==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUN-08 3DK3 . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.A.LEWIS . 535 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 63.9 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 . 73 13.6 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 4 2 0 0 2 1 0 1 1 0 3 0 0 0 2 0 0 0 0 0 0 0 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 . 2 4 2 5 1 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 1 233 A D > 0 0 122 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.7 -15.5 84.5 51.7 2 234 A K T 3 + 0 0 185 1,-0.2 0, 0.0 66,-0.0 0, 0.0 0.677 360.0 59.1 -63.9 -19.0 -17.3 81.3 50.7 3 235 A W T 3 S+ 0 0 43 65,-0.1 66,-2.1 2,-0.1 -1,-0.2 0.792 76.9 104.4 -82.1 -31.9 -20.5 82.7 52.4 4 236 A E B < +a 69 0A 60 -3,-0.6 2,-0.3 64,-0.2 66,-0.2 -0.329 50.4 178.9 -64.7 128.0 -20.9 85.9 50.4 5 237 A M - 0 0 24 64,-2.8 2,-0.3 -2,-0.1 66,-0.1 -0.833 34.5 -99.9-126.7 158.7 -23.7 85.6 47.9 6 238 A E > - 0 0 131 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.651 27.2-138.1 -74.9 135.8 -25.5 87.7 45.3 7 239 A R G > S+ 0 0 118 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.848 102.4 61.4 -61.6 -36.3 -28.8 89.1 46.6 8 240 A T G 3 S+ 0 0 78 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.527 83.2 79.2 -72.7 -7.7 -30.5 88.3 43.3 9 241 A D G < S+ 0 0 61 -3,-1.2 21,-1.4 20,-0.1 2,-0.4 0.721 91.7 63.1 -66.6 -22.4 -29.8 84.6 43.8 10 242 A I E < S-B 29 0A 9 -3,-1.5 2,-0.6 -4,-0.2 19,-0.2 -0.893 71.1-152.2-110.7 131.3 -32.8 84.6 46.1 11 243 A T E -B 28 0A 61 17,-2.6 17,-2.4 -2,-0.4 2,-0.2 -0.927 24.7-136.8 -98.4 120.2 -36.4 85.4 45.3 12 244 A M E +B 27 0A 57 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.543 27.0 173.3 -80.7 137.4 -38.2 86.8 48.3 13 245 A K E - 0 0 101 13,-2.8 2,-0.1 1,-0.3 -1,-0.1 -0.082 44.3 -35.7-113.1-142.3 -41.7 85.7 49.2 14 246 A H E - 0 0 161 1,-0.1 12,-2.8 -2,-0.1 -1,-0.3 -0.432 67.7 -87.2 -86.9 158.7 -43.8 86.5 52.3 15 247 A K E -B 25 0A 90 10,-0.3 3,-0.4 -2,-0.1 10,-0.3 -0.366 49.4-133.7 -57.2 134.4 -42.7 87.0 56.0 16 248 A L S > S+ 0 0 30 8,-2.5 3,-1.9 1,-0.2 5,-0.5 -0.506 75.7 25.7 -93.4 163.8 -42.6 83.6 57.8 17 249 A G G > S- 0 0 37 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.706 124.6 -71.8 61.1 24.6 -44.0 82.6 61.2 18 250 A G G 3 S- 0 0 87 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.620 87.9 -65.7 65.6 14.3 -46.7 85.3 61.1 19 251 A G G X S+ 0 0 28 -3,-1.9 3,-1.6 5,-0.2 -1,-0.2 0.475 101.3 129.2 89.4 5.1 -43.9 88.0 61.6 20 252 A Q T < S+ 0 0 101 -3,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.699 73.6 49.3 -67.3 -21.1 -43.0 86.8 65.2 21 253 A Y T 3 S- 0 0 55 -5,-0.5 2,-0.3 1,-0.4 -1,-0.3 0.299 110.5-126.0 -98.9 7.6 -39.3 86.6 64.3 22 254 A G S < S+ 0 0 35 -3,-1.6 2,-2.2 -6,-0.1 -1,-0.4 -0.657 78.2 7.5 85.7-139.3 -39.2 90.1 62.7 23 255 A E S S+ 0 0 55 -2,-0.3 17,-2.8 17,-0.2 2,-0.5 -0.399 88.8 133.6 -80.1 63.4 -37.9 90.6 59.2 24 256 A V E - C 0 39A 