==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-AUG-06 2HZN . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.W.COWAN-JACOB,G.FENDRICH,J.LIEBETANZ,D.FABBRO,P.MANLEY . 272 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 65.8 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 . 35 12.9 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 . 1 0.4 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 29.8 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 0 1 1 0 1 1 1 0 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 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 225 A M 0 0 94 0, 0.0 7,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0-142.4 25.7 20.6 47.7 2 226 A D - 0 0 81 1,-0.1 3,-0.4 2,-0.0 6,-0.2 -0.920 360.0-148.8-113.7 116.1 22.2 21.9 47.6 3 227 A P S S+ 0 0 103 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.841 99.3 41.1 -47.3 -48.4 21.3 24.7 45.1 4 228 A S S S+ 0 0 104 3,-0.1 4,-0.1 2,-0.0 -2,-0.0 0.784 91.9 111.3 -71.6 -31.3 18.6 26.4 47.2 5 229 A S S > S- 0 0 41 -3,-0.4 3,-0.8 1,-0.1 0, 0.0 0.039 78.0-121.2 -44.2 151.9 20.7 26.0 50.3 6 230 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.759 108.2 45.9 -73.7 -25.2 22.1 29.3 51.7 7 231 A N T 3 S+ 0 0 92 -5,-0.1 -2,-0.1 2,-0.1 -3,-0.1 0.060 78.8 161.3-104.6 23.3 25.7 28.3 51.5 8 232 A Y < - 0 0 111 -3,-0.8 2,-0.4 -5,-0.2 3,-0.1 -0.169 13.8-178.2 -51.3 132.3 25.6 26.9 48.0 9 233 A D > - 0 0 29 3,-0.1 3,-0.8 1,-0.1 -2,-0.1 -0.968 21.3-154.6-133.8 119.6 29.0 26.7 46.4 10 234 A K T 3 S+ 0 0 153 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.887 94.6 55.3 -60.3 -38.2 29.3 25.4 42.9 11 235 A W T 3 S+ 0 0 53 65,-0.1 66,-3.0 -3,-0.1 2,-0.4 0.673 80.1 100.0 -71.7 -22.7 32.8 24.2 43.5 12 236 A E B < +a 77 0A 20 -3,-0.8 2,-0.3 64,-0.2 66,-0.2 -0.559 55.6 179.1 -71.2 124.5 32.2 22.0 46.5 13 237 A M - 0 0 33 64,-2.1 2,-0.4 -2,-0.4 -2,-0.1 -0.822 36.5 -75.9-127.1 164.5 32.0 18.4 45.4 14 238 A E > - 0 0 60 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.426 30.4-153.1 -63.1 117.0 31.6 15.0 46.8 15 239 A R G > S+ 0 0 68 -2,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.746 96.3 58.5 -63.7 -21.5 34.7 13.8 48.6 16 240 A T G 3 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.734 89.0 73.8 -77.4 -22.1 33.7 10.2 47.9 17 241 A D G < S+ 0 0 65 -3,-1.4 19,-1.3 1,-0.1 2,-0.6 0.541 89.2 72.8 -68.9 -6.5 33.7 10.9 44.1 18 242 A I E < S-B 35 0A 8 -3,-0.8 2,-1.7 -4,-0.2 17,-0.2 -0.921 72.5-148.8-119.6 114.7 37.5 11.0 