==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAY-99 1QPE . COMPND 2 MOLECULE: LCK KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.ZHU,K.A.MORGENSTERN . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 0 1 1 0 1 0 1 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 . 1 2 1 1 1 0 0 2 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 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 1 231 A K 0 0 163 0, 0.0 5,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 157.5 0.8 27.9 90.5 2 232 A P >> - 0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.277 360.0-106.6 -62.2 152.9 2.1 26.6 93.7 3 233 A W T 34 S+ 0 0 149 1,-0.3 6,-0.3 2,-0.2 3,-0.3 0.813 118.1 59.7 -52.3 -35.4 5.8 25.5 93.5 4 234 A W T 34 S+ 0 0 171 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.728 114.6 36.0 -68.9 -20.2 4.9 21.7 93.5 5 235 A E T <4 S+ 0 0 120 -3,-1.8 -1,-0.2 0, 0.0 -2,-0.2 0.447 97.9 114.5-105.2 -8.5 2.8 22.2 90.4 6 236 A D < - 0 0 24 -4,-1.0 3,-0.1 -3,-0.3 -3,-0.0 -0.395 62.8-145.4 -67.2 143.3 5.2 24.7 88.9 7 237 A E S S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.624 98.0 49.8 -82.3 -10.2 7.2 24.1 85.7 8 238 A W S S+ 0 0 39 67,-0.1 68,-2.0 -5,-0.0 -1,-0.2 0.726 77.6 101.8-103.4 -26.8 10.1 26.1 87.2 9 239 A E B +a 76 0A 42 -6,-0.3 68,-0.2 66,-0.2 0, 0.0 -0.373 48.0 179.9 -60.6 144.0 10.8 24.9 90.7 10 240 A V - 0 0 15 66,-1.4 68,-0.1 -2,-0.0 2,-0.1 -0.990 34.7-101.9-149.2 139.0 13.8 22.7 90.8 11 241 A P > - 0 0 79 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.458 30.8-128.1 -60.7 137.9 15.6 20.9 93.7 12 242 A R G > S+ 0 0 66 1,-0.3 3,-1.8 2,-0.2 65,-0.0 0.781 104.4 72.5 -61.6 -22.4 18.7 22.8 94.7 13 243 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.664 81.8 71.4 -64.4 -20.6 20.7 19.6 94.4 14 244 A T G < S+ 0 0 22 -3,-1.8 21,-3.2 21,-0.1 22,-0.4 0.643 92.7 76.7 -71.2 -8.7 20.3 19.8 90.6 15 245 A L E < -B 34 0A 22 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.849 53.3-172.9-116.4 142.0 22.8 22.7 90.7 16 246 A K E -B 33 0A 147 17,-2.4 17,-2.4 -2,-0.4 2,-0.5 -0.979 18.2-147.8-128.4 115.5 26.5 23.2 91.1 17 247 A L E +B 32 0A 46 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.748 25.8 166.3 -83.3 120.8 27.8 26.7 91.5 18 248 A V E + 0 0 65 13,-2.3 2,-0.4 -2,-0.5 14,-0.2 0.812 56.3 17.4-106.7 -40.7 31.2 27.0 89.9 19 249 A E E -B 31 0A 101 12,-2.1 12,-2.8 0, 0.0 2,-0.4 -0.975 62.4-135.6-145.1 122.9 32.3 30.6 89.4 20 250 A R E +B 30 0A 137 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.647 23.6 176.9 -74.3 127.6 31.1 33.8 90.9 21 251 A L E + 0 0 84 8,-3.4 2,-0.3 -2,-0.4 9,-0.2 0.610 63.9 4.3-103.6 -23.8 30.8 36.3 