==== 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 4BDE . 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) . 15719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 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 . 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 1 2 0 0 1 0 1 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 0.000 360.0 360.0 360.0 109.4 -57.4 37.1 20.2 2 210 A S - 0 0 113 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.915 360.0-135.9-175.0 163.2 -54.5 39.7 20.1 3 211 A V - 0 0 127 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.887 21.0-110.7-129.5 163.8 -53.4 42.8 18.0 4 212 A Y - 0 0 75 -2,-0.3 -2,-0.0 1,-0.1 5,-0.0 -0.638 49.9 -89.4 -87.4 150.2 -50.1 44.1 16.5 5 213 A P >> - 0 0 28 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.299 30.4-122.5 -64.7 145.4 -48.5 47.2 18.0 6 214 A K H 3> S+ 0 0 171 1,-0.2 4,-1.5 2,-0.2 -2,-0.0 0.823 110.9 57.6 -52.9 -40.0 -49.6 50.5 16.5 7 215 A A H 3> S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.808 110.2 43.4 -62.6 -36.7 -46.0 51.5 15.7 8 216 A L H X> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 3,-1.1 0.936 112.6 51.7 -72.1 -50.7 -45.5 48.3 13.5 9 217 A R H 3< S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.758 102.7 63.6 -56.4 -28.8 -49.0 48.7 11.9 10 218 A D H 3< S+ 0 0 123 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.853 118.4 22.0 -64.9 -38.1 -48.0 52.3 11.0 11 219 A E H << S+ 0 0 75 -3,-1.1 16,-2.8 -4,-0.6 17,-0.4 0.609 123.8 46.5-103.0 -24.3 -45.1 51.1 8.7 12 220 A Y E < -A 26 0A 5 -4,-2.5 2,-0.6 14,-0.2 14,-0.2 -0.930 57.6-145.2-129.7 152.0 -46.1 47.6 7.8 13 221 A I E -A 25 0A 86 12,-2.0 12,-1.8 -2,-0.3 2,-0.1 -0.978 34.8-137.5-110.3 110.3 -49.1 45.5 6.5 14 222 A M E +A 24 0A 35 -2,-0.6 10,-0.3 10,-0.2 2,-0.1 -0.447 31.3 163.4 -74.4 146.4 -48.8 42.0 8.2 15 223 A S E - 0 0 54 8,-3.1 -1,-0.1 1,-0.3 9,-0.1 -0.412 35.1 -10.8-136.1-152.4 -49.5 38.8 6.2 16 224 A K E - 0 0 66 6,-0.2 7,-3.4 -2,-0.1 -1,-0.3 0.011 65.7 -99.0 -55.3 155.8 -49.0 35.0 6.2 17 225 A T E A 22 0A 93 5,-0.2 5,-0.3 1,-0.1 -1,-0.1 -0.462 360.0 360.0 -76.2 144.3 -46.8 32.8 8.5 18 226 A L 0 0 104 3,-3.4 4,-0.2 -2,-0.1 -1,-0.1 0.400 360.0 360.0-130.2 360.0 -43.3 31.7 7.3 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 0 130 0, 0.0 17,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.6 -42.4 33.0 14.9 21 234 A V E - B 0 36A 45 15,-0.2 -3,-3.4 13,-0.0 2,-0.3 -0.964 360.0-172.8-119.1 128.8 -41.9 34.6 11.3 22 235 A K E -AB 17 35A 8 13,-2.5 13,-3.4 -2,-0.4 2,-0.3 -0.894 24.9-121.7-120.4 150.3 -44.5 36.5 9.3 23 236 A L E + B 0 34A 24 -7,-3.4 -8,-3.1 -2,-0.3 2,-0.3 -0.677 41.3 171.9 -82.0 138.2 -44.6 38.0 5.8 24 237 A A E -AB 14 33A 0 9,-2.2 9,-2.8 -2,-0.3 2,-0.5 -0.940 28.7-131.3-144.8 165.6 -45.2 41.7 5.8 25 238 A F E -AB 13 32A 71 -12,-1.8 -12,-2.0 -2,-0.3 2,-0.4 -0.989 18.7-132.9-124.3 124.8 -45.2 44.7 3.4 26 239 A E E >> -AB 12 31A 40 5,-2.5 4,-2.7 -2,-0.5 5,-0.6 -0.633 15.6-148.4 -73.2 122.5 -43.4 47.9 4.0 27 240 A R T 45S+ 0 0 122 -16,-2.8 -1,-0.2 -2,-0.4 -15,-0.1 0.863 92.4 58.9 -59.9 -40.9 -46.0 50.6 3.2 28 241 A K T 45S+ 0 0 114 -17,-0.4 -1,-0.2 1,-0.2 -16,-0.1 0.841 126.0 15.0 -56.8 -42.6 -43.3 53.1 2.0 29 242 A T T 45S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.602 90.8-128.9-111.0 -19.3 -41.9 50.8 -0.7 30 243 A C T <5 + 0 0 103 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.757 61.6 145.8 66.4 28.7 -44.7 48.1 -1.1 31 244 A K E < -B 26 0A 146 -5,-0.6 -5,-2.5 1,-0.0 -1,-0.3 -0.749 55.1-109.5 -98.7 147.0 -41.8 45.6 -0.7 32 245 A K E +B 25 0A 78 -2,-0.3 46,-0.5 -7,-0.2 2,-0.3 -0.513 41.9 173.9 -73.2 134.2 -42.1 42.2 1.0 33 246 A V E -B 24 0A 2 -9,-2.8 -9,-2.2 -2,-0.2 2,-0.4 -0.849 28.6-121.5-132.3 168.4 -40.2 41.9 4.3 34 247 A A E -BC 23 76A 8 42,-2.7 42,-3.5 -2,-0.3 2,-0.6 -0.976 19.3-156.8-118.4 129.5 -40.0 39.2 7.0 35 248 A I E -BC 22 75A 0 -13,-3.4 -13,-2.5 -2,-0.4 2,-0.5 -0.922 2.2-157.4-112.0 110.1 -41.1 39.9 10.6 36 249 A K E -BC 21 74A 38 38,-2.9 38,-3.1 -2,-0.6 2,-0.6 -0.734 8.7-157.5 -84.3 122.2 -39.6 37.7 13.4 37 250 A I E - C 0 73A 27 -17,-3.5 2,-0.5 -2,-0.5 36,-0.2 -0.926 8.8-173.4-106.9 110.6 -41.8 37.8 16.6 38 251 A I E - C 0 72A 47 34,-2.1 34,-3.1 -2,-0.6 2,-0.0 -0.934 22.1-132.6-105.4 118.3 -40.0 36.9 19.9 39 252 A S 0 0 98 -2,-0.5 32,-0.1 32,-0.2 31,-0.0 -0.291 360.0 360.0 -70.0 156.2 -42.4 36.6 22.9 40 253 A K 0 0 136 30,-0.4 -1,-0.1 -2,-0.0 31,-0.1 0.734 360.0 360.0-103.6 360.0 -41.7 38.3 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 42 267 A A > 0 0 84 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -59.1 -34.9 40.6 26.7 43 268 A L H > + 0 0 81 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.856 360.0 49.2 -70.3 -37.3 -31.0 40.5 27.3 44 269 A N H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.835 112.1 48.3 -69.7 -35.4 -30.7 37.9 24.5 45 270 A V H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.931 111.7 48.7 -71.5 -45.3 -32.9 40.1 22.1 46 271 A E H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.855 115.0 45.2 -60.7 -41.4 -30.9 43.3 22.9 47 272 A T H X S+ 0 0 42 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.902 112.4 52.0 -69.0 -43.1 -27.6 41.5 22.3 48 273 A E H X S+ 0 0 15 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.926 111.6 46.0 -59.8 -46.4 -29.0 39.9 19.1 49 274 A I H X S+ 0 0 23 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.916 113.6 49.5 -61.2 -46.5 -30.1 43.4 17.8 50 275 A E H X S+ 0 0 65 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.887 114.2 45.6 -60.5 -42.6 -26.7 44.9 18.7 51 276 A I H X S+ 0 0 8 -4,-2.9 4,-1.7 1,-0.2 3,-0.4 0.983 113.4 48.9 -63.0 -57.5 -24.9 42.0 16.9 52 277 A L H < S+ 0 0 5 -4,-3.2 11,-0.4 1,-0.2 -2,-0.2 0.786 111.5 49.9 -51.7 -40.7 -27.3 42.2 13.8 53 278 A K H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 112.1 46.6 -68.0 -42.1 -26.8 46.0 13.5 54 279 A K H < S+ 0 0 81 -4,-1.7 -2,-0.2 -3,-0.4 2,-0.2 0.770 97.1 88.5 -72.3 -29.2 -22.9 45.8 13.7 55 280 A L < + 0 0 15 -4,-1.7 2,-0.2 -5,-0.1 58,-0.0 -0.489 46.9 176.3 -80.3 141.5 -22.6 43.0 