44.3 19 243 A T E -B 34 0A 62 15,-1.3 15,-0.5 -2,-0.6 -3,-0.1 -0.528 25.7-149.3 -77.8 82.0 39.6 7.8 44.7 20 244 A M E +B 33 0A 54 -2,-1.7 13,-0.2 13,-0.2 2,-0.1 0.027 22.6 173.0 -47.2 158.9 42.6 9.2 46.6 21 245 A K E - 0 0 100 11,-0.8 2,-0.2 1,-0.3 -1,-0.1 -0.119 35.3 -39.0-135.8-127.0 45.9 7.5 46.0 22 246 A H E - 0 0 93 1,-0.1 10,-2.2 -2,-0.1 -1,-0.3 -0.592 69.7 -76.5-107.6 175.3 49.5 8.0 46.9 23 247 A K E -B 31 0A 103 8,-0.2 2,-1.1 -2,-0.2 8,-0.3 -0.423 17.1-144.0 -77.8 145.4 51.6 11.2 47.1 24 248 A L - 0 0 58 6,-2.8 6,-0.4 -2,-0.2 -1,-0.1 -0.899 60.9 -96.9-100.4 86.8 52.9 13.2 44.2 25 249 A G 0 0 78 -2,-1.1 4,-0.1 4,-0.1 6,-0.1 0.265 360.0 360.0 -12.7 102.8 56.0 14.0 46.3 26 250 A G 0 0 45 2,-0.1 3,-0.1 4,-0.0 -1,-0.1 -0.519 360.0 360.0-109.8 360.0 55.4 17.4 47.8 27 ! 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 28 254 A G 0 0 56 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-139.8 51.2 21.0 52.4 29 255 A E E - C 0 46A 55 17,-1.2 17,-2.9 -3,-0.1 2,-0.5 -0.919 360.0-163.4-157.2 131.5 50.6 17.7 50.4 30 256 A V E - C 0 45A 19 -6,-0.4 -6,-2.8 -2,-0.3 15,-0.3 -0.940 12.1-174.8-114.5 123.9 49.3 16.8 46.9 31 257 A Y E -BC 23 44A 65 13,-2.2 13,-2.0 -2,-0.5 2,-0.4 -0.495 30.3-110.0-103.3 177.3 48.3 13.3 46.1 32 258 A E E - C 0 43A 34 -10,-2.2 -11,-0.8 11,-0.2 2,-0.3 -0.849 43.7-179.3-104.1 146.1 47.2 12.0 42.8 33 259 A G E -BC 20 42A 0 9,-2.7 9,-4.3 -2,-0.4 2,-0.4 -0.944 24.7-131.1-142.6 165.8 43.5 11.1 42.5 34 260 A V E -BC 19 41A 34 -15,-0.5 -15,-1.3 -2,-0.3 2,-0.8 -0.893 11.8-143.5-115.6 147.1 40.9 9.7 40.2 35 261 A W E >>> -BC 18 40A 48 5,-1.7 3,-1.9 -2,-0.4 5,-1.4 -0.913 16.8-161.4-109.1 92.7 37.6 11.3 39.7 36 262 A K G >45S+ 0 0 92 -19,-1.3 3,-1.2 -2,-0.8 -1,-0.2 0.870 82.9 66.5 -41.8 -50.3 35.6 8.1 39.2 37 263 A K G 345S+ 0 0 100 -20,-0.5 -1,-0.3 1,-0.3 -19,-0.1 0.768 121.3 18.8 -43.0 -36.7 32.6 9.9 37.6 38 264 A Y G <45S- 0 0 78 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.255 99.4-121.4-123.1 9.5 34.9 10.7 34.6 39 265 A S T <<5 + 0 0 106 -3,-1.2 2,-0.5 -4,-0.9 -3,-0.2 0.818 64.5 148.8 52.8 33.8 37.8 8.2 34.9 40 266 A L E < -C 35 0A 77 -5,-1.4 -5,-1.7 49,-0.0 -1,-0.2 -0.874 47.9-134.1-108.7 125.0 40.1 11.2 35.1 41 267 A T E +C 34 0A 51 -2,-0.5 49,-0.8 -7,-0.2 -7,-0.3 -0.478 37.0 176.9 -71.7 137.7 43.3 11.3 37.0 42 268 A V E -CD 33 89A 0 -9,-4.3 -9,-2.7 47,-0.2 2,-0.5 -0.863 32.8-105.8-141.3 171.0 43.6 14.6 39.0 43 269 A A E -CD 32 88A 16 45,-3.5 45,-2.4 -2,-0.3 2,-0.5 -0.899 29.2-168.2-102.2 127.3 