==== 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 4A9S . 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. . 282 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 67.7 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 . 35 12.4 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 . 0 0.0 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 . 1 0.4 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 . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 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 1 3 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 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 0 142 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.9 52.5 -43.2 18.7 2 212 A Y - 0 0 73 1,-0.1 5,-0.1 2,-0.1 10,-0.0 -0.602 360.0 -93.5 -78.2 142.6 49.4 -44.5 17.0 3 213 A P > - 0 0 24 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.190 31.9-121.2 -54.5 146.0 47.8 -47.6 18.5 4 214 A K H > S+ 0 0 165 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.911 110.4 55.6 -57.8 -47.0 49.0 -50.9 16.9 5 215 A A H > S+ 0 0 55 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.848 108.0 49.8 -57.4 -36.9 45.5 -51.9 15.8 6 216 A L H >> S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.2 3,-1.6 0.961 109.3 49.6 -63.8 -52.8 45.0 -48.7 13.9 7 217 A R H 3< S+ 0 0 139 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.759 102.5 66.2 -59.2 -24.5 48.3 -48.9 12.1 8 218 A D H 3< S+ 0 0 112 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.785 116.5 22.2 -69.1 -28.5 47.3 -52.4 11.2 9 219 A E H << S+ 0 0 82 -3,-1.6 16,-3.0 -4,-0.7 17,-0.4 0.671 124.7 45.0-108.7 -26.0 44.4 -51.3 9.0 10 220 A Y E < -A 24 0A 6 -4,-2.7 2,-0.7 14,-0.2 14,-0.2 -0.899 60.1-142.0-128.7 149.6 45.4 -47.7 8.1 11 221 A I E -A 23 0A 82 12,-2.4 12,-2.0 -2,-0.3 2,-0.2 -0.946 33.1-139.4-105.1 110.9 48.4 -45.7 7.0 12 222 A M E +A 22 0A 32 -2,-0.7 10,-0.2 10,-0.2 2,-0.1 -0.457 30.6 165.5 -74.2 140.7 48.2 -42.3 8.8 13 223 A S E - 0 0 50 8,-2.8 -1,-0.1 1,-0.3 9,-0.1 -0.247 35.9 -12.1-129.4-142.9 49.1 -39.2 6.9 14 224 A K E - 0 0 53 6,-0.1 7,-3.4 1,-0.1 -1,-0.3 -0.140 62.8-106.8 -69.0 154.2 48.8 -35.4 7.1 15 225 A T E A 20 0A 81 5,-0.3 5,-0.3 1,-0.1 -1,-0.1 -0.562 360.0 360.0 -75.4 141.6 46.7 -33.3 9.5 16 226 A L 0 0 114 3,-5.1 4,-0.2 -2,-0.2 -1,-0.1 0.718 360.0 360.0-118.0 360.0 43.6 -31.7 8.1 17 ! 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 18 233 A E 0 0 122 0, 0.0 17,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 108.9 42.1 -32.9 15.4 19 234 A V E - B 0 34A 44 15,-0.2 -3,-5.1 13,-0.0 2,-0.3 -0.986 360.0-177.7-137.5 126.0 41.6 -34.6 12.0 20 235 A K E -AB 15 33A 17 13,-2.2 13,-2.3 -2,-0.4 -5,-0.3 -0.903 28.1-111.3-125.7 152.5 44.1 -36.3 9.8 21 236 A L E + B 0 32A 31 -7,-3.4 -8,-2.8 -2,-0.3 2,-0.3 -0.500 40.5 171.2 -76.9 146.7 44.1 -38.0 6.4 22 237 A A E -AB 12 31A 0 9,-1.8 9,-2.6 -10,-0.2 2,-0.4 -0.980 25.5-130.1-153.6 159.1 44.7 -41.7 6.2 23 238 A F E -AB 11 30A 69 -12,-2.0 -12,-2.4 -2,-0.3 2,-0.6 -0.932 20.3-125.4-118.4 140.8 44.6 -44.6 3.7 24 239 A E E > -A 10 0A 39 5,-2.7 4,-3.6 -2,-0.4 5,-0.5 -0.737 17.4-147.8 -83.3 119.1 42.8 -47.9 4.2 25 240 A R T 4 S+ 0 0 126 -16,-3.0 -1,-0.2 -2,-0.6 -15,-0.1 0.926 94.0 51.2 -52.5 -52.3 45.5 -50.7 3.6 26 241 A K T 4 S+ 0 0 139 -17,-0.4 -1,-0.2 1,-0.2 -16,-0.1 0.882 129.8 16.2 -52.1 -46.7 43.0 -53.1 2.1 27 242 A T T 4 S- 0 0 60 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.552 90.5-130.0-110.6 -13.5 41.5 -50.7 -0.5 28 243 A C < + 0 0 101 -4,-3.6 2,-0.2 1,-0.2 -3,-0.2 0.797 58.8 147.7 61.5 29.6 44.0 -47.9 -0.6 29 244 A K - 0 0 139 -5,-0.5 -5,-2.7 1,-0.1 -1,-0.2 -0.637 51.0-110.1 -95.0 154.1 41.1 -45.5 -0.1 30 245 A K E +B 23 0A 83 -2,-0.2 47,-0.5 -7,-0.2 2,-0.3 -0.560 38.4 175.3 -79.6 144.2 41.3 -42.2 1.7 31 246 A V E -B 22 0A 1 -9,-2.6 -9,-1.8 -2,-0.2 2,-0.5 -0.961 28.0-124.7-140.0 159.6 39.5 -41.8 5.0 32 247 A A E -BC 21 75A 14 43,-2.5 43,-3.4 -2,-0.3 2,-0.5 -0.924 22.0-163.5-105.2 134.2 39.3 -39.0 7.6 33 248 A I E -BC 20 74A 0 -13,-2.3 -13,-2.2 -2,-0.5 2,-0.4 -0.954 3.6-156.8-121.4 114.7 40.3 -39.9 11.1 34 249 A K E -BC 19 73A 26 39,-2.9 39,-3.1 -2,-0.5 2,-0.4 -0.751 10.5-155.1 -90.4 132.9 39.2 -37.6 14.0 35 250 A I E - C 0 72A 18 -17,-3.5 2,-0.4 -2,-0.4 37,-0.2 -0.918 12.5-178.6-114.3 132.9 41.3 -37.8 17.1 36 251 A I E - C 0 71A 50 35,-2.5 35,-2.0 -2,-0.4 -2,-0.0 -0.957 20.4-136.4-134.8 116.3 40.1 -36.9 20.6 37 252 A S 0 0 89 -2,-0.4 33,-0.1 33,-0.2 32,-0.0 -0.164 360.0 360.0 -63.5 163.2 42.3 -37.1 23.8 38 253 A K 0 0 116 31,-0.4 -1,-0.1 3,-0.0 3,-0.1 0.541 360.0 360.0-132.5 360.0 40.8 -38.6 26.9 39 ! 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 40 266 A P > 0 0 95 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 72.9 34.8 -37.3 28.1 41 267 A A H > + 0 0 49 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.869 360.0 58.9 -63.2 -38.7 33.7 -40.9 27.2 42 268 A L H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.891 104.4 48.7 -62.6 -42.2 30.1 -39.9 27.1 43 269 A N H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 118.3 40.7 -63.6 -45.0 30.5 -37.3 24.4 44 270 A V H X S+ 0 0 8 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.891 115.2 52.2 -65.9 -41.5 32.5 -39.7 22.3 45 271 A E H X S+ 0 0 131 -4,-3.8 4,-2.8 1,-0.2 -2,-0.2 0.896 108.9 50.3 -63.3 -41.1 30.1 -42.5 23.2 46 272 A T H X S+ 0 0 36 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.908 111.3 48.3 -63.5 -43.1 27.2 -40.5 22.1 47 273 A E H X S+ 0 0 6 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.919 114.1 45.4 -64.3 -43.9 28.8 -39.6 18.8 48 274 A I H X S+ 0 0 23 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.919 