==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-OCT-09 3KF4 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.ZHOU . 551 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 0 0 4 2 0 0 3 0 0 1 0 1 2 0 0 0 2 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 5 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 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 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 1 229 A S > 0 0 142 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.6 27.7 -35.3 -6.3 2 230 A P T 3 + 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.737 360.0 40.5 -65.7 -28.0 29.2 -33.9 -3.2 3 231 A N T 3 S+ 0 0 144 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.133 81.0 141.4-104.2 20.3 31.7 -31.4 -4.8 4 232 A Y < + 0 0 172 -3,-1.8 2,-0.3 2,-0.0 3,-0.1 -0.386 23.3 177.6 -61.2 135.1 29.3 -30.2 -7.5 5 233 A D > - 0 0 59 3,-0.2 3,-0.5 1,-0.1 -2,-0.0 -0.929 25.1-146.2-139.1 119.1 29.6 -26.5 -8.2 6 234 A K T 3 S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.766 96.9 41.2 -59.3 -26.8 27.4 -25.2 -11.0 7 235 A W T 3 S+ 0 0 65 64,-0.1 65,-2.4 -3,-0.1 2,-0.4 0.756 86.9 100.4 -93.3 -25.1 29.9 -22.6 -12.1 8 236 A E B < -a 72 0A 28 -3,-0.5 2,-0.2 63,-0.2 -3,-0.2 -0.474 51.0-175.0 -72.5 118.3 33.2 -24.4 -11.8 9 237 A M - 0 0 25 63,-3.1 2,-0.5 -2,-0.4 65,-0.1 -0.675 31.9-101.5-103.7 162.5 34.4 -25.6 -15.2 10 238 A E > - 0 0 102 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.748 24.3-136.5 -84.2 129.0 37.4 -27.8 -16.1 11 239 A R G > S+ 0 0 53 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.807 102.7 62.5 -52.2 -33.4 40.3 -25.7 -17.4 12 240 A T G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.559 86.4 73.0 -78.0 -6.6 40.9 -28.3 -20.1 13 241 A D G < S+ 0 0 61 -3,-2.6 21,-1.6 21,-0.1 22,-0.5 0.677 93.1 70.1 -72.1 -16.8 37.5 -27.6 -21.5 14 242 A I E < -B 33 0A 11 -3,-1.6 2,-0.6 -4,-0.3 19,-0.2 -0.883 65.3-156.4-112.9 128.3 38.9 -24.3 -22.8 15 243 A T E -B 32 0A 60 17,-2.7 17,-2.4 -2,-0.5 2,-0.7 -0.905 17.9-143.2 -91.7 125.1 41.5 -23.6 -25.5 16 244 A M E +B 31 0A 53 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.819 22.8 178.6 -85.8 115.8 43.1 -20.2 -25.0 17 245 A K E - 0 0 88 13,-2.4 2,-0.3 -2,-0.7 14,-0.2 0.964 51.5 -35.9 -86.9 -58.5 43.6 -18.8 -28.5 18 246 A H E -B 30 0A 89 12,-1.2 12,-2.6 0, 0.0 2,-0.3 -0.981 63.9 -86.2-164.5 158.3 45.2 -15.3 -28.1 19 247 A K E -B 29 0A 84 -2,-0.3 10,-0.3 10,-0.2 2,-0.1 -0.585 52.4-121.7 -77.3 132.6 45.2 -12.3 -25.9 20 248 A L > > - 0 0 31 8,-2.8 3,-0.8 -2,-0.3 5,-0.6 -0.344 64.3 -10.9 -79.4 151.8 42.5 -9.9 -26.8 21 249 A G T 3 5S- 0 0 55 1,-0.2 -2,-0.0 2,-0.1 8,-0.0 -0.508 115.5 -46.6 77.3-117.3 42.7 -6.2 -27.8 22 250 A G T 3 5S- 0 0 47 -2,-0.5 -1,-0.2 4,-0.0 -2,-0.1 -0.277 86.3 -76.9-146.9 60.4 46.2 -4.9 -27.2 23 251 A G T X 5S+ 0 0 43 -3,-0.8 3,-1.5 3,-0.2 -2,-0.1 0.496 112.8 116.0 54.7 -0.9 47.1 -6.0 -23.8 24 252 A Q T 3 5S+ 0 0 112 1,-0.3 -1,-0.1 -4,-0.2 -3,-0.1 0.698 71.8 46.5 -72.2 -20.1 44.7 -3.1 -23.2 25 253 A Y T 3 >> -BC 14 38A 49 5,-3.6 3,-1.6 -2,-0.4 5,-1.4 -0.771 28.4-160.6 -82.4 93.7 34.9 -24.0 -25.3 34 262 A K G >45S+ 0 0 114 -21,-1.6 3,-0.5 -2,-1.3 -1,-0.2 0.825 79.5 63.4 -58.8 -37.3 36.0 -26.9 -27.4 35 263 A K G 345S+ 0 0 152 -22,-0.5 -1,-0.3 1,-0.3 -21,-0.1 0.872 121.3 23.3 -50.6 -39.3 33.1 -29.2 -26.5 36 264 A Y G <45S- 0 0 131 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.401 100.6-123.2-111.1 -1.8 30.7 -26.8 -28.2 37 265 A S T <<5 + 0 0 100 -4,-1.2 2,-0.5 -3,-0.5 -3,-0.2 0.810 60.1 155.0 57.3 28.8 33.0 -25.0 -30.6 38 266 A L E < -C 33 0A 76 -5,-1.4 -5,-3.6 46,-0.0 2,-0.3 -0.784 44.2-131.6 -91.9 126.5 31.9 -21.8 -28.8 39 267 A T E +C 32 0A 47 -2,-0.5 46,-0.7 -7,-0.2 -7,-0.3 -0.582 37.0 172.3 -68.0 130.9 34.1 -18.8 -28.8 40 268 A V E -CD 31 84A 0 -9,-2.8 -9,-3.0 -2,-0.3 2,-0.4 -0.811 32.0-119.6-130.4 173.8 34.4 -17.4 -25.3 41 269 A A E -CD 30 83A 12 42,-2.7 42,-2.5 -2,-0.3 2,-0.4 -0.941 27.5-164.9-113.8 145.9 36.4 -14.7 -23.5 42 270 A V E -CD 29 82A 0 -13,-2.7 -13,-3.3 -2,-0.4 2,-0.5 -0.991 9.5-161.1-135.6 123.9 38.6 -15.8 -20.6 43 271 A K E -CD 28 81A 58 38,-3.0 38,-2.3 -2,-0.4 2,-0.3 -0.902 19.5-173.9-102.7 133.0 40.2 -13.6 -18.0 44 272 A T E - D 0 80A 17 -17,-2.4 -17,-0.2 -2,-0.5 36,-0.2 -0.854 17.5-159.4-126.2 161.7 43.1 -15.2 -16.1 45 273 A L 0 0 58 34,-1.2 -1,-0.2 -2,-0.3 35,-0.1 0.771 360.0 360.0-102.0 -86.7 45.3 -14.3 -13.2 46 274 A K 0 0 170 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.782 360.0 360.0 -34.5 360.0 48.7 -15.9 -12.7 47 ! 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 48 280 A V > 0 0 104 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -42.7 43.9 -12.8 -6.2 49 281 A E H > + 0 0 153 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.875 360.0 48.9 -57.2 -38.6 41.3 -11.5 -3.8 50 282 A E H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.859 112.2 49.4 -68.9 -37.8 40.2 -8.9 -6.3 51 283 A F H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.965 112.8 45.8 -62.9 -53.7 40.0 -11.5 -9.0 52 284 A L H X S+ 0 0 67 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.819 109.6 56.1 -62.7 -31.2 37.9 -13.9 -6.9 53 285 A K H X S+ 0 0 65 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.887 107.4 47.9 -70.3 -36.7 35.7 -11.0 -5.8 54 286 A E H X S+ 0 0 15 -4,-1.7 4,-2.1 -3,-0.3 -2,-0.2 0.923 112.3 50.5 -67.7 -40.9 34.9 -10.2 -9.4 55 287 A A H X S+ 0 0 2 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.934 110.9 48.9 -59.3 -46.5 34.2 -13.9 -10.0 56 288 A A H >< S+ 0 0 49 -4,-2.9 3,-0.6 1,-0.2 4,-0.5 0.925 111.0 49.7 -60.8 -46.1 31.9 -14.0 -7.0 57 289 A V H >X S+ 0 0 15 -4,-2.4 3,-1.4 1,-0.2 4,-0.6 0.870 104.6 57.4 -60.2 -39.8 29.9 -10.9 -8.0 58 290 A M H 3< S+ 0 0 11 -4,-2.1 3,-0.4 1,-0.3 11,-0.3 0.763 98.5 61.0 -70.0 -21.7 29.3 -12.2 -11.6 59 291 A K T << S+ 0 0 56 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.725 105.6 49.6 -68.9 -20.8 27.6 -15.3 -10.2 60 292 A E T <4 S+ 0 0 123 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.2 0.516 102.1 64.4-100.6 -11.7 25.0 -13.1 -8.5 61 293 A I < + 0 0 16 -4,-0.6 2,-0.3 -3,-0.4 8,-0.3 -0.944 52.3 169.5-122.5 139.6 24.0 -10.8 -11.4 62 294 A K + 0 0 169 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.972 12.9 138.3-150.7 131.3 22.2 -11.7 -14.6 63 295 A H > - 0 0 34 3,-0.4 3,-2.2 -2,-0.3 55,-0.1 -0.946 59.1-107.9-172.2 146.7 20.7 -9.5 -17.2 64 296 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.716 121.4 44.2 -53.4 -25.0 20.5 -9.1 -21.0 65 297 A N T 3 S+ 0 0 16 49,-0.1 82,-2.9 81,-0.1 2,-0.4 0.010 95.6 86.1-117.6 25.7 22.8 -6.1 -20.8 66 298 A L B < S-f 147 0B 4 -3,-2.2 -3,-0.4 80,-0.2 82,-0.2 -0.998 94.2-100.4-117.0 131.2 25.4 -7.5 -18.4 67 299 A V - 0 0 13 80,-2.5 2,-0.5 -2,-0.4 -2,-0.1 -0.244 48.6-113.4 -54.9 132.8 28.2 -9.5 -19.9 68 300 A Q - 0 0 90 -4,-0.1 16,-2.0 -6,-0.1 2,-0.3 -0.575 18.2-141.3 -86.2 117.5 27.2 -13.2 -19.3 69 301 A L E + E 0 83A 14 -2,-0.5 14,-0.3 -11,-0.3 3,-0.1 -0.578 21.6 175.8 -67.0 130.1 29.3 -15.3 -16.9 70 302 A L E - 0 0 36 12,-3.1 2,-0.3 1,-0.4 13,-0.2 0.665 58.1 -48.5-105.6 -31.5 29.5 -18.9 -18.4 71 303 A G E - E 0 82A 0 11,-2.1 11,-3.1 -62,-0.0 -1,-0.4 -0.982 45.7-125.1 177.6 176.5 31.8 -20.3 -15.8 72 304 A V E -aE 8 81A 0 -65,-2.4 -63,-3.1 -2,-0.3 2,-0.4 -0.949 6.6-150.8-137.9 157.9 35.0 -20.1 -13.6 73 305 A C E + E 0 80A 4 7,-2.5 7,-2.4 -2,-0.3 -63,-0.1 -0.877 46.8 134.0-124.6 97.2 38.1 -22.1 -12.8 74 306 A T + 0 0 28 -2,-0.4 5,-0.1 5,-0.2 -1,-0.1 0.027 41.1 90.7-136.0 25.0 38.9 -21.1 -9.3 75 307 A R S S+ 0 0 122 1,-0.4 4,-0.1 -3,-0.1 -2,-0.0 0.828 105.7 2.8 -84.5 -37.7 39.6 -24.4 -7.5 76 308 A E S S- 0 0 84 2,-0.2 -1,-0.4 0, 0.0 -3,-0.0 -0.983 98.2 -61.0-141.1 152.5 43.3 -24.1 -8.4 77 309 A P S S+ 0 0 84 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.321 102.6 62.0 -61.7 157.0 45.5 -21.5 -10.2 78 310 A P S S- 0 0 52 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 0.578 85.4-151.0 -70.5 138.5 45.7 -20.4 -12.8 79 311 A F - 0 0 25 -5,-0.1 -34,-1.2 -2,-0.1 2,-0.4 -0.482 11.5-162.6 -75.9 147.1 42.3 -19.0 -12.1 80 312 A Y E -DE 44 73A 27 -7,-2.4 -7,-2.5 -36,-0.2 2,-0.4 -0.982 17.1-165.0-125.9 142.7 39.9 -18.3 -15.0 81 313 A I E -DE 43 72A 4 -38,-2.3 -38,-3.0 -2,-0.4 2,-0.5 -0.999 21.0-161.5-115.6 