88.1 22 252 A G E -B 29 0A 30 7,-1.8 7,-2.7 2,-0.0 -1,-0.4 -0.985 55.3-171.4-162.9 153.8 29.4 39.2 90.2 23 253 A A E +B 28 0A 67 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.988 18.0 146.1-152.4 138.7 28.4 40.2 93.6 24 254 A G E > -B 27 0A 51 3,-2.9 3,-0.8 -2,-0.3 -2,-0.0 -0.821 61.0 -61.1-152.1-165.1 26.6 43.2 95.1 25 255 A Q T 3 S+ 0 0 145 -2,-0.2 3,-0.1 1,-0.2 24,-0.0 0.764 127.6 40.4 -60.8 -34.9 24.2 44.4 97.8 26 256 A F T 3 S- 0 0 96 1,-0.2 20,-2.4 19,-0.1 2,-0.3 0.498 123.4 -68.2-100.7 1.6 21.3 42.1 96.8 27 257 A G E < -BC 24 45A 14 -3,-0.8 -3,-2.9 18,-0.3 2,-0.3 -0.994 53.8 -71.0 150.7-158.7 23.1 38.9 96.0 28 258 A E E -BC 23 44A 58 16,-1.6 16,-2.6 -2,-0.3 2,-0.4 -0.862 20.7-140.1-137.0 163.3 25.5 37.2 93.6 29 259 A V E -BC 22 43A 55 -7,-2.7 -8,-3.4 -2,-0.3 -7,-1.8 -0.998 27.8-179.0-128.1 124.6 25.6 35.9 90.0 30 260 A W E -BC 20 42A 56 12,-3.1 12,-3.1 -2,-0.4 2,-0.4 -0.873 30.0-129.7-124.8 155.2 27.4 32.6 89.3 31 261 A M E +BC 19 41A 13 -12,-2.8 -13,-2.3 -2,-0.3 -12,-2.1 -0.845 49.5 149.5 -94.6 136.7 28.1 30.4 86.4 32 262 A G E -BC 17 40A 0 8,-2.5 8,-2.2 -2,-0.4 2,-0.4 -0.855 42.1-103.1-153.5-172.4 27.1 26.9 87.3 33 263 A Y E -BC 16 39A 73 -17,-2.4 -17,-2.4 -2,-0.2 2,-0.5 -0.989 17.2-145.9-128.4 142.9 25.8 23.6 85.9 34 264 A Y E >> S-BC 15 38A 75 4,-2.7 4,-1.6 -2,-0.4 3,-0.5 -0.901 87.0 -10.7-105.6 126.1 22.3 22.1 86.1 35 265 A N T 34 S- 0 0 96 -21,-3.2 2,-1.7 -2,-0.5 -1,-0.2 0.907 121.3 -72.2 51.9 40.3 22.2 18.3 86.3 36 266 A G T 34 S+ 0 0 55 -22,-0.4 -1,-0.3 -3,-0.3 -21,-0.0 -0.180 128.7 52.6 75.9 -40.5 25.9 18.2 85.6 37 267 A H T <4 S+ 0 0 177 -2,-1.7 2,-0.6 -3,-0.5 -1,-0.2 0.627 83.0 82.4-107.3 -13.4 26.0 19.0 81.9 38 268 A T E < -C 34 0A 68 -4,-1.6 -4,-2.7 0, 0.0 2,-0.2 -0.845 67.4-138.4-105.2 116.8 24.0 22.2 81.3 39 269 A K E +C 33 0A 69 -2,-0.6 49,-0.5 -6,-0.2 2,-0.3 -0.475 33.7 167.0 -72.9 133.4 25.8 25.5 81.8 40 270 A V E -CD 32 87A 0 -8,-2.2 -8,-2.5 -2,-0.2 2,-0.4 -0.925 36.7-120.8-141.4 164.8 23.5 28.1 83.5 41 271 A A E -CD 31 86A 13 45,-2.4 45,-2.5 -2,-0.3 2,-0.5 -0.889 27.6-160.6-104.6 139.6 23.7 31.5 85.2 42 272 A V E -CD 30 85A 0 -12,-3.1 -12,-3.1 -2,-0.4 2,-0.6 -0.992 5.9-164.8-127.5 121.6 22.4 31.5 88.9 43 273 A K E -CD 29 84A 63 41,-2.6 41,-2.2 -2,-0.5 2,-0.4 -0.961 14.9-162.8-104.8 121.9 21.4 34.8 90.6 44 274 A S E -CD 28 83A 12 -16,-2.6 -16,-1.6 -2,-0.6 2,-0.4 -0.911 15.0-126.0-113.7 138.8 21.2 34.3 94.4 45 275 A L E -C 27 0A 4 37,-2.4 2,-0.8 -2,-0.4 -18,-0.3 -0.647 17.0-131.6 -84.5 128.3 19.4 36.6 96.8 46 276 A K > - 0 0 126 -20,-2.4 3,-2.2 -2,-0.4 4,-0.4 -0.695 38.2-114.3 -77.0 111.6 21.4 37.9 99.8 47 277 A Q T 3 S+ 0 0 65 -2,-0.8 