==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-NOV-11 4A9T . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MATIJSSEN,M.C.SILVA-SANTISTEBAN,I.M.WESTWOOD,S.SIDDIQUE,V. . 289 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 3 1 0 0 1 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 1 209 A M 0 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.6 4.1 -67.3 -5.8 2 210 A S - 0 0 99 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.906 360.0-133.5-143.9 171.9 7.8 -66.7 -5.2 3 211 A V - 0 0 128 -2,-0.3 3,-0.1 0, 0.0 0, 0.0 -0.878 31.9 -98.0-123.6 163.0 10.6 -67.5 -2.6 4 212 A Y - 0 0 63 -2,-0.3 10,-0.0 1,-0.1 5,-0.0 -0.478 53.2 -90.4 -74.2 151.3 13.2 -65.3 -1.0 5 213 A P > - 0 0 25 0, 0.0 4,-2.5 0, 0.0 3,-0.4 -0.313 30.2-123.1 -64.9 147.8 16.7 -65.5 -2.6 6 214 A K H > S+ 0 0 167 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.884 111.1 56.0 -58.0 -40.9 19.0 -68.2 -1.1 7 215 A A H > S+ 0 0 57 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.854 110.4 45.2 -62.5 -36.9 21.7 -65.6 -0.3 8 216 A L H >> S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 3,-1.3 0.943 111.8 50.5 -68.2 -50.9 19.2 -63.5 1.7 9 217 A R H 3< S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.756 101.4 66.2 -59.4 -25.7 17.7 -66.6 3.5 10 218 A D H 3< S+ 0 0 120 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.833 116.2 23.5 -66.1 -33.0 21.3 -67.5 4.4 11 219 A E H << S+ 0 0 76 -3,-1.3 19,-2.7 -4,-0.6 20,-0.4 0.610 123.8 43.7-107.5 -20.6 21.8 -64.5 6.7 12 220 A Y E < -A 29 0A 3 -4,-2.1 2,-0.6 17,-0.2 17,-0.2 -0.932 59.8-140.7-135.3 152.8 18.2 -63.5 7.6 13 221 A I E -A 28 0A 83 15,-1.9 15,-1.7 -2,-0.3 2,-0.1 -0.963 32.0-137.1-110.8 114.8 14.9 -65.0 8.8 14 222 A M E +A 27 0A 33 -2,-0.6 13,-0.2 13,-0.2 2,-0.1 -0.406 31.1 163.6 -77.7 148.7 12.0 -63.1 7.1 15 223 A S E - 0 0 48 11,-2.3 -1,-0.1 1,-0.3 12,-0.1 -0.383 35.6 -13.8-138.4-147.0 8.9 -62.1 9.1 16 224 A K E - 0 0 131 -2,-0.1 10,-2.8 9,-0.1 2,-0.3 -0.074 63.8-102.2 -66.7 159.2 5.8 -59.9 9.0 17 225 A T E -A 25 0A 60 8,-0.2 8,-0.3 1,-0.2 -1,-0.1 -0.644 30.7-178.3 -76.8 135.5 5.0 -57.0 6.7 18 226 A L E S+ 0 0 78 6,-3.4 2,-0.3 1,-0.4 7,-0.2 0.764 71.0 6.8-101.8 -38.9 5.6 -53.6 8.3 19 227 A G E A 24 0A 17 5,-1.5 5,-2.5 67,-0.1 -1,-0.4 -0.996 360.0 360.0-144.8 148.6 4.5 -51.5 5.4 20 228 A S 0 0 119 -2,-0.3 3,-0.1 3,-0.2 5,-0.0 -0.504 360.0 360.0-134.2 360.0 2.9 -52.1 1.9 21 ! 