==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-12 4BDB . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.SILVA-SANTISTEBAN,I.M.WESTWOOD,K.BOXALL,N.BROWN,S.PEACOC . 283 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 66.4 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 . 36 12.7 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 32.2 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 1 0 0 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 2 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 0 164 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-119.2 -56.9 36.8 20.2 2 210 A S - 0 0 114 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.873 360.0-109.0-165.2-173.9 -54.8 40.1 20.5 3 211 A V - 0 0 126 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.884 24.9-105.8-130.5 164.4 -53.5 43.0 18.2 4 212 A Y - 0 0 64 -2,-0.3 5,-0.0 1,-0.1 10,-0.0 -0.623 52.0 -90.1 -83.2 149.8 -50.2 44.2 16.7 5 213 A P >> - 0 0 28 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.281 30.3-123.3 -62.1 145.2 -48.7 47.4 18.2 6 214 A K H 3> S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.833 111.2 59.7 -55.6 -37.0 -49.8 50.7 16.6 7 215 A A H 3> S+ 0 0 55 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.845 109.3 42.5 -61.4 -40.2 -46.1 51.6 15.9 8 216 A L H X> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 3,-1.3 0.949 113.2 51.9 -68.0 -53.0 -45.7 48.4 13.7 9 217 A R H 3< S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.728 101.9 63.6 -56.0 -28.8 -49.1 48.8 12.0 10 218 A D H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.847 118.1 23.4 -65.2 -37.4 -48.1 52.4 11.2 11 219 A E H << S+ 0 0 76 -3,-1.3 16,-2.7 -4,-0.6 17,-0.4 0.616 122.4 47.8-102.8 -24.8 -45.2 51.2 8.9 12 220 A Y E < -A 26 0A 5 -4,-2.3 2,-0.6 14,-0.2 14,-0.2 -0.965 58.4-144.6-129.5 146.2 -46.3 47.6 7.9 13 221 A I E -A 25 0A 86 12,-2.2 12,-2.3 -2,-0.3 2,-0.1 -0.951 35.4-139.7-102.7 109.8 -49.3 45.8 6.5 14 222 A M E +A 24 0A 35 -2,-0.6 10,-0.2 10,-0.2 2,-0.2 -0.453 30.5 161.7 -76.4 147.6 -49.2 42.3 8.2 15 223 A S E - 0 0 54 8,-2.5 8,-0.1 1,-0.3 -1,-0.1 -0.555 36.4 -14.2-141.0-159.8 -50.0 39.0 6.3 16 224 A K E S- 0 0 65 -2,-0.2 7,-3.2 6,-0.2 -1,-0.3 0.080 72.1 -85.6 -50.5 156.1 -49.6 35.1 6.4 17 225 A T E A 22 0A 85 5,-0.3 5,-0.3 1,-0.0 -1,-0.1 -0.415 360.0 360.0 -70.7 137.3 -47.2 33.0 8.6 18 226 A L 0 0 86 3,-3.7 17,-0.1 17,-0.2 4,-0.1 -0.367 360.0 360.0 55.5 360.0 -43.5 32.4 7.4 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 20 233 A E 0 0 122 0, 0.0 17,-3.