11.1 56 281 A N + 0 0 119 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.684 27.2 126.1-146.4 85.0 -22.3 43.6 7.4 57 282 A H > - 0 0 31 3,-0.3 3,-1.6 -2,-0.2 52,-0.0 -0.996 59.4-127.8-140.5 139.7 -21.7 40.4 5.3 58 283 A P T 3 S+ 0 0 36 0, 0.0 4,-0.1 0, 0.0 51,-0.0 0.696 110.6 52.1 -62.2 -18.0 -23.7 39.1 2.3 59 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.3 81,-0.1 2,-0.4 0.170 98.1 76.4-105.0 16.7 -24.1 35.7 4.0 60 285 A I B < S-e 141 0B 3 -3,-1.6 -3,-0.3 80,-0.3 82,-0.2 -0.998 89.2-110.3-125.6 128.2 -25.6 37.1 7.3 61 286 A I - 0 0 4 80,-2.1 2,-0.4 -2,-0.4 -6,-0.1 -0.250 32.5-136.2 -55.6 138.9 -29.2 38.3 7.5 62 287 A K - 0 0 64 -4,-0.1 15,-1.0 -6,-0.1 2,-0.4 -0.823 8.3-126.9-104.0 141.8 -29.6 42.1 7.9 63 288 A I E +D 76 0A 31 -11,-0.4 13,-0.2 -2,-0.4 3,-0.1 -0.739 24.0 179.5 -85.8 128.2 -32.0 43.9 10.3 64 289 A K E - 0 0 115 11,-3.3 2,-0.3 -2,-0.4 12,-0.2 0.775 66.4 -13.4 -96.4 -36.2 -34.2 46.4 8.6 65 290 A N E -D 75 0A 40 10,-1.3 10,-2.6 2,-0.0 -1,-0.4 -0.959 57.5-147.8-160.2 165.8 -36.2 47.6 11.6 66 291 A F E -D 74 0A 61 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.994 4.1-166.9-148.9 140.4 -37.0 46.7 15.3 67 292 A F E -D 73 0A 22 6,-2.8 6,-2.9 -2,-0.3 2,-0.8 -0.986 5.8-165.0-132.8 121.4 -40.0 47.2 17.7 68 293 A D E +D 72 0A 103 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.887 46.6 116.0-106.9 95.8 -40.0 46.7 21.5 69 294 A A S S- 0 0 35 2,-1.8 3,-0.0 -2,-0.8 -2,-0.0 -0.123 86.8 -31.7-130.3-135.5 -43.7 46.5 22.5 70 295 A E S S+ 0 0 82 -2,-0.1 -30,-0.4 -30,-0.1 2,-0.3 0.823 138.7 8.2 -62.8 -30.8 -45.9 43.6 24.1 71 296 A D S S- 0 0 46 -32,-0.1 -2,-1.8 -31,-0.1 2,-0.4 -0.831 97.8 -91.5-137.9 167.8 -43.5 41.3 22.2 72 297 A Y E -CD 38 68A 24 -34,-3.1 -34,-2.1 -2,-0.3 2,-0.5 -0.773 35.2-162.1 -89.1 131.7 -40.3 41.9 20.3 73 298 A Y E -CD 37 67A 9 -6,-2.9 -6,-2.8 -2,-0.4 2,-0.5 -0.971 5.2-172.2-119.7 116.5 -40.7 42.5 16.5 74 299 A I E -CD 36 66A 2 -38,-3.1 -38,-2.9 -2,-0.5 2,-0.5 -0.953 11.0-152.3-111.0 119.6 -37.6 42.2 14.3 75 300 A V E +CD 35 65A 0 -10,-2.6 -11,-3.3 -2,-0.5 -10,-1.3 -0.820 26.3 168.7 -94.9 121.2 -37.9 43.3 10.7 76 301 A L E -CD 34 63A 17 -42,-3.5 -42,-2.7 -2,-0.5 -13,-0.2 -0.806 42.3 -79.9-126.6 169.0 -35.5 41.3 8.4 77 302 A E - 0 0 41 -15,-1.0 2,-0.2 -2,-0.3 -44,-0.1 -0.448 54.0-111.1 -66.1 138.5 -34.9 40.8 4.6 78 303 A L - 0 0 55 -46,-0.5 2,-0.6 -2,-0.1 -1,-0.1 -0.571 23.8-151.1 -74.6 138.3 -37.4 38.3 3.2 79 304 A M > - 0 0 23 -2,-0.2 3,-1.3 1,-0.1 51,-0.2 -0.925 7.7-168.7-115.1 99.4 -35.7 35.0 2.1 80 305 A E T 3 S+ 0 0 64 51,-1.0 52,-0.2 -2,-0.6 51,-0.2 0.804 82.3 58.3 -58.1 -35.9 -37.8 33.5 -0.7 81 306 A G T 3 S- 0 0 13 49,-1.6 -1,-0.2 1,-0.2 50,-0.2 0.588 94.7-152.7 -71.9 -15.6 -36.0 30.1 -0.6 82 307 A G E < -F 130 0B 28 -3,-1.3 48,-3.0 48,-0.7 -1,-0.2 -0.315 43.5 -11.8 75.3-158.2 -37.0 29.4 3.0 83 308 A E E > -F 129 0B 61 46,-0.2 3,-0.6 1,-0.1 4,-0.3 -0.517 48.9-135.9 -79.6 145.6 -35.1 27.2 5.4 84 309 A L T >> S+ 0 0 0 44,-3.0 3,-2.1 41,-1.0 4,-0.6 0.831 104.2 72.4 -65.0 -30.8 -32.2 24.9 4.3 85 310 A