4,-0.1 1,-0.3 -1,-0.1 -0.185 95.1 11.5 -52.1 133.1 19.0 37.1 102.6 48 278 A G T 3 S+ 0 0 81 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.230 99.2 100.3 82.4 -12.5 17.6 40.2 104.3 49 279 A S S < S- 0 0 32 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.720 98.7 -15.2 -75.6 -22.0 19.0 42.6 101.6 50 280 A M S S- 0 0 63 -4,-0.4 -2,-0.5 -24,-0.1 -1,-0.2 -0.966 91.5 -62.9-169.4 167.8 15.6 42.9 100.0 51 281 A S > - 0 0 60 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.451 32.7-140.4 -65.1 133.8 12.2 41.2 100.0 52 282 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.895 108.2 52.8 -62.0 -36.0 12.1 37.6 98.7 53 283 A D H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -2,-0.0 0.882 108.7 48.5 -65.3 -38.6 8.9 38.6 96.9 54 284 A A H > S+ 0 0 47 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.937 111.9 50.1 -66.8 -44.8 10.6 41.6 95.3 55 285 A F H >X S+ 0 0 6 -4,-2.8 3,-1.2 1,-0.2 4,-0.6 0.962 111.0 47.8 -58.2 -48.3 13.5 39.4 94.2 56 286 A L H 3X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.710 91.8 79.3 -68.8 -18.7 11.2 36.7 92.6 57 287 A A H 3X S+ 0 0 38 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.870 88.7 58.2 -59.0 -29.9 9.2 39.3 90.7 58 288 A E H < S+ 0 0 27 -4,-2.1 3,-1.0 -5,-0.2 4,-0.3 0.910 106.6 55.1 -65.2 -45.2 8.2 38.7 84.7 62 292 A M H >< S+ 0 0 7 -4,-2.0 3,-1.0 1,-0.2 11,-0.3 0.810 97.3 64.6 -60.4 -30.2 10.6 36.4 82.7 63 293 A K H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.874 106.6 43.9 -58.3 -35.1 7.9 33.7 82.7 64 294 A Q T << S+ 0 0 119 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.2 0.391 109.9 58.5 -90.8 -1.3 5.7 36.1 80.6 65 295 A L < + 0 0 5 -3,-1.0 2,-0.5 -4,-0.3 -1,-0.2 -0.621 64.4 156.1-131.8 77.6 8.5 37.2 78.2 66 296 A Q + 0 0 94 -2,-0.3 2,-0.3 -3,-0.2 5,-0.1 -0.909 14.0 129.4-110.3 127.0 10.0 34.2 76.4 67 297 A H > - 0 0 65 -2,-0.5 3,-2.1 3,-0.4 -2,-0.0 -0.948 66.2-105.6-166.7 154.1 11.7 34.8 73.1 68 298 A Q T 3 S+ 0 0 144 1,-0.3 4,-0.1 -2,-0.3 53,-0.1 0.770 119.5 53.7 -57.6 -27.6 15.0 33.8 71.4 69 299 A R T 3 S+ 0 0 31 51,-0.1 81,-2.8 80,-0.1 2,-0.4 0.304 99.0 71.3 -91.7 5.3 16.2 37.5 71.9 70 300 A L B < S-f 150 0B 1 -3,-2.1 -3,-0.4 79,-0.3 81,-0.2 -0.987 96.9 -99.7-122.2 139.3 15.5 37.7 75.6 71 301 A V - 0 0 8 79,-3.0 2,-0.4 -2,-0.4 -2,-0.1 -0.311 50.0-122.6 -56.0 129.8 17.6 35.9 78.2 72 302 A R - 0 0 114 -4,-0.1 15,-2.3 -6,-0.1 2,-0.2 -0.636 7.8-131.4 -89.8 131.9 15.6 32.8 79.1 73 303 A L E + E 0 86A 5 -2,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.518 27.5 173.6 -72.7 136.8 14.3 31.8 82.6 74 304 A Y E - 0 0 73 11,-3.0 2,-0.3 1,-0.4 12,-0.2 0.708 54.1 -33.6-109.4 -46.2 15.2 28.1 83.3 75 305 A A E - E 0 85A 5 10,-1.9 10,-3.2 2,-0.0 -1,-0.4 -0.979 44.3-134.9-164.4 176.8 14.2 27.6 86.9 76 306 A V E -aE 9 84A 3 -68,-2.0 -66,-1.4 -2,-0.3 2,-0.5 -0.962 5.9-153.1-144.1 149.1 13.8 28.9 90.5 77 307 A V E - E 0 83A 6 6,-2.0 6,-2.3 -2,-0.3 -68,-0.1 -0.985 16.8-170.0-121.3 108.0 14.7 27.6 94.0 78 308 A T + 0 0 55 -2,-0.5 2,-0.3 4,-0.2 4,-0.2 0.324 57.1 84.9 -87.6 7.8 12.2 29.4 96.2 79 309 A Q S S- 0 0 60 2,-0.2 4,-0.2 4,-0.0 -2,-0.1 -0.846 94.1 -46.8-107.0 147.8 13.6 28.4 99.6 80 310 A E S S+ 0 0 128 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.323 129.2 40.3 -64.4 134.8 16.5 30.5 101.1 81 311 A P S S- 0 0 62 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.402 98.5-144.5 -76.3 133.9 18.9 31.3 99.7 82 312 A I - 0 0 5 -37,-0.2 -37,-2.4 -4,-0.2 2,-0.4 -0.379 16.6-163.3 -69.3 134.5 16.5 32.0 96.8 83 313 A Y E -DE 44 77A 27 -6,-2.3 -6,-2.0 -39,-0.2 2,-0.5 -0.964 17.6-162.1-122.0 149.0 17.9 31.4 93.3 84 314 A I E -DE 43 76A 3 -41,-2.2 -41,-2.6 -2,-0.4 2,-0.5 -0.993 19.3-159.1-123.7 121.6 16.8 32.4 89.8 85 315 A I E +DE 42 75A 1 -10,-3.2 -11,-3.0 -2,-0.5 -10,-1.9 -0.924 19.1 166.5-109.1 127.4 18.4 30.2 87.1 86 316 A T E -DE 41 73A 21 -45,-2.5 -45,-2.4 -2,-0.5 -13,-0.2 -0.813 43.2 -66.0-134.5 175.6 18.7 31.4 83.5 87 317 A E E -D 40 0A 37 -15,-2.3 2,-0.5 -2,-0.3 -47,-0.2 -0.263 55.9-122.1 -54.8 137.3 20.3 30.9 80.1 88 318 A Y - 0 0 42 -49,-0.5 2,-0.7 -48,-0.1 -1,-0.1 -0.790 17.6-156.1 -93.7 126.7 24.1 31.4 80.4 89 319 A M > - 0 0 11 -2,-0.5 3,-1.9 1,-0.1 53,-0.2 -0.911 5.5-157.6-107.4 107.2 25.5 34.2 78.1 90 320 A E T 3 S+ 0 0 84 -2,-0.7 53,-0.2 1,-0.3 -1,-0.1 0.724 87.9 47.1 -55.0 -38.1 29.1 33.3 77.5 91 321 A N T 3 S- 0 0 55 51,-2.2 -1,-0.3 1,-0.3 52,-0.2 0.259 96.3-156.6 -92.2 9.2 30.4 36.8 76.6 92 322 A G < + 0 0 27 -3,-1.9 50,-2.6 50,-0.4 -1,-0.3 -0.049 51.4 14.5 56.0-143.4 28.5 38.4 79.4 93 323 A S B > -G 141 0B 21 48,-0.2 4,-3.5 1,-0.1 3,-0.4 -0.396 61.4-139.5 -70.8 133.2 27.5 42.1 79.4 94 324 A L H > S+ 0 0 0 46,-3.1 4,-2.3 43,-0.6 44,-0.2 0.887 104.6 57.5 -57.1 -41.6 27.7 44.0 76.1 95 325 A V H 4 S+ 0 0 23 42,-1.1 4,-0.3 45,-0.3 -1,-0.2 0.894 115.8 36.7 -59.3 -35.6 29.1 47.0 77.8 96 326 A D H >4 S+ 0 0 100 -3,-0.4 3,-1.3 41,-0.2 4,-0.5 0.902 113.7 56.2 -82.2 -39.3 32.0 44.9 79.0 97 327 A F H >< S+ 0 0 5 -4,-3.5 3,-1.2 1,-0.3 6,-0.7 0.856 98.9 59.9 -62.1 -36.2 32.3 42.7 75.9 98 328 A L T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.691 103.0 54.1 -66.4 -18.7 32.8 45.7 73.6 99 329 A K T < S+ 0 0 122 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.541 90.3 92.8 -91.5 -10.7 35.9 46.7 75.5 100 330 A T S <> S- 0 0 