==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-10 2XM9 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.CALDWELL,E.J.WELSH,C.MATIJSSEN,V.E.ANDERSON,L.ANTONI,K.B . 287 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 68.3 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 . 39 13.6 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.1 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 0 3 2 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 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 . 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 1 211 A V 0 0 188 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.8 64.3 -24.9 -17.9 2 212 A Y - 0 0 64 1,-0.1 5,-0.0 2,-0.1 10,-0.0 -0.572 360.0 -87.3 -84.5 151.6 63.7 -21.3 -16.6 3 213 A P > - 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.201 33.4-123.0 -58.4 150.1 65.6 -18.4 -18.2 4 214 A K H > S+ 0 0 172 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.847 110.4 54.9 -63.0 -37.8 69.0 -17.7 -16.6 5 215 A A H > S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.866 110.2 46.0 -66.6 -37.3 68.1 -14.1 -15.7 6 216 A L H >> S+ 0 0 0 2,-0.2 3,-1.7 1,-0.2 4,-1.7 0.970 113.4 49.5 -63.2 -52.2 65.0 -15.3 -13.8 7 217 A R H 3< S+ 0 0 128 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.844 100.6 65.5 -58.9 -36.7 67.0 -17.9 -12.1 8 218 A D H 3< S+ 0 0 123 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.811 116.6 25.5 -52.4 -32.2 69.7 -15.4 -11.2 9 219 A E H << S+ 0 0 62 -3,-1.7 19,-2.8 -4,-0.6 20,-0.4 0.595 122.3 41.4-112.9 -15.1 67.2 -13.6 -8.9 10 220 A Y E < -A 27 0A 6 -4,-1.7 2,-0.6 17,-0.2 17,-0.2 -0.986 59.3-139.5-140.6 144.4 64.7 -16.2 -7.9 11 221 A I E -A 26 0A 87 15,-2.3 15,-2.3 -2,-0.4 2,-0.1 -0.931 35.5-136.0 -95.4 119.6 64.3 -19.7 -6.8 12 222 A M E +A 25 0A 34 -2,-0.6 13,-0.2 13,-0.2 2,-0.2 -0.450 30.1 171.6 -77.6 153.1 61.2 -21.1 -8.5 13 223 A S E - 0 0 45 11,-2.2 -1,-0.1 1,-0.3 12,-0.0 -0.566 33.6 -23.6-141.0-159.0 58.7 -23.3 -6.6 14 224 A K E - 0 0 62 -2,-0.2 10,-3.4 9,-0.2 -1,-0.3 0.051 63.5-100.6 -58.7 161.0 55.3 -25.0 -6.7 15 225 A T E -A 23 0A 67 8,-0.3 8,-0.3 1,-0.1 -1,-0.1 -0.591 32.6-178.5 -80.5 147.4 52.4 -24.0 -9.0 16 226 A L E - 0 0 95 6,-3.7 2,-0.3 1,-0.4 7,-0.2 0.765 56.6 -16.7-113.7 -46.3 49.6 -22.0 -7.5 17 227 A G E A 22 0A 22 5,-1.0 5,-2.1 67,-0.1 -1,-0.4 -0.939 360.0 360.0-155.5 174.4 46.9 -21.4 -10.1 18 228 A S 0 0 128 -2,-0.3 3,-0.3 3,-0.2 -3,-0.0 -0.969 360.0 360.0-128.8 360.0 46.1 -21.5 -13.9 19 ! 