113.4 50.9 -64.4 -42.8 29.7 -43.3 18.1 49 275 A E H X S+ 0 0 54 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.921 114.7 44.0 -58.6 -45.1 26.2 -44.3 19.2 50 276 A I H X S+ 0 0 7 -4,-2.7 4,-1.1 1,-0.2 3,-0.5 0.939 111.2 50.4 -68.9 -49.4 24.7 -41.7 16.9 51 277 A L H < S+ 0 0 8 -4,-2.9 11,-0.4 1,-0.2 -1,-0.2 0.817 106.1 56.4 -61.4 -34.0 26.8 -42.3 13.8 52 278 A K H < S+ 0 0 110 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 111.1 42.8 -65.8 -36.6 26.3 -46.1 13.8 53 279 A K H < S+ 0 0 83 -4,-1.0 2,-0.2 -3,-0.5 -1,-0.2 0.636 96.3 92.4 -88.3 -16.0 22.5 -45.8 13.7 54 280 A L < - 0 0 20 -4,-1.1 2,-0.3 -3,-0.1 58,-0.0 -0.560 44.3-179.7 -88.1 144.5 22.2 -43.0 11.1 55 281 A N + 0 0 121 -2,-0.2 5,-0.1 6,-0.1 3,-0.1 -0.809 29.1 123.4-142.1 98.8 21.7 -43.5 7.3 56 282 A H > - 0 0 36 3,-0.4 3,-1.9 -2,-0.3 -2,-0.0 -0.960 58.0-129.1-159.6 138.9 21.5 -40.4 5.2 57 283 A P T 3 S+ 0 0 37 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.769 111.1 48.9 -59.3 -31.8 23.4 -38.9 2.1 58 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.4 46,-0.1 2,-0.4 0.091 100.7 77.6-100.5 22.3 23.8 -35.5 3.8 59 285 A I B < S-e 140 0B 3 -3,-1.9 -3,-0.4 80,-0.3 82,-0.1 -0.994 87.2-114.9-130.2 127.9 25.1 -37.1 7.0 60 286 A I - 0 0 6 80,-2.3 2,-0.4 -2,-0.4 -6,-0.1 -0.212 28.3-130.2 -66.3 148.7 28.7 -38.4 7.3 61 287 A K - 0 0 58 -4,-0.1 15,-1.6 -6,-0.0 2,-0.3 -0.773 6.1-135.5-105.2 140.1 29.3 -42.1 7.8 62 288 A I E +D 75 0A 36 -11,-0.4 13,-0.3 -2,-0.4 3,-0.1 -0.681 19.6 178.2 -87.3 146.0 31.5 -43.8 10.3 63 289 A K E - 0 0 106 11,-2.7 2,-0.3 1,-0.5 12,-0.2 0.656 63.3 -10.9-116.6 -33.8 33.8 -46.6 9.0 64 290 A N E -D 74 0A 44 10,-1.2 10,-2.3 2,-0.0 -1,-0.5 -0.977 53.2-152.9-160.0 166.9 35.7 -47.6 12.1 65 291 A F E -D 73 0A 58 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.984 2.9-164.9-151.3 140.7 36.5 -46.7 15.7 66 292 A F E -D 72 0A 25 6,-2.8 6,-2.7 -2,-0.3 2,-0.7 -0.992 5.0-162.2-131.0 129.8 39.4 -47.3 18.0 67 293 A D E +D 71 0A 101 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.839 46.2 109.3-113.1 92.5 39.4 -46.8 21.8 68 294 A A S S- 0 0 36 2,-2.5 -2,-0.0 -2,-0.7 0, 0.0 -0.247 85.9 -23.3-133.5-141.2 43.0 -46.7 23.1 69 295 A E S S+ 0 0 80 -2,-0.1 -31,-0.4 -32,-0.0 2,-0.2 0.842 137.7 7.2 -48.5 -35.6 45.5 -44.2 24.5 70 296 A D S S- 0 0 42 -33,-0.1 -2,-2.5 -32,-0.1 2,-0.6 -0.726 94.6 -90.1-129.8-173.2 43.3 -41.7 22.7 71 297 A Y E -CD 36 67A 22 -35,-2.0 -35,-2.5 -2,-0.2 2,-0.6 -0.912 38.8-169.8-105.5 113.8 40.0 -41.8 20.8 72 298 A Y E -CD 35 66A 10 -6,-2.7 -6,-2.8 -2,-0.6 2,-0.5 -0.904 2.5-172.5-109.7 120.1 40.3 -42.5 17.1 73 299 A I E -CD 34 65A 0 -39,-3.1 -39,-2.9 -2,-0.6 2,-0.4 -0.932 9.4-154.0-117.1 117.2 37.2 -42.1 14.8 74 300 A V E +CD 33 64A 0 -10,-2.3 -11,-2.7 -2,-0.5 -10,-1.2 -0.732 25.3 162.4 -92.9 131.2 37.4 -43.2 11.2 75 301 