45.7 16.6 41.5 44 270 A V E -CD 31 87A 0 -13,-2.0 -13,-2.2 -2,-0.5 2,-0.5 -0.979 2.4-164.5-121.5 118.8 44.4 16.8 45.0 45 271 A K E +C 30 0A 30 41,-2.2 41,-0.4 -2,-0.5 -15,-0.2 -0.900 17.3 178.3 -99.4 131.5 46.0 19.3 47.4 46 272 A T E C 29 0A 12 -17,-2.9 -17,-1.2 -2,-0.5 39,-0.2 -0.747 360.0 360.0-129.5 175.0 45.3 18.8 51.0 47 273 A L 0 0 65 37,-0.8 6,-0.0 -2,-0.2 -1,-0.0 -0.523 360.0 360.0 -96.7 360.0 46.1 20.3 54.5 48 ! 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 49 276 A D 0 0 214 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.3 45.4 20.2 62.7 50 277 A T - 0 0 73 0, 0.0 3,-0.5 0, 0.0 -3,-0.0 -0.928 360.0-118.0-135.8 158.8 47.6 22.9 61.0 51 278 A M S S+ 0 0 170 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.121 96.0 60.8 -85.5 19.3 48.4 26.6 61.4 52 279 A E > + 0 0 79 1,-0.1 4,-2.3 2,-0.1 3,-0.4 -0.070 50.4 126.5-138.3 41.3 47.2 28.0 58.1 53 280 A V H > S+ 0 0 48 -3,-0.5 4,-2.0 1,-0.2 5,-0.4 0.958 78.1 54.9 -64.7 -43.6 43.5 27.4 57.5 54 281 A E H 4 S+ 0 0 88 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.778 113.3 47.7 -54.9 -27.8 42.7 31.1 56.8 55 282 A E H > S+ 0 0 109 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.856 108.2 50.0 -84.4 -42.5 45.4 30.7 54.2 56 283 A F H >X S+ 0 0 15 -4,-2.3 4,-2.4 2,-0.2 3,-0.8 0.988 111.9 46.7 -58.5 -62.5 44.3 27.4 52.5 57 284 A L H 3X S+ 0 0 64 -4,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.765 108.9 59.3 -53.3 -24.7 40.6 28.5 52.1 58 285 A K H 3> S+ 0 0 125 -5,-0.4 4,-2.6 -4,-0.3 -1,-0.3 0.919 105.2 46.7 -70.3 -44.3 42.1 31.8 50.7 59 286 A E H X S+ 0 0 43 -4,-2.6 3,-3.1 1,-0.2 4,-1.0 0.954 105.9 56.1 -57.0 -56.7 41.3 32.7 44.7 63 290 A M H 3< S+ 0 0 29 -4,-2.8 11,-0.3 -3,-0.3 -1,-0.2 0.757 100.5 61.6 -48.0 -27.9 41.4 29.7 42.4 64 291 A K T 3< S+ 0 0 45 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.675 104.6 48.3 -75.3 -17.6 37.7 30.2 42.1 65 292 A E T <4 S+ 0 0 138 -3,-3.1 2,-0.4 -4,-0.4 -2,-0.2 0.631 99.2 77.7 -96.6 -20.2 38.2 33.6 40.5 66 293 A I < + 0 0 31 -4,-1.0 2,-0.3 -3,-0.2 8,-0.3 -0.794 46.4 164.2-103.2 136.4 40.9 32.7 37.9 67 294 A K + 0 0 152 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.966 14.5 130.6-150.0 127.4 40.5 31.0 34.6 68 295 A H > - 0 0 36 -2,-0.3 3,-1.6 3,-0.3 55,-0.1 -0.912 58.9-113.3-173.2 146.6 42.9 30.8 31.6 69 296 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.819 116.2 47.1 -61.1 -26.8 44.3 28.2 29.3 70 297 A N T 3 S+ 0 0 18 49,-0.1 82,-2.2 81,-0.1 2,-0.3 -0.010 97.4 79.0-107.9 31.8 47.8 