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 20 232 A G 0 0 81 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-157.1 48.7 -19.0 -18.3 21 233 A E E - B 0 38A 64 17,-2.0 17,-2.9 -3,-0.3 2,-0.4 -0.747 360.0-146.6-119.0 158.9 50.1 -20.3 -15.1 22 234 A V E -AB 17 37A 43 -5,-2.1 -6,-3.7 -2,-0.3 -5,-1.0 -0.977 15.2-170.5-131.4 121.8 51.3 -18.9 -11.7 23 235 A K E -AB 15 36A 31 13,-2.8 13,-2.8 -2,-0.4 2,-0.3 -0.791 24.1-119.1-109.6 151.6 54.2 -20.3 -9.6 24 236 A L E + B 0 35A 24 -10,-3.4 -11,-2.2 -2,-0.3 2,-0.3 -0.633 41.3 172.0 -75.2 143.1 55.4 -19.6 -6.1 25 237 A A E -AB 12 34A 0 9,-2.2 9,-3.8 -2,-0.3 2,-0.5 -0.988 29.1-131.0-150.1 162.1 59.0 -18.3 -5.9 26 238 A F E -AB 11 33A 69 -15,-2.3 -15,-2.3 -2,-0.3 2,-0.5 -0.957 21.0-131.9-114.9 129.7 61.5 -16.8 -3.5 27 239 A E E > -A 10 0A 29 5,-2.6 4,-2.7 -2,-0.5 5,-0.5 -0.682 14.4-145.4 -78.2 124.9 63.4 -13.7 -4.2 28 240 A R T 4 S+ 0 0 122 -19,-2.8 -1,-0.2 -2,-0.5 -18,-0.1 0.911 93.8 56.3 -58.6 -45.3 67.1 -14.4 -3.5 29 241 A K T 4 S+ 0 0 173 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.840 126.1 17.2 -55.8 -38.1 67.8 -10.9 -2.2 30 242 A T T 4 S- 0 0 68 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.565 88.9-131.1-115.4 -15.1 65.1 -10.9 0.5 31 243 A C < + 0 0 106 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.673 63.3 139.9 64.4 19.5 64.2 -14.6 1.0 32 244 A K - 0 0 145 -5,-0.5 -5,-2.6 1,-0.1 -1,-0.3 -0.613 57.7-105.8 -95.0 151.6 60.6 -13.4 0.6 33 245 A K E +B 26 0A 95 -2,-0.2 47,-0.5 -7,-0.2 2,-0.3 -0.537 41.3 174.4 -77.5 138.5 57.9 -15.2 -1.3 34 246 A V E -BC 25 79A 0 -9,-3.8 -9,-2.2 -2,-0.2 2,-0.4 -0.881 27.7-119.9-132.4 169.0 56.7 -13.8 -4.6 35 247 A A E -BC 24 78A 9 43,-3.7 43,-3.1 -2,-0.3 2,-0.5 -0.920 19.5-159.6-109.5 140.4 54.3 -14.9 -7.3 36 248 A I E -BC 23 77A 0 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.6 -0.946 3.5-156.4-124.0 113.8 55.5 -15.5 -10.9 37 249 A K E -BC 22 76A 26 39,-3.3 39,-3.4 -2,-0.5 2,-0.6 -0.780 8.7-159.1 -88.9 120.1 53.0 -15.4 -13.8 38 250 A I E -BC 21 75A 18 -17,-2.9 -17,-2.0 -2,-0.6 2,-0.6 -0.903 8.8-175.2-104.9 113.8 54.1 -17.3 -16.8 39 251 A I E - C 0 74A 32 35,-1.8 35,-2.3 -2,-0.6 -2,-0.0 -0.926 20.1-138.2-111.3 109.2 52.5 -16.4 -20.1 40 252 A S 0 0 67 -2,-0.6 33,-0.1 33,-0.2 32,-0.0 -0.022 360.0 360.0 -59.5 164.6 53.5 -18.7 -23.1 41 253 A K 0 0 115 31,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.686 360.0 360.0-111.8 360.0 54.3 -17.4 -26.6 42 ! 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 43 266 A P > 0 0 105 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -57.8 50.0 -12.9 -26.7 44 267 A A H > + 0 0 50 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.766 360.0 57.3 -59.1 -32.2 52.4 -9.9 -26.6 45 268 A L H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.980 108.1 45.1 -67.1 -54.9 49.6 -7.3 -26.8 46 269 A N H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.889 118.4 45.2 -50.6 -45.6 47.8 -8.5 -23.7 47 270 A V H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.939 111.4 50.2 -67.3 -49.2 51.1 -8.8 -21.8 48 271 A E H X S+ 0 0 60 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.844 