128.3 36.7 -16.3 -15.4 82 314 A I E +DE 42 71A 0 -11,-3.1 -12,-3.1 -2,-0.4 -11,-2.1 -0.936 16.6 163.2-116.6 124.8 34.9 -17.4 -18.6 83 315 A T E -DE 41 69A 21 -42,-2.5 -42,-2.7 -2,-0.5 -14,-0.2 -0.832 44.9 -75.5-128.9 167.9 32.2 -15.2 -20.3 84 316 A E E -D 40 0A 36 -16,-2.0 2,-0.6 -2,-0.3 -44,-0.2 -0.243 53.4-109.3 -51.5 152.9 30.5 -14.9 -23.6 85 317 A F - 0 0 55 -46,-0.7 2,-0.7 -45,-0.1 -1,-0.1 -0.833 23.1-147.3 -88.9 122.1 32.6 -13.4 -26.4 86 318 A M > - 0 0 14 -2,-0.6 3,-1.3 1,-0.1 53,-0.2 -0.849 11.5-147.4 -93.8 113.9 31.4 -9.9 -27.3 87 319 A T T 3 S+ 0 0 71 -2,-0.7 53,-0.2 1,-0.3 -1,-0.1 0.688 86.2 39.9 -60.5 -30.5 32.1 -9.6 -31.0 88 320 A Y T 3 S- 0 0 111 51,-2.6 -1,-0.3 1,-0.3 52,-0.2 0.455 96.1-138.9-104.1 -0.5 32.9 -5.9 -31.3 89 321 A G E < +G 139 0B 19 -3,-1.3 50,-2.7 50,-0.6 -1,-0.3 -0.357 55.4 2.1 78.7-157.8 35.0 -5.2 -28.2 90 322 A N E > -G 138 0B 7 48,-0.2 4,-1.9 1,-0.1 48,-0.3 -0.364 63.4-127.6 -76.6 145.5 34.8 -2.2 -25.9 91 323 A L H > S+ 0 0 0 46,-2.3 4,-2.8 43,-0.8 44,-0.2 0.781 102.0 60.6 -60.4 -33.2 32.2 0.6 -26.6 92 324 A L H > S+ 0 0 17 42,-0.8 4,-2.1 45,-0.3 -1,-0.2 0.971 110.6 39.2 -65.2 -51.1 34.7 3.5 -26.5 93 325 A D H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 113.0 57.9 -65.6 -34.2 36.8 2.2 -29.4 94 326 A Y H X S+ 0 0 35 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.955 109.6 44.3 -56.7 -51.1 33.6 1.1 -31.2 95 327 A L H < S+ 0 0 2 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.872 111.3 54.0 -60.7 -39.4 32.3 4.7 -31.1 96 328 A R H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.777 119.8 31.8 -69.9 -25.2 35.6 6.1 -32.2 97 329 A E H < S+ 0 0 158 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.386 94.3 119.7-112.8 4.7 35.8 3.9 -35.2 98 330 A C < - 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0 0 14 -2,-0.3 4,-1.4 -25,-0.2 3,-0.5 -0.895 67.0 -76.5-163.9-175.9 63.1 6.9 -2.0 471 418 B I H 3> S+ 0 0 34 -27,-0.4 4,-1.6 -2,-0.3 5,-0.1 0.811 130.1 61.4 -68.8 -22.9 60.3 6.4 -4.5 472 419 B K H 3> S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.782 98.9 52.9 -71.1 -30.5 60.4 10.2 -4.8 473 420 B S H <> S+ 0 0 6 -3,-0.5 4,-2.1 2,-0.2 -13,-0.2 0.835 107.7 52.5 -73.1 -29.8 64.0 10.1 -6.1 474 421 B D H X S+ 0 0 2 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.876 105.9 54.7 -63.6 -38.1 62.7 7.6 -8.7 475 422 B V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.935 107.3 49.8 -62.4 -41.5 60.1 10.2 -9.5 476 423 B W H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.941 112.1 47.3 -60.4 -48.1 62.8 12.8 -10.1 477 424 B A H X S+ 0 0 6 -4,-2.1 4,-2.9 1,-0.2 3,-0.3 0.922 107.8 56.0 -60.2 -43.1 64.7 10.3 -12.4 478 425 B F H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.3 -1,-0.2 