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.7 -42.8 33.0 15.1 21 234 A V E - B 0 36A 51 15,-0.2 -3,-3.7 13,-0.0 2,-0.3 -0.948 360.0-177.5-118.6 133.2 -42.3 34.6 11.5 22 235 A K E -AB 17 35A 43 13,-2.0 13,-3.4 -2,-0.4 2,-0.4 -0.897 28.0-116.8-124.4 155.9 -45.0 36.5 9.4 23 236 A L E + B 0 34A 34 -7,-3.2 -8,-2.5 -2,-0.3 2,-0.3 -0.745 40.5 173.6 -89.3 137.2 -45.0 38.0 6.0 24 237 A A E -AB 14 33A 0 9,-2.3 9,-3.1 -2,-0.4 2,-0.5 -0.949 27.9-129.5-141.7 161.6 -45.5 41.8 5.9 25 238 A F E -AB 13 32A 68 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.4 -0.962 20.9-130.0-115.8 126.0 -45.5 44.7 3.5 26 239 A E E > -A 12 0A 29 5,-2.8 4,-2.7 -2,-0.5 5,-0.4 -0.638 16.8-147.8 -72.7 123.0 -43.4 47.8 4.1 27 240 A R T 4 S+ 0 0 122 -16,-2.7 -1,-0.2 -2,-0.4 -15,-0.1 0.864 93.0 54.7 -60.7 -39.3 -46.0 50.6 3.5 28 241 A K T 4 S+ 0 0 138 -17,-0.4 -1,-0.2 1,-0.2 -16,-0.1 0.825 127.2 17.3 -63.1 -38.4 -43.3 53.1 2.2 29 242 A T T 4 S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.582 89.4-130.9-112.0 -20.2 -41.9 50.7 -0.5 30 243 A C < + 0 0 99 -4,-2.7 2,-0.3 1,-0.3 -3,-0.1 0.635 61.0 145.4 66.8 20.1 -44.7 48.0 -0.9 31 244 A K - 0 0 148 -5,-0.4 -5,-2.8 1,-0.1 -1,-0.3 -0.627 55.2-107.4 -90.1 144.6 -41.9 45.5 -0.6 32 245 A K E +B 25 0A 101 -2,-0.3 45,-0.5 -7,-0.2 2,-0.3 -0.471 42.1 175.0 -70.9 136.1 -42.2 42.1 1.1 33 246 A V E -BC 24 76A 2 -9,-3.1 -9,-2.3 -2,-0.2 2,-0.4 -0.861 27.6-124.3-133.5 168.2 -40.6 41.8 4.5 34 247 A A E -BC 23 75A 9 41,-2.7 41,-3.3 -2,-0.3 2,-0.6 -0.973 19.0-155.0-116.8 131.7 -40.5 39.0 7.2 35 248 A I E -BC 22 74A 0 -13,-3.4 -13,-2.0 -2,-0.4 2,-0.6 -0.933 2.9-155.5-114.2 113.1 -41.5 39.9 10.8 36 249 A K E -BC 21 73A 26 37,-3.2 37,-2.5 -2,-0.6 2,-0.7 -0.758 7.0-158.6 -86.3 116.2 -40.1 37.7 13.7 37 250 A I E - C 0 72A 28 -17,-3.9 2,-0.5 -2,-0.6 35,-0.2 -0.891 7.8-171.1-101.0 110.3 -42.3 37.7 16.8 38 251 A I E - C 0 71A 45 33,-2.1 33,-2.6 -2,-0.7 2,-0.1 -0.908 24.8-120.9-102.1 125.9 -40.4 36.8 20.0 39 252 A S 0 0 85 -2,-0.5 31,-0.1 31,-0.2 30,-0.0 -0.352 360.0 360.0 -66.9 144.2 -42.6 36.2 23.2 40 253 A K 0 0 134 29,-0.3 -1,-0.1 -2,-0.1 30,-0.1 0.702 360.0 360.0 -99.9 360.0 -42.0 38.4 26.3 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 42 268 A L >> 0 0 94 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -40.5 -33.9 41.6 27.0 43 269 A N H 3> + 0 0 108 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.749 360.0 67.5 -68.5 -25.8 -31.4 39.0 25.5 44 270 A V H 3> S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.791 90.8 60.7 -62.2 -34.5 -33.1 40.0 22.2 45 271 A E H <> S+ 0 0 92 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.850 104.9 47.2 -65.5 -36.3 -31.6 43.5 22.5 46 272 A T H X S+ 0 0 48 -4,-0.6 4,-2.8 -3,-0.4 -2,-0.2 0.884 111.3 50.9 -70.1 -41.5 -28.1 41.9 22.4 47 273 A E H X S+ 0 0 26 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.916 112.5 47.3 -60.8 -42.6 -29.2 39.8 19.4 48 274 A I H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.913 112.0 50.5 -62.3 -46.6 -30.4 43.2 17.8 49 275 A E H X S+ 0 0 58 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.885 112.4 