==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-FEB-11 3QRJ . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.W.CHAN,S.C.WISE,M.D.KAUFMAN,Y.M.AHN,C.L.ENSINGER,T.HAACK,M . 523 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.8 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 . 71 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 . 2 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 . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 0 4 2 0 1 3 0 1 1 0 0 2 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 . 1 1 4 4 2 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 . 2 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 1 234 A K 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.6 -13.5 -10.5 21.0 2 235 A W + 0 0 70 64,-0.1 65,-2.0 2,-0.1 2,-0.2 0.692 360.0 107.3 -81.4 -23.8 -10.4 -10.8 23.2 3 236 A E B +a 67 0A 98 63,-0.2 2,-0.2 65,-0.0 65,-0.2 -0.388 47.5 178.9 -68.9 124.8 -12.6 -10.2 26.3 4 237 A M - 0 0 21 63,-2.8 2,-0.5 -2,-0.2 65,-0.3 -0.715 30.1-112.3-114.3 170.3 -13.1 -13.2 28.4 5 238 A E > - 0 0 94 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.922 20.4-134.7-106.6 127.4 -15.0 -13.8 31.6 6 239 A R G > S+ 0 0 33 -2,-0.5 3,-2.5 1,-0.3 -1,-0.1 0.883 102.8 59.5 -46.3 -47.1 -12.9 -14.7 34.7 7 240 A T G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.665 89.1 71.9 -67.9 -11.3 -15.2 -17.5 35.8 8 241 A D G < S+ 0 0 68 -3,-2.1 21,-1.7 20,-0.1 22,-0.4 0.514 95.0 68.1 -74.2 -6.3 -14.6 -19.3 32.5 9 242 A I E < S-B 28 0A 10 -3,-2.5 2,-0.5 19,-0.2 19,-0.2 -0.967 71.5-150.1-116.7 131.2 -11.0 -20.0 33.9 10 243 A T E -B 27 0A 69 17,-2.1 17,-2.5 -2,-0.4 2,-0.3 -0.893 22.8-141.9 -94.4 130.3 -10.1 -22.3 36.8 11 244 A M E +B 26 0A 60 -2,-0.5 15,-0.3 15,-0.2 2,-0.1 -0.693 30.1 159.6 -95.7 140.3 -6.9 -21.0 38.4 12 245 A K E - 0 0 83 13,-3.0 14,-0.1 -2,-0.3 -1,-0.1 -0.019 40.2 -1.3-131.5-122.2 -4.3 -23.4 39.7 13 246 A H E - 0 0 137 1,-0.1 12,-3.3 11,-0.1 2,-0.3 -0.321 63.3-103.3 -89.3 159.8 -0.6 -23.1 40.5 14 247 A K E -B 24 0A 83 10,-0.2 3,-0.4 1,-0.1 10,-0.2 -0.568 45.1-125.2 -69.5 130.6 2.0 -20.3 40.4 15 248 A L S > >S+ 0 0 35 8,-3.3 3,-1.3 -2,-0.3 5,-0.9 -0.380 79.0 24.8 -80.0 156.7 4.3 -20.8 37.4 16 249 A G G > 5S- 0 0 36 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.806 128.1 -63.6 69.2 35.7 8.1 -21.1 37.3 17 250 A G G 3 5S- 0 0 88 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.651 96.7 -65.6 59.8 12.5 8.6 -22.3 40.9 18 251 A G G < 5S+ 0 0 21 -3,-1.3 -1,-0.3 5,-0.1 3,-0.2 0.663 118.1 108.1 84.0 17.2 7.1 -18.9 41.7 19 252 A Q T < 5 + 0 0 114 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.339 63.0 71.0-102.4 7.9 10.0 -16.9 40.3 20 253 A Y S >> -BC 9 33A 49 5,-3.0 5,-1.7 -2,-0.4 3,-1.2 -0.640 26.4-155.2 -71.6 98.7 -10.3 -22.6 30.1 29 262 A K T 345S+ 0 0 117 -21,-1.7 3,-0.4 -2,-1.2 -1,-0.2 0.801 82.3 61.9 -58.1 -38.5 -13.0 -25.0 31.3 30 263 A K T 345S+ 0 0 173 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.863 119.2 26.7 -52.4 -42.4 -15.0 -25.0 28.0 31 264 A Y T <45S- 0 0 150 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.516 101.6-126.5 -99.9 -4.0 -12.2 -26.5 26.0 32 265 A S T <5 + 0 0 102 -4,-1.2 2,-0.5 -3,-0.4 -3,-0.2 0.886 61.9 153.8 51.3 44.5 -10.5 -28.3 29.0 33 266 A L E < -C 28 0A 81 -5,-1.7 -5,-3.0 0, 0.0 -1,-0.2 -0.887 47.4-129.1-115.1 121.3 -7.5 -26.4 27.8 34 267 A T E +C 27 0A 55 -2,-0.5 46,-0.8 -7,-0.3 2,-0.3 -0.517 34.6 176.9 -68.9 135.2 -4.6 -25.3 30.0 35 268 A V E -CD 26 79A 0 -9,-2.5 -9,-2.3 -2,-0.2 2,-0.4 -0.854 30.2-117.0-131.0 161.3 -3.7 -21.6 29.7 36 269 A A E -CD 25 78A 12 42,-3.6 42,-3.1 -2,-0.3 2,-0.5 -0.910 29.2-158.4-101.0 140.9 -1.3 -19.3 31.3 37 270 A V E -CD 24 77A 0 -13,-2.8 -13,-2.9 -2,-0.4 2,-0.5 -0.942 9.3-161.2-126.8 113.4 -2.8 -16.4 33.3 38 271 A K E -CD 23 76A 42 38,-3.9 38,-2.3 -2,-0.5 2,-0.2 -0.806 21.4-163.5 -85.5 128.7 -1.1 -13.2 34.2 39 272 A T E D 0 75A 22 -17,-3.1 -17,-0.2 -2,-0.5 36,-0.2 -0.684 360.0 360.0-117.2 158.9 -2.8 -11.4 37.0 40 273 A L 0 0 79 34,-1.0 -1,-0.2 -2,-0.2 35,-0.1 0.507 360.0 360.0-117.0 360.0 -2.8 -7.9 38.5 41 ! 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 42 279 A E >> 0 0 200 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -44.1 -0.8 0.0 38.2 43 280 A V H 3> + 0 0 51 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.677 360.0 70.0 -69.7 -18.2 -3.3 -1.1 35.6 44 281 A E H 3> S+ 0 0 63 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.821 104.2 41.1 -74.9 -33.2 -2.1 1.3 32.8 45 282 A E H <> S+ 0 0 132 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.907 115.2 53.5 -68.1 -48.1 1.2 -0.7 32.3 46 283 A F H >X S+ 0 0 13 -4,-1.3 4,-1.1 1,-0.2 3,-0.5 0.934 110.7 45.2 -55.2 -50.0 -0.8 -3.9 32.7 47 284 A L H 3X S+ 0 0 78 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.799 106.8 59.4 -61.6 -33.4 -3.3 -2.9 30.0 48 285 A K H 3X S+ 0 0 116 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.789 100.3 57.9 -68.6 -28.4 -0.5 -1.7 27.6 49 286 A E H X S+ 0 0 60 -4,-1.7 4,-0.8 1,-0.2 3,-0.6 0.945 109.9 46.5 -61.6 -52.4 -2.5 -4.1 23.6 52 289 A V H >< S+ 0 0 75 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.936 111.7 52.1 -47.4 -51.3 1.1 -5.0 22.4 53 290 A M H >< S+ 0 0 20 -4,-2.2 3,-1.0 1,-0.3 11,-0.6 0.721 98.3 65.1 -69.0 -18.7 0.3 -8.7 22.5 54 291 A K H << S+ 0 0 101 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.796 103.7 47.7 -71.5 -26.6 -2.9 -8.2 20.4 55 292 A E T << S+ 0 0 58 -3,-1.4 2,-0.6 -4,-0.8 -1,-0.2 0.145 93.6 95.5 -98.6 13.8 -0.6 -7.1 17.5 56 293 A I < + 0 0 16 -3,-1.0 2,-0.4 6,-0.0 8,-0.4 -0.925 40.1 155.3-110.7 113.0 1.8 -10.1 17.9 57 294 A K + 0 0 61 -2,-0.6 6,-0.1 6,-0.1 5,-0.1 -0.907 19.7 118.2-136.9 108.5 1.2 -13.2 15.7 58 295 A H > - 0 0 40 3,-0.4 3,-1.7 -2,-0.4 55,-0.0 -0.952 