F H >> S+ 0 0 71 40,-1.6 3,-1.7 43,-0.3 4,-1.5 0.874 90.3 56.5 -47.4 -48.8 -34.0 22.4 6.7 86 311 A D H <4 S+ 0 0 88 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.612 104.1 54.2 -63.4 -14.6 -36.8 22.0 4.1 87 312 A K H <4 S+ 0 0 75 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.542 118.3 33.1 -94.0 -11.7 -34.2 20.9 1.5 88 313 A V H << S+ 0 0 10 -3,-1.7 3,-0.4 -4,-0.6 -2,-0.2 0.463 88.2 119.3-121.0 -11.2 -32.8 18.1 3.7 89 314 A V S >< S+ 0 0 56 -4,-1.5 3,-0.8 1,-0.2 109,-0.0 -0.324 75.3 16.2 -63.8 139.0 -35.8 16.8 5.7 90 315 A G T 3 S- 0 0 68 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.948 135.1 -54.5 60.8 56.0 -36.9 13.2 5.3 91 316 A N T 3 S+ 0 0 126 106,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.435 93.0 150.4 60.5 6.5 -33.7 11.8 3.7 92 317 A K < - 0 0 109 -3,-0.8 2,-0.3 -4,-0.1 -1,-0.2 -0.458 28.2-162.3 -65.9 133.7 -33.8 14.4 0.8 93 318 A R - 0 0 78 -2,-0.2 2,-0.2 -3,-0.1 102,-0.1 -0.938 13.5-132.5-125.4 148.3 -30.3 15.2 -0.3 94 319 A L - 0 0 22 100,-1.5 2,-0.1 -2,-0.3 103,-0.0 -0.640 36.0 -99.4 -91.1 152.3 -28.7 18.0 -2.3 95 320 A K >> - 0 0 124 -2,-0.2 4,-2.0 1,-0.1 3,-1.1 -0.418 37.9-109.8 -69.5 147.1 -26.3 17.4 -5.3 96 321 A E H 3> S+ 0 0 55 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.847 118.7 55.1 -46.3 -43.0 -22.7 17.7 -4.3 97 322 A A H 3> S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.817 109.4 47.5 -61.4 -35.3 -22.2 21.0 -6.3 98 323 A T H <> S+ 0 0 2 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.886 110.0 52.0 -73.0 -43.4 -25.2 22.5 -4.4 99 324 A C H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.885 111.9 48.9 -55.9 -46.0 -23.8 21.4 -1.0 100 325 A K H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.941 110.7 47.6 -62.8 -51.7 -20.5 23.1 -2.0 101 326 A L H X S+ 0 0 4 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.904 118.7 41.5 -57.1 -44.6 -22.0 26.4 -3.1 102 327 A Y H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.933 115.0 49.5 -68.6 -48.8 -24.1 26.5 0.1 103 328 A F H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.867 105.8 56.9 -58.4 -42.3 -21.3 25.3 2.5 104 329 A Y H X S+ 0 0 26 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.897 109.2 46.7 -55.5 -44.6 -18.7 27.8 1.0 105 330 A Q H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.866 110.9 50.8 -67.5 -40.1 -21.1 30.7 1.9 106 331 A M H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.888 111.4 49.9 -63.4 -41.4 -21.7 29.3 5.5 107 332 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.901 111.4 47.4 -64.0 -43.8 -17.9 29.1 5.9 108 333 A L H X S+ 0 0 23 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.894 114.5 48.0 -63.3 -42.1 -17.5 32.7 4.7 109 334 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.926 115.1 43.1 -64.1 -49.4 -20.3 33.8 7.1 110 335 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.875 111.8 54.1 -70.1 -33.5 -18.9 31.9 10.1 111 336 A Q H X S+ 0 0 38 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.934 109.3 49.2 -62.9 -45.1 -15.3 33.1 9.3 112 337 A Y H X