115.3 44.8 -60.9 -32.6 52.5 -5.4 -22.9 49 272 A T H X S+ 0 0 48 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.919 112.1 49.5 -79.6 -42.9 49.3 -3.7 -21.8 50 273 A E H X S+ 0 0 9 -4,-2.4 4,-3.4 -5,-0.2 5,-0.3 0.928 115.9 45.1 -58.6 -44.2 48.9 -5.5 -18.5 51 274 A I H X S+ 0 0 16 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.938 113.7 47.6 -66.4 -45.9 52.5 -4.6 -17.8 52 275 A E H X S+ 0 0 57 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.872 117.0 46.0 -64.7 -35.0 52.1 -1.0 -18.9 53 276 A I H >X S+ 0 0 2 -4,-3.1 4,-1.4 2,-0.2 3,-0.7 0.960 112.7 45.6 -69.8 -55.3 49.0 -0.8 -16.9 54 277 A L H 3< S+ 0 0 6 -4,-3.4 11,-0.4 1,-0.2 -2,-0.2 0.812 109.8 57.1 -62.2 -30.6 50.2 -2.4 -13.6 55 278 A K H 3< S+ 0 0 154 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.825 112.7 39.8 -68.2 -31.1 53.4 -0.3 -13.8 56 279 A K H << S+ 0 0 93 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.631 101.9 88.1 -94.7 -12.8 51.4 2.9 -13.8 57 280 A L < - 0 0 14 -4,-1.4 2,-0.2 6,-0.1 58,-0.0 -0.620 48.4-178.6 -93.3 146.3 48.7 1.9 -11.3 58 281 A N + 0 0 123 -2,-0.3 5,-0.1 6,-0.1 6,-0.0 -0.682 26.0 128.2-148.9 85.6 49.0 2.3 -7.6 59 282 A H > - 0 0 31 3,-0.3 3,-2.3 -2,-0.2 -2,-0.0 -1.000 58.7-124.6-146.1 140.2 46.1 1.1 -5.4 60 283 A P T 3 S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.696 114.2 44.1 -55.4 -23.2 45.8 -1.2 -2.3 61 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.6 46,-0.1 2,-0.4 0.187 98.4 81.7-114.0 15.2 43.3 -3.4 -4.1 62 285 A I B < S-e 143 0B 2 -3,-2.3 -3,-0.3 80,-0.3 82,-0.1 -0.989 88.3-111.1-115.0 130.2 45.1 -3.6 -7.4 63 286 A I - 0 0 8 80,-2.0 2,-0.4 -2,-0.4 -6,-0.1 -0.308 31.3-137.5 -60.5 134.8 47.9 -6.2 -7.7 64 287 A K - 0 0 67 -4,-0.1 15,-1.4 -6,-0.0 2,-0.3 -0.761 7.7-132.0-100.3 140.3 51.4 -4.7 -8.0 65 288 A I E -D 78 0A 32 -2,-0.4 13,-0.2 -11,-0.4 3,-0.1 -0.691 20.2-178.8 -91.1 143.4 54.1 -5.9 -10.4 66 289 A K E - 0 0 113 11,-4.3 2,-0.3 1,-0.4 12,-0.2 0.741 63.0 -10.9-109.1 -38.5 57.6 -6.5 -9.1 67 290 A N E -D 77 0A 41 10,-1.5 10,-3.6 2,-0.0 -1,-0.4 -0.977 55.8-146.2-161.9 159.5 59.7 -7.6 -12.0 68 291 A F E -D 76 0A 65 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.998 3.6-163.9-139.6 141.2 59.3 -8.7 -15.7 69 292 A F E -D 75 0A 27 6,-3.0 6,-2.5 -2,-0.3 2,-0.8 -0.962 3.9-164.4-129.2 117.5 61.2 -11.2 -17.9 70 293 A D E +D 74 0A 107 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.849 46.0 115.3 -97.8 100.9 60.8 -11.2 -21.7 71 294 A A S S- 0 0 30 2,-2.3 3,-0.0 -2,-0.8 -2,-0.0 -0.299 85.7 -35.3-138.4-145.2 62.3 -14.6 -22.8 72 295 A E S S+ 0 0 89 -2,-0.1 -31,-0.3 -31,-0.0 2,-0.3 0.790 138.0 9.6 -59.8 -25.4 61.3 -17.9 -24.4 73 296 A D S S- 0 0 47 -33,-0.1 -2,-2.3 -32,-0.1 2,-0.4 -0.882 95.8 -91.0-139.1 173.7 58.2 -17.1 -22.4 74 297 A Y E -CD 39 70A 23 -35,-2.3 -35,-1.8 -2,-0.3 2,-0.5 -0.764 35.5-168.6 -89.1 134.3 56.8 -14.1 -20.5 75 298 A Y E -CD 38 69A 16 -6,-2.5 -6,-3.0 -2,-0.4 2,-0.5 -0.952 3.7-174.9-126.7 112.5 57.6 -14.0 -16.8 76 299 A I E -CD 37 68A 2 -39,-3.4 -39,-3.3 -2,-0.5 2,-0.7 -0.923 12.7-151.5-108.9 126.5 55.7 -11.5 -14.6 77 300 A V E +CD 36 67A 0 -10,-3.6 -11,-4.3 -2,-0.5 -10,-1.5 -0.861 24.2 171.8-102.7 112.5 56.8 -11.2 -11.0 78 301 A L E -CD 35 65A 20 -43,-3.1 -43,-3.7 -2,-0.7 -13,-0.2 -0.794 41.6 -89.8-115.2 159.6 54.0 -10.1 -8.6 79 302 A E E -C 34 0A 42 -15,-1.4 2,-0.2 -2,-0.3 -45,-0.2 -0.392 57.0-107.1 -58.3 141.7 53.5 -9.8 -4.9 80 303 A L - 0 0 33 -47,-0.5 2,-0.7 -55,-0.1 -1,-0.1 -0.553 20.3-151.2 -83.8 141.3 52.1 -13.1 -3.6 81 304 A M > - 0 0 17 -2,-0.2 3,-1.3 1,-0.1 51,-0.2 -0.875 10.5-173.3-112.0 98.3 48.5 -13.5 -2.5 82 305 A E T 3 S+ 0 0 102 51,-0.8 52,-0.2 -2,-0.7 51,-0.2 0.785 77.0 62.4 -64.3 -31.6 48.4 -16.2 0.1 83 306 A G T 3 S- 0 0 12 49,-1.5 -1,-0.3 1,-0.2 50,-0.2 0.597 93.4-150.3 -72.5 -14.2 44.6 -16.5 0.4 84 307 A G E < -F 132 0B 26 -3,-1.3 48,-3.0 48,-0.6 2,-0.2 -0.266 40.4 -11.8 78.3-163.2 44.1 -17.6 -3.2 85 308 A E E >> -F 131 0B 45 46,-0.2 3,-0.7 1,-0.1 4,-0.5 -0.498 45.7-137.6 -79.4 140.5 41.1 -17.0 -5.5 86 309 A L G >4 S+ 0 0 0 44,-2.7 3,-1.0 41,-0.9 4,-0.4 0.776 103.4 73.9 -59.9 -28.0 37.7 -15.7 -4.4 87 310 A F G >> S+ 0 0 73 40,-1.2 3,-2.4 43,-0.3 4,-1.0 0.933 88.6 56.4 -49.7 -51.5 36.4 -18.4 -6.7 88 311 A D G <4 S+ 0 0 77 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.745 102.6 56.6 -57.5 -25.2 37.4 -21.1 -4.2 89 312 A K G << S+ 0 0 81 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.539 114.3 36.8 -82.8 -5.8 35.3 -19.4 -1.5 90 313 A V T <4 S+ 0 0 11 -3,-2.4 3,-0.4 -4,-0.4 -2,-0.2 0.440 89.7 104.6-128.7 -4.3 32.1 -19.5 -3.6 91 314 A V S >< S+ 0 0 41 -4,-1.0 3,-1.1 1,-0.2 110,-0.0 -0.436 74.2 33.3 -80.3 158.6 32.2 -22.8 -5.5 92 315 A G T 3 S- 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.878 134.6 -67.9 61.4 38.8 30.1 -25.8 -4.5 93 316 A N T 3 S+ 0 0 122 -3,-0.4 -1,-0.2 107,-0.3 -2,-0.2 0.651 85.1 170.9 55.2 17.4 27.4 -23.4 -3.4 94 317 A K < - 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0 0 37 -2,-0.4 4,-1.2 1,-0.1 -1,-0.1 -0.015 19.5-129.4 -58.3 164.2 19.5 -8.7 3.7 234 457 A E H > S+ 0 0 170 2,-0.2 4,-1.5 1,-0.1 -1,-0.1 0.701 105.8 58.9 -92.5 -23.0 17.3 -6.5 1.6 235 458 A K H > S+ 0 0 120 2,-0.2 4,-2.0 3,-0.1 27,-0.3 0.903 106.3 49.6 -67.3 -43.7 19.8 -3.8 1.2 236 459 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.971 111.5 46.3 -57.8 -58.0 22.3 -6.2 -0.4 237 460 A L H X S+ 0 0 23 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.839 109.4 57.5 -57.0 -34.5 19.8 -7.6 -2.9 238 461 A D H X S+ 0 0 54 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.923 106.8 46.7 -62.2 -46.8 18.7 -4.0 -3.7 239 462 