A L E -CD 32 62A 8 -43,-3.4 -43,-2.5 -2,-0.4 -13,-0.2 -0.844 43.3 -73.7-140.0 170.3 35.0 -41.5 8.8 76 302 A E - 0 0 35 -15,-1.6 2,-0.5 -2,-0.3 -45,-0.2 -0.364 49.6-120.5 -61.5 147.3 34.4 -40.8 5.1 77 303 A L - 0 0 42 -47,-0.5 2,-0.7 -46,-0.1 -1,-0.1 -0.841 18.6-156.7 -92.7 128.0 36.7 -38.3 3.5 78 304 A M > - 0 0 20 -2,-0.5 3,-1.3 1,-0.1 51,-0.2 -0.920 1.3-160.4-102.7 113.2 35.1 -35.2 2.0 79 305 A E T 3 S+ 0 0 123 -2,-0.7 51,-0.2 51,-0.6 52,-0.2 0.660 84.8 64.9 -71.5 -15.1 37.4 -33.8 -0.6 80 306 A G T 3 S- 0 0 13 49,-2.3 -1,-0.3 1,-0.2 50,-0.2 0.635 92.9-151.1 -81.4 -15.2 35.8 -30.4 -0.5 81 307 A G E < -F 129 0B 28 -3,-1.3 48,-2.8 48,-0.6 2,-0.3 -0.389 43.5 -16.5 77.2-157.0 36.8 -29.7 3.1 82 308 A E E > -F 128 0B 74 46,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.624 49.4-132.7 -89.6 141.5 34.8 -27.5 5.4 83 309 A L T >> S+ 0 0 0 44,-3.1 3,-1.4 41,-0.8 4,-0.9 0.803 103.2 74.5 -54.5 -29.9 32.2 -25.0 4.4 84 310 A F H >> S+ 0 0 69 40,-1.2 4,-2.0 43,-0.3 3,-1.0 0.869 88.2 57.2 -53.4 -40.7 33.9 -22.6 6.7 85 311 A D H <4 S+ 0 0 93 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.742 101.8 56.9 -66.3 -23.2 36.8 -22.2 4.2 86 312 A K H <4 S+ 0 0 75 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.757 117.9 30.4 -75.6 -25.8 34.3 -21.0 1.5 87 313 A V H X< S+ 0 0 11 -3,-1.0 3,-0.6 -4,-0.9 4,-0.3 0.597 87.9 115.2-113.2 -16.1 33.0 -18.2 3.6 88 314 A V G >< S+ 0 0 55 -4,-2.0 3,-0.8 1,-0.2 109,-0.0 -0.228 76.8 23.8 -60.2 144.7 35.8 -17.0 5.8 89 315 A G G 3 S- 0 0 68 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.851 134.3 -60.8 69.0 35.8 37.2 -13.5 5.2 90 316 A N G < S+ 0 0 122 -3,-0.6 -1,-0.2 106,-0.3 -2,-0.2 0.481 88.8 150.5 73.2 3.2 34.0 -12.1 3.6 91 317 A K < - 0 0 123 -3,-0.8 2,-0.4 -4,-0.3 -1,-0.2 -0.428 30.6-156.7 -59.0 141.4 34.0 -14.5 0.7 92 318 A R - 0 0 77 -3,-0.1 2,-0.2 103,-0.1 102,-0.1 -0.992 10.0-134.1-130.8 133.7 30.4 -15.0 -0.4 93 319 A L - 0 0 21 100,-1.0 2,-0.1 -2,-0.4 5,-0.0 -0.492 35.6-102.0 -75.1 147.6 28.8 -17.9 -2.3 94 320 A K >> - 0 0 119 -2,-0.2 4,-1.9 1,-0.1 3,-1.0 -0.432 37.0-107.6 -70.2 150.1 26.5 -17.1 -5.1 95 321 A E H 3> S+ 0 0 48 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.850 116.3 52.3 -48.3 -50.3 22.8 -17.5 -4.3 96 322 A A H 3> S+ 0 0 64 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.842 109.9 50.7 -61.0 -33.8 22.1 -20.7 -6.3 97 323 A T H <> S+ 0 0 5 -3,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.887 108.3 52.4 -68.0 -40.4 25.1 -22.3 -4.6 98 324 A C H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.900 109.1 51.1 -59.4 -40.7 23.7 -21.3 -1.2 99 325 A K H X S+ 0 0 24 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.940 108.7 49.3 -65.9 -46.8 20.4 -22.8 -2.0 100 326 A L H X S+ 0 0 6 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.872 115.9 43.1 -60.7 -39.3 