.5 211 460 A G S < - 0 0 7 0, 0.0 3,-1.2 0, 0.0 -32,-0.1 -0.451 59.2 -79.6 -73.8 158.9 -10.8 -15.8 25.4 214 463 A P T 3 S+ 0 0 22 0, 0.0 13,-0.1 0, 0.0 21,-0.0 -0.280 114.1 13.6 -56.8 147.7 -11.8 -13.0 27.7 215 464 A Y T > S+ 0 0 54 1,-0.1 3,-2.3 -3,-0.1 8,-0.1 0.623 77.7 147.9 66.9 18.2 -13.8 -13.9 30.8 216 465 A L T < + 0 0 56 -3,-1.2 -1,-0.1 1,-0.3 7,-0.1 0.860 69.6 49.9 -54.5 -41.3 -12.9 -17.6 30.5 217 466 A N T 3 S+ 0 0 140 2,-0.1 2,-0.3 6,-0.0 -1,-0.3 0.244 93.8 94.5 -87.8 12.4 -12.9 -18.2 34.3 218 467 A E S < S- 0 0 73 -3,-2.3 5,-0.0 1,-0.1 0, 0.0 -0.728 94.2 -90.6 -93.6 152.8 -16.2 -16.5 34.8 219 468 A N >> - 0 0 95 -2,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.431 40.2-119.4 -55.4 136.5 -19.4 -18.5 34.8 220 469 A P H 3> S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.852 113.2 55.5 -54.3 -36.5 -20.7 -18.6 31.2 221 470 A L H 3> S+ 0 0 138 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.910 110.1 45.6 -62.3 -41.7 -23.9 -16.9 32.2 222 471 A R H <> S+ 0 0 115 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.929 107.8 56.6 -68.3 -40.6 -22.0 -14.0 33.7 223 472 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.905 103.6 55.2 -58.0 -40.6 -19.6 -13.8 30.6 224 473 A L H X S+ 0 0 26 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.921 109.3 46.0 -60.3 -43.0 -22.5 -13.3 28.4 225 474 A Y H X S+ 0 0 138 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.922 114.1 49.3 -62.2 -44.7 -23.7 -10.3 30.5 226 475 A L H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 5,-0.5 0.882 109.3 51.4 -65.2 -40.5 -20.1 -9.0 30.6 227 476 A I H X S+ 0 0 8 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.939 112.9 45.9 -59.4 -46.7 -19.8 -9.3 26.8 228 477 A A H < S+ 0 0 28 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.801 121.3 36.8 -69.3 -29.7 -23.0 -7.4 26.3 229 478 A T H < S+ 0 0 76 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.702 121.8 41.1-100.5 -22.9 -22.2 -4.6 28.7 230 479 A N H < S- 0 0 93 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.761 85.1-172.9 -90.9 -32.0 -18.5 -4.2 28.2 231 480 A G < + 0 0 5 -4,-1.8 -1,-0.2 -5,-0.5 -2,-0.1 -0.552 57.8 35.2 76.2-134.1 -18.5 -4.5 24.4 232 481 A T S S- 0 0 61 -2,-0.3 22,-0.1 1,-0.1 18,-0.0 -0.362 90.9-124.6 -58.3 118.9 -15.1 -4.7 22.6 233 482 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.300 18.2-124.8 -72.1 154.9 -12.8 -6.6 25.0 234 483 A E - 0 0 172 2,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.757 16.7-129.1-103.7 138.3 -9.6 -5.2 26.2 235 484 A L - 0 0 36 -2,-0.3 -29,-0.0 1,-0.1 -1,-0.0 -0.566 12.1-131.2 -79.5 154.4 -6.2 -6.8 25.8 236 485 A Q S S+ 0 0 143 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.918 101.9 16.3 -67.0 -47.5 -3.8 -7.3 28.7 237 486 A N > + 0 0 74 1,-0.1 3,-1.8 2,-0.0 4,-0.2 -0.536 66.4 164.7-131.4 75.3 -0.8 -5.9 26.8 238 487 A P G > S+ 0 0 53 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.766 73.5 65.7 -61.6 -34.7 -1.9 -3.9 23.7 239 488 A E G 3 S+ 0 0 116 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.607 90.2 65.2 -62.0 -26.5 1.5 -2.3 23.3 240 489 A K G < S+ 0 0 158 -3,-1.8 -1,-0.3 2,-0.1 2,-0.2 0.567 91.0 82.0 -73.2 -13.5 3.1 -5.6 22.6 241 490 A L S < S- 0 0 19 -3,-1.7 2,-0.0 -4,-0.2 -32,-0.0 -0.648 87.0-105.9 -93.6 151.0 1.1 -6.0 19.4 242 491 A S > - 0 0 40 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.356 30.2-115.6 -66.2 154.9 1.9 -4.4 16.0 243 492 A A H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 116.5 51.6 -58.9 -39.4 -0.2 -1.4 14.9 244 493 A I H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.857 109.4 48.9 -70.6 -33.0 -1.6 -3.5 12.0 245 494 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 110.2 51.3 -69.8 -45.3 -2.6 -6.4 14.2 246 495 A R H X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.902 110.8 49.6 -56.3 -39.6 -4.3 -4.1 16.6 247 496 A D H X S+ 0 0 57 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.912 109.2 50.9 -66.6 -43.5 -6.2 -2.6 13.7 248 497 A F H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.937 111.4 48.8 -57.8 -45.0 -7.2 -6.0 12.4 249 498 A L H X S+ 0 0 9 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.906 108.1 53.6 -62.2 -42.7 -8.5 -6.9 15.9 250 499 A N H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 108.2 51.2 -59.4 -36.2 -10.5 -3.6 16.1 251 500 A R H < S+ 0 0 123 -4,-1.8 10,-2.3 1,-0.2 3,-0.4 0.819 111.9 45.4 -73.8 -30.6 -12.2 -4.5 12.8 252 501 A C H < S+ 0 0 0 -4,-1.5 -50,-0.3 -3,-0.2 -1,-0.2 0.777 118.1 44.2 -76.7 -34.3 -13.2 -8.0 14.0 253 502 A L S < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.102 75.5 140.3-102.8 17.6 -14.4 -6.7 17.3 254 503 A E - 0 0 60 -3,-0.4 6,-0.1 -4,-0.2 -3,-0.1 -0.377 46.1-145.8 -58.4 134.6 -16.3 -3.7 16.4 255 504 A M S S+ 0 0 74 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.862 85.0 75.9 -69.6 -38.6 -19.6 -3.2 18.4 256 505 A D S >> S- 0 0 73 1,-0.2 4,-2.0 2,-0.0 3,-0.9 -0.687 74.5-153.6 -80.4 112.1 -21.4 -1.7 15.5 257 506 A V T 34 S+ 0 0 53 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.1 0.858 93.6 55.7 -60.2 -36.9 -22.2 -4.6 13.2 258 507 A E T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.851 112.3 43.4 -63.1 -33.4 -22.3 -2.3 10.2 259 508 A K T <4 S+ 0 0 141 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.756 91.6 100.3 -82.6 -28.9 -18.8 -1.1 11.0 260 509 A R S < S- 0 0 0 -4,-2.0 -8,-0.2 -6,-0.1 -9,-0.1 -0.309 85.7-101.9 -57.1 140.4 -17.5 -4.6 11.8 261 510 A G - 0 0 5 -10,-2.3 2,-0.2 -63,-0.1 -1,-0.1 -0.317 27.5-134.9 -64.2 150.8 -15.5 -6.1 8.9 262 511 A S > - 0 0 30 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.549 29.3-107.1 -94.3 166.5 -17.1 -8.7 6.6 263 512 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -134,-0.2 0.924 121.3 53.0 -61.8 -40.6 -15.0 -11.8 5.7 264 513 A K H 4 S+ 0 0 142 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.897 111.8 44.8 -61.0 -41.7 -14.5 -10.5 2.2 265 514 A E H >4 S+ 0 0 117 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.903 111.7 52.7 -67.9 -42.3 -13.3 -7.1 3.5 266 515 A L H >< S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.3 6,-0.2 0.771 94.8 68.6 -65.6 -31.4 -11.0 -8.7 6.0 267 516 A I T 3< S+ 0 0 38 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.731 100.4 51.3 -58.2 -26.8 -9.3 -11.0 3.5 268 517 A Q T < S+ 0 0 134 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.450 82.9 125.4 -88.4 -1.9 -7.8 -7.8 2.0 269 518 A H X> - 0 0 20 -3,-1.8 3,-1.1 1,-0.1 4,-0.5 -0.305 64.6-132.8 -65.5 141.0 -6.5 -6.6 5.4 270 519 A Q G >4 S+ 0 0 137 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.734 100.9 71.6 -68.7 -21.3 -2.7 -5.8 5.5 271 520 A F G >4 S+ 0 0 0 -27,-0.3 3,-1.7 1,-0.2 -1,-0.3 0.908 93.5 56.1 -55.0 -40.1 -2.3 -7.8 8.7 272 521 A L G X4 S+ 0 0 9 -3,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.778 93.5 69.6 -67.6 -20.9 -2.8 -11.0 6.7 273 522 A K G << S+ 0 0 145 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.576 89.5 62.0 -74.9 -8.3 0.1 -10.0 4.4 274 523 A I G < S+ 0 0 71 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.426 77.8 134.5 -90.5 2.5 2.6 -10.6 7.2 275 524 A A < - 0 0 26 -3,-1.5 -159,-0.2 -157,-0.2 -160,-0.1 -0.209 50.1-138.8 -56.3 133.9 1.5 -14.3 7.3 276 525 A K - 0 0 87 -161,-1.7 -1,-0.1 1,-0.2 5,-0.1 -0.447 41.2 -77.5 -77.0 162.8 4.4 -16.8 7.5 277 526 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.368 44.9-115.3 -57.1 148.3 4.1 -20.0 5.4 278 527 A L G > S+ 0 0 40 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.803 113.1 68.5 -60.7 -29.6 1.7 -22.5 7.0 279 528 A S G > S+ 0 0 79 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.686 81.1 77.2 -65.7 -13.9 4.6 -24.9 7.5 280 529 A S G < S+ 0 0 27 -3,-2.0 4,-0.4 1,-0.2 -1,-0.3 0.736 88.1 60.2 -63.6 -20.5 5.9 -22.4 10.1 281 530 A L G X> S+ 0 0 6 -3,-2.2 4,-2.5 -4,-0.2 3,-0.5 0.672 80.0 89.0 -79.4 -15.8 3.2 -23.8 12.4 282 531 A T H <> S+ 0 0 44 -3,-1.3 4,-2.5 -4,-0.3 5,-0.2 0.874 84.0 50.5 -56.2 -44.5 4.6 -27.3 12.3 283 532 A P H 3> S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.874 113.2 46.8 -62.1 -36.8 7.0 -27.0 15.3 284 533 A L H <> S+ 0 0 28 -3,-0.5 4,-2.9 -4,-0.4 5,-0.2 0.906 111.9 50.8 -68.3 -42.5 4.2 -25.6 17.5 285 534 A I H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.912 111.4 48.1 -61.8 -40.4 1.8 -28.3 16.4 286 535 A A H X S+ 0 0 45 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.912 112.6 48.3 -67.0 -44.7 4.4 -31.0 17.2 287 536 A A H X S+ 0 0 48 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.915 112.5 47.8 -63.3 -42.1 5.1 -29.5 20.6 288 537 A A H X S+ 0 0 2 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.862 110.3 52.2 -63.7 -40.7 1.4 -29.2 21.4 289 538 A K H X S+ 0 0 96 -4,-2.1 4,-0.7 -5,-0.2 -2,-0.2 0.947 110.9 47.4 -63.5 -42.6 0.8 -32.7 20.4 290 539 A E H >< S+ 0 0 149 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.930 111.0 52.1 -63.8 -41.3 3.6 -33.9 22.5 291 540 A A H 3< S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 110.7 47.0 -63.3 -38.9 2.3 -31.9 25.5 292 541 A T H 3< 0 0 50 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.421 360.0 360.0 -87.1 -5.1 -1.1 -33.3 25.1 293 542 A K << 0 0 218 -3,-1.0 -3,-0.1 -4,-0.7 -4,-0.1 -0.671 360.0 360.0 159.9 360.0 0.2 -36.9 24.9