0.897 102.9 56.6 -56.7 -39.2 61.5 9.6 -14.2 479 426 B G H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -1,-0.3 0.908 108.9 45.4 -57.4 -42.3 61.2 13.3 -14.9 480 427 B V H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.3 3,-0.2 0.910 110.0 54.0 -68.1 -41.8 64.7 13.2 -16.5 481 428 B L H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.884 104.7 56.2 -57.8 -38.3 63.7 10.1 -18.5 482 429 B L H X S+ 0 0 5 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.879 105.9 50.3 -59.0 -40.5 60.6 12.0 -19.7 483 430 B W H X S+ 0 0 6 -4,-1.3 4,-2.0 -3,-0.2 7,-0.3 0.888 108.4 52.1 -68.2 -40.0 63.0 14.7 -21.1 484 431 B E H <>S+ 0 0 1 -4,-2.1 5,-3.6 2,-0.2 6,-0.4 0.907 113.2 45.1 -58.2 -43.4 65.1 12.0 -22.8 485 432 B I H ><5S+ 0 0 5 -4,-2.3 3,-2.0 3,-0.2 -2,-0.2 0.959 112.0 51.3 -65.2 -48.6 61.9 10.7 -24.4 486 433 B A H 3<5S+ 0 0 15 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.808 115.2 42.4 -60.5 -33.0 60.6 14.1 -25.4 487 434 B T T 3<5S- 0 0 15 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.294 114.4-114.7 -95.4 7.3 63.9 15.0 -27.0 488 435 B Y T < 5S- 0 0 30 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.891 82.6 -36.6 51.7 44.4 64.3 11.6 -28.7 489 436 B G S S- 0 0 4 1,-0.2 3,-0.6 -36,-0.1 2,-0.1 0.928 87.4-141.8 44.3 62.7 71.7 19.2 -19.3 494 441 B P T 3 S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.299 75.8 0.1 -54.8 124.4 73.3 20.0 -22.6 495 442 B G T 3 S+ 0 0 82 1,-0.2 2,-0.2 -3,-0.2 -2,-0.1 -0.133 99.9 118.4 92.4 -38.5 76.6 22.0 -22.3 496 443 B I < - 0 0 38 -3,-0.6 -1,-0.2 -2,-0.3 2,-0.1 -0.415 66.2-124.5 -65.4 130.1 76.5 22.1 -18.4 497 444 B D > - 0 0 99 -2,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.490 21.6-119.2 -70.1 146.8 79.5 20.4 -16.7 498 445 B L G > S+ 0 0 99 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.834 110.2 65.7 -56.6 -33.3 78.4 17.7 -14.3 499 446 B S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.601 100.9 49.1 -68.3 -14.1 80.1 19.6 -11.4 500 447 B Q G <> S+ 0 0 67 -3,-1.9 4,-2.1 1,-0.1 -1,-0.3 0.470 85.4 90.9-103.8 -5.2 77.6 22.6 -11.7 501 448 B V H <> S+ 0 0 2 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.920 84.7 47.1 -63.4 -49.0 74.4 20.6 -11.8 502 449 B Y H > S+ 0 0 56 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.940 112.6 50.5 -62.8 -44.9 73.5 20.6 -8.1 503 450 B E H > S+ 0 0 99 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.926 111.2 49.2 -54.4 -48.3 74.2 24.3 -7.7 504 451 B L H <>S+ 0 0 44 -4,-2.1 5,-2.7 1,-0.2 3,-0.4 0.911 110.8 48.5 -62.2 -44.3 72.0 25.1 -10.6 505 452 B L H ><5S+ 0 0 2 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.909 106.9 57.5 -59.7 -40.5 69.2 23.0 -9.3 506 453 B E H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.2 52.0 -61.9 -29.9 69.6 24.7 -5.9 507 454 B K T 3<5S- 0 0 151 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.237 125.7-108.1 -85.3 11.2 69.0 28.0 -7.8 508 455 B D T < 5 + 0 0 100 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.675 66.9 155.1 61.1 21.5 65.8 26.3 -9.2 509 456 B Y < + 0 0 92 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.3 -0.630 16.7 177.8 -66.0 130.5 67.3 26.0 -12.7 510 457 B R - 0 0 10 -2,-0.4 16,-0.0 -3,-0.1 -5,-0.0 -0.943 38.2 -81.2-128.2 157.7 65.6 23.2 -14.6 511 458 B M - 0 0 1 -2,-0.3 15,-0.0 1,-0.1 -1,-0.0 -0.257 55.3-106.0 -50.2 140.7 66.0 21.8 -18.1 512 459 B E - 0 0 141 1,-0.1 -1,-0.1 -3,-0.0 3,-0.0 -0.268 40.2 -88.2 -68.2 155.4 64.1 23.8 -20.7 513 460 B R - 0 0 100 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.529 53.1-118.0 -62.3 120.4 60.9 22.5 -22.4 514 461 B P > - 0 0 7 0, 0.0 3,-2.2 0, 0.0 8,-0.1 -0.267 37.1 -85.5 -62.0 148.7 62.1 20.5 -25.4 515 462 B E T 3 S+ 0 0 186 1,-0.3 -3,-0.0 -28,-0.1 0, 0.0 -0.320 116.3 9.7 -52.0 125.2 61.1 21.7 -28.8 516 463 B G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.308 90.6 140.4 87.1 -10.9 57.7 20.2 -29.6 517 464 B C < - 0 0 5 -3,-2.2 -1,-0.3 1,-0.1 5,-0.0 -0.502 59.3-112.3 -70.1 124.4 57.1 18.9 -26.1 518 465 B P >> - 0 0 74 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.299 19.7-124.8 -58.4 138.8 53.5 19.4 -25.0 519 466 B E H 3> S+ 0 0 114 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.866 109.7 51.6 -55.0 -42.3 53.1 22.0 -22.3 520 467 B K H 3> S+ 0 0 82 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.804 109.4 51.0 -69.7 -28.1 51.2 19.6 -20.0 521 468 B V H <> S+ 0 0 11 -3,-0.8 4,-2.2 2,-0.2 3,-0.5 0.952 109.4 49.8 -69.9 -47.5 54.0 17.0 -20.3 522 469 B Y H X S+ 0 0 34 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.855 106.9 56.1 -60.3 -35.5 56.6 19.6 -19.5 523 470 B E H X S+ 0 0 89 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.3 0.867 105.8 50.8 -64.0 -34.9 54.5 20.6 -16.4 524 471 B L H X S+ 0 0 34 -4,-1.2 4,-2.2 -3,-0.5 -2,-0.2 0.911 108.6 51.9 -68.7 -40.1 54.6 17.0 -15.3 525 472 B M H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.944 109.8 49.8 -52.9 -51.6 58.4 17.0 -15.7 526 473 B R H < S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.867 108.4 51.8 -60.3 -38.9 58.5 20.1 -13.6 527 474 B A H >< S+ 0 0 28 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.892 108.3 52.4 -62.9 -38.9 56.4 18.5 -10.9 528 475 B C H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.5 52.5 -66.4 -25.5 58.8 15.5 -10.9 529 476 B W T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.082 74.3 139.1-103.2 22.7 61.7 18.0 -10.4 530 477 B Q < - 0 0 84 -3,-1.4 6,-0.2 1,-0.1 5,-0.1 -0.464 58.2-129.3 -60.0 137.3 60.2 19.7 -7.4 531 478 B W S