5 -2,-2.2 -8,-2.5 -8,-0.2 2,-0.3 -0.975 34.1-171.3-117.6 123.5 -37.5 86.9 58.4 25 257 A Y E -BC 15 38A 49 13,-3.0 13,-2.7 -2,-0.5 2,-0.3 -0.836 28.3-118.0-120.2 148.0 -38.9 85.8 55.0 26 258 A E E + C 0 37A 57 -12,-2.8 -13,-2.8 -2,-0.3 2,-0.3 -0.638 47.2 174.0 -71.8 140.2 -39.6 82.6 53.1 27 259 A G E -BC 12 36A 0 9,-2.6 9,-3.1 -2,-0.3 2,-0.5 -0.951 31.1-123.9-147.7 165.7 -37.5 82.7 49.9 28 260 A V E -BC 11 35A 42 -17,-2.4 -17,-2.6 -2,-0.3 2,-1.1 -0.970 8.5-151.2-116.9 122.9 -36.4 80.6 46.9 29 261 A W E >>> -BC 10 34A 29 5,-3.5 5,-1.9 -2,-0.5 4,-0.8 -0.814 19.8-161.8 -87.3 97.6 -32.8 79.9 46.0 30 262 A K G >45S+ 0 0 105 -21,-1.4 3,-0.7 -2,-1.1 -1,-0.2 0.815 79.8 58.8 -55.3 -43.4 -33.4 79.6 42.3 31 263 A K G 345S+ 0 0 158 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.875 120.2 28.6 -53.8 -43.0 -30.2 77.8 41.4 32 264 A Y G <45S- 0 0 138 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.391 102.2-125.8-100.7 1.2 -31.0 74.9 43.7 33 265 A S T <<5 + 0 0 106 -4,-0.8 2,-0.4 -3,-0.7 -3,-0.2 0.886 62.2 152.5 51.3 43.5 -34.9 75.2 43.5 34 266 A L E < -C 29 0A 80 -5,-1.9 -5,-3.5 47,-0.0 2,-0.3 -0.891 50.3-130.9-117.2 128.9 -34.7 75.4 47.2 35 267 A T E +C 28 0A 57 -2,-0.4 47,-0.8 -7,-0.2 2,-0.3 -0.608 38.8 174.5 -71.8 128.5 -37.0 77.0 49.8 36 268 A V E -CD 27 81A 0 -9,-3.1 -9,-2.6 -2,-0.3 2,-0.4 -0.852 31.9-119.3-131.0 165.4 -34.8 79.1 52.2 37 269 A A E -CD 26 80A 8 43,-2.5 43,-2.9 -2,-0.3 2,-0.4 -0.911 27.9-166.7-105.8 138.5 -35.3 81.5 55.2 38 270 A V E -CD 25 79A 0 -13,-2.7 -13,-3.0 -2,-0.4 2,-0.5 -0.966 10.0-158.9-132.5 115.6 -33.9 85.0 54.8 39 271 A K E +CD 24 78A 37 39,-2.7 39,-1.9 -2,-0.4 -15,-0.2 -0.823 25.3 174.2 -89.1 128.7 -33.5 87.5 57.6 40 272 A T E - D 0 77A 11 -17,-2.8 2,-0.4 -2,-0.5 -17,-0.2 -0.711 29.7-129.3-126.8 177.9 -33.2 91.0 56.2 41 273 A L 0 0 59 35,-0.6 35,-0.4 -2,-0.2 -2,-0.0 -0.919 360.0 360.0-136.2 106.9 -33.1 94.6 57.5 42 274 A K 0 0 121 -2,-0.4 -2,-0.1 33,-0.1 -19,-0.0 -0.995 360.0 360.0-140.6 360.0 -35.5 97.2 56.0 43 ! 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 44 279 A E > 0 0 122 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 141.4 -29.8 98.0 63.9 45 280 A V H > + 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 360.0 47.5 -59.4 -50.9 -27.1 97.5 61.2 46 281 A E H > S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.817 111.8 51.0 -66.0 -33.1 -24.1 96.5 63.3 47 282 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 110.1 50.6 -66.6 -44.3 -26.1 94.0 65.4 48 283 A F H X S+ 0 0 6 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.903 110.6 48.0 -57.9 -47.1 -27.4 92.4 62.1 49 284 A L H X S+ 0 0 47 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.779 109.0 53.6 -71.3 -28.4 -23.8 92.1 60.7 50 285 A K H X S+ 0 0 129 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.882 106.1 53.7 -69.1 -40.8 -22.5 90.5 63.9 51 286 A E H X S+ 0 0 39 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 108.3 50.0 -55.3 -46.0 -25.3 87.9 63.7 