28.7 30.8 71 298 A L B < S-f 152 0B 13 -3,-1.6 -3,-0.3 80,-0.3 82,-0.2 -0.990 95.4 -93.9-132.0 136.8 47.0 28.6 34.5 72 299 A V - 0 0 30 80,-2.2 2,-0.6 -2,-0.3 -2,-0.1 -0.269 47.7-122.9 -54.7 133.7 46.4 25.3 36.4 73 300 A Q - 0 0 37 -4,-0.1 16,-2.3 -6,-0.1 2,-0.4 -0.762 10.9-141.2 -93.3 122.6 42.7 24.6 36.4 74 301 A L E - E 0 88A 3 -2,-0.6 14,-0.3 -11,-0.3 3,-0.1 -0.584 15.8-176.4 -75.9 125.4 40.7 24.1 39.6 75 302 A L E - 0 0 51 12,-4.1 2,-0.3 1,-0.4 13,-0.2 0.764 59.2 -52.2 -94.0 -30.4 38.1 21.4 39.1 76 303 A G E - E 0 87A 1 11,-1.8 11,-2.5 -63,-0.0 -1,-0.4 -0.964 51.3-122.3 173.7-179.7 36.4 21.6 42.6 77 304 A V E -aE 12 86A 0 -66,-3.0 -64,-2.1 -2,-0.3 9,-0.2 -0.674 7.2-144.3-136.1-171.7 37.0 21.7 46.3 78 305 A C E + E 0 85A 4 7,-1.0 7,-2.3 -2,-0.2 -66,-0.1 -0.608 50.3 128.1-158.8 76.1 36.1 20.1 49.6 79 306 A T + 0 0 17 5,-0.2 5,-0.1 -2,-0.1 -67,-0.1 0.018 51.0 83.3-127.9 26.3 36.0 22.8 52.2 80 307 A R S S+ 0 0 105 1,-0.4 4,-0.1 -3,-0.0 -2,-0.0 0.856 108.5 11.8 -90.3 -48.3 32.6 22.1 53.8 81 308 A E S S- 0 0 135 2,-0.2 -1,-0.4 0, 0.0 0, 0.0 -0.997 100.0 -81.8-133.8 128.8 34.0 19.4 56.1 82 309 A P S S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.087 93.1 76.1 -59.0 164.6 37.6 18.6 56.8 83 310 A P S S- 0 0 70 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 0.540 88.5-125.9 -74.8 146.7 40.1 17.3 55.9 84 311 A F - 0 0 32 -2,-0.1 -37,-0.8 -5,-0.1 2,-0.2 -0.421 30.5-171.2 -71.9 126.4 40.4 20.2 53.4 85 312 A Y E - E 0 78A 26 -7,-2.3 -7,-1.0 -2,-0.2 2,-0.2 -0.650 16.4-169.5-110.3 170.1 40.7 19.3 49.7 86 313 A I E - E 0 77A 1 -41,-0.4 -41,-2.2 -9,-0.2 2,-0.6 -0.717 14.3-157.8-163.6 102.4 41.5 21.2 46.5 87 314 A I E +DE 44 76A 0 -11,-2.5 -12,-4.1 -2,-0.2 -11,-1.8 -0.797 19.2 161.0-100.6 123.4 41.0 19.5 43.1 88 315 A T E -DE 43 74A 16 -45,-2.4 -45,-3.5 -2,-0.6 -14,-0.2 -0.891 46.6 -83.5-128.6 159.2 42.8 20.6 39.9 89 316 A E E -D 42 0A 47 -16,-2.3 2,-0.2 -2,-0.3 -47,-0.2 -0.148 49.4-111.9 -55.5 157.2 43.5 18.8 36.6 90 317 A F - 0 0 49 -49,-0.8 2,-0.5 -48,-0.1 -1,-0.1 -0.628 16.2-149.9 -93.4 150.9 46.6 16.6 36.5 91 318 A M > - 0 0 11 -2,-0.2 3,-3.3 1,-0.1 53,-0.3 -0.846 8.2-155.7-125.2 85.6 49.6 17.6 34.4 92 319 A T T 3 S+ 0 0 94 -2,-0.5 53,-0.2 1,-0.3 -1,-0.1 0.716 88.3 57.2 -30.6 -41.2 51.1 14.3 33.4 93 320 A Y T 3 S- 0 0 95 51,-2.0 -1,-0.3 1,-0.2 6,-0.2 0.477 94.8-147.7 -82.9 2.0 54.6 15.8 32.9 94 321 A G < - 0 0 33 -3,-3.3 50,-2.8 50,-0.4 2,-0.3 -0.412 52.4 -0.5 72.7-144.0 54.9 17.2 36.4 95 322 A N B >> -G 143 0B 35 48,-0.3 