S+ 0 0 97 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.911 92.6 64.5 -62.9 -43.8 63.0 20.3 -5.0 532 479 B N S >> S- 0 0 75 1,-0.1 3,-1.8 -71,-0.1 4,-0.6 -0.716 80.5-140.5 -84.8 124.8 61.3 18.8 -2.0 533 480 B P G >4 S+ 0 0 35 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.863 101.8 57.1 -47.6 -43.7 60.6 15.1 -2.4 534 481 B S G 34 S+ 0 0 90 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.719 100.1 60.3 -68.9 -15.9 57.1 15.4 -0.8 535 482 B D G <4 S+ 0 0 95 -3,-1.8 -1,-0.3 -5,-0.1 -4,-0.1 0.676 86.4 93.0 -81.5 -18.5 56.2 18.0 -3.4 536 483 B R S << S- 0 0 4 -3,-1.4 -8,-0.2 -4,-0.6 -9,-0.1 -0.465 83.9-108.5 -74.2 144.8 56.7 15.5 -6.3 537 484 B P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.205 31.5-108.7 -64.8 162.6 53.7 13.5 -7.5 538 485 B S > - 0 0 21 1,-0.1 4,-2.4 -63,-0.0 5,-0.1 -0.452 26.2-114.8 -79.8 165.4 53.3 9.8 -6.9 539 486 B F H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -134,-0.3 0.820 118.8 62.9 -72.2 -27.5 53.7 7.4 -9.8 540 487 B A H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 108.8 40.7 -57.1 -47.1 50.1 6.6 -9.3 541 488 B E H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 115.1 50.3 -65.3 -46.9 49.3 10.2 -10.2 542 489 B I H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.938 110.5 51.3 -59.2 -46.3 51.8 10.4 -13.0 543 490 B H H X S+ 0 0 19 -4,-3.2 4,-2.7 -142,-0.3 5,-0.2 0.914 110.0 46.1 -60.3 -47.1 50.5 7.2 -14.5 544 491 B Q H X S+ 0 0 36 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.890 112.6 53.3 -64.3 -35.9 46.8 8.3 -14.5 545 492 B A H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.941 113.1 41.8 -60.8 -47.0 47.9 11.6 -16.0 546 493 B F H X S+ 0 0 3 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.910 113.4 51.7 -71.0 -39.8 49.8 10.0 -18.8 547 494 B E H X S+ 0 0 78 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.923 111.4 49.8 -58.8 -44.2 47.2 7.4 -19.5 548 495 B T H X S+ 0 0 22 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.928 112.7 45.2 -60.9 -47.1 44.7 10.3 -19.7 549 496 B M H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.896 113.2 51.5 -63.2 -39.3 46.8 12.2 -22.1 550 497 B F H X S+ 0 0 42 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.912 109.9 48.9 -63.0 -42.6 47.4 9.1 -24.1 551 498 B Q H < S+ 0 0 65 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.9 47.1 -64.8 -34.5 43.7 8.4 -24.3 552 499 B E H < S+ 0 0 66 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.823 112.6 46.6 -78.1 -32.2 43.0 12.0 -25.4 553 500 B S H < 0 0 60 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.598 360.0 360.0 -91.8 -13.4 45.7 12.1 -28.1 554 501 B S < 0 0 83 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.560 360.0 360.0 -81.7 360.0 44.8 8.8 -29.6