52 287 A A H X S+ 0 0 2 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.893 111.8 48.5 -59.6 -41.7 -24.1 87.1 60.2 53 288 A A H < S+ 0 0 39 -4,-1.6 3,-0.4 1,-0.2 4,-0.4 0.899 112.5 46.8 -66.0 -44.7 -20.5 86.8 61.5 54 289 A V H >< S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.2 4,-0.4 0.887 105.5 59.8 -65.4 -40.8 -21.5 84.5 64.4 55 290 A M H >< S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.3 11,-0.4 0.761 93.7 66.6 -61.2 -27.0 -23.6 82.2 62.2 56 291 A K T 3< S+ 0 0 58 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.734 100.9 49.2 -64.8 -24.8 -20.6 81.4 60.0 57 292 A E T < S+ 0 0 100 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.2 0.503 88.2 99.4 -95.0 -6.8 -19.0 79.6 63.0 58 293 A I < + 0 0 5 -3,-0.9 8,-0.4 -4,-0.4 2,-0.3 -0.740 38.3 158.5 -90.0 118.3 -22.0 77.5 63.9 59 294 A K + 0 0 166 -2,-0.6 5,-0.1 6,-0.1 6,-0.1 -0.788 19.7 123.9-142.3 96.0 -22.0 73.9 62.6 60 295 A H > - 0 0 27 3,-0.4 3,-1.9 -2,-0.3 55,-0.1 -0.979 61.7-123.8-152.6 139.0 -24.2 71.4 64.4 61 296 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.740 113.4 45.7 -53.3 -26.6 -26.9 69.0 63.2 62 297 A N T 3 S+ 0 0 15 49,-0.1 82,-2.8 81,-0.1 2,-0.4 0.098 98.5 79.1-112.1 20.9 -29.4 70.5 65.7 63 298 A L B < S-f 144 0B 1 -3,-1.9 -3,-0.4 80,-0.3 82,-0.2 -0.999 95.6 -98.6-124.1 132.3 -28.6 74.2 65.1 64 299 A V - 0 0 7 80,-1.8 2,-0.3 -2,-0.4 -2,-0.1 -0.229 45.5-124.3 -52.3 125.3 -30.2 75.9 62.0 65 300 A Q - 0 0 50 -4,-0.1 16,-1.8 1,-0.1 2,-0.2 -0.596 10.8-130.2 -85.3 130.0 -27.5 76.0 59.3 66 301 A L E - E 0 80A 3 -11,-0.4 14,-0.3 -8,-0.4 3,-0.1 -0.524 21.2-178.0 -68.3 139.1 -26.4 79.1 57.6 67 302 A L E - 0 0 52 12,-3.5 2,-0.3 1,-0.4 13,-0.2 0.663 58.6 -42.0-110.9 -28.4 -26.4 78.9 53.7 68 303 A G E - E 0 79A 0 11,-1.7 11,-2.9 -63,-0.0 -1,-0.4 -0.954 48.5-129.9 174.0 171.5 -25.0 82.3 52.8 69 304 A V E -aE 4 78A 0 -66,-2.1 -64,-2.8 -2,-0.3 2,-0.5 -0.962 7.2-150.0-139.5 154.5 -25.0 86.1 53.5 70 305 A C E + E 0 77A 7 7,-2.2 7,-1.6 -2,-0.3 -64,-0.1 -0.904 39.8 144.3-123.2 100.3 -25.3 89.4 51.6 71 306 A T + 0 0 41 -2,-0.5 5,-0.1 5,-0.2 -1,-0.1 0.301 43.9 85.0-124.0 5.2 -23.2 91.8 53.6 72 307 A R S S- 0 0 103 1,-0.3 4,-0.1 3,-0.1 -1,-0.0 0.962 103.3 -7.1 -75.3 -55.0 -21.6 94.2 51.0 73 308 A E S S- 0 0 86 2,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.991 94.9 -48.4-145.6 149.0 -24.4 96.7 50.6 74 309 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.262 104.1 58.8 -60.1 145.3 -28.0 97.1 51.7 75 310 A P S S- 0 0 54 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.379 82.7-156.1 -77.8 136.6 -30.4 95.3 51.7 76 311 A F - 0 0 19 -35,-0.4 -35,-0.6 -5,-0.1 2,-0.4 -0.603 7.7-160.7 -84.7 140.5 -28.5 92.8 53.9 77 312 A Y E -DE 40 70A 20 -7,-1.6 -7,-2.2 -2,-0.3 2,-0.4 -0.936 19.1-167.8-121.8 141.4 -29.4 89.1 53.9 78 313 A I E -DE 39 69A 0 -39,-1.9 -39,-2.7 -2,-0.4 2,-0.5 -0.976 22.7-161.0-120.7 116.4 -28.8 86.2 56.2 79 314 A I E +DE 38 68A 0 -11,-2.9 -12,-3.5 -2,-0.4 -11,-1.7 -0.866 17.5 