64.8-117.2-164.5 145.6 4.1 -15.6 14.9 59 296 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.774 114.6 46.2 -65.6 -16.6 4.6 -19.2 15.7 60 297 A N T 3 S+ 0 0 18 49,-0.1 82,-2.9 81,-0.1 2,-0.4 0.056 101.5 79.3-114.2 20.9 7.7 -18.5 17.8 61 298 A L B < S-f 142 0B 9 -3,-1.7 -3,-0.4 80,-0.3 82,-0.2 -0.967 93.8 -92.9-123.7 148.4 6.2 -15.7 19.8 62 299 A V - 0 0 20 80,-1.9 2,-0.6 -2,-0.4 -4,-0.1 -0.214 41.3-136.7 -59.2 143.3 3.9 -15.9 22.7 63 300 A Q - 0 0 63 16,-0.2 16,-2.3 -6,-0.1 -6,-0.1 -0.941 4.2-137.6-119.6 109.8 0.1 -15.8 21.7 64 301 A L E + E 0 78A 4 -11,-0.6 14,-0.2 -2,-0.6 3,-0.1 -0.318 19.4 179.6 -52.5 137.5 -2.6 -13.8 23.6 65 302 A L E - 0 0 53 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.633 58.0 -47.0-110.9 -30.1 -5.8 -15.7 24.0 66 303 A G E - E 0 77A 0 11,-1.6 11,-2.5 -62,-0.0 -1,-0.4 -0.985 45.4-123.1 178.4 177.5 -7.8 -13.1 25.9 67 304 A V E -aE 3 76A 6 -65,-2.0 -63,-2.8 -2,-0.3 2,-0.5 -0.981 7.1-147.0-141.6 155.0 -8.1 -10.5 28.7 68 305 A C E - E 0 75A 10 7,-2.5 7,-1.5 -2,-0.3 3,-0.2 -0.989 43.2-171.3-120.7 114.2 -10.3 -9.8 31.7 69 306 A T + 0 0 56 -2,-0.5 7,-0.0 -65,-0.3 -2,-0.0 -0.350 39.4 9.0-117.7-173.8 -10.4 -6.0 31.9 70 307 A R S S+ 0 0 211 -2,-0.1 -1,-0.1 -27,-0.1 4,-0.1 0.544 109.1 76.8 -2.3 43.7 -11.4 -2.7 33.9 71 308 A E S S- 0 0 53 -3,-0.2 -3,-0.1 2,-0.0 0, 0.0 -0.927 90.6 -81.8-152.1 138.3 -12.3 -4.9 36.9 72 309 A P S S+ 0 0 108 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.616 108.0 42.9 -84.0 154.3 -10.0 -6.6 39.4 73 310 A P S S- 0 0 89 0, 0.0 2,-0.4 0, 0.0 -67,-0.1 0.687 83.7-163.1 -62.9 143.9 -8.5 -9.2 39.2 74 311 A F - 0 0 20 -2,-0.1 -34,-1.0 -4,-0.1 2,-0.4 -0.792 6.6-155.8 -95.7 143.3 -7.5 -8.3 35.7 75 312 A Y E -DE 39 68A 30 -7,-1.5 -7,-2.5 -2,-0.4 2,-0.5 -0.965 21.8-165.6-122.4 142.3 -6.1 -11.2 33.6 76 313 A I E -DE 38 67A 2 -38,-2.3 -38,-3.9 -2,-0.4 2,-0.5 -0.999 24.2-157.9-112.3 122.8 -3.9 -11.6 30.6 77 314 A I E -DE 37 66A 0 -11,-2.5 -12,-3.2 -2,-0.5 -11,-1.6 -0.926 11.9-175.9-114.1 122.3 -4.5 -15.1 29.3 78 315 A I E -DE 36 64A 19 -42,-3.1 -42,-3.6 -2,-0.5 -14,-0.2 -0.863 36.4 -92.4-122.9 145.1 -1.8 -16.7 27.2 79 316 A E E -D 35 0A 75 -16,-2.3 -16,-0.2 -2,-0.3 -44,-0.2 -0.403 55.1-108.7 -53.8 133.2 -1.4 -20.0 25.3 80 317 A F - 0 0 41 -46,-0.8 2,-0.7 -2,-0.1 -1,-0.1 -0.389 22.3-158.1 -80.1 136.9 0.3 -22.5 27.7 81 318 A M > - 0 0 12 -2,-0.1 3,-1.6 1,-0.1 53,-0.3 -0.916 12.1-155.5-114.4 100.7 3.9 -23.7 27.1 82 319 A T T 3 S+ 0 0 66 -2,-0.7 53,-0.2 1,-0.3 -1,-0.1 0.769 83.8 49.1 -47.8 -44.2 4.1 -27.0 29.0 83 320 A Y T 3 S- 0 0 128 51,-1.6 -1,-0.3 1,-0.2 52,-0.2 0.488 95.7-146.3 -87.6 -2.3 7.8 -27.2 29.7 84 321 A G E < +G 134 0B 28 -3,-1.6 50,-2.5 50,-0.6 -1,-0.2 -0.291 51.5 8.0 76.3-156.6 8.3 -23.7 31.0 85 322 A N E > -G 133 0B 10 48,-0.2 4,-2.2 1,-0.1 48,-0.3 -0.258 62.0-130.5 -68.6 149.6 11.3 -21.5 30.7 86 323 A L H > S+ 0 0 0 46,-2.8 