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 22 232 A G 0 0 91 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-109.3 7.4 -50.5 -2.1 23 233 A E E - B 0 40A 68 17,-1.1 17,-3.7 -3,-0.1 2,-0.4 -0.993 360.0-160.5-141.9 141.5 7.2 -53.2 0.6 24 234 A V E -AB 19 39A 37 -5,-2.5 -6,-3.4 -2,-0.3 -5,-1.5 -0.970 9.2-171.4-124.5 128.1 9.0 -53.4 4.0 25 235 A K E -AB 17 38A 34 13,-2.5 13,-3.0 -2,-0.4 -8,-0.2 -0.926 24.1-121.2-121.5 142.6 9.4 -56.6 6.0 26 236 A L E + B 0 37A 13 -10,-2.8 -11,-2.3 -2,-0.4 2,-0.3 -0.530 40.9 171.1 -69.7 143.0 10.6 -57.3 9.5 27 237 A A E -AB 14 36A 0 9,-2.2 9,-2.6 -13,-0.2 2,-0.5 -0.971 28.4-129.7-149.8 163.7 13.6 -59.7 9.6 28 238 A F E -AB 13 35A 66 -15,-1.7 -15,-1.9 -2,-0.3 2,-0.4 -0.974 18.1-132.4-121.1 124.6 16.1 -61.2 12.0 29 239 A E E > -A 12 0A 34 5,-2.1 4,-2.7 -2,-0.5 5,-0.5 -0.615 17.5-147.5 -68.4 123.6 19.9 -61.3 11.3 30 240 A R T 4 S+ 0 0 124 -19,-2.7 -1,-0.2 -2,-0.4 -18,-0.1 0.883 92.6 57.1 -61.7 -40.6 20.9 -64.8 12.2 31 241 A K T 4 S+ 0 0 135 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.833 126.0 17.8 -62.3 -33.2 24.3 -63.9 13.4 32 242 A T T 4 S- 0 0 61 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.594 88.5-133.3-114.1 -18.4 23.0 -61.4 16.0 33 243 A C < + 0 0 102 -4,-2.7 2,-0.2 1,-0.2 -3,-0.2 0.696 62.0 140.7 61.9 20.1 19.3 -62.4 16.5 34 244 A K - 0 0 142 -5,-0.5 -5,-2.1 1,-0.1 -1,-0.2 -0.548 55.9-105.2 -90.4 159.0 18.7 -58.6 16.2 35 245 A K E +B 28 0A 108 -7,-0.2 47,-0.5 -2,-0.2 2,-0.3 -0.568 39.1 175.2 -85.4 145.9 15.8 -57.1 14.3 36 246 A V E -B 27 0A 1 -9,-2.6 -9,-2.2 -2,-0.2 2,-0.5 -0.959 27.6-125.9-141.2 160.0 16.2 -55.4 10.9 37 247 A A E -BC 26 80A 10 43,-2.6 43,-3.6 -2,-0.3 2,-0.6 -0.945 21.3-161.6-108.4 129.2 13.9 -53.9 8.3 38 248 A I E -BC 25 79A 0 -13,-3.0 -13,-2.5 -2,-0.5 2,-0.4 -0.930 4.6-153.8-114.7 113.3 14.2 -55.2 4.7 39 249 A K E -BC 24 78A 19 39,-2.8 39,-2.8 -2,-0.6 2,-0.6 -0.717 8.7-153.7 -85.3 129.8 12.8 -53.0 1.9 40 250 A I E -BC 23 77A 20 -17,-3.7 -17,-1.1 -2,-0.4 2,-0.5 -0.908 12.4-177.3-109.7 115.9 11.7 -55.0 -1.2 41 251 A I E - C 0 76A 34 35,-2.5 35,-2.8 -2,-0.6 -2,-0.0 -0.951 21.0-136.4-114.6 116.2 11.8 -53.2 -4.5 42 252 A S 0 0 89 -2,-0.5 33,-0.1 33,-0.2 32,-0.0 -0.296 360.0 360.0 -73.5 154.2 10.6 -55.2 -7.5 43 253 A K 0 0 118 31,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.788 360.0 360.0 -93.4 360.0 12.3 -55.3 -10.9 44 ! 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 45 266 A P > 0 0 95 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.9 14.2 -49.8 -11.7 46 267 A A H > + 0 0 48 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.804 360.0 63.8 -42.7 -35.0 18.0 -50.4 -11.4 47 268 A L H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 5,-0.3 0.987 103.2 40.0 -54.7 -73.1 18.4 -46.6 -11.8 48 269 A N H > S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.730 120.9 48.2 -50.3 -25.3 16.6 -45.4 -8.7 49 270 A V H X S+ 0 0 3 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.900 100.3 58.5 -89.1 -45.1 18.2 -48.2 -6.7 50 271 A E H X S+ 0 0 46 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.860 114.6 41.8 -52.2 -35.3 21.9 -48.0 -7.7 51 272 A T H X S+ 0 0 55 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.807 108.9 56.0 -87.2 -31.0 21.9 -44.4 -6.4 52 273 A E H X S+ 0 0 4 -4,-0.9 4,-2.6 -5,-0.3 -2,-0.2 0.922 114.3 42.3 -63.0 -42.8 19.8 -45.0 -3.3 53 274 A I H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.939 112.2 53.6 -63.8 -49.8 22.4 -47.6 -2.3 54 275 A E H X S+ 0 0 56 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.866 115.0 42.2 -53.8 -38.9 25.3 -45.4 -3.4 55 276 A I H >X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 3,-0.7 0.938 110.1 53.4 -76.6 -49.4 23.9 -42.6 -1.2 56 277 A L H 3< S+ 0 0 6 -4,-2.6 11,-0.4 1,-0.2 -2,-0.2 0.843 108.8 51.9 -54.9 -36.3 23.0 -44.7 1.9 57 278 A K H 3< S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.816 112.7 43.5 -71.6 -31.1 26.5 -46.1 2.0 58 279 A K H << S+ 0 0 79 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.806 97.8 85.4 -86.6 -31.6 28.2 -42.7 1.9 59 280 A L < - 0 0 18 -4,-2.2 2,-0.2 6,-0.1 58,-0.0 -0.359 48.5-179.8 -76.1 150.7 26.0 -40.8 4.4 60 281 A N + 0 0 117 -2,-0.1 5,-0.1 6,-0.1 6,-0.0 -0.680 25.9 125.9-154.0 93.7 26.6 -40.9 8.1 61 282 A H > - 0 0 33 3,-0.4 3,-1.9 -2,-0.2 52,-0.0 -0.992 60.1-121.2-152.0 143.9 24.2 -39.0 10.4 62 283 A P T 3 S+ 0 0 45 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.801 113.3 46.9 -56.1 -33.7 22.0 -39.9 13.4 63 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.5 81,-0.1 2,-0.4 0.068 98.8 80.2-102.1 22.8 18.8 -38.8 11.7 64 285 A I B < S-e 145 0B 3 -3,-1.9 -3,-0.4 80,-0.3 82,-0.2 -0.992 85.4-116.6-127.4 125.6 19.5 -40.6 8.4 65 286 A I - 0 0 5 80,-2.3 2,-0.4 -2,-0.4 -6,-0.1 -0.208 27.7-134.7 -62.2 147.2 18.8 -44.3 8.2 66 287 A K - 0 0 62 -4,-0.1 15,-1.4 -6,-0.0 2,-0.3 -0.825 6.4-130.1-108.9 142.3 21.7 -46.7 7.5 67 288 A I E -D 80 0A 34 -11,-0.4 13,-0.3 -2,-0.4 3,-0.1 -0.709 20.3-179.6 -87.6 138.4 21.9 -49.6 5.1 68 289 A K E - 0 0 106 11,-4.1 2,-0.3 1,-0.4 12,-0.2 0.608 64.5 -11.1-109.8 -21.9 23.2 -52.9 6.6 69 290 A N E -D 79 0A 43 10,-1.4 10,-2.8 2,-0.0 -1,-0.4 -0.981 54.6-145.9-172.2 162.0 23.1 -55.1 3.5 70 291 A F E -D 78 0A 35 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.994 4.1-167.1-146.0 136.4 21.9 -55.4 -0.1 71 292 A F E -D 77 0A 26 6,-3.0 6,-3.1 -2,-0.3 2,-0.8 -0.979 3.9-166.0-126.9 121.6 20.7 -58.2 -2.3 72 293 A D E +D 76 0A 77 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.845 45.0 116.8-104.8 94.1 20.3 -57.8 -6.1 73 294 A A S S- 0 0 30 2,-2.7 -2,-0.0 -2,-0.8 0, 0.0 -0.218 84.6 -30.7-130.5-143.5 18.3 -60.9 -7.1 74 295 A E S S+ 0 0 109 -2,-0.1 -31,-0.5 -32,-0.0 2,-0.3 0.834 139.5 7.0 -52.6 -32.0 14.9 -61.7 -8.7 75 296 A D S S- 0 0 41 -33,-0.1 -2,-2.7 -32,-0.1 2,-0.5 -0.836 96.2 -91.1-134.6 177.6 14.1 -58.5 -6.9 76 297 A Y E -CD 41 72A 13 -35,-2.8 -35,-2.5 -2,-0.3 2,-0.5 -0.829 35.1-168.1 -94.5 128.9 16.0 -55.8 -5.0 77 298 A Y E -CD 40 71A 8 -6,-3.1 -6,-3.0 -2,-0.5 2,-0.6 -0.958 2.4-171.4-118.9 117.2 16.4 -56.3 -1.2 78 299 A I E -CD 39 70A 