S+ 0 0 42 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.899 111.2 49.6 -57.0 -48.4 -16.6 36.7 9.3 113 338 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 3,-0.6 0.947 113.3 45.7 -56.2 -53.4 -18.4 36.1 12.7 114 339 A H H ><5S+ 0 0 11 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.890 110.3 53.0 -59.7 -43.7 -15.2 34.6 14.2 115 340 A E H 3<5S+ 0 0 126 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.781 111.8 48.7 -59.8 -30.2 -13.0 37.5 12.8 116 341 A N T <<5S- 0 0 83 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.070 122.1-106.2 -98.5 17.4 -15.5 39.9 14.5 117 342 A G T < 5S+ 0 0 20 -3,-1.7 33,-2.9 1,-0.2 2,-0.4 0.753 77.7 129.8 60.9 33.3 -15.4 38.1 17.9 118 343 A I E < -H 149 0C 12 -5,-2.5 2,-0.4 31,-0.2 31,-0.2 -0.972 39.7-165.8-117.7 134.6 -18.9 36.5 17.6 119 344 A I E -H 148 0C 5 29,-2.4 29,-2.4 -2,-0.4 61,-0.1 -0.979 9.2-156.6-113.9 126.7 -19.7 32.7 18.1 120 345 A H - 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0 0 54 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.452 17.9-140.0 -74.8 146.3 -27.8 12.8 10.5 200 426 A P S S+ 0 0 0 0, 0.0 20,-3.2 0, 0.0 2,-0.4 0.878 93.8 35.8 -68.6 -36.9 -24.3 11.6 11.6 201 427 A F S S+ 0 0 21 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.982 79.6 134.8-121.5 124.5 -25.4 11.1 15.2 202 428 A S - 0 0 26 -2,-0.4 11,-0.1 2,-0.1 0, 0.0 -0.974 59.0-120.2-160.5 164.9 -28.9 9.9 16.0 203 429 A E S > S+ 0 0 137 -2,-0.3 3,-0.7 2,-0.0 2,-0.4 0.328 72.8 121.6 -97.0 11.7 -30.9 7.4 18.2 204 430 A H T 3 S- 0 0 158 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.617 88.7 -16.5 -79.8 126.4 -32.3 5.6 15.1 205 431 A R T 3 S+ 0 0 99 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.850 111.2 113.5 42.9 52.8 -31.5 1.8 14.8 206 432 A T < - 0 0 64 -3,-0.7 -1,-0.2 1,-0.1 0, 0.0 -0.997 57.5-158.4-149.3 150.3 -28.6 2.0 17.5 207 433 A Q S S+ 0 0 110 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.731 74.8 92.2 -92.8 -32.7 -27.7 0.8 21.0 208 434 A V S S- 0 0 63 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.450 82.7-117.6 -68.4 130.5 -25.1 3.6 21.5 209 435 A S > - 0 0 44 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.380 19.4-115.2 -69.0 151.4 -26.5 6.7 23.2 210 436 A L H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 118.1 52.2 -52.2 -46.6 -26.5 10.1 21.4 211 437 A K H > S+ 0 0 156 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 110.4 47.5 -55.8 -50.6 -24.0 11.5 24.1 212 438 A D H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 6,-0.3 0.882 110.3 52.1 -60.9 -41.2 -21.6 8.5 23.6 213 439 A Q H X>S+ 0 0 8 -4,-2.5 4,-1.2 2,-0.2 5,-1.2 0.917 114.4 43.3 -59.1 -47.4 -21.7 8.8 19.7 214 440 A I H <5S+ 0 0 65 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.952 115.5 45.5 -67.8 -51.2 -20.8 12.5 19.9 215 441 A T H <5S+ 0 0 84 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 117.4 44.4 -62.3 -38.6 -18.0 12.3 22.6 216 442 A S H <5S- 0 0 64 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.756 104.3-135.2 -74.6 -22.9 -16.4 9.3 20.9 217 443 A