==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-NOV-05 2EXE . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE CLK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.PAPAGRIGORIOU,P.RELLOS,S.DAS,A.BULLOCK,L.J.BALL,A.TURNBULL . 262 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 0 0 1 1 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 198 A A 0 0 149 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 54.3 -1.9 34.9 11.0 2 199 A R > + 0 0 67 1,-0.2 4,-0.8 2,-0.1 106,-0.0 -0.318 360.0 121.9 -94.9 46.8 -1.9 31.6 9.2 3 200 A L H > S+ 0 0 72 -2,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.386 70.8 71.4 -74.6 -5.5 1.2 30.3 11.1 4 201 A E H > S+ 0 0 62 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.919 89.5 54.2 -64.3 -54.9 -1.6 27.8 11.8 5 202 A I H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 106.7 54.9 -44.8 -44.6 -1.3 26.6 8.2 6 203 A N H X S+ 0 0 93 -4,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.953 108.1 45.2 -56.2 -55.3 2.4 26.2 9.1 7 204 A V H X S+ 0 0 7 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.908 112.4 52.9 -54.2 -45.9 1.8 23.9 12.1 8 205 A L H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.896 111.1 46.3 -59.0 -42.1 -0.8 21.9 10.0 9 206 A K H X S+ 0 0 41 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.880 112.2 49.9 -67.1 -39.9 1.8 21.4 7.3 10 207 A K H < S+ 0 0 66 -4,-2.6 4,-0.4 -5,-0.2 -2,-0.2 0.878 113.3 48.2 -67.2 -35.1 4.5 20.4 9.8 11 208 A I H >< S+ 0 0 3 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.897 106.2 55.4 -68.6 -46.2 2.0 17.9 11.4 12 209 A K H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 100.6 61.1 -54.6 -40.0 0.9 16.3 8.1 13 210 A E T 3< 0 0 113 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.681 360.0 360.0 -66.0 -22.1 4.6 15.5 7.3 14 211 A K < 0 0 94 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.882 360.0 360.0 -92.2 360.0 4.9 13.3 10.3 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 217 A F 0 0 87 0, 0.0 4,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 49.2 -2.4 11.4 13.0 17 218 A L + 0 0 51 39,-0.2 87,-2.2 2,-0.1 2,-0.3 -0.219 360.0 117.5 -90.5 40.1 -6.0 11.4 14.5 18 219 A C B S-a 104 0A 11 85,-0.2 2,-1.0 42,-0.1 87,-0.2 -0.783 77.2-115.3-106.3 149.6 -6.0 15.1 13.9 19 220 A V + 0 0 16 85,-2.4 2,-0.2 -2,-0.3 88,-0.2 -0.812 53.6 175.4 -79.3 104.6 -8.3 17.1 11.6 20 221 A L - 0 0 35 -2,-1.0 7,-0.6 -4,-0.1 -11,-0.1 -0.685 27.5 -75.2-113.8 170.2 -5.7 18.3 9.1 21 222 A M B -D 26 0B 45 -2,-0.2 5,-0.2 1,-0.1 -1,-0.1 -0.220 21.5-178.7 -64.9 143.7 -5.6 20.3 5.9 22 223 A S 0 0 112 3,-1.2 4,-0.2 1,-0.4 -1,-0.1 0.727 360.0 360.0 -90.9 -52.8 -6.5 19.3 2.4 23 224 A D 0 0 96 2,-1.2 -1,-0.4 0, 0.0 0, 0.0 -0.985 360.0 360.0-151.1 360.0 -5.5 22.8 1.2 24 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 25 235 A A 