0 -39,-2.8 -39,-2.8 -2,-0.5 2,-0.6 -0.922 12.1-150.5-110.8 116.7 17.7 -53.4 0.9 79 300 A V E +CD 38 69A 0 -10,-2.8 -11,-4.1 -2,-0.6 -10,-1.4 -0.754 26.9 167.6 -92.1 118.2 18.6 -54.2 4.5 80 301 A L E -CD 37 67A 8 -43,-3.6 -43,-2.6 -2,-0.6 -13,-0.2 -0.752 41.1 -79.4-126.2 167.8 18.1 -51.3 6.9 81 302 A E - 0 0 39 -15,-1.4 2,-0.6 -2,-0.2 -45,-0.2 -0.374 50.9-115.5 -60.1 144.1 18.0 -50.4 10.5 82 303 A L - 0 0 40 -47,-0.5 2,-0.7 -2,-0.0 -1,-0.1 -0.780 20.9-157.9 -88.2 122.7 14.6 -51.2 12.1 83 304 A M > - 0 0 19 -2,-0.6 3,-1.3 1,-0.1 51,-0.2 -0.891 2.8-164.3 -98.7 108.8 12.7 -48.1 13.4 84 305 A E T 3 S+ 0 0 112 51,-0.8 51,-0.2 -2,-0.7 52,-0.2 0.651 82.0 65.0 -72.7 -16.5 10.3 -49.4 15.9 85 306 A G T 3 S- 0 0 16 49,-2.5 -1,-0.3 1,-0.2 50,-0.2 0.690 93.8-151.7 -77.3 -18.7 8.2 -46.3 16.0 86 307 A G E < -F 134 0B 30 -3,-1.3 48,-3.1 48,-0.7 2,-0.2 -0.388 43.6 -14.5 77.2-158.8 7.1 -46.8 12.4 87 308 A E E > -F 133 0B 58 46,-0.2 3,-1.1 1,-0.1 4,-0.3 -0.554 48.4-135.1 -86.3 140.6 6.2 -44.0 10.1 88 309 A L G > S+ 0 0 0 44,-3.3 3,-2.2 41,-0.8 4,-0.5 0.816 102.1 75.0 -54.6 -31.9 5.4 -40.4 11.2 89 310 A F G >> S+ 0 0 68 40,-1.2 3,-1.8 43,-0.4 4,-1.3 0.879 88.4 55.2 -49.2 -45.4 2.5 -40.7 8.7 90 311 A D G <4 S+ 0 0 87 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.566 101.2 61.0 -71.5 -5.7 0.6 -42.9 11.1 91 312 A K G <4 S+ 0 0 79 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.582 116.3 28.8 -90.1 -12.4 0.9 -40.2 13.8 92 313 A V T X4 S+ 0 0 9 -3,-1.8 3,-0.6 -4,-0.5 -2,-0.2 0.441 83.7 121.1-130.6 -5.0 -0.9 -37.6 11.7 93 314 A V T 3< S+ 0 0 66 -4,-1.3 3,-0.4 1,-0.2 110,-0.1 -0.448 78.7 19.1 -68.4 133.8 -3.4 -39.5 9.5 94 315 A G T 3 S- 0 0 63 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.928 133.3 -58.9 73.1 46.2 -7.0 -38.5 10.0 95 316 A N S < S+ 0 0 117 107,-0.7 -1,-0.2 -3,-0.6 2,-0.2 0.516 86.5 152.0 66.4 6.3 -6.6 -35.1 11.7 96 317 A K - 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0 0 40 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.190 22.6-123.1 -66.1 159.3 2.1 -20.6 18.9 236 457 A E H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.790 110.0 56.6 -73.7 -28.9 2.8 -17.6 16.7 237 458 A K H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.877 105.3 50.1 -69.8 -40.8 6.5 -18.5 16.3 238 459 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.954 112.8 45.8 -62.7 -51.5 5.7 -22.0 14.9 239 460 A L H X S+ 0 0 29 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.859 108.4 58.5 -58.7 -38.0 3.3 -20.6 12.3 240 461 A D H X S+ 0 0 59 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.913 106.1 47.8 -59.8 -43.6 5.9 -17.9 11.5 241 462 A L H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.898 110.4 51.7 -64.1 -42.9 8.4 -20.5 10.5 242 463 A V H >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-0.9 0.916 107.2 53.9 -57.5 -45.8 5.9 -22.4 8.4 243 464 A K H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.864 107.8 50.7 -56.7 -38.0 5.1 -19.1 6.6 244 465 A K H 3< S+ 0 0 80 -4,-1.5 10,-2.0 1,-0.2 3,-0.3 0.621 111.7 46.4 -81.6 -13.6 8.8 -18.7 5.8 245 466 A L H << S+ 0 0 0 -4,-0.9 2,-1.3 -3,-0.9 -2,-0.2 0.774 102.4 64.4 -92.8 -34.1 9.2 -22.2 4.4 246 467 A L S < S+ 0 0 9 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.2 -0.301 73.3 140.1 -87.5 52.8 6.0 -22.1 2.3 247 468 A V - 0 0 42 -2,-1.3 6,-0.2 -3,-0.3 -25,-0.1 -0.871 49.6-146.9-100.0 125.9 7.4 -19.3 0.1 248 469 A V S S+ 0 0 71 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.858 83.3 76.9 -58.2 -41.4 6.7 -19.5 -3.6 249 470 A D S > S- 0 0 83 1,-0.2 4,-2.1 -3,-0.1 3,-0.5 -0.655 71.7-154.8 -77.0 112.9 10.0 -17.9 -4.6 250 471 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.782 92.1 51.7 -58.8 -33.6 12.7 -20.6 -4.2 251 472 A K T 4 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.816 114.4 41.9 -76.7 -32.0 15.5 -18.0 -3.7 252 473 A A T 4 S+ 0 0 59 -3,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.756 92.4 108.7 -83.0 -27.6 13.6 -16.2 -1.0 253 474 A R S < S- 0 0 23 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.080 82.4 -93.7 -50.5 147.8 12.4 -19.4 0.7 254 475 A F - 0 0 35 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.345 36.2-141.2 -63.8 141.5 14.0 -20.3 4.0 255 476 A T > - 0 0 48 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.559 29.9-103.1 -92.2 168.7 17.0 -22.6 4.0 256 477 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.877 124.3 54.5 -58.3 -37.3 17.6 -25.3 6.6 257 478 A E H > S+ 0 0 62 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.903 109.6 46.2 -62.6 -42.3 20.2 -23.0 8.2 258 479 A E H > S+ 0 0 65 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.899 111.4 51.8 -68.0 -42.0 17.7 -20.2 8.5 259 480 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 6,-0.2 0.937 109.9 49.6 -56.4 -47.3 15.0 -22.5 9.8 260 481 A L H 3< S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.754 111.0 49.6 -65.3 -26.2 17.5 -23.7 12.5 261 482 A R H 3< S+ 0 0 169 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.514 87.9 115.0 -88.1 -8.1 18.3 -20.1 13.4 262 483 A H S X< S- 0 0 6 -3,-1.2 3,-2.2 -4,-0.7 4,-0.4 -0.360 77.4-119.5 -68.1 142.1 14.6 -19.3 13.7 263 484 A P G > S+ 0 0 70 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.804 109.0 67.2 -49.4 -37.6 13.3 -18.3 17.2 264 485 A W G 3 S+ 0 0 2 -27,-0.3 3,-0.2 1,-0.3 -26,-0.1 0.725 107.3 41.7 -61.2 -19.0 10.9 -21.3 17.3 265 486 A L G < S+ 0 0 0 -3,-2.2 -1,-0.3 -6,-0.2 6,-0.1 0.410 85.3 92.2-107.8 -0.4 13.9 -23.6 17.4 266 487 A Q < + 0 0 100 -3,-1.6 2,-0.8 -4,-0.4 -1,-0.2 0.037 58.2 128.1 -80.3 30.8 16.0 -21.5 19.9 267 488 A D > - 0 0 43 -3,-0.2 4,-1.3 1,-0.1 3,-0.4 -0.793 42.7-169.5 -98.6 107.1 14.4 -23.7 22.5 