50 -3,-1.2 4,-2.7 -4,-0.5 5,-0.2 -0.344 95.6-100.3 -80.2 166.2 37.6 43.3 75.2 101 331 A P H > S+ 0 0 88 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.866 124.3 49.7 -56.5 -36.0 40.1 42.5 72.3 102 332 A S H 4 S+ 0 0 73 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.933 111.4 46.8 -69.2 -45.8 37.3 40.7 70.4 103 333 A G H >4 S+ 0 0 0 -6,-0.7 3,-1.8 1,-0.2 -5,-0.2 0.919 108.0 57.7 -60.8 -43.4 34.8 43.5 70.8 104 334 A I H 3< S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 103.2 53.4 -56.8 -36.3 37.3 46.1 69.7 105 335 A K T 3< S+ 0 0 160 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.537 81.2 121.2 -80.7 -0.4 37.9 44.3 66.4 106 336 A L < - 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0 0 0 -2,-0.3 4,-1.8 13,-0.3 3,-0.6 -0.291 29.3-115.4 -61.8 146.7 13.6 59.7 78.5 179 409 A P H 3> S+ 0 0 21 0, 0.0 4,-3.5 0, 0.0 5,-0.4 0.877 113.7 56.6 -53.7 -43.0 12.7 63.2 79.7 180 410 A E H 3> S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 6,-1.2 0.862 109.3 47.4 -59.7 -33.4 9.1 62.4 80.4 181 411 A A H <> S+ 0 0 2 -3,-0.6 4,-1.4 4,-0.2 -1,-0.2 0.855 115.3 44.6 -74.4 -39.6 10.2 59.6 82.7 182 412 A I H < S+ 0 0 47 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.923 122.2 37.2 -70.0 -43.9 12.8 61.9 84.5 183 413 A N H < S+ 0 0 81 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.839 136.1 15.5 -78.7 -29.6 10.3 64.8 84.9 184 414 A Y H < S- 0 0 160 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.492 91.4-115.3-126.4 -2.7 7.1 62.9 85.6 185 415 A G < + 0 0 13 -4,-1.4 -19,-2.2 -5,-0.3 2,-0.6 0.512 69.9 145.3 75.1 8.3 7.8 59.3 86.5 186 416 A T E +J 165 0D 18 -6,-1.2 2,-0.4 -21,-0.2 -1,-0.2 -0.671 25.3 179.3 -90.5 115.5 6.0 58.4 83.3 187 417 A F E +J 164 0D 4 -23,-2.5 -23,-2.4 -2,-0.6 2,-0.3 -0.932 9.1 155.6-118.5 133.9 7.3 55.4 81.3 188 418 A T >> - 0 0 10 -2,-0.4 3,-1.5 -25,-0.2 4,-1.2 -0.826 62.4 -87.9-138.0 180.0 6.0 54.0 78.0 189 419 A I H 3> S+ 0 0 35 -27,-0.3 4,-1.6 -2,-0.3 3,-0.1 0.824 127.5 63.6 -62.5 -23.4 7.5 51.9 75.3 190 420 A K H 3> S+ 0 0 36 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.711 95.5 57.5 -72.3 -23.7 8.6 55.2 73.8 191 421 A S H <> S+ 0 0 1 -3,-1.5 4,-1.9 2,-0.2 -13,-0.3 0.839 105.4 50.5 -70.4 -40.2 10.7 55.9 76.9 192 422 A D H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.866 105.4 56.9 -64.2 -35.6 12.5 52.6 76.0 193 423 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.906 105.7 50.0 -61.9 -40.2 13.0 53.9 72.5 194 424 A W H X S+ 0 0 2 -4,-1.4 4,-1.7 1,-0.2 3,-0.3 0.956 111.3 49.2 -60.9 -51.0 14.8 57.0 73.8 195 425 A S H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.3 -2,-0.2 0.872 106.0 