21.8 -26.1 -3.1 101 327 A Y H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.908 115.8 47.7 -72.4 -42.3 23.9 -26.4 0.1 102 328 A F H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.863 105.0 58.0 -71.6 -38.7 21.1 -25.2 2.4 103 329 A Y H X S+ 0 0 28 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.888 110.8 45.2 -55.1 -39.6 18.5 -27.5 0.9 104 330 A Q H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.2 -2,-0.2 0.870 109.1 54.6 -74.8 -37.3 20.8 -30.4 1.8 105 331 A M H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.905 109.8 48.8 -60.2 -40.7 21.5 -29.0 5.3 106 332 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.947 108.7 51.5 -65.1 -49.1 17.7 -28.9 5.9 107 333 A L H X S+ 0 0 30 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 112.6 47.8 -52.1 -44.2 17.2 -32.5 4.7 108 334 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.960 115.0 42.5 -64.1 -52.3 20.0 -33.6 7.1 109 335 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.803 112.3 54.7 -69.2 -29.5 18.7 -31.7 10.1 110 336 A Q H X S+ 0 0 36 -4,-3.0 4,-3.2 -5,-0.2 -1,-0.2 0.947 109.3 48.4 -64.1 -46.4 15.1 -32.7 9.3 111 337 A Y H X S+ 0 0 40 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.912 112.0 49.3 -58.9 -46.0 16.3 -36.4 9.3 112 338 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.8 0.964 113.4 45.9 -55.8 -54.1 18.1 -35.8 12.6 113 339 A H H ><5S+ 0 0 6 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.898 107.9 56.0 -61.0 -41.9 15.0 -34.2 14.2 114 340 A E H 3<5S+ 0 0 130 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.798 109.5 49.5 -57.9 -28.0 12.7 -36.9 12.8 115 341 A N T <<5S- 0 0 86 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.163 122.6-103.5-100.2 16.3 14.9 -39.4 14.6 116 342 A G T < 5S+ 0 0 19 -3,-1.9 33,-3.0 1,-0.2 2,-0.4 0.769 78.1 130.8 71.5 28.8 15.0 -37.6 18.0 117 343 A I E < -H 148 0C 13 -5,-2.2 2,-0.5 31,-0.2 -1,-0.2 -0.953 39.7-163.4-118.7 132.9 18.5 -36.2 17.6 118 344 A I E -H 147 0C 1 29,-2.7 29,-2.1 -2,-0.4 61,-0.0 -0.960 6.3-159.4-114.9 119.6 19.5 -32.5 18.2 119 345 A H - 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0 0 40 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.240 19.7-124.3 -67.7 156.6 16.7 -12.0 -3.6 230 457 A E H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.759 111.2 58.2 -71.8 -25.2 13.8 -11.1 -1.3 231 458 A K H > S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.928 106.3 47.2 -66.9 -45.7 12.8 -14.8 -1.1 232 459 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.913 114.4 46.0 -63.5 -45.8 16.2 -15.8 0.3 233 460 A L H X S+ 0 0 29 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.878 107.9 58.7 -62.7 -40.5 16.2 -13.0 2.9 234 461 A D H X S+ 0 0 57 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.912 104.3 50.1 -56.2 -46.0 12.6 -13.8 3.8 235 