4,-2.6 43,-0.9 5,-0.2 0.843 102.0 58.8 -68.8 -35.7 14.2 -22.4 28.4 87 324 A L H > S+ 0 0 23 42,-0.9 4,-2.1 45,-0.3 -1,-0.2 0.968 112.4 37.5 -59.6 -54.6 16.9 -21.8 30.9 88 325 A D H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 114.4 58.6 -64.9 -35.7 15.6 -24.3 33.4 89 326 A Y H X S+ 0 0 36 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.899 108.3 44.0 -56.8 -48.3 14.6 -26.6 30.6 90 327 A L H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.914 113.1 53.0 -63.5 -45.0 18.2 -26.8 29.3 91 328 A R H < S+ 0 0 118 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.745 119.8 30.7 -63.0 -28.1 19.5 -27.2 32.8 92 329 A E H < S+ 0 0 159 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.365 94.5 117.0-113.7 2.7 17.3 -30.2 33.7 93 330 A C S < S- 0 0 22 -4,-0.9 2,-0.7 -3,-0.5 -3,-0.1 -0.186 72.8-109.7 -77.2 159.1 16.8 -31.9 30.3 94 331 A N > - 0 0 80 1,-0.1 4,-3.3 2,-0.0 3,-0.5 -0.845 29.4-152.4 -79.4 115.1 17.9 -35.4 29.1 95 332 A R T 4 S+ 0 0 143 -2,-0.7 5,-0.1 1,-0.3 -1,-0.1 0.573 91.1 60.0 -78.9 -10.3 20.7 -34.4 26.7 96 333 A Q T 4 S+ 0 0 173 3,-0.1 3,-0.4 1,-0.1 -1,-0.3 0.840 115.5 36.4 -74.1 -39.3 20.2 -37.6 24.5 97 334 A E T 4 S+ 0 0 124 -3,-0.5 2,-1.4 1,-0.2 -2,-0.2 0.918 121.9 45.3 -72.6 -49.7 16.6 -36.4 23.9 98 335 A V S < S+ 0 0 1 -4,-3.3 -1,-0.2 4,-0.1 2,-0.1 -0.611 91.7 159.5 -96.0 70.6 17.6 -32.7 23.8 99 336 A N >> - 0 0 58 -2,-1.4 4,-2.5 -3,-0.4 3,-0.7 -0.224 58.9 -79.9 -88.0 177.6 20.6 -33.3 21.6 100 337 A A H 3> S+ 0 0 73 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.782 128.3 55.6 -50.4 -34.6 22.6 -31.0 19.3 101 338 A V H 3> S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.909 110.0 45.9 -65.3 -40.5 20.0 -31.2 16.5 102 339 A V H <> S+ 0 0 22 -3,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.914 109.8 54.5 -72.7 -38.0 17.3 -30.1 18.9 103 340 A L H X S+ 0 0 18 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.919 110.5 47.0 -57.2 -43.1 19.6 -27.3 20.2 104 341 A L H X S+ 0 0 66 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 110.3 51.1 -63.6 -46.3 20.0 -26.0 16.6 105 342 A Y H X S+ 0 0 100 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 108.7 53.9 -58.0 -48.4 16.3 -26.2 16.0 106 343 A M H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.937 110.0 45.5 -44.3 -55.0 15.8 -24.2 19.2 107 344 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.862 110.9 53.8 -62.3 -35.6 18.2 -21.4 18.0 108 345 A T H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.901 107.1 51.6 -69.8 -42.1 16.6 -21.3 14.5 109 346 A Q H X S+ 0 0 7 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.917 109.9 48.2 -57.9 -47.8 13.1 -20.9 16.1 110 347 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.910 109.2 53.5 -61.9 -40.4 14.3 -17.9 18.2 111 348 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 142,-0.2 0.866 107.5 51.3 -67.3 -34.2 16.0 -16.2 15.2 112 349 A S H X S+ 0 0 19 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.915 110.5 49.7 -60.7 -44.2 12.7 -16.5 13.2 113 350 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.915 114.1 44.2 -62.5 -42.2 10.9 -14.9 16.2 114 351 A M H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.860 107.0 58.7 -76.1 -32.4 13.4 -12.1 16.3 115 352 A E H X S+ 0 0 50 -4,-2.5 4,-1.9 134,-0.3 -1,-0.2 0.907 108.6 48.4 -55.4 -40.5 13.4 -11.7 12.5 116 353 A Y H X S+ 0 0 28 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.892 110.9 47.8 -70.7 -42.3 9.7 -11.0 12.9 117 354 A L H <>S+ 0 0 9 -4,-1.9 5,-2.6 2,-0.2 -1,-0.2 0.860 109.3 55.0 -63.2 -34.8 10.2 -8.5 15.7 118 355 A E H ><5S+ 0 0 43 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.915 106.9 50.5 -63.1 -42.1 13.0 -6.8 13.6 119 356 A K H 3<5S+ 0 0 156 -4,-1.9 325,-0.2 1,-0.3 -1,-0.2 0.751 111.6 48.4 -66.1 -30.9 10.5 -6.4 10.8 120 357 A K T 3<5S- 0 0 79 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.270 112.3-120.9 -90.4 8.3 8.0 -4.8 13.2 121 358 A N T < 5 + 0 0 24 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.771 60.2 151.0 49.7 33.2 10.6 -2.4 14.6 122 359 A F < - 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0 0 15 -2,-0.4 16,-0.0 0, 0.0 0, 0.0 -0.947 43.0 -81.3-136.6 161.4 22.6 12.6 -4.4 486 458 B M - 0 0 1 -2,-0.3 2,-0.1 1,-0.1 -28,-0.0 -0.259 53.3-112.1 -54.3 144.9 20.8 15.9 -4.8 487 459 B E - 0 0 146 1,-0.1 -1,-0.1 -3,-0.0 -19,-0.1 -0.318 40.7 -79.8 -77.8 160.5 23.0 18.8 -5.1 488 460 B R - 0 0 114 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.432 51.6-126.9 -61.3 123.2 23.4 21.6 -2.5 489 461 B P > - 0 0 13 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.434 35.7 -82.5 -72.1 156.6 20.5 24.0 -2.9 490 462 B E T 3 S+ 0 0 179 1,-0.3 0, 0.0 -2,-0.1 0, 0.0 -0.312 114.3 11.9 -56.9 126.3 21.1 27.7 -3.3 491 463 B G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 -29,-0.0 0.450 90.6 131.3 87.1 -0.9 21.7 29.5 -0.0 492 464 B C < - 0 0 4 -3,-1.8 -1,-0.3 1,-0.0 -34,-0.0 -0.773 59.8-124.6 -84.0 121.8 22.1 26.3 2.0 493 465 B P >> - 0 0 76 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.292 18.3-115.6 -65.0 150.3 25.2 26.5 4.1 494 466 B E H 3> S+ 0 0 108 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.877 114.0 59.4 -51.3 -40.4 27.8 23.7 3.7 495 467 B K H 3> S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.893 108.6 43.9 -59.4 -38.0 27.3 22.5 7.3 496 468 B V H <> S+ 0 0 12 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.923 112.0 52.6 -74.0 -42.8 23.6 21.9 6.6 497 469 B Y H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 106.8 54.0 -60.2 -39.6 24.4 20.2 3.3 498 470 B E H X S+ 0 0 94 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.884 106.1 52.9 -56.8 -38.3 26.9 18.0 5.2 499 471 B L H X S+ 0 0 12 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.894 107.7 50.8 -65.7 -41.7 24.0 17.0 7.5 500 472 B M H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.912 109.5 50.1 -61.1 -43.5 21.9 16.0 4.5 501 473 B R H < S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 108.3 52.2 -68.5 -30.9 24.7 13.9 3.1 502 474 B A H >< S+ 0 0 31 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.903 108.8 52.2 -67.1 -38.8 25.1 12.1 6.4 503 475 B C H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.807 108.1 52.7 -65.3 -28.2 21.4 11.4 6.4 504 476 B W T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.016 74.0 142.8-103.7 29.2 21.7 9.9 2.9 505 477 B Q < - 0 0 80 -3,-1.2 6,-0.2 1,-0.1 -3,-0.1 -0.445 55.9-128.3 -64.0 137.8 24.4 7.5 3.7 506 478 B W S S+ 0 0 95 -2,-0.1 -69,-0.3 -26,-0.1 -1,-0.1 0.955 95.1 59.9 -55.8 -53.9 23.8 4.3 1.7 507 479 B N S > S- 0 0 69 1,-0.2 3,-1.6 -71,-0.1 4,-0.4 -0.641 79.6-143.4 -78.3 124.3 24.1 2.0 4.7 508 480 B P G > S+ 0 0 32 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.859 99.5 61.8 -55.8 -34.9 21.5 2.8 7.4 509 481 B S G 3 S+ 0 0 39 1,-0.3 -265,-0.1 -265,-0.1 -264,-0.1 0.780 99.8 56.2 -62.9 -23.2 24.0 2.0 10.1 510 482 B D G < S+ 0 0 97 -3,-1.6 -1,-0.3 -266,-0.1 -4,-0.1 0.571 88.3 93.7 -82.4 -14.1 26.2 4.8 8.9 511 483 B R S < S- 0 0 4 -3,-1.4 -8,-0.2 -4,-0.4 -9,-0.1 -0.518 85.0 -99.7 -81.0 153.6 23.5 7.5 9.1 512 484 B P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.312 30.6-116.4 -72.3 148.9 23.2 9.6 12.3 513 485 B S > - 0 0 20 1,-0.1 4,-1.8 -2,-0.0 5,-0.1 -0.408 31.4-110.1 -67.1 162.8 20.8 9.0 15.0 514 486 B F H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -134,-0.3 0.856 122.0 59.6 -64.0 -27.1 18.2 11.7 15.5 515 487 B A H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.961 108.1 43.6 -64.3 -44.0 20.0 12.4 18.8 516 488 B E H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.756 110.5 56.4 -71.1 -29.9 23.2 13.1 16.9 517 489 B I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.940 108.6 46.0 -65.8 -49.3 21.3 15.2 14.3 518 490 B H H X S+ 0 0 35 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 110.5 53.7 -58.9 -43.8 19.9 17.5 17.0 519 491 B Q H X S+ 0 0 89 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.878 103.6 56.9 -59.9 -36.0 23.4 17.7 18.5 520 492 B A H X S+ 0 0 26 -4,-1.6 4,-0.9 1,-0.2 3,-0.3 0.887 106.0 50.7 -58.5 -41.6 24.7 18.8 15.0 521 493 B F H >< S+ 0 0 21 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.919 107.6 53.5 -61.6 -41.1 22.3 21.6 15.1 522 494 B E H 3< S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.744 117.3 36.2 -63.6 -23.6 23.6 22.6 18.5 523 495 B T H 3< S+ 0 0 107 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.455 86.1 101.5-111.2 -2.9 27.1 22.8 17.4 524 496 B M << 0 0 55 -4,-0.9 -2,-0.1 -3,-0.6 -1,-0.1 0.794 360.0 360.0 -62.2 -39.2 26.7 24.2 13.8 525 497 B F 0 0 142 -4,-0.4 0, 0.0 -3,-0.1 0, 0.0 -0.271 360.0 360.0 -76.0 360.0 27.7 27.9 14.6