45.7 -60.3 -44.4 -27.1 44.8 18.8 50 276 A I H >X S+ 0 0 13 -4,-2.8 4,-1.6 2,-0.2 3,-0.6 0.965 114.2 48.6 -62.6 -54.2 -25.1 42.0 17.1 51 277 A L H 3< S+ 0 0 8 -4,-2.7 11,-0.2 1,-0.2 -2,-0.2 0.855 108.9 52.7 -54.8 -44.4 -27.3 42.0 14.0 52 278 A K H 3< S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 111.0 48.0 -62.4 -34.8 -27.0 45.8 13.5 53 279 A K H << S+ 0 0 80 -4,-1.3 2,-0.2 -3,-0.6 -1,-0.2 0.800 96.3 86.8 -76.2 -32.8 -23.2 45.6 13.7 54 280 A L < + 0 0 14 -4,-1.6 2,-0.3 -3,-0.1 58,-0.0 -0.538 48.2 178.4 -79.8 136.8 -22.8 42.7 11.2 55 281 A N + 0 0 116 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.734 28.4 126.3-139.3 84.2 -22.6 43.4 7.4 56 282 A H > - 0 0 28 3,-0.4 3,-1.5 -2,-0.3 52,-0.0 -0.993 58.6-129.8-137.3 142.6 -22.1 40.2 5.3 57 283 A P T 3 S+ 0 0 36 0, 0.0 4,-0.1 0, 0.0 51,-0.0 0.644 110.0 50.8 -69.6 -12.4 -24.2 38.9 2.3 58 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.4 81,-0.1 2,-0.4 0.175 99.2 77.5-108.5 15.7 -24.6 35.4 4.0 59 285 A I B < S-e 140 0B 3 -3,-1.5 -3,-0.4 80,-0.3 82,-0.2 -0.997 90.0-108.9-125.8 126.6 -25.8 36.8 7.3 60 286 A I - 0 0 5 80,-2.4 2,-0.4 -2,-0.4 -6,-0.1 -0.154 31.8-137.7 -52.5 139.3 -29.4 38.0 7.8 61 287 A K - 0 0 64 -4,-0.1 15,-1.2 -6,-0.1 2,-0.4 -0.860 6.6-130.5-107.5 140.8 -29.9 41.8 8.1 62 288 A I E +D 75 0A 31 -2,-0.4 13,-0.2 -11,-0.2 3,-0.1 -0.748 22.1 179.6 -89.2 129.7 -32.3 43.6 10.6 63 289 A K E - 0 0 103 11,-3.4 2,-0.3 1,-0.4 12,-0.2 0.722 64.6 -14.3-101.0 -33.0 -34.5 46.2 8.9 64 290 A N E -D 74 0A 43 10,-1.3 10,-2.8 2,-0.0 -1,-0.4 -0.970 55.6-145.7-165.2 163.5 -36.5 47.4 12.0 65 291 A F E -D 73 0A 41 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.998 3.8-166.4-145.6 138.0 -37.3 46.6 15.6 66 292 A F E -D 72 0A 21 6,-2.8 6,-2.6 -2,-0.3 2,-0.8 -0.982 4.9-163.7-128.5 115.8 -40.4 47.1 17.8 67 293 A D E +D 71 0A 92 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.870 45.5 119.3-100.2 94.9 -40.2 46.7 21.7 68 294 A A S S- 0 0 34 2,-2.2 -64,-0.0 -2,-0.8 3,-0.0 -0.126 84.9 -34.9-127.6-138.6 -43.9 46.3 22.7 69 295 A E S S+ 0 0 167 -2,-0.1 -29,-0.3 2,-0.0 2,-0.2 0.750 138.7 8.2 -63.1 -26.2 -46.1 43.6 24.5 70 296 A D S S- 0 0 49 -31,-0.1 -2,-2.2 -30,-0.1 2,-0.4 -0.806 98.5 -90.9-139.2 173.1 -43.8 41.2 22.6 71 297 A Y E -CD 38 67A 25 -33,-2.6 -33,-2.1 -2,-0.2 2,-0.5 -0.814 34.2-162.5 -94.9 134.1 -40.6 41.8 20.5 72 298 A Y E -CD 37 66A 12 -6,-2.6 -6,-2.8 -2,-0.4 2,-0.5 -0.989 4.5-170.9-120.4 118.8 -41.1 42.4 16.7 73 299 A I E -CD 36 65A 4 -37,-2.5 -37,-3.2 -2,-0.5 2,-0.6 -0.969 10.9-151.7-114.3 116.4 -38.0 42.0 14.5 74 300 A V E +CD 35 64A 0 -10,-2.8 -11,-3.4 -2,-0.5 -10,-1.3 -0.785 27.1 170.6 -90.7 120.5 -38.3 43.1 10.9 75 301 A L E -CD 34 62A 18 -41,-3.3 -41,-2.7 -2,-0.6 -13,-0.2 -0.826 40.6 -82.1-126.7 166.8 -36.0 41.1 8.6 76 302 A E E -C 33 0A 44 -15,-1.2 2,-0.3 -2,-0.3 -43,-0.1 -0.447 52.4-113.2 -68.3 135.9 -35.3 40.6 4.9 77 303 A L - 0 0 38 -45,-0.5 2,-0.7 -2,-0.1 -1,-0.1 -0.626 21.9-155.9 -77.2 132.0 -37.7 38.1 3.4 78 304 A M > - 0 0 23 -2,-0.3 3,-1.0 1,-0.1 52,-0.2 -0.944 3.9-167.6-112.2 103.1 -36.1 34.8 2.2 79 305 A E T 3 S+ 0 0 104 51,-1.1 52,-0.2 -2,-0.7 51,-0.2 0.608 83.1 60.3 -67.0 -17.0 -38.4 33.4 -0.5 80 306 A G T 3 S- 0 0 11 49,-2.1 -1,-0.2 1,-0.2 50,-0.2 0.579 93.2-153.0 -88.3 -13.9 -36.6 30.0 -0.4 81 307 A G E < -F 129 0B 27 -3,-1.0 48,-3.1 48,-0.6 -1,-0.2 -0.317 42.8 -13.3 75.2-156.1 -37.4 29.3 3.3 82 308 A E E > -F 128 0B 74 46,-0.2 3,-0.9 1,-0.1 4,-0.4 -0.577 48.9-133.4 -83.2 145.1 -35.3 27.1 5.6 83 309 A L T >> S+ 0 0 0 44,-3.2 3,-1.6 41,-1.0 4,-0.7 0.796 104.7 73.1 -62.5 -29.8 -32.5 24.6 4.5 84 310 A F H >> S+ 0 0 70 40,-1.0 4,-1.6 43,-0.3 3,-1.1 0.864 89.0 57.8 -50.1 -45.2 -34.3 22.1 6.9 85 311 A D H <4 S+ 0 0 79 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.691 105.0 51.8 -61.6 -23.4 -37.2 21.8 4.3 86 312 A K H <4 S+ 0 0 85 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.625 118.7 34.1 -87.4 -18.8 -34.6 20.6 1.6 87 313 A V H << S+ 0 0 11 -3,-1.1 3,-0.3 -4,-0.7 4,-0.2 0.480 89.5 116.6-114.8 -10.0 -33.0 17.9 3.8 88 314 A V S >< S+ 0 0 60 -4,-1.6 3,-0.9 1,-0.2 110,-0.0 -0.288 73.3 18.8 -66.1 146.3 -36.0 16.6 5.9 89 315 A G T 3 S- 0 0 66 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.919 135.4 -53.0 58.2 55.5 -37.3 13.0 5.6 90 316 A N T 3 S+ 0 0 131 107,-0.4 -1,-0.2 -3,-0.3 2,-0.2 0.494 95.6 148.8 60.5 11.8 -34.1 11.4 4.0 91 317 A K < - 0 0 102 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.2 -0.494 27.8-163.5 -73.2 140.8 -34.1 14.1 1.2 92 318 A R - 0 0 95 -2,-0.2 2,-0.2 -3,-0.1 103,-0.1 -0.952 14.6-130.1-132.0 150.6 -30.6 14.9 -0.1 93 319 A L - 0 0 22 101,-1.5 2,-0.2 -2,-0.3 104,-0.0 -0.631 36.3-100.0 -92.9 151.2 -29.0 17.7 -2.2 94 320 A K >> - 0 0 123 -2,-0.2 4,-1.6 1,-0.1 3,-1.6 -0.526 39.0-111.5 -70.7 137.8 -26.8 17.1 -5.2 95 321 A E H 3> S+ 0 0 52 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.796 117.6 55.8 -38.3 -45.0 -23.1 17.4 -4.2 96 322 A A H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.842 108.7 48.0 -59.8 -37.5 -22.6 20.6 -6.3 97 323 A T H <> S+ 0 0 2 -3,-1.6 4,-2.3 2,-0.2 5,-0.2 0.884 108.5 53.6 -71.3 -42.0 -25.5 22.3 -4.3 98 324 A C H X S+ 0 0 2 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.887 110.6 49.3 -55.4 -45.3 -24.1 21.1 -0.9 99 325 A K H X S+ 0 0 25 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.928 110.4 47.7 -62.4 -50.7 -20.8 22.9 -2.0 100 326 A L H X S+ 0 0 5 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.886 118.9 40.4 -58.5 -45.4 -22.4 26.2 -3.0 101 327 A Y H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.942 116.9 48.9 -69.8 -48.8 -24.5 26.4 0.2 102 328 A F H X S+ 0 0 2 