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.883 109.7 50.9 -62.2 -40.6 13.6 -17.3 4.8 236 463 A V H >X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 3,-0.8 0.925 107.4 53.4 -60.8 -47.7 16.4 -16.0 6.9 237 464 A K H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 108.4 51.5 -57.2 -29.9 14.1 -13.6 8.7 238 465 A K H 3< S+ 0 0 77 -4,-1.3 10,-1.8 -5,-0.2 3,-0.3 0.696 112.4 43.9 -84.5 -19.4 11.8 -16.6 9.4 239 466 A L H << S+ 0 0 0 -4,-1.0 2,-0.6 -3,-0.8 -2,-0.2 0.752 103.9 63.8 -92.2 -30.5 14.6 -18.7 11.0 240 467 A L S < S+ 0 0 9 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.193 72.6 138.8 -89.2 44.7 16.1 -15.9 13.0 241 468 A V - 0 0 41 -2,-0.6 6,-0.2 -3,-0.3 -25,-0.1 -0.804 50.0-146.8 -88.6 126.4 12.9 -15.6 15.1 242 469 A V S S+ 0 0 73 -2,-0.5 -1,-0.1 -27,-0.1 -26,-0.1 0.845 81.5 76.5 -62.8 -37.4 13.6 -15.1 18.8 243 470 A D S > S- 0 0 86 1,-0.1 4,-2.0 -3,-0.0 3,-0.4 -0.699 71.2-153.4 -82.8 114.9 10.5 -17.0 19.9 244 471 A P T 4 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.846 92.9 54.5 -55.4 -44.1 11.2 -20.8 19.5 245 472 A K T 4 S+ 0 0 66 1,-0.2 -2,-0.0 3,-0.0 -71,-0.0 0.884 115.5 40.0 -57.9 -39.6 7.4 -21.7 19.1 246 473 A A T 4 S+ 0 0 59 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.754 92.2 107.3 -85.0 -26.0 7.2 -19.2 16.2 247 474 A R S < S- 0 0 23 -4,-2.0 -8,-0.2 -6,-0.2 2,-0.1 -0.134 82.0 -96.3 -52.8 146.8 10.5 -20.0 14.6 248 475 A F - 0 0 35 -10,-1.8 2,-0.2 -13,-0.1 -1,-0.1 -0.424 35.1-142.3 -65.5 136.3 10.4 -22.0 11.4 249 476 A T > - 0 0 57 -2,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.501 32.1 -99.6 -86.1 168.8 10.9 -25.7 11.6 250 477 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 125.2 51.9 -53.6 -45.7 12.9 -27.7 9.0 251 478 A E H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.931 109.9 47.1 -57.7 -49.7 9.7 -28.7 7.3 252 479 A E H 4 S+ 0 0 64 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.868 112.3 52.4 -60.2 -37.4 8.4 -25.2 7.1 253 480 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 6,-0.3 0.943 106.1 52.1 -62.2 -49.1 11.7 -24.2 5.8 254 481 A L H 3< S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.608 108.9 52.3 -65.2 -13.8 11.6 -26.9 3.0 255 482 A R T 3< S+ 0 0 174 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.493 83.0 119.0 -97.9 -6.3 8.2 -25.6 2.0 256 483 A H S X S- 0 0 5 -3,-1.7 3,-1.8 -4,-0.4 4,-0.3 -0.260 76.6-119.4 -58.9 144.0 9.4 -22.0 1.7 257 484 A P G > S+ 0 0 83 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.743 111.0 67.3 -57.7 -23.1 9.1 -20.5 -1.8 258 485 A W G 3 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.759 102.7 45.2 -69.5 -23.9 12.9 -20.0 -1.9 259 486 A L G < S+ 0 0 0 -3,-1.8 2,-1.4 -6,-0.3 -1,-0.2 0.316 83.2 96.7-102.2 6.3 13.4 -23.8 -2.0 260 487 A Q < + 0 0 91 -3,-1.0 2,-0.6 -4,-0.3 -1,-0.1 -0.482 52.5 132.2 -89.9 64.5 