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 -3,-0.3 3,-0.4 0.930 110.3 53.9 -60.5 -45.8 22.3 -3.1 -4.7 240 463 A V H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.6 0.927 107.1 52.3 -51.0 -46.0 22.6 -6.2 -6.7 241 464 A K H 3< S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.0 51.7 -65.0 -30.9 19.4 -5.2 -8.5 242 465 A K H 3< S+ 0 0 76 -4,-1.5 10,-2.1 -3,-0.4 3,-0.3 0.714 112.0 46.8 -80.6 -19.7 20.8 -1.8 -9.4 243 466 A L H << S+ 0 0 1 -4,-1.5 2,-1.1 -3,-0.6 -2,-0.2 0.801 102.3 63.4 -86.0 -34.1 23.9 -3.4 -10.8 244 467 A L S < S+ 0 0 10 -4,-2.3 2,-0.6 -5,-0.2 -1,-0.2 -0.201 72.7 137.8 -87.0 48.2 22.1 -6.0 -12.9 245 468 A V - 0 0 42 -2,-1.1 6,-0.2 -3,-0.3 -25,-0.1 -0.848 48.7-149.2 -97.9 122.9 20.4 -3.3 -15.1 246 469 A V S S+ 0 0 72 -2,-0.6 -1,-0.1 -27,-0.1 -26,-0.1 0.878 81.1 78.6 -57.4 -46.5 20.3 -4.1 -18.8 247 470 A D S >> S- 0 0 88 1,-0.2 4,-1.8 2,-0.1 3,-0.6 -0.552 72.2-154.1 -64.7 112.8 20.4 -0.5 -19.9 248 471 A P T 34 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.782 92.9 54.1 -64.6 -24.3 24.1 0.5 -19.5 249 472 A K T 34 S+ 0 0 100 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.796 113.2 41.3 -81.2 -26.7 23.2 4.2 -19.1 250 473 A A T <4 S+ 0 0 57 -3,-0.6 -1,-0.2 2,-0.1 3,-0.1 0.664 91.6 109.9 -86.8 -25.6 20.8 3.4 -16.2 251 474 A R S < S- 0 0 20 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.211 82.0 -97.7 -53.5 141.7 23.1 0.9 -14.6 252 475 A F - 0 0 38 -10,-2.1 2,-0.1 -13,-0.1 -1,-0.1 -0.359 35.5-143.5 -57.1 133.4 24.7 1.9 -11.3 253 476 A T > - 0 0 48 -3,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.412 33.3 -97.5 -82.5 175.5 28.3 3.2 -11.6 254 477 A T H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 125.0 55.8 -60.3 -42.1 30.9 2.5 -9.0 255 478 A E H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.913 109.3 45.8 -53.9 -47.3 30.2 5.9 -7.3 256 479 A E H 4 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.855 112.3 51.6 -66.2 -34.5 26.5 5.1 -7.0 257 480 A A H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 6,-0.2 0.898 108.5 51.4 -68.0 -38.9 27.3 1.7 -5.7 258 481 A L H 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.708 111.2 47.4 -71.7 -23.6 29.7 3.2 -3.1 259 482 A R T 3< S+ 0 0 169 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.322 85.8 117.7-100.2 4.7 27.0 5.6 -1.9 260 483 A H S X S- 0 0 5 -3,-1.0 3,-2.8 -4,-0.2 4,-0.4 -0.557 77.5-117.5 -73.1 137.6 24.4 2.9 -1.7 261 484 A P G > S+ 0 0 66 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.776 109.8 68.7 -43.8 -39.5 23.0 2.3 1.9 262 485 A W G 3 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.760 104.8 43.0 -57.5 -23.1 24.3 -1.3 2.0 263 486 A L G < S+ 0 0 0 -3,-2.8 2,-1.8 -6,-0.2 -1,-0.3 0.356 82.0 99.7-108.2 3.5 27.9 0.1 2.0 264 487 A Q < + 0 0 102 -3,-1.9 2,-0.4 -4,-0.4 -1,-0.1 -0.634 53.6 132.8 -81.8 75.2 27.2 2.9 4.6 265 488 A D > - 0 0 44 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.849 39.7-171.7-138.8 94.4 28.7 0.6 7.2 266 489 A E H > S+ 0 0 126 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.768 86.0 55.9 -65.3 -29.5 31.2 2.2 9.5 267 490 A D H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.970 108.0 48.2 -62.2 -53.8 32.3 -1.0 11.1 268 491 A M H > S+ 0 0 13 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.906 110.6 49.9 -54.4 -48.5 33.2 -2.6 7.7 269 492 A K H X S+ 0 0 42 -4,-2.1 4,-2.8 1,-0.2 -1,-0.3 0.849 109.9 54.0 -62.4 -33.2 35.2 0.5 6.6 270 493 A R H X S+ 0 0 124 -4,-1.6 4,-3.2 -3,-0.3 -2,-0.2 0.959 106.6 48.9 -60.3 -57.0 37.0 0.3 10.0 271 494 A K H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.869 113.2 49.7 -53.3 -37.2 38.0 -3.3 9.5 272 495 A F H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.955 110.9 46.6 -69.7 -51.0 39.2 -2.4 6.0 273 496 A Q H X S+ 0 0 110 -4,-2.8 4,-2.2 2,-0.2 5,-0.3 0.888 111.8 54.2 -55.2 -41.4 41.3 0.6 7.2 274 497 A D H X S+ 0 0 91 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.964 108.4 47.6 -53.8 -57.0 42.6 -1.7 10.0 275 498 A L H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.819 110.4 56.0 -55.0 -34.8 43.7 -4.2 7.3 276 499 A L H >X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 3,-0.5 0.991 109.5 39.4 -62.7 -64.5 45.3 -1.4 5.4 277 500 A S H 3X S+ 0 0 72 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.849 113.9 59.0 -59.6 -30.9 47.7 0.1 8.0 278 501 A E H 3< S+ 0 0 108 -4,-2.1 3,-0.4 -5,-0.3 4,-0.4 0.918 106.2 46.1 -61.7 -43.7 48.4 -3.5 9.0 279 502 A E H X< S+ 0 0 63 -4,-1.9 3,-0.5 -3,-0.5 -2,-0.2 0.890 116.8 46.3 -62.1 -39.2 49.6 -4.4 5.5 280 503 A N H >X S+ 0 0 79 -4,-2.1 3,-1.8 1,-0.2 4,-1.3 0.570 83.0 95.7 -86.3 -10.8 51.7 -1.2 5.4 281 504 A E T 3< S+ 0 0 142 -4,-1.2 3,-0.4 -3,-0.4 -1,-0.2 0.860 86.0 49.4 -46.0 -45.2 53.2 -1.5 8.9 282 505 A S T <4 S+ 0 0 118 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.659 114.9 43.7 -73.7 -16.5 56.4 -3.2 7.6 283 506 A T T <4 S+ 0 0 70 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.2 0.575 81.9 120.9-104.0 -13.4 56.9 -0.5 4.9 284 507 A A < - 0 0 78 -4,-1.3 3,-0.1 -3,-0.4 -3,-0.0 -0.366 45.7-156.5 -70.4 119.5 56.2 2.7 6.8 285 508 A L - 0 0 151 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.498 33.3 -93.4 -81.5 159.2 59.0 5.3 6.9 286 509 A P - 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.342 45.3-141.3 -71.0 158.2 59.1 7.9 9.8 287 510 A Q - 0 0 89 -3,-0.1 2,-0.3 -2,-0.0 -3,-0.0 -0.917 19.2 -98.7-128.0 150.0 57.4 11.2 9.1 288 511 A V 0 0 114 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.485 360.0 360.0 -59.6 119.5 58.0 14.8 9.8 289 512 A L 0 0 150 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.667 360.0 360.0-103.2 360.0 55.7 15.6 12.8