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.881 106.6 55.9 -57.7 -45.4 -21.6 25.1 2.4 103 329 A Y H X S+ 0 0 25 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.911 110.3 46.1 -52.4 -48.8 -19.1 27.6 0.9 104 330 A Q H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.868 110.5 52.6 -63.0 -40.5 -21.5 30.5 1.9 105 331 A M H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.871 110.6 49.4 -62.7 -38.4 -22.0 29.0 5.4 106 332 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.902 111.0 47.4 -67.6 -44.8 -18.2 29.0 5.8 107 333 A L H X S+ 0 0 27 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.892 114.4 48.3 -61.4 -44.3 -17.8 32.6 4.6 108 334 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.924 115.4 43.1 -62.0 -48.0 -20.6 33.7 7.0 109 335 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.861 113.0 52.4 -70.9 -33.0 -19.1 31.8 10.0 110 336 A Q H X S+ 0 0 39 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.932 110.1 49.1 -66.7 -42.3 -15.5 33.0 9.1 111 337 A Y H X S+ 0 0 40 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.912 112.0 49.3 -59.4 -47.4 -16.9 36.6 9.1 112 338 A L H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 3,-0.3 0.940 113.6 45.0 -54.8 -54.9 -18.6 35.9 12.5 113 339 A H H ><5S+ 0 0 11 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.896 110.5 53.9 -60.1 -41.9 -15.4 34.5 14.0 114 340 A E H 3<5S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.824 111.6 47.6 -57.7 -36.6 -13.3 37.4 12.5 115 341 A N T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.182 121.7-106.5 -92.1 11.3 -15.8 39.8 14.3 116 342 A G T < 5S+ 0 0 16 -3,-1.6 33,-2.9 1,-0.2 2,-0.4 0.769 77.4 128.5 65.7 36.0 -15.6 38.0 17.7 117 343 A I E < -H 148 0C 12 -5,-2.4 2,-0.4 31,-0.2 -1,-0.2 -0.971 40.7-163.6-122.6 134.6 -19.1 36.4 17.5 118 344 A I E -H 147 0C 6 29,-2.2 29,-2.5 -2,-0.4 62,-0.1 -0.977 7.4-157.9-113.9 127.5 -19.9 32.6 18.0 119 345 A H - 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0 0 53 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.440 16.7-140.0 -75.0 146.1 -27.8 12.6 10.6 200 426 A P S S+ 0 0 0 0, 0.0 20,-2.6 0, 0.0 2,-0.4 0.768 93.7 38.0 -72.2 -27.3 -24.4 11.4 11.8 201 427 A F S S+ 0 0 21 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.998 78.2 138.7-128.9 121.0 -25.5 11.0 15.4 202 428 A S - 0 0 27 -2,-0.4 11,-0.1 2,-0.1 0, 0.0 -0.975 56.5-126.6-155.5 163.8 -29.1 9.7 16.2 203 429 A E S > S+ 0 0 80 -2,-0.3 3,-0.8 6,-0.0 2,-0.2 0.644 74.3 117.2 -88.4 -14.6 -31.0 7.4 18.5 204 430 A H T 3 S- 0 0 159 1,-0.2 -2,-0.1 -3,-0.0 3,-0.1 -0.347 89.9 -14.8 -62.2 123.9 -32.5 5.6 15.4 205 431 A R T 3 S+ 0 0 96 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.881 110.8 107.9 45.5 57.7 -31.6 1.8 15.1 206 432 A T < - 0 0 69 -3,-0.8 -1,-0.2 1,-0.1 0, 0.0 -0.989 58.1-153.9-157.2 152.0 -28.7 1.9 17.7 207 433 A Q S S+ 0 0 110 