0 0 107 0, 0.0 -2,-1.2 0, 0.0 -3,-1.2 0.000 360.0 360.0 360.0 173.2 -10.5 24.3 5.1 26 236 A F B -D 21 0B 94 -5,-0.2 -5,-0.1 -4,-0.2 2,-0.1 -0.628 360.0 -23.2-153.1-164.3 -10.5 20.5 5.5 27 237 A E - 0 0 71 -7,-0.6 2,-0.3 -2,-0.2 -1,-0.1 -0.366 56.0-128.6 -63.2 139.8 -12.8 17.4 5.9 28 238 A L + 0 0 102 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.732 33.7 177.0 -87.1 140.7 -16.3 17.8 7.4 29 239 A L - 0 0 54 -2,-0.3 53,-0.2 1,-0.3 54,-0.2 -0.654 30.9 -74.7-130.3-175.1 -17.1 15.5 10.3 30 240 A G - 0 0 22 51,-1.6 -1,-0.3 52,-0.3 53,-0.1 0.123 69.6 -55.0 -71.0-169.7 -19.9 14.9 12.8 31 241 A K - 0 0 15 49,-0.1 50,-1.8 1,-0.1 -1,-0.2 -0.299 61.5-104.5 -67.9 154.5 -20.9 17.0 15.8 32 242 A N B > -B 80 0A 16 48,-0.2 4,-2.3 -3,-0.1 3,-0.3 -0.405 33.3-103.0 -81.8 162.2 -18.3 17.7 18.4 33 243 A T H > S+ 0 0 0 46,-2.6 4,-1.0 43,-0.7 44,-0.2 0.705 121.9 48.8 -66.8 -18.9 -18.4 15.9 21.8 34 244 A F H > S+ 0 0 72 42,-0.9 4,-2.8 45,-0.3 -1,-0.3 0.867 107.8 52.6 -81.6 -42.5 -19.9 18.9 23.5 35 245 A E H > S+ 0 0 82 -3,-0.3 4,-3.7 1,-0.2 -2,-0.2 0.927 111.0 49.6 -54.0 -47.6 -22.7 19.5 20.9 36 246 A F H < S+ 0 0 11 -4,-2.3 -1,-0.2 2,-0.2 6,-0.2 0.901 109.8 50.8 -58.0 -44.8 -23.6 15.8 21.4 37 247 A L H ><>S+ 0 0 1 -4,-1.0 5,-3.2 -5,-0.3 3,-1.3 0.944 114.5 42.3 -57.8 -50.8 -23.6 16.3 25.2 38 248 A K H ><5S+ 0 0 82 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.943 110.5 56.6 -63.2 -47.9 -25.9 19.3 24.9 39 249 A E T 3<5S+ 0 0 121 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.344 111.6 46.4 -65.2 8.6 -28.0 17.5 22.3 40 250 A N T X 5S- 0 0 5 -3,-1.3 3,-1.7 -5,-0.1 -1,-0.3 -0.044 122.1 -99.1-140.6 31.8 -28.5 14.8 25.0 41 251 A N T < 5 - 0 0 132 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.650 69.9 -71.7 62.4 21.3 -29.3 16.8 28.1 42 252 A F T 3 > - 0 0 58 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.472 35.6-104.2 -70.8 151.5 -21.1 5.5 28.9 47 257 A L H 3> S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.745 117.7 56.7 -51.2 -39.4 -17.8 4.2 30.2 48 258 A P H 3> S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.921 110.5 45.5 -61.4 -39.7 -16.9 2.2 27.1 49 259 A H H <> S+ 0 0 36 -3,-1.2 4,-2.8 2,-0.2 5,-0.2 0.925 112.3 51.6 -63.1 -45.3 -17.2 5.3 24.9 50 260 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.880 109.8 50.9 -58.6 -39.9 -15.2 7.3 27.4 51 261 A R H X S+ 0 0 21 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.936 112.3 44.0 -64.4 -49.7 -12.5 4.6 27.3 52 262 A H H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.890 115.3 49.1 -64.4 -40.2 -12.2 4.6 23.5 53 263 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.915 111.2 50.1 -64.0 -44.0 -12.3 8.4 23.3 54 264 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.918 109.6 51.5 -57.7 -47.1 -9.6 8.6 26.0 55 265 A Y H X S+ 0 0 72 