4,-2.0 -2,-0.1 3,-0.6 -0.660 61.8-124.4 -94.4 141.5 56.8 20.4 37.0 96 323 A L H 3> S+ 0 0 0 46,-3.5 4,-2.5 -2,-0.3 44,-0.2 0.721 103.9 56.0 -47.1 -36.4 58.6 22.5 34.4 97 324 A L H 3> S+ 0 0 25 42,-1.0 4,-0.5 45,-0.3 -1,-0.2 0.937 111.1 39.6 -70.8 -47.7 62.0 22.4 36.1 98 325 A D H X> S+ 0 0 67 -3,-0.6 3,-3.6 2,-0.2 4,-1.6 0.995 114.5 57.1 -62.2 -53.8 62.5 18.7 36.3 99 326 A Y H >X S+ 0 0 23 -4,-2.0 3,-1.3 1,-0.3 4,-0.7 0.880 105.2 49.4 -37.8 -60.9 61.0 18.4 32.8 100 327 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.668 113.6 49.1 -54.2 -21.4 63.6 20.7 31.4 101 328 A R H << S+ 0 0 119 -3,-3.6 -1,-0.3 -4,-0.5 -2,-0.2 0.670 119.2 34.6 -96.5 -18.5 66.2 18.6 33.1 102 329 A E H << S+ 0 0 149 -4,-1.6 -2,-0.2 -3,-1.3 -3,-0.2 0.115 93.6 112.1-122.3 23.0 64.9 15.2 31.9 103 330 A C S < S- 0 0 27 -4,-0.7 2,-0.9 -5,-0.2 -3,-0.0 -0.446 75.1-106.8 -93.2 168.7 63.7 16.0 28.4 104 331 A N > - 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0 0 2 -2,-0.3 4,-2.2 8,-0.1 5,-0.2 -0.259 22.4-107.6 -73.5 163.7 63.4 41.1 42.9 181 408 A P H >> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-0.7 0.965 116.3 47.5 -50.9 -72.0 65.5 43.9 44.4 182 409 A E H 3> S+ 0 0 21 69,-0.3 4,-2.0 1,-0.2 6,-1.0 0.793 114.2 50.4 -42.4 -36.3 62.6 46.0 45.8 183 410 A S H 3> S+ 0 0 3 4,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.886 109.9 47.1 -78.5 -33.1 61.1 42.9 47.3 184 411 A L H << S+ 0 0 26 -4,-2.2 -2,-0.2 -3,-0.7 -1,-0.2 0.888 123.5 36.1 -69.8 -37.5 64.3 41.6 49.0 185 412 A A H < S+ 0 0 42 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.660 136.8 13.0 -92.6 -21.4 64.9 45.1 50.4 186 413 A Y H < S- 0 0 142 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.356 91.4-115.9-135.7 1.4 61.4 46.4 51.2 187 414 A N < + 0 0 92 -4,-1.3 2,-0.8 -5,-0.3 -4,-0.2 0.906 62.1 155.3 57.9 38.2 59.0 43.5 51.0 188 415 A K - 0 0 129 -6,-1.0 2,-0.5 -7,-0.1 -1,-0.2 -0.890 18.9-178.1-100.9 104.1 57.4 45.3 48.1 189 416 A F + 0 0 38 -2,-0.8 2,-0.3 -3,-0.1 -56,-0.1 -0.920 13.9 147.7-107.0 127.1 55.7 42.7 45.8 190 417 A S >> - 0 0 39 -2,-0.5 4,-1.8 1,-0.0 3,-0.9 -0.834 65.6 -89.5-141.4-177.1 54.0 43.9 42.6 191 418 A I H 3> S+ 0 0 34 1,-0.3 4,-1.9 -2,-0.3 5,-0.1 0.887 129.0 59.9 -67.6 -27.3 53.3 42.6 39.2 192 419 A K H 3> S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.727 100.3 54.5 -68.9 -23.5 56.6 44.2 38.4 193 420 A S H <> S+ 0 0 6 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.927 106.7 50.0 -78.5 -40.5 58.2 41.9 40.9 194 421 A D H