163.3-107.2 122.6 -29.8 83.1 54.4 80 315 A T E -DE 37 66A 6 -43,-2.9 -43,-2.5 -2,-0.5 -14,-0.2 -0.799 43.7 -78.3-127.3 169.0 -30.5 79.8 56.3 81 316 A E E -D 36 0A 45 -16,-1.8 2,-0.5 -2,-0.3 -45,-0.2 -0.327 48.3-117.0 -61.0 149.8 -32.2 76.5 55.7 82 317 A F - 0 0 54 -47,-0.8 2,-0.8 -46,-0.1 -47,-0.1 -0.821 15.1-144.7 -95.4 130.4 -36.0 76.5 55.8 83 318 A M > - 0 0 16 -2,-0.5 3,-1.9 1,-0.1 53,-0.2 -0.846 11.9-155.8 -98.6 105.2 -37.6 74.3 58.5 84 319 A T T 3 S+ 0 0 72 -2,-0.8 53,-0.2 1,-0.3 -1,-0.1 0.724 84.9 48.1 -60.3 -31.9 -40.8 73.0 56.9 85 320 A Y T 3 S- 0 0 124 51,-1.9 -1,-0.3 1,-0.3 52,-0.2 0.331 98.8-139.6 -94.7 8.0 -42.9 72.3 60.0 86 321 A G < - 0 0 33 -3,-1.9 50,-3.2 50,-0.4 -1,-0.3 -0.374 52.2 -5.0 72.6-147.7 -42.3 75.7 61.7 87 322 A N B > -G 135 0B 6 48,-0.2 4,-2.0 1,-0.1 48,-0.3 -0.461 59.8-120.9 -88.7 157.2 -41.7 76.1 65.4 88 323 A L H > S+ 0 0 0 46,-2.6 4,-2.5 43,-1.0 44,-0.2 0.784 107.7 60.1 -63.5 -32.6 -41.9 73.4 68.2 89 324 A L H > S+ 0 0 26 42,-0.9 4,-1.9 45,-0.3 -1,-0.2 0.968 111.9 37.4 -61.1 -55.1 -44.6 75.2 70.2 90 325 A D H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.855 115.7 56.0 -63.5 -37.9 -47.1 75.1 67.3 91 326 A Y H X S+ 0 0 30 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.908 109.6 44.7 -61.4 -45.3 -45.9 71.6 66.3 92 327 A L H < S+ 0 0 1 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.865 114.0 50.0 -67.4 -38.5 -46.6 70.2 69.7 93 328 A R H < S+ 0 0 126 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.830 120.1 34.9 -68.5 -33.3 -50.0 71.9 70.0 94 329 A E H < S+ 0 0 153 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.442 95.3 116.4-102.6 -2.7 -51.2 70.7 66.6 95 330 A C S < S- 0 0 29 -4,-0.9 2,-0.8 -3,-0.2 -3,-0.1 -0.091 73.1-109.4 -73.4 163.1 -49.6 67.2 66.5 96 331 A N >> - 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0 0 5 -3,-2.0 -1,-0.2 -269,-0.2 -269,-0.1 -0.909 68.7-126.7-104.8 125.9 -55.6 78.0 87.3 477 444 B D >> - 0 0 89 -2,-0.5 3,-2.6 -271,-0.1 4,-0.5 -0.509 18.8-122.6 -71.0 135.9 -56.7 74.4 88.0 478 445 B P G >4 S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.772 110.7 62.6 -45.6 -35.2 -58.3 73.8 91.5 479 446 B S G 34 S+ 0 0 85 1,-0.2 4,-0.2 2,-0.1 -2,-0.0 0.608 102.8 49.8 -70.6 -13.3 -55.6 71.2 92.3 480 447 B Q G <> S+ 0 0 34 -3,-2.6 4,-1.5 2,-0.1 -1,-0.2 0.559 88.9 86.0 -98.2 -11.7 -52.8 73.8 92.0 481 448 B V H S+ 0 0 72 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.905 110.0 49.6 -56.7 -47.6 -53.2 75.3 97.7 483 450 B E H > S+ 0 0 73 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 111.8 49.6 -59.9 -41.4 -49.5 75.0 96.7 484 451 B L H <>S+ 0 0 2 -4,-1.5 5,-2.7 2,-0.2 3,-0.2 0.924 111.8 47.7 -62.3 -47.4 -49.7 78.5 95.2 485 452 B L H ><5S+ 0 0 1 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.891 108.8 54.6 -59.9 -42.5 -51.3 80.0 98.4 486 453 B E H 3<5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 106.5 51.9 -62.1 -31.4 -48.7 78.3 100.6 487 454 B K