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.944 111.8 46.2 -55.7 -52.6 -7.5 6.1 24.1 56 266 A Q H X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.875 112.8 50.2 -58.7 -43.1 -7.7 8.1 20.9 57 267 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.924 111.1 48.1 -61.0 -50.0 -7.1 11.5 22.7 58 268 A C H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.896 114.7 46.4 -59.7 -41.5 -4.0 10.1 24.4 59 269 A H H X S+ 0 0 46 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.949 111.8 51.4 -63.6 -48.5 -2.7 8.7 21.1 60 270 A A H X S+ 0 0 1 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.914 117.9 36.4 -55.6 -46.6 -3.5 11.9 19.2 61 271 A L H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.788 106.6 63.9 -86.6 -25.9 -1.6 14.2 21.7 62 272 A R H X S+ 0 0 76 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.880 102.8 54.9 -58.8 -36.1 1.2 11.8 22.5 63 273 A F H < S+ 0 0 36 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.945 111.7 40.5 -61.4 -50.6 2.0 12.3 18.8 64 274 A L H ><>S+ 0 0 2 -4,-1.1 5,-1.9 1,-0.2 3,-1.4 0.927 114.4 54.3 -60.4 -45.4 2.2 16.1 19.1 65 275 A H H ><5S+ 0 0 33 -4,-3.2 3,-0.7 1,-0.3 -2,-0.2 0.758 106.2 50.4 -64.7 -32.0 4.0 15.8 22.4 66 276 A E T 3<5S+ 0 0 127 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.485 108.7 55.6 -83.9 -2.6 6.7 13.6 21.0 67 277 A N T < 5S- 0 0 68 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 -0.196 124.1 -95.3-121.0 37.7 7.2 16.1 18.1 68 278 A Q T < 5S+ 0 0 109 -3,-0.7 45,-2.2 1,-0.2 2,-0.4 0.734 85.4 123.4 62.0 32.3 7.9 19.2 20.2 69 279 A L E < -E 112 0C 6 -5,-1.9 2,-0.4 43,-0.2 43,-0.2 -0.956 41.1-169.7-129.9 138.8 4.3 20.5 20.2 70 280 A T E -E 111 0C 0 41,-2.0 41,-2.8 -2,-0.4 69,-0.1 -0.995 12.8-154.6-121.8 134.3 1.6 21.4 22.8 71 281 A H - 0 0 0 -2,-0.4 38,-0.2 39,-0.2 -1,-0.1 0.936 15.8-172.0 -72.1 -50.7 -2.0 22.0 21.6 72 282 A T + 0 0 2 67,-0.1 50,-0.2 38,-0.1 51,-0.1 0.141 67.4 66.4 79.1 -17.2 -3.0 24.3 24.5 73 283 A D + 0 0 20 49,-0.2 2,-0.3 33,-0.2 5,-0.1 -0.119 59.2 149.1-131.1 40.9 -6.7 24.5 23.7 74 284 A L + 0 0 1 52,-0.1 49,-0.2 3,-0.1 32,-0.0 -0.566 16.0 139.1 -72.4 136.2 -8.1 21.1 24.2 75 285 A K > - 0 0 26 -2,-0.3 3,-1.8 47,-0.1 4,-0.4 -0.933 68.1 -91.8-167.9 162.2 -11.8 21.1 25.2 76 286 A P G > S+ 0 0 2 0, 0.0 -42,-0.9 0, 0.0 3,-0.7 0.738 122.2 62.8 -56.5 -22.9 -14.8 19.0 24.3 77 287 A E G 3 S+ 0 0 106 1,-0.2 -45,-0.1 -44,-0.2 -42,-0.1 0.724 102.2 49.4 -75.2 -26.5 -15.7 21.5 21.6 78 288 A N G < S+ 0 0 12 -3,-1.8 27,-2.9 -5,-0.1 2,-0.6 0.355 92.3 86.9 -95.8 1.4 -12.4 20.7 19.7 79 289 A I E < - C 0 104A 0 -3,-0.7 -46,-2.6 -4,-0.4 2,-0.4 -0.934 67.0-162.2-102.9 118.5 -12.9 16.9 19.8 80 290 A L E -BC 32 103A 36 23,-3.3 23,-2.3 -2,-0.6 2,-0.3 -0.864 17.8-132.8-108.5 128.7 -15.0 15.8 16.8 81 291 A F E - C 0 102A 0 -50,-1.8 -51,-1.6 -2,-0.4 3,-0.3 -0.590 16.8-139.9 -66.3 134.4 -16.9 