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.789 74.1 91.3 -93.4 -38.1 -27.7 0.8 21.2 208 434 A V S S- 0 0 66 1,-0.1 2,-0.1 2,-0.1 -2,-0.0 -0.360 84.5-111.8 -63.6 132.6 -25.1 3.5 21.9 209 435 A S > - 0 0 57 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.398 20.4-117.9 -68.2 147.5 -26.4 6.7 23.6 210 436 A L H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 117.4 52.9 -49.7 -43.7 -26.5 10.0 21.6 211 437 A K H > S+ 0 0 150 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 109.6 47.0 -55.8 -53.7 -24.1 11.4 24.2 212 438 A D H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 6,-0.3 0.827 108.6 55.2 -60.8 -38.7 -21.6 8.5 23.8 213 439 A Q H X>S+ 0 0 9 -4,-2.4 5,-1.7 2,-0.2 4,-1.2 0.905 113.4 42.3 -60.2 -45.3 -21.7 8.7 19.9 214 440 A I H <5S+ 0 0 63 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.935 113.5 48.2 -70.2 -51.0 -20.8 12.4 20.0 215 441 A T H <5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 118.8 41.4 -61.8 -35.7 -18.0 12.3 22.7 216 442 A S H <5S- 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.775 104.5-135.9 -77.4 -27.2 -16.4 9.3 21.0 217 443 A G T <5 + 0 0 13 -4,-1.2 2,-1.1 -5,-0.2 -3,-0.2 0.782 50.9 150.5 74.0 29.2 -17.0 11.0 17.6 218 444 A K < - 0 0 84 -5,-1.7 -1,-0.2 -6,-0.3 2,-0.1 -0.791 26.5-170.6 -96.6 87.4 -18.2 7.7 16.1 219 445 A Y - 0 0 56 -2,-1.1 2,-0.8 -3,-0.1 -18,-0.2 -0.457 33.0 -97.5 -76.6 154.2 -20.7 8.9 13.5 220 446 A N - 0 0 73 -20,-2.6 2,-0.6 -2,-0.1 -1,-0.1 -0.657 40.8-165.3 -77.9 107.4 -23.0 6.4 11.7 221 447 A F - 0 0 88 -2,-0.8 -1,-0.0 4,-0.0 -3,-0.0 -0.875 8.0-173.4 -99.4 115.9 -21.3 5.6 8.3 222 448 A I >> - 0 0 47 -2,-0.6 4,-1.9 1,-0.1 3,-0.8 -0.908 9.5-160.5-107.5 100.4 -23.6 3.9 5.7 223 449 A P H 3> S+ 0 0 73 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.834 87.2 57.2 -50.4 -41.6 -21.4 2.9 2.7 224 450 A E H 34 S+ 0 0 145 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.834 111.4 42.9 -57.7 -39.9 -24.4 2.6 0.2 225 451 A V H X4 S+ 0 0 35 -3,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.915 117.2 45.6 -73.5 -45.0 -25.4 6.2 0.9 226 452 A W H >< S+ 0 0 10 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.594 92.1 77.7 -76.5 -19.2 -21.9 7.7 0.8 227 453 A A T 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.805 92.6 55.9 -60.8 -31.9 -20.6 5.9 -2.4 228 454 A E T < S+ 0 0 98 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.3 0.671 99.9 76.6 -71.2 -23.3 -22.7 8.5 -4.4 229 455 A V S < S- 0 0 18 -3,-1.1 -135,-0.0 -4,-0.2 -33,-0.0 -0.717 90.6-107.5 -94.0 143.3 -20.6 11.3 -2.6 230 456 A S > - 0 0 41 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.220 19.7-122.4 -64.8 156.6 -17.0 12.2 -3.5 231 457 A E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.806 111.1 58.7 -69.5 -32.3 -14.0 11.3 -1.2 232 458 A K H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.909 