T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.093 127.4-101.7 -94.0 21.5 -46.0 80.0 98.5 488 455 B D T < 5 + 0 0 78 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.560 69.3 151.5 72.9 15.3 -47.7 83.4 99.1 489 456 B Y < + 0 0 17 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.601 16.2 173.1 -72.2 133.7 -49.4 83.7 95.7 490 457 B R - 0 0 17 -2,-0.3 16,-0.0 -278,-0.0 -5,-0.0 -0.966 39.0 -86.4-135.9 155.4 -52.7 85.8 95.8 491 458 B M - 0 0 4 -2,-0.3 -283,-0.0 1,-0.1 2,-0.0 -0.284 48.3-112.0 -58.5 142.4 -55.0 87.1 93.1 492 459 B E - 0 0 77 1,-0.1 -1,-0.1 0, 0.0 -280,-0.0 -0.291 41.9 -81.8 -70.7 159.1 -54.1 90.4 91.5 493 460 B R - 0 0 116 1,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.487 53.5-119.4 -61.0 122.9 -56.2 93.6 92.0 494 461 B P > - 0 0 10 0, 0.0 3,-1.9 0, 0.0 2,-0.2 -0.302 38.9 -84.1 -62.6 152.0 -59.1 93.4 89.5 495 462 B E T 3 S+ 0 0 197 1,-0.3 0, 0.0 -28,-0.0 0, 0.0 -0.398 116.4 10.9 -60.0 124.7 -59.3 96.2 86.9 496 463 B G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 -2,-0.2 -29,-0.0 0.341 91.0 139.1 88.4 -6.1 -61.1 99.2 88.4 497 464 B C < - 0 0 8 -3,-1.9 -1,-0.3 1,-0.1 2,-0.0 -0.583 58.1-115.5 -73.0 126.7 -61.0 97.8 91.9 498 465 B P >> - 0 0 70 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.357 18.7-124.2 -61.6 141.9 -60.2 100.6 94.5 499 466 B E H 3> S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.835 110.6 54.6 -57.5 -37.6 -56.9 100.1 96.3 500 467 B K H 3> S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.833 108.1 49.6 -67.5 -33.8 -58.6 100.2 99.8 501 468 B V H <> S+ 0 0 12 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.898 110.6 49.6 -69.4 -42.4 -61.0 97.4 98.7 502 469 B Y H X S+ 0 0 21 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.800 106.2 57.3 -66.9 -30.2 -58.0 95.3 97.5 503 470 B E H X S+ 0 0 93 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.891 108.4 45.8 -64.3 -41.7 -56.2 95.9 100.8 504 471 B L H X S+ 0 0 28 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.870 110.5 54.8 -66.4 -38.8 -59.2 94.4 102.6 505 472 B M H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.916 110.7 44.4 -58.0 -47.9 -59.2 91.6 100.1 506 473 B R H < S+ 0 0 107 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.803 110.5 54.6 -70.0 -32.0 -55.5 90.8 100.9 507 474 B A H >< S+ 0 0 29 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.884 105.9 52.9 -66.9 -40.4 -56.1 91.1 104.6 508 475 B C H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.780 105.5 57.4 -60.7 -29.8 -58.9 88.5 104.3 509 476 B W T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 -5,-0.1 2,-0.2 0.023 72.3 139.5 -97.4 26.2 -56.4 86.3 102.6 510 477 B Q < - 0 0 85 -3,-1.2 6,-0.1 1,-0.1 5,-0.1 -0.514 54.9-134.1 -67.3 135.8 -53.8 86.2 105.4 511 478 B W S S+ 0 0 93 -2,-0.2 -69,-0.3 -26,-0.1 -1,-0.1 0.942 94.5 62.6 -57.0 -52.9 -52.3 82.6 105.8 512 479 B N S > S- 0 0 74 1,-0.1 3,-1.8 -71,-0.1 4,-0.4 -0.679 81.4-145.4 -76.6 117.3 -52.7 82.7 109.6 513 480 B P G > S+ 0 0 37 