12.6 16.2 82 292 A V E S+ 0 0 56 19,-1.9 2,-0.4 1,-0.3 -52,-0.3 0.915 97.1 9.7 -63.2 -43.3 -16.1 11.3 12.7 83 293 A N E - C 0 99A 36 16,-0.5 16,-0.7 18,-0.4 -1,-0.3 -0.932 66.8-170.7-135.4 114.4 -19.7 10.3 12.5 84 294 A S E + 0 0 29 -2,-0.4 2,-0.1 -3,-0.3 -2,-0.0 0.278 38.5 139.0 -90.0 11.2 -22.1 11.6 15.2 85 295 A E E - 0 0 154 12,-0.1 13,-3.5 1,-0.1 14,-0.4 -0.383 38.7-161.6 -51.1 127.3 -25.0 9.4 14.0 86 296 A F E - C 0 97A 108 11,-0.3 2,-0.5 12,-0.1 11,-0.3 -0.731 24.6-136.3-121.7 164.0 -26.6 8.0 17.2 87 297 A E - 0 0 61 9,-3.0 9,-0.1 -2,-0.2 7,-0.1 -0.872 25.8-145.8-123.2 93.4 -28.9 5.2 18.3 88 298 A T - 0 0 92 -2,-0.5 2,-0.3 7,-0.2 7,-0.2 -0.250 19.4-175.6 -57.4 144.0 -31.5 6.5 20.8 89 299 A L B -F 94 0D 49 5,-2.4 5,-2.2 2,-0.0 2,-0.1 -0.969 16.5-132.9-151.0 130.3 -32.5 4.0 23.5 90 300 A Y 0 0 109 -2,-0.3 5,-0.0 3,-0.2 0, 0.0 -0.443 360.0 360.0 -87.5 154.6 -35.2 4.2 26.2 91 301 A N 0 0 184 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.874 360.0 360.0-162.8 360.0 -34.8 3.4 29.9 92 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 93 307 A E 0 0 91 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 132.1 -34.4 8.4 26.6 94 308 A E B -F 89 0D 100 -5,-2.2 -5,-2.4 -7,-0.1 2,-0.4 -0.892 360.0-134.5-117.1 151.9 -30.6 8.6 26.1 95 309 A K - 0 0 62 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.833 16.6-171.0-104.9 143.2 -28.6 8.9 22.9 96 310 A S - 0 0 41 -2,-0.4 -9,-3.0 -9,-0.1 -51,-0.0 -0.981 25.7-119.5-136.2 124.6 -25.5 6.9 22.2 97 311 A V E - C 0 86A 6 -2,-0.4 -11,-0.3 -11,-0.3 3,-0.2 -0.241 12.9-140.9 -63.4 146.6 -23.2 7.6 19.2 98 312 A K E S+ 0 0 78 -13,-3.5 2,-0.6 1,-0.3 -12,-0.1 0.981 91.0 28.5 -73.9 -60.6 -22.8 4.8 16.6 99 313 A N E - C 0 83A 78 -16,-0.7 -16,-0.5 -14,-0.4 -1,-0.3 -0.925 67.3-165.4-107.1 116.0 -19.1 5.2 15.8 100 314 A T E + 0 0 13 -2,-0.6 2,-0.2 -3,-0.2 -1,-0.1 0.183 45.5 127.4 -91.3 16.6 -17.2 6.5 18.8 101 315 A S E - 0 0 32 -18,-0.1 -19,-1.9 -45,-0.0 -18,-0.4 -0.514 40.5-168.7 -67.7 141.6 -14.0 7.4 16.8 102 316 A I E - C 0 81A 3 -21,-0.2 2,-0.4 -2,-0.2 -21,-0.2 -0.888 18.3-149.5-134.3 161.0 -12.9 11.0 17.2 103 317 A R E - C 0 80A 50 -23,-2.3 -23,-3.3 -2,-0.3 2,-0.4 -0.992 19.4-129.0-130.6 141.8 -10.5 13.6 15.8 104 318 A V E -aC 18 79A 3 -87,-2.2 -85,-2.4 -2,-0.4 -25,-0.2 -0.770 35.3-176.1 -89.2 130.6 -8.7 16.5 17.6 105 319 A A + 0 0 15 -27,-2.9 -27,-0.1 -2,-0.4 -85,-0.1 -0.569 38.3 54.4-120.7 177.4 -9.1 19.9 15.9 106 320 A D > + 0 0 68 -87,-0.2 3,-0.5 -2,-0.2 -33,-0.2 0.972 36.6 175.1 63.3 75.6 -8.0 23.5 16.1 107 321 A F G > + 0 0 3 1,-0.2 3,-0.7 -88,-0.2 -1,-0.1 0.197 47.3 114.8 -91.6 15.5 -4.3 23.8 16.0 108 322 A G G 3 S+ 0 0 39 1,-0.2 -1,-0.2 -35,-0.1 -105,-0.1 0.716 85.5 35.2 -54.1 -25.9 -4.5 27.6 15.9 109 323 A S G < S+ 0 0 56 -3,-0.5 -1,-0.2 -38,-0.2 -2,-0.1 0.495 83.0 133.6-108.1 -9.6 -2.9 27.8 19.3 