10.7 -24.4 -4.6 261 488 A D > - 0 0 43 -2,-1.4 4,-2.0 1,-0.1 5,-0.2 -0.881 40.5-168.8-125.6 94.6 13.4 -24.5 -7.2 262 489 A E H > S+ 0 0 117 -2,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.694 85.9 55.9 -64.2 -22.1 13.1 -27.5 -9.5 263 490 A D H > S+ 0 0 108 2,-0.2 4,-2.7 3,-0.1 5,-0.3 0.966 106.6 48.5 -69.5 -55.7 16.5 -26.9 -11.1 264 491 A M H > S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.911 111.8 49.6 -49.9 -49.4 18.4 -27.0 -7.8 265 492 A K H X S+ 0 0 45 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.889 110.1 51.7 -60.6 -39.9 16.6 -30.2 -6.7 266 493 A R H X S+ 0 0 128 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.959 107.6 50.4 -59.0 -54.3 17.5 -31.8 -10.1 267 494 A K H X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.803 110.5 53.1 -55.8 -29.6 21.2 -31.0 -9.7 268 495 A F H X S+ 0 0 11 -4,-1.6 4,-2.8 -5,-0.3 -1,-0.2 0.936 105.7 50.6 -72.0 -48.1 21.0 -32.5 -6.3 269 496 A Q H X S+ 0 0 98 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.914 110.9 52.5 -52.7 -44.5 19.5 -35.8 -7.6 270 497 A D H X S+ 0 0 101 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.972 110.3 44.1 -55.7 -56.9 22.3 -35.9 -10.1 271 498 A L H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.872 114.3 51.6 -60.4 -38.5 25.1 -35.4 -7.6 272 499 A L H X S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.914 110.1 49.2 -62.3 -43.2 23.4 -38.0 -5.3 273 500 A S H X S+ 0 0 69 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.893 108.5 52.5 -64.2 -41.5 23.2 -40.4 -8.2 274 501 A E H < S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 110.8 47.2 -63.2 -42.4 26.8 -40.0 -9.1 275 502 A E H < S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.903 111.9 51.4 -64.0 -41.5 27.9 -40.7 -5.6 276 503 A N H >< S+ 0 0 76 -4,-2.1 3,-2.0 -5,-0.2 -2,-0.2 0.875 91.9 91.0 -63.3 -39.3 25.6 -43.8 -5.4 277 504 A E T 3< S+ 0 0 78 -4,-2.3 4,-0.1 1,-0.3 0, 0.0 -0.329 88.4 28.9 -62.6 138.9 27.0 -45.2 -8.7 278 505 A S T 3 S+ 0 0 108 2,-0.3 -1,-0.3 -2,-0.0 -2,-0.1 0.283 118.7 62.6 88.5 -8.0 29.9 -47.5 -8.1 279 506 A T S < S+ 0 0 101 -3,-2.0 2,-0.5 2,-0.1 -2,-0.2 0.268 85.9 97.5-117.7 3.3 28.4 -48.3 -4.8 280 507 A A - 0 0 63 -4,-0.2 -2,-0.3 3,-0.0 3,-0.1 -0.849 63.0-142.1-110.9 126.0 25.2 -49.8 -6.2 281 508 A L - 0 0 72 -2,-0.5 -2,-0.1 1,-0.1 2,-0.0 -0.398 41.0 -86.7 -73.2 154.2 24.4 -53.4 -6.9 282 509 A P - 0 0 129 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.335 50.0-122.7 -63.4 144.3 22.4 -54.4 -10.0 283 510 A Q - 0 0 162 -3,-0.1 2,-0.5 1,-0.0 -3,-0.0 -0.624 10.3-118.2 -96.8 148.0 18.7 -54.2 -9.5 284 511 A V 0 0 152 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 -0.738 360.0 360.0 -78.3 125.4 16.0 -56.9 -9.9 285 512 A L 0 0 146 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.901 360.0 360.0-127.9 360.0 13.7 -55.7 -12.6