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.769 97.0 61.8 -56.3 -29.7 -56.4 83.0 110.4 514 481 B S G 3 S+ 0 0 84 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.686 97.7 58.8 -71.3 -18.2 -55.7 85.1 113.5 515 482 B D G < S+ 0 0 100 -3,-1.8 -1,-0.2 -5,-0.1 -4,-0.1 0.532 87.5 96.3 -85.0 -9.8 -54.1 87.8 111.2 516 483 B R S < S- 0 0 5 -3,-1.1 -8,-0.2 -4,-0.4 -9,-0.1 -0.572 82.7-108.2 -80.5 144.8 -57.4 88.1 109.3 517 484 B P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.273 31.4-110.2 -67.8 157.7 -59.8 91.0 110.2 518 485 B S > - 0 0 26 1,-0.1 4,-2.1 -63,-0.0 5,-0.1 -0.423 26.0-113.9 -76.7 162.4 -63.1 90.4 112.0 519 486 B F H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -134,-0.3 0.781 119.4 61.5 -67.7 -26.9 -66.4 90.9 110.1 520 487 B A H > S+ 0 0 30 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 108.2 42.7 -60.6 -43.0 -67.0 93.8 112.6 521 488 B E H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.870 115.1 49.2 -70.5 -40.4 -63.8 95.4 111.2 522 489 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.924 111.0 49.7 -64.4 -47.1 -64.7 94.6 107.6 523 490 B H H X S+ 0 0 21 -4,-2.9 4,-2.5 -142,-0.3 -2,-0.2 0.887 110.0 50.9 -59.3 -43.3 -68.3 95.9 107.9 524 491 B Q H X S+ 0 0 108 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.893 111.0 49.0 -61.1 -42.9 -67.0 99.2 109.5 525 492 B A H X S+ 0 0 32 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.921 115.4 42.1 -63.9 -47.4 -64.5 99.7 106.6 526 493 B F H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.851 111.1 56.3 -70.6 -35.5 -67.1 99.1 103.9 527 494 B E H X S+ 0 0 59 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.927 109.2 47.6 -59.0 -46.6 -69.7 101.1 105.7 528 495 B T H X S+ 0 0 46 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 113.4 46.6 -59.4 -50.1 -67.3 104.1 105.7 529 496 B M H X S+ 0 0 34 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.900 113.2 49.4 -60.7 -44.0 -66.4 103.7 102.0 530 497 B F H >< S+ 0 0 66 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.923 111.7 48.3 -60.7 -47.5 -70.1 103.3 101.0 531 498 B Q H 3< S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 115.0 44.8 -63.4 -35.7 -71.1 106.5 103.0 532 499 B E H 3< S+ 0 0 157 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.558 95.3 110.3 -83.9 -9.8 -68.3 108.6 101.5 533 500 B S << - 0 0 40 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.0 -0.345 66.4-125.4 -78.0 145.0 -68.9 107.3 97.9 534 501 B S - 0 0 83 -2,-0.1 -163,-0.2 1,-0.1 -1,-0.1 -0.485 16.0-132.9 -74.0 154.8 -70.3 109.2 94.9 535 502 B I + 0 0 147 -2,-0.2 -166,-0.1 -164,-0.1 -1,-0.1 0.194 53.4 148.2 -96.4 15.6 -73.3 107.7 93.2 536 503 B S - 0 0 64 1,-0.1 -166,-0.4 -167,-0.0 -165,-0.4 -0.167 46.3-146.6 -54.7 139.1 -71.8 108.2 89.7 537 504 B D 0 0 100 -168,-0.1 -1,-0.1 -167,-0.1 -169,-0.1 0.290 360.0 360.0 -90.6 8.2 -72.6 105.6 87.0 538 505 B E 0 0 116 -169,-0.0 -168,-0.3 -172,-0.0 0, 0.0 0.452 360.0 360.0 -89.7 360.0 -69.2 105.9 85.4