110 324 A A < - 0 0 5 -3,-0.7 2,-0.4 -4,-0.1 -39,-0.2 -0.199 40.8-158.0 -49.6 124.7 -0.5 24.8 19.0 111 325 A T E -E 70 0C 13 -41,-2.8 -41,-2.0 4,-0.1 2,-0.2 -0.911 8.7-135.9-115.3 131.8 3.0 26.0 20.3 112 326 A F E > -E 69 0C 27 -2,-0.4 3,-1.9 -43,-0.2 -43,-0.2 -0.583 28.8-112.2 -79.6 149.2 6.4 24.5 19.5 113 327 A D T 3 S+ 0 0 75 -45,-2.2 -1,-0.1 1,-0.3 -44,-0.1 0.865 118.8 46.6 -42.0 -49.3 8.9 23.9 22.3 114 328 A H T 3 S+ 0 0 151 -46,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.524 95.2 97.3 -77.9 -12.0 11.2 26.6 20.8 115 329 A E S < S- 0 0 72 -3,-1.9 2,-0.1 1,-0.1 -4,-0.1 -0.444 89.6 -89.7 -74.4 156.1 8.4 29.2 20.3 116 330 A H - 0 0 154 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.442 43.1-139.5 -57.2 131.7 7.6 32.0 22.6 117 331 A H - 0 0 49 -2,-0.1 -1,-0.1 -4,-0.1 2,-0.1 -0.897 9.2-133.7-101.2 122.8 5.0 30.8 25.2 118 332 A T - 0 0 70 -2,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.403 20.3-123.0 -69.1 151.1 2.2 33.2 26.1 119 333 A T S S+ 0 0 73 1,-0.2 2,-0.5 -2,-0.1 17,-0.2 0.941 95.9 42.0 -63.3 -47.1 1.7 33.4 29.9 120 334 A I S S+ 0 0 74 14,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.900 70.9 155.0-111.3 122.9 -2.0 32.4 29.8 121 335 A V + 0 0 16 -2,-0.5 -48,-0.1 2,-0.1 -49,-0.1 -0.857 32.0 49.1-135.4 173.5 -3.2 29.7 27.5 122 336 A A S S- 0 0 13 -2,-0.3 2,-0.2 -50,-0.2 -49,-0.2 0.327 87.8 -73.9 72.7 152.2 -6.2 27.2 27.4 123 337 A T > - 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0 0 27 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.260 62.9 -29.0 95.7 171.0 -6.4 18.2 47.7 178 392 A P - 0 0 106 0, 0.0 63,-0.1 0, 0.0 3,-0.1 -0.170 67.7-101.9 -62.5 149.4 -4.1 21.1 48.6 179 393 A I - 0 0 7 1,-0.1 5,-0.1 -10,-0.1 -2,-0.0 -0.483 50.7 -95.0 -64.1 133.1 -1.7 22.7 46.2 180 394 A P >> - 0 0 32 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.342 32.0-127.8 -50.6 130.9 1.8 21.4 46.8 181 395 A S H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.816 105.8 60.5 -54.9 -34.7 3.5 24.0 49.1 182 396 A H H 3> S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.879 102.7 51.6 -64.6 -36.0 6.6 24.3 46.7 183 397 A M H <> S+ 0 0 6 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.882 110.4 49.8 -63.3 -37.9 4.3 25.5 43.9 184 398 A I H < S+ 0 0 8 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.854 110.6 49.2 -69.7 -37.5 2.9 28.1 46.4 185 399 A H H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.791 113.1 49.4 -67.4 -27.6 6.4 29.2 47.3 186 400 A R H < S+ 0 0 205 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.792 89.4 91.8 -87.7 -28.1 7.4 29.5 43.7 187 401 A T < - 0 0 5 -4,-1.6 -53,-0.1 1,-0.1 -52,-0.1 -0.377 60.6-151.0 -72.2 142.6 4.5 31.5 42.3 188 402 A R S S+ 0 0 174 -55,-0.5 2,-2.0 1,-0.2 3,-0.3 0.534 81.9 92.5 -79.0 -13.1 4.6 35.3 42.0 189 403 A K > + 0 0 31 -56,-0.5 3,-1.2 1,-0.2 -1,-0.2 -0.369 45.0 146.0 -81.0 59.5 0.8 35.3 42.4 190 404 A Q G > + 0 0 92 -2,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.691 50.7 81.3 -75.8 -19.4 1.0 35.7 46.2 191 405 A K G 3 S+ 0 0 127 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.738 87.4 60.1 -56.1 -23.6 -2.2 37.8 46.4 192 406 A Y G < S+ 0 0 7 -3,-1.2 7,-2.8 6,-0.1 -1,-0.3 0.650 104.8 59.2 -76.0 -16.2 -4.1 34.5 46.3 193 407 A F E < -G 198 0E 17 -3,-2.1 2,-0.3 5,-0.2 5,-0.2 -0.757 50.4-173.1-120.8 157.0 -2.5 33.2 49.4 194 408 A Y E > S-G 197 0E 189 3,-2.2 3,-2.4 -2,-0.3 -3,-0.0 -0.907 84.2 -20.0-144.4 122.5 -1.9 33.8 53.1 195 409 A K T 3 S- 0 0 98 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 0.895 130.5 -49.6 46.8 44.3 0.4 31.7 55.2 196 410 A G T 3 S+ 0 0 47 1,-0.2 2,-0.4 -12,-0.1 -1,-0.3 0.407 118.0 112.5 82.0 -0.2 0.1 29.0 52.6 197 411 A G E < S-G 194 0E 33 -3,-2.4 -3,-2.2 -19,-0.0 2,-0.3 -0.851 73.4-108.4-114.1 141.4 -3.7 29.1 52.4 198 412 A L E -G 193 0E 26 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.472 33.6-122.6 -67.4 125.4 -6.0 30.2 49.7 199 413 A V + 0 0 70 -7,-2.8 2,-0.3 -2,-0.3 -1,-0.1 -0.584 52.7 153.8 -71.6 112.9 -7.7 33.5 50.6 200 414 A W - 0 0 55 -2,-0.6 2,-0.9 -30,-0.0 3,-0.1 -0.966 45.1-145.5-154.7 126.2 -11.4 32.7 50.3 201 415 A D > - 0 0 99 -2,-0.3 3,-1.3 1,-0.2 6,-0.4 -0.830 13.9-169.4 -92.9 106.8 -14.7 33.8 51.8 202 416 A E T 3 S+ 0 0 123 -2,-0.9 9,-0.2 1,-0.3 -1,-0.2 0.674 84.6 61.5 -69.1 -19.0 -16.8 30.6 52.1 203 417 A N T 3 S+ 0 0 123 4,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.535 82.6 101.8 -84.9 -8.7 -19.8 32.7 52.8 204 418 A S S <> S- 0 0 39 -3,-1.3 4,-2.7 1,-0.1 5,-0.2 -0.338 91.7-104.6 -66.1 156.9 -19.7 34.5 49.4 205 419 A S H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.925 125.5 43.9 -48.7 -48.3 -22.1 33.3 46.7 206 420 A D H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.873 110.6 55.2 -64.9 -37.8 -19.2 31.5 44.9 207 421 A G H > S+ 0 0 2 -6,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.870 109.3 48.2 -61.5 -37.7 -18.0 30.2 48.2 208 422 A R H X S+ 0 0 121 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.851 108.7 53.2 -69.3 -38.1 -21.5 28.8 48.7 209 423 A Y H X S+ 0 0 97 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.948 111.0 46.4 -61.1 -47.7 -21.5 27.2 45.3 210 424 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.875 111.4 50.8 -66.1 -40.8 -18.2 25.4 45.9 211 425 A K H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.926 118.9 37.9 -62.4 -46.1 -19.3 24.1 49.3 212 426 A E H < S+ 0 0 152 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.846 130.6 26.2 -72.9 -33.7 -22.5 22.8 47.9 213 427 A N H < S+ 0 0 80 -4,-2.6 2,-0.5 -5,-0.2 -3,-0.2 0.667 102.0 72.9-116.1 -20.8 -21.2 21.5 44.6 214 428 A C < + 0 0 8 -4,-2.2 -1,-0.1 -5,-0.3 -54,-0.0 -0.879 54.6 158.1-103.0 131.3 -17.5 20.6 