X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.848 104.7 59.0 -61.0 -37.0 56.7 38.9 39.1 195 422 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.953 104.2 51.6 -59.3 -48.0 58.1 40.3 35.8 196 423 A W H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.956 110.6 46.3 -47.8 -61.9 61.6 40.1 37.4 197 424 A A H X S+ 0 0 7 -4,-1.9 4,-3.1 1,-0.2 -1,-0.2 0.803 108.0 58.0 -53.1 -34.8 61.0 36.5 38.4 198 425 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.959 101.8 55.5 -60.7 -50.6 59.7 35.8 34.9 199 426 A G H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.870 110.9 44.0 -48.6 -41.1 63.0 37.0 33.6 200 427 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.939 109.5 54.8 -72.3 -47.8 64.7 34.4 35.8 201 428 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.862 104.4 57.1 -51.6 -35.8 62.3 31.7 34.8 202 429 A L H >X S+ 0 0 5 -4,-2.8 4,-2.9 1,-0.2 3,-0.9 0.991 106.1 49.3 -57.1 -60.2 63.2 32.5 31.2 203 430 A W H 3X S+ 0 0 13 -4,-1.7 4,-1.7 1,-0.3 6,-0.3 0.851 106.0 55.2 -44.5 -44.9 66.8 31.8 32.1 204 431 A E H 3<>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 6,-0.6 0.950 112.6 44.8 -57.8 -39.3 65.7 28.6 33.7 205 432 A I H X<5S+ 0 0 6 -4,-2.3 3,-2.0 -3,-0.9 -2,-0.2 0.943 107.2 55.7 -69.4 -50.2 64.1 27.7 30.3 206 433 A A H 3<5S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 112.9 44.7 -52.6 -32.0 67.1 28.8 28.2 207 434 A T T 3<5S- 0 0 15 -4,-1.7 -1,-0.3 -5,-0.3 3,-0.2 -0.028 112.6-111.4-105.3 25.7 69.3 26.4 30.2 208 435 A Y T < 5S- 0 0 32 -3,-2.0 -3,-0.2 1,-0.2 -105,-0.2 0.676 87.3 -38.2 52.4 20.3 67.1 23.4 30.3 209 436 A G S > - 0 0 59 -3,-0.1 3,-1.9 1,-0.1 4,-0.8 -0.799 19.3-116.1 -95.8 143.7 75.8 32.4 47.5 218 445 A L H >> S+ 0 0 25 -2,-0.4 3,-1.5 1,-0.3 4,-0.6 0.869 108.2 64.7 -43.9 -52.7 72.4 33.9 48.4 219 446 A S H 34 S+ 0 0 92 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.730 106.1 42.8 -47.6 -29.7 74.0 36.6 50.7 220 447 A Q H <> S+ 0 0 112 -3,-1.9 4,-2.0 1,-0.1 -1,-0.3 0.632 87.2 90.1-100.1 -8.9 75.8 38.3 47.9 221 448 A V H S+ 0 0 113 -4,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.917 111.5 44.9 -43.1 -57.3 74.9 43.4 46.4 224 451 A L H ><>S+ 0 0 64 -4,-2.0 3,-1.2 1,-0.2 5,-0.6 0.973 114.2 47.0 -53.5 -60.9 75.8 42.4 42.8 225 452 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.857 103.5 69.9 -52.7 -32.2 72.4 43.2 41.4 226 453 A E H 3<5S+ 0 0 69 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.879 105.2 35.1 -51.8 -50.7 72.8 46.5 43.3 227 454 A K T <<5S- 0 0 173 -4,-1.2 -1,-0.3 -3,-1.2 -2,-0.2 0.172 132.9 -86.2 -94.2 16.8 75.5 47.9 41.1 228 455 A D T < 5S+ 0 0 113 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.950 71.4 149.9 80.8 60.4 74.1 46.3 38.0 229 456 A Y < + 0 0 101 -5,-0.6 2,-0.3 -6,-0.1 -1,-0.2 -0.903 17.4 175.7-115.1 148.2 75.3 42.7 37.6 230 457 A R - 0 0 25 -2,-0.3 16,-0.0 -6,-0.0 0, 0.0 -0.974 38.4 -82.2-148.2 160.5 73.2 40.1 35.8 231 458 A M - 0 0 7 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 -0.170 54.1-116.5 -54.8 154.9 73.2 36.5 34.6 232 459 A E - 0 0 147 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.733 40.8 -77.6 -95.5 155.6 74.9 36.2 31.2 233 460 A R - 0 0 115 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.191 54.3-122.2 -50.5 130.4 73.1 35.0 28.0 234 461 A P > - 0 0 11 0, 0.0 3,-2.1 0, 0.0 2,-0.2 -0.527 35.4 -85.3 -81.5 147.4 72.7 31.2 28.1 235 462 A E T 3 S+ 0 0 101 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 -0.298 115.7 12.8 -54.4 115.2 74.1 29.0 25.4 236 463 A G T 3 S+ 0 0 71 1,-0.4 -1,-0.3 -2,-0.2 -29,-0.1 0.021 90.4 134.3 107.1 -25.8 71.6 28.8 22.5 237 464 A C < - 0 0 10 -3,-2.1 -1,-0.4 1,-0.1 -34,-0.0 -0.374 59.7-116.8 -63.0 128.7 69.4 31.6 23.8 238 465 A P > - 0 0 59 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.255 18.5-118.8 -62.4 152.9 68.4 34.0 21.0 239 466 A E H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.840 113.8 52.8 -60.8 -37.3 69.6 37.6 21.3 240 467 A K H > S+ 0 0 129 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.811 107.7 50.2 -71.9 -30.3 66.0 38.8 21.3 241 468 A V H >> S+ 0 0 12 -3,-0.2 4,-1.8 2,-0.2 3,-0.5 0.974 113.0 46.6 -69.0 -54.2 65.0 36.5 24.2 242 469 A Y H 3X S+ 0 0 30 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.896 105.8 56.7 -53.9 -49.1 68.0 37.6 26.2 243 470 A E H 3X S+ 0 0 106 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.896 107.6 54.2 -50.9 -36.0 67.4 41.3 25.6 244 471 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 3,-0.8 0.923 108.8 52.8 -47.5 -51.5 65.4 39.0 30.3 246 473 A R H 3< S+ 0 0 100 -4,-2.3 3,-0.4 1,-0.3 4,-0.3 0.931 105.2 53.0 -52.4 -50.3 67.5 42.1 30.8 247 474 A A H >< S+ 0 0 32 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.805 110.2 49.2 -56.1 -30.8 64.5 44.4 30.4 248 475 A C H << S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.8 -2,-0.2 0.813 107.5 56.7 -74.9 -35.1 62.7 42.3 33.1 249 476 A W T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.306 74.1 136.7 -84.1 10.2 65.8 42.6 35.3 250 477 A Q < - 0 0 85 -3,-0.7 6,-0.2 -4,-0.3 5,-0.1 -0.291 60.3-128.7 -57.5 138.2 65.9 46.4 35.4 251 478 A W S S+ 0 0 85 1,-0.1 -69,-0.3 -26,-0.1 -1,-0.1 0.812 95.3 67.0 -59.4 -31.6 66.6 47.7 38.9 252 479 A N S >> S- 0 0 71 1,-0.2 3,-3.0 -71,-0.1 4,-1.0 -0.829 74.0-151.8 -99.4 113.3 63.6 50.1 38.7 253 480 A P T 34 S+ 0 0 33 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.850 95.7 60.4 -45.4 -46.9 60.3 48.2 38.6 254 481 A S T 34 S+ 0 0 85 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.607 102.0 56.2 -61.5 -11.5 58.6 51.0 36.6 255 482 A D T <4 S+ 0 0 95 -3,-3.0 -1,-0.2 -5,-0.1 -4,-0.1 0.866 83.8 98.0 -88.0 -38.0 61.2 50.4 33.9 256 483 A R S < S- 0 0 2 -4,-1.0 -8,-0.2 -3,-0.5 2,-0.1 -0.100 82.9-109.8 -50.1 139.2 60.4 46.7 33.5 257 484 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.407 33.8-107.2 -71.8 153.3 58.0 46.0 30.5 258 485 A S > - 0 0 28 1,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.335 23.8-115.4 -73.8 162.1 54.5 44.8 31.2 259 486 A F H > S+ 0 0 1 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.917 119.4 62.3 -65.2 -36.3 53.5 41.3 30.6 260 487 A A H > S+ 0 0 32 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.920 110.5 40.6 -52.2 -39.8 51.1 42.6 28.0 261 488 A E H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.860 112.8 54.0 -76.1 -37.7 54.4 43.8 26.3 262 489 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.912 111.6 44.3 -66.6 -39.0 56.3 40.7 27.1 263 490 A H H X S+ 0 0 36 -4,-3.5 4,-2.8 -142,-0.2 -1,-0.2 0.875 109.4 56.5 -72.4 -38.0 53.6 38.5 25.5 264 491 A Q H X S+ 0 0 142 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.2 0.853 108.3 49.1 -61.5 -33.0 53.3 40.8 22.5 265 492 A A H X S+ 0 0 33 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.880 111.9 47.2 -76.0 -38.0 57.1 40.3 21.9 266 493 A F H >X S+ 0 0 0 -4,-1.6 4,-3.5 2,-0.2 3,-0.9 0.973 105.5 57.5 -67.6 -50.8 56.9 36.6 22.2 267 494 A E H 3X S+ 0 0 77 -4,-2.8 4,-2.4 1,-0.3 5,-0.3 0.900 109.2 47.7 -41.3 -51.1 53.9 36.2 19.8 268 495 A T H 3X S+ 0 0 75 -4,-1.4 4,-1.3 1,-0.2 -1,-0.3 0.817 116.6 43.2 -62.4 -34.5 56.0 38.0 17.2 269 496 A M H < S+ 0 0 99 -4,-2.4 3,-1.1 -5,-0.4 -2,-0.2 0.907 108.4 54.1 -77.8 -35.2 55.3 33.3 14.8 272 499 A E H 3< S+ 0 0 151 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.731 111.8 45.7 -68.2 -20.1 58.5 34.2 13.1 273 500 A S T 3< 0 0 61 -4,-0.9 -1,-0.2 -162,-0.1 -2,-0.2 0.418 360.0 360.0-105.0 1.7 60.0 30.9 14.0 274 501 A S < 0 0 96 -3,-1.1 -3,-0.1 -4,-0.3 -4,-0.0 -0.449 360.0 360.0-168.0 360.0 57.0 28.6 13.1