105.7 47.5 -63.9 -47.1 -13.0 15.0 -1.0 233 459 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.913 114.1 47.2 -60.2 -47.3 -16.4 16.0 0.5 234 460 A L H X S+ 0 0 27 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.861 107.7 56.5 -64.8 -36.9 -16.3 13.1 3.0 235 461 A D H X S+ 0 0 58 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.890 106.9 49.9 -60.6 -41.6 -12.6 14.0 3.9 236 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.902 109.6 50.5 -63.5 -42.9 -13.8 17.6 4.8 237 463 A V H >X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 3,-1.2 0.951 108.9 52.2 -57.0 -53.6 -16.7 16.2 7.1 238 464 A K H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.9 50.8 -51.1 -40.8 -14.1 13.9 8.8 239 465 A K H 3< S+ 0 0 75 -4,-1.6 10,-2.2 1,-0.2 3,-0.3 0.650 114.2 42.8 -74.8 -20.6 -11.9 17.0 9.5 240 466 A L H << S+ 0 0 0 -3,-1.2 2,-0.5 -4,-1.0 -2,-0.2 0.763 105.9 63.2 -93.9 -30.2 -14.8 19.0 11.0 241 467 A L S < S+ 0 0 8 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.147 73.2 135.0 -89.1 41.1 -16.1 16.0 13.0 242 468 A V - 0 0 44 -2,-0.5 6,-0.2 -3,-0.3 -25,-0.1 -0.796 51.7-146.3 -92.8 123.1 -12.9 15.9 15.1 243 469 A V S S+ 0 0 69 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.876 82.5 76.7 -57.7 -47.0 -13.6 15.4 18.9 244 470 A D S >> S- 0 0 89 1,-0.2 4,-2.1 2,-0.0 3,-0.9 -0.594 72.2-154.1 -71.0 112.2 -10.5 17.6 20.1 245 471 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.741 93.1 56.6 -60.8 -22.8 -11.6 21.2 19.5 246 472 A K T 34 S+ 0 0 99 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.766 112.7 39.4 -79.5 -27.9 -7.9 22.3 19.1 247 473 A A T <4 S+ 0 0 58 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.725 92.9 110.5 -88.9 -30.0 -7.3 19.8 16.3 248 474 A R S < S- 0 0 24 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.109 80.9 -97.6 -49.3 141.2 -10.7 20.4 14.6 249 475 A F - 0 0 35 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.369 35.9-141.4 -61.9 138.5 -10.7 22.3 11.2 250 476 A T > - 0 0 50 -3,-0.1 4,-2.4 -2,-0.1 5,-0.1 -0.455 32.2 -98.2 -90.4 173.4 -11.3 26.1 11.4 251 477 A T H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -141,-0.1 0.858 127.0 52.3 -60.6 -36.1 -13.4 27.9 8.8 252 478 A E H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.862 110.5 46.2 -66.1 -41.3 -10.1 29.0 7.1 253 479 A E H > S+ 0 0 65 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.903 114.1 48.6 -68.7 -40.3 -8.8 25.4 7.0 254 480 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.934 110.6 51.5 -63.8 -43.6 -12.2 24.3 5.6 255 481 A L H 3< S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.779 111.6 47.3 -65.9 -26.2 -12.1 27.2 3.0 256 482 A R H 3< S+ 0 0 172 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.508 87.7 118.2 -89.0 -9.9 -8.6 26.0 1.9 257 483 A H S XX S- 0 0 6 -3,-1.1 