56.7 -54.8 -41.6 17.0 54.7 75.9 196 426 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.3 0.881 102.6 55.9 -58.9 -39.7 17.7 52.6 72.8 197 427 A G H X S+ 0 0 0 -4,-1.8 4,-0.8 -3,-0.3 -1,-0.2 0.939 110.3 44.6 -56.7 -43.5 18.9 55.8 71.1 198 428 A I H >X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 3,-0.6 0.868 109.4 56.0 -66.8 -44.0 21.4 56.2 74.0 199 429 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.911 100.0 59.9 -55.5 -42.3 22.3 52.4 73.8 200 430 A L H 3X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.820 103.0 52.2 -56.5 -33.2 23.3 52.9 70.1 201 431 A T H S+ 0 0 6 -4,-1.6 5,-4.0 1,-0.2 6,-0.3 0.876 110.5 49.1 -62.7 -36.7 27.3 52.9 73.7 203 433 A I H ><5S+ 0 0 6 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.960 111.8 45.1 -67.7 -50.9 27.6 50.5 70.8 204 434 A V H 3<5S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.593 116.0 46.9 -70.4 -14.9 29.4 52.7 68.4 205 435 A T T ><5S- 0 0 38 -4,-1.1 3,-0.5 3,-0.1 -1,-0.3 0.147 114.6-113.8-109.2 11.7 31.8 54.0 71.0 206 436 A H T < 5S- 0 0 53 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.914 82.6 -36.3 57.0 45.5 32.6 50.5 72.3 207 437 A G T 3 S- 0 0 6 19,-0.2 3,-1.8 1,-0.1 -2,-0.1 0.966 91.7-136.9 55.0 61.9 27.2 62.6 76.9 212 442 A P T 3 S+ 0 0 56 0, 0.0 18,-0.1 0, 0.0 -1,-0.1 -0.101 80.7 10.7 -49.2 128.9 31.1 62.6 77.2 213 443 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.583 104.6 114.1 77.8 13.4 32.4 65.4 79.5 214 444 A M < - 0 0 39 -3,-1.8 -1,-0.2 -4,-0.2 2,-0.1 -0.937 54.7-144.7-124.8 140.4 28.9 66.3 80.9 215 445 A T > - 0 0 78 -2,-0.4 4,-1.7 -3,-0.1 5,-0.2 -0.386 40.3 -98.8 -84.5 169.6 27.4 65.9 84.4 216 446 A N H > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.873 123.6 53.6 -58.2 -44.6 23.6 65.1 84.8 217 447 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 110.0 49.5 -59.5 -38.7 22.6 68.8 85.3 218 448 A E H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.839 109.7 50.3 -65.7 -39.8 24.4 69.7 82.0 219 449 A V H X S+ 0 0 1 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.968 112.1 47.6 -64.5 -48.7 22.7 67.0 80.1 220 450 A I H X S+ 0 0 54 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.936 113.2 48.3 -56.7 -43.6 19.3 68.1 81.5 221 451 A Q H X S+ 0 0 122 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.912 113.2 47.1 -65.3 -46.4 20.1 71.8 80.6 222 452 A N H ><>S+ 0 0 44 -4,-2.4 5,-2.2 2,-0.2 3,-0.7 0.941 111.6 50.2 -65.0 -45.0 21.2 70.8 77.1 223 453 A L H ><5S+ 0 0 16 -4,-3.1 3,-2.0 1,-0.2 -2,-0.2 0.945 106.6 55.5 -57.9 -44.5 18.2 68.6 76.4 224 454 A E H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.774 103.4 55.8 -63.3 -18.6 