44.7 215 429 A K - 0 0 84 -2,-0.5 5,-0.1 1,-0.0 -3,-0.0 -0.872 50.8 -57.1-143.3 169.6 -16.4 17.5 46.5 216 430 A P > - 0 0 83 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.280 55.0-116.5 -57.9 138.6 -13.4 15.1 46.5 217 431 A L G > S+ 0 0 12 -42,-2.9 3,-2.0 1,-0.3 4,-0.1 0.781 110.1 58.8 -44.1 -45.9 -12.8 13.6 43.0 218 432 A K G > S+ 0 0 87 1,-0.3 3,-2.0 -43,-0.2 -1,-0.3 0.814 93.2 68.4 -59.5 -31.7 -13.5 10.0 44.0 219 433 A S G < S+ 0 0 50 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.610 86.4 68.2 -67.0 -12.3 -17.0 10.9 45.2 220 434 A Y G < S+ 0 0 13 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.3 0.480 71.9 121.5 -81.9 -2.1 -18.0 11.6 41.5 221 435 A M < - 0 0 46 -3,-2.0 3,-0.1 1,-0.2 8,-0.0 -0.474 46.4-166.3 -63.7 123.8 -17.7 7.8 40.8 222 436 A L S S+ 0 0 97 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.915 71.3 22.2 -76.3 -48.7 -21.0 6.5 39.5 223 437 A Q - 0 0 64 2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.780 65.7-137.1-119.8 167.0 -20.3 2.8 39.9 224 438 A D + 0 0 138 -2,-0.3 5,-0.1 4,-0.1 -1,-0.0 0.338 58.8 125.7-105.8 1.8 -17.8 0.8 42.0 225 439 A S S >> S- 0 0 69 1,-0.1 4,-1.8 3,-0.1 3,-0.7 -0.163 75.8-105.2 -60.9 159.2 -16.6 -1.7 39.4 226 440 A L H 3> S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 119.2 57.7 -50.3 -45.5 -12.8 -2.1 38.7 227 441 A E H 3> S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.829 107.4 47.4 -61.0 -34.8 -13.1 -0.2 35.4 228 442 A H H <> S+ 0 0 23 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.871 110.6 51.9 -70.4 -40.5 -14.6 2.9 37.2 229 443 A V H X S+ 0 0 69 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.876 111.7 47.7 -62.7 -38.8 -11.9 2.7 39.9 230 444 A Q H X S+ 0 0 35 -4,-2.3 4,-2.7 2,-0.2 27,-0.2 0.887 106.5 55.4 -72.3 -42.6 -9.2 2.7 37.2 231 445 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.912 111.8 45.5 -53.7 -45.1 -10.7 5.6 35.2 232 446 A F H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.804 109.3 54.3 -72.3 -31.5 -10.5 7.6 38.3 233 447 A D H X S+ 0 0 53 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.907 112.8 44.4 -62.9 -43.3 -6.9 6.4 39.1 234 448 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.912 113.6 50.0 -68.0 -42.3 -6.0 7.6 35.6 235 449 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.925 108.0 52.6 -61.3 -44.1 -7.9 10.9 36.0 236 450 A R H < S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 109.8 49.4 -66.5 -28.7 -6.3 11.7 39.3 237 451 A R H >< S+ 0 0 82 -4,-1.3 10,-1.4 1,-0.2 3,-0.9 0.836 110.3 50.4 -75.7 -32.6 -2.8 11.2 37.7 238 452 A M H 3< S+ 0 0 0 -4,-1.8 -91,-0.2 1,-0.2 -2,-0.2 0.780 110.9 51.3 -71.6 -26.2 -3.8 13.5 34.8 239 453 A L T 3< S+ 0 0 3 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 -0.113 75.5 141.3-105.5 32.5 -4.9 16.1 37.4 240 454 A E < - 0 0 58 -3,-0.9 6,-0.1 1,-0.1 -3,-0.1 -0.598 52.4-136.6 -64.2 131.7 -1.7 16.1 39.4 241 455 A F S S+ 0 0 11 -2,-0.3 -111,-0.3 -65,-0.1 -1,-0.1 0.909 87.0 69.9 -57.3 -47.7 -1.0 19.7 40.5 242 456 A D >> - 0 0 23 1,-0.2 4,-1.7 -113,-0.1 3,-1.4 -0.670 69.2-156.1 -84.5 112.8 2.8 19.5 39.7 243 457 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.771 94.1 58.5 -59.1 -27.9 3.4 19.4 35.9 244 458 A A T 34 S+ 0 0 89 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.735 115.6 35.3 -70.5 -25.6 6.8 17.7 36.5 245 459 A Q T <4 S+ 0 0 98 -3,-1.4 -1,-0.2 2,-0.1 3,-0.1 0.586 93.0 110.6-103.0 -16.1 5.1 14.9 38.4 246 460 A R S < S- 0 0 9 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.282 80.2 -96.1 -59.9 143.8 1.9 14.7 36.3 247 461 A I - 0 0 2 -10,-1.4 2,-0.2 -13,-0.1 -1,-0.1 -0.264 35.2-130.9 -59.5 144.0 1.6 11.6 34.1 248 462 A T > - 0 0 62 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.564 21.5-114.3 -87.1 164.1 2.7 11.8 30.5 249 463 A L H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -187,-0.1 0.790 118.1 56.8 -71.9 -26.7 0.4 10.6 27.7 250 464 A A H > S+ 0 0 37 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.906 112.7 42.2 -62.9 -42.5 3.0 7.8 26.9 251 465 A E H >4 S+ 0 0 94 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.867 107.8 59.8 -70.5 -40.1 2.6 6.6 30.5 252 466 A A H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.819 100.1 56.3 -61.8 -33.8 -1.2 7.1 30.5 253 467 A L H 3< S+ 0 0 23 -4,-1.3 2,-0.6 1,-0.3 -1,-0.3 0.758 97.0 64.5 -70.9 -23.6 -1.5 4.6 27.7 254 468 A L T << S+ 0 0 154 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.1 -0.255 82.7 120.5 -89.1 46.1 0.3 2.0 29.8 255 469 A H S X S- 0 0 16 -2,-0.6 3,-1.8 -3,-0.5 4,-0.2 -0.925 73.6-127.2-115.6 135.2 -2.6 2.1 32.3 256 470 A P G > S+ 0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.673 100.9 79.1 -48.4 -23.1 -4.8 -0.9 33.3 257 471 A F G > S+ 0 0 1 1,-0.3 3,-1.0 -27,-0.2 -26,-0.1 0.836 86.6 57.6 -56.9 -34.7 -7.9 1.2 32.4 258 472 A F G X S+ 0 0 20 -3,-1.8 3,-1.7 1,-0.2 -1,-0.3 0.494 78.8 89.4 -81.2 -2.9 -7.3 0.5 28.7 259 473 A A G < S+ 0 0 87 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.806 79.6 65.1 -57.3 -30.5 -7.5 -3.3 29.2 260 474 A G G < S+ 0 0 41 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.498 78.7 111.7 -75.0 -4.7 -11.3 -2.9 28.6 261 475 A L S < S- 0 0 32 -3,-1.7 -3,-0.0 -210,-0.1 0, 0.0 -0.418 70.0-123.5 -66.0 142.3 -10.8 -1.8 25.0 262 476 A T - 0 0 67 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.378 24.9-116.2 -64.0 164.5 -11.9 -4.1 22.2 263 477 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.719 120.6 55.7 -78.8 -24.0 -9.1 -5.0 19.8 264 478 A E 0 0 97 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.907 360.0 360.0 -63.4 -42.4 -11.1 -3.2 17.1 265 479 A E 0 0 56 -164,-0.0 -4,-0.0 -210,-0.0 -213,-0.0 0.270 360.0 360.0 -65.5 360.0 -11.0 -0.2 19.5