3,-2.1 -4,-0.6 4,-0.5 -0.297 78.2-116.0 -58.2 142.2 -9.7 22.3 1.7 258 484 A P G >4 S+ 0 0 67 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.813 112.2 64.7 -47.6 -38.0 -9.5 20.7 -1.9 259 485 A W G 34 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.737 103.6 46.8 -59.0 -27.4 -13.3 20.2 -2.0 260 486 A L G <4 S+ 0 0 0 -3,-2.1 2,-1.9 -6,-0.3 -1,-0.3 0.510 82.2 96.6 -96.3 -3.0 -13.8 24.0 -2.0 261 487 A Q << + 0 0 104 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.1 -0.588 53.3 132.7 -85.0 70.2 -11.1 24.7 -4.7 262 488 A D > - 0 0 42 -2,-1.9 4,-2.3 1,-0.1 5,-0.1 -0.914 39.6-171.0-131.3 97.8 -13.9 24.8 -7.3 263 489 A E H > S+ 0 0 64 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.793 88.3 54.4 -59.2 -34.5 -13.7 27.9 -9.7 264 490 A D H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 109.5 45.1 -67.3 -46.9 -17.2 27.0 -11.1 265 491 A M H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.924 114.4 50.2 -62.9 -46.8 -18.9 27.0 -7.7 266 492 A K H X S+ 0 0 63 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.865 110.9 48.7 -60.0 -39.5 -17.1 30.3 -6.8 267 493 A R H X S+ 0 0 132 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.926 108.9 53.2 -64.8 -48.1 -18.2 31.9 -10.1 268 494 A K H X S+ 0 0 31 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.853 111.1 47.5 -56.8 -37.7 -21.8 30.8 -9.5 269 495 A F H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.931 111.3 48.5 -70.2 -47.5 -21.7 32.5 -6.0 270 496 A Q H X S+ 0 0 102 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.847 111.3 53.8 -59.7 -33.8 -20.1 35.8 -7.4 271 497 A D H X S+ 0 0 105 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.888 108.4 46.6 -64.4 -48.6 -22.9 35.7 -10.1 272 498 A L H X S+ 0 0 40 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.847 112.3 52.6 -63.4 -38.1 -25.8 35.4 -7.5 273 499 A L H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 109.1 47.9 -60.7 -52.1 -24.1 38.2 -5.5 274 500 A S H X S+ 0 0 51 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.880 111.7 50.9 -57.4 -44.1 -24.0 40.6 -8.6 275 501 A E H < S+ 0 0 60 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.860 112.0 46.4 -63.3 -40.6 -27.7 39.8 -9.4 276 502 A E H >< S+ 0 0 80 -4,-1.9 3,-0.7 1,-0.2 4,-0.2 0.917 114.9 46.5 -67.0 -46.7 -28.8 40.6 -5.8 277 503 A N H >X S+ 0 0 83 -4,-2.4 4,-1.7 1,-0.2 3,-1.1 0.610 89.1 89.1 -71.2 -18.4 -26.7 43.9 -5.6 278 504 A E T 3< S+ 0 0 148 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.782 87.3 49.0 -51.1 -38.7 -28.0 45.0 -9.2 279 505 A S T <4 S+ 0 0 105 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.719 117.3 40.8 -75.0 -26.6 -31.0 46.8 -7.7 280 506 A T T <4 S+ 0 0 89 -3,-1.1 2,-0.2 -4,-0.2 -2,-0.2 0.614 82.6 123.2 -97.4 -18.8 -28.9 48.7 -5.0 281 507 A A < - 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