15.8 71.4 77.6 225 455 A R T <<5S- 0 0 166 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.534 124.6-104.4 -85.7 -9.6 17.4 73.7 74.9 226 456 A G T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.530 80.1 130.9 96.9 3.0 16.6 71.2 72.3 227 457 A Y < - 0 0 113 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.3 -0.510 36.9-164.6 -84.1 163.8 20.1 69.9 71.9 228 458 A R - 0 0 28 -2,-0.1 3,-0.1 1,-0.1 16,-0.0 -0.785 44.1 -48.6-134.1 177.8 20.9 66.2 71.9 229 459 A M - 0 0 5 -2,-0.3 -1,-0.1 1,-0.1 15,-0.0 -0.207 64.6-106.6 -53.3 135.2 24.1 64.2 72.3 230 460 A V - 0 0 113 1,-0.2 -19,-0.2 -18,-0.1 -1,-0.1 -0.323 49.9 -84.8 -58.7 143.6 27.0 65.4 70.2 231 461 A R - 0 0 135 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.307 52.0-119.5 -52.5 121.8 27.8 63.0 67.3 232 462 A P > - 0 0 19 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.305 38.1 -85.4 -66.3 152.9 30.1 60.4 68.7 233 463 A D T 3 S+ 0 0 119 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.358 113.2 4.9 -56.1 139.6 33.5 60.1 67.1 234 464 A N T 3 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.604 90.1 148.2 57.4 16.6 33.4 57.8 64.1 235 465 A C < - 0 0 19 -3,-1.8 -1,-0.2 1,-0.0 2,-0.1 -0.705 53.1-117.8 -81.5 126.5 29.6 57.4 64.2 236 466 A P > - 0 0 48 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.433 19.6-127.9 -62.5 137.0 28.1 57.0 60.7 237 467 A E H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 107.2 58.6 -56.4 -36.5 25.7 59.9 60.0 238 468 A E H > S+ 0 0 134 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 109.6 44.0 -59.9 -40.4 22.8 57.5 59.0 239 469 A L H > S+ 0 0 6 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.907 111.3 52.9 -71.5 -41.5 23.0 55.9 62.5 240 470 A Y H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.918 108.5 50.5 -61.6 -44.5 23.3 59.2 64.2 241 471 A Q H X S+ 0 0 90 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.827 108.4 53.8 -63.9 -26.9 20.1 60.4 62.4 242 472 A L H X S+ 0 0 8 -4,-1.2 4,-1.5 -5,-0.2 -2,-0.2 0.926 107.7 49.4 -71.3 -39.6 18.4 57.1 63.6 243 473 A M H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.904 105.4 57.8 -63.2 -39.2 19.4 58.0 67.2 244 474 A R H >< S+ 0 0 77 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.879 102.1 55.0 -61.0 -35.0 17.9 61.5 66.7 245 475 A L H >< S+ 0 0 53 -4,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.897 105.5 53.0 -64.2 -36.9 14.5 59.9 65.8 246 476 A C H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.704 107.4 53.4 -67.0 -23.5 14.7 58.0 69.1 247 477 A W T << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.131 74.8 144.1-101.3 24.6 15.2 61.3 70.9 248 478 A K < - 0 0 85 -3,-1.3 6,-0.1 1,-0.1 -3,-0.1 -0.271 56.7-124.7 -62.9 138.4 12.2 63.2 69.5 249 479 A E S S+ 0 0 123 4,-0.1 -1,-0.1 -23,-0.1 3,-0.1 0.944 96.5 60.6 -51.2 -54.2 10.7 65.5 72.0 250 480 A R S >> S- 0 0 131 1,-0.2 3,-1.6 2,-0.0 4,-0.6 -0.709 78.9-142.7 -82.2 128.3 7.2 64.0 71.8 251 481 A P G >4 S+ 0 0 34 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.933 100.3 59.1 -50.8 -45.4 7.1 60.3 72.8 252 482 A E G 34 S+ 0 0 115 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.705 99.8 56.7 -62.0 -18.8 4.5 59.6 70.1 253 483 A D G <4 S+ 0 0 70 -3,-1.6 -1,-0.3 -5,-0.0 -4,-0.1 0.638 84.6 97.8 -85.6 -18.1 6.9 60.9 67.4 254 484 A R S << S- 0 0 4 -3,-2.0 -8,-0.2 -4,-0.6 -9,-0.1 -0.478 82.1-107.4 -70.4 145.0 9.6 58.4 68.3 255 485 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.074 29.6-101.7 -69.2 168.2 9.6 55.2 66.1 256 486 A T > - 0 0 56 1,-0.1 4,-2.4 -63,-0.0 5,-0.2 -0.539 28.5-114.9 -84.9 164.2 8.5 51.7 67.0 257 487 A F H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -134,-0.2 0.889 118.4 56.4 -68.3 -32.0 11.0 49.0 67.8 258 488 A D H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 107.0 48.6 -64.3 -41.1 9.9 47.1 64.7 259 489 A Y H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.965 113.0 48.7 -59.8 -51.1 10.7 50.2 62.5 260 490 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.922 110.0 50.7 -54.8 -47.2 14.1 50.5 64.2 261 491 A R H X S+ 0 0 49 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.946 111.5 49.1 -58.4 -45.3 14.9 46.8 63.7 262 492 A S H X S+ 0 0 49 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.890 113.0 44.4 -63.2 -44.8 14.0 47.0 60.0 263 493 A V H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.920 113.3 52.2 -67.7 -42.8 16.1 50.1 59.3 264 494 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.867 107.3 52.0 -61.6 -37.7 19.1 48.6 61.3 265 495 A E H X S+ 0 0 67 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.860 109.9 49.8 -64.2 -38.4 18.9 45.4 59.3 266 496 A D H X S+ 0 0 101 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.925 108.9 51.4 -64.8 -41.8 19.0 47.5 56.1 267 497 A F H >X S+ 0 0 35 -4,-2.5 4,-2.0 1,-0.2 3,-0.8 0.946 114.4 44.6 -59.9 -43.6 22.0 49.4 57.4 268 498 A F H 3< S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 109.0 54.3 -64.8 -49.3 23.7 46.0 58.1 269 499 A T H 3< S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.562 112.2 47.0 -67.0 -6.3 22.8 44.4 54.8 270 500 A A H << 0 0 87 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.798 360.0 360.0-101.0 -42.9 24.4 47.3 53.1 271 501 A T < 0 0 90 -4,-2.0 -3,-0.0 -5,-0.2 0, 0.0 0.201 360.0 360.0 -81.4 360.0 27.7 47.6 55.0