268 489 A E H > S+ 0 0 132 -2,-0.8 4,-1.8 1,-0.2 -1,-0.1 0.681 80.6 63.2 -75.9 -21.9 17.0 -25.2 24.8 269 490 A D H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 105.7 48.0 -65.2 -39.8 14.8 -27.6 26.6 270 491 A M H > S+ 0 0 11 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.893 110.5 49.0 -69.4 -42.3 14.1 -29.4 23.3 271 492 A K H X S+ 0 0 42 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.875 107.8 56.5 -66.2 -36.9 17.8 -29.6 22.3 272 493 A R H X S+ 0 0 142 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.956 107.8 48.1 -52.6 -53.4 18.6 -31.0 25.7 273 494 A K H X S+ 0 0 42 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.878 110.1 51.1 -59.1 -42.5 16.1 -33.8 25.2 274 495 A F H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.931 108.7 51.2 -62.2 -46.8 17.5 -34.6 21.7 275 496 A Q H X S+ 0 0 99 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 109.4 52.1 -56.6 -41.7 21.0 -34.8 23.1 276 497 A D H X S+ 0 0 62 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 106.8 51.5 -58.0 -51.5 19.7 -37.2 25.7 277 498 A L H X S+ 0 0 22 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.836 108.7 52.8 -58.1 -36.4 18.1 -39.5 23.2 278 499 A L H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 3,-0.3 0.975 106.9 50.7 -60.7 -56.8 21.3 -39.6 21.2 279 500 A S H X S+ 0 0 69 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.860 107.9 54.7 -50.3 -41.7 23.4 -40.7 24.3 280 501 A E H < S+ 0 0 125 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.927 111.4 42.9 -59.6 -47.6 20.8 -43.4 25.0 281 502 A E H >< S+ 0 0 74 -4,-1.7 3,-0.7 -3,-0.3 4,-0.3 0.866 112.8 53.8 -66.4 -37.1 21.2 -44.9 21.5 282 503 A N H >X S+ 0 0 72 -4,-2.4 4,-1.6 1,-0.2 3,-1.3 0.682 87.1 79.6 -75.7 -19.0 24.9 -44.6 21.4 283 504 A E T 3< S+ 0 0 147 -4,-1.2 -1,-0.2 -3,-0.4 3,-0.1 0.860 87.4 58.5 -57.3 -38.2 25.6 -46.5 24.7 284 505 A S T <4 S+ 0 0 100 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.761 117.1 32.6 -62.2 -25.9 25.2 -49.8 23.0 285 506 A T T <4 0 0 115 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.575 360.0 360.0-108.0 -14.4 28.0 -49.0 20.6 286 507 A A < 0 0 94 -4,-1.6 5,-0.1 -3,-0.1 -3,-0.0 -0.368 360.0 360.0 -66.1 360.0 30.3 -46.9 22.7 287 ! 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 0.0 288 508 A L 0 0 102 0, 0.0 -235,-0.1 0, 0.0 -217,-0.1 0.000 360.0 360.0 360.0 360.0 24.8 -53.5 -7.4 289 ! 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 0.0 290 509 A P 0 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.2 36.0 -46.8 25.7 291 510 A Q - 0 0 173 -5,-0.1 2,-0.3 1,-0.0 -5,-0.0 -0.695 360.0 -72.0-137.9-172.0 38.4 -44.1 24.9 292 511 A V 0 0 139 -2,-0.2 -1,-0.0 1,-0.0 0, 0.0 -0.634 360.0 360.0 -94.7 141.4 41.6 -42.2 25.8 293 512 A L 0 0 204 -2,-0.3 -1,-0.0 0, 0.0 0, 0.0 -0.846 360.0 360.0-120.6 360.0 41.8 -39.7 28.6