G T <5 + 0 0 13 -4,-1.2 2,-1.1 -5,-0.2 -3,-0.2 0.656 53.9 147.0 74.4 20.5 -16.8 11.1 17.5 218 444 A K < - 0 0 109 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.743 28.4-170.5 -92.8 87.8 -18.1 7.9 16.0 219 445 A Y - 0 0 54 -2,-1.1 2,-0.8 22,-0.1 -18,-0.2 -0.387 33.9 -97.2 -73.5 155.9 -20.6 9.1 13.4 220 446 A N - 0 0 71 -20,-3.2 2,-0.7 -21,-0.2 -1,-0.1 -0.690 41.3-163.5 -80.7 108.9 -22.9 6.6 11.6 221 447 A F - 0 0 83 -2,-0.8 -1,-0.0 4,-0.0 -3,-0.0 -0.860 8.4-171.7-100.2 109.9 -21.3 5.9 8.2 222 448 A I >> - 0 0 52 -2,-0.7 4,-2.2 1,-0.2 3,-0.5 -0.869 7.1-163.0-100.6 103.2 -23.6 4.3 5.5 223 449 A P H 3> S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.858 86.2 58.2 -54.9 -40.6 -21.3 3.2 2.6 224 450 A E H 34 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.867 112.4 40.3 -56.2 -43.0 -24.3 2.9 0.1 225 451 A V H X4 S+ 0 0 33 -3,-0.5 3,-0.8 1,-0.2 -1,-0.2 0.929 117.7 47.8 -72.3 -47.3 -25.3 6.5 0.7 226 452 A W H >< S+ 0 0 10 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.618 91.4 77.2 -71.6 -19.9 -21.7 7.9 0.7 227 453 A A T 3< S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.821 92.1 56.4 -60.3 -32.1 -20.5 6.1 -2.5 228 454 A E T < S+ 0 0 135 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 0.677 99.9 76.6 -70.3 -22.9 -22.4 8.8 -4.5 229 455 A V S < S- 0 0 18 -3,-1.2 -134,-0.0 -4,-0.2 -33,-0.0 -0.681 89.9-106.8 -94.5 146.2 -20.4 11.5 -2.6 230 456 A S > - 0 0 39 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 -0.208 19.9-122.3 -66.7 158.8 -16.7 12.3 -3.5 231 457 A E H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.791 111.8 57.5 -72.0 -30.0 -13.7 11.4 -1.2 232 458 A K H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.897 105.5 47.9 -66.6 -46.8 -12.8 15.1 -0.9 233 459 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.888 113.9 47.2 -62.2 -43.7 -16.2 16.2 0.5 234 460 A L H X S+ 0 0 25 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.872 107.5 57.6 -66.6 -37.1 -16.1 13.3 3.1 235 461 A D H X S+ 0 0 60 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.881 106.7 48.1 -60.8 -40.7 -12.5 14.2 4.0 236 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 3,-0.2 0.923 110.2 51.6 -65.0 -44.5 -13.6 17.8 5.0 237 463 A V H >X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 3,-1.2 0.943 109.1 51.5 -52.9 -53.5 -16.6 16.3 7.1 238 464 A K H 3< S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.4 49.8 -53.1 -39.9 -14.0 14.0 8.9 239 465 A K H 3< S+ 0 0 78 -4,-1.5 10,-2.1 -3,-0.2 3,-0.3 0.605 114.4 43.7 -77.8 -19.4 -11.7 17.0 9.7 240 466 A L H << S+ 0 0 0 -3,-1.2 2,-0.5 -4,-1.1 -2,-0.2 0.724 105.3 63.7 -95.3 -29.0 -14.6 19.1 11.1 241 467 A L S < S+ 0 0 7 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.175 73.9 135.5 -88.7 41.9 -16.1 16.2 13.0 242 468 A V - 0 0 44 -2,-0.5 6,-0.2 -3,-0.3 -25,-0.1 -0.815 51.6-146.3 -93.6 124.3 -12.9 16.0 15.2 243 469 A V S S+ 0 0 69 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.892 83.2 75.8 -56.6 -49.1 -13.6 15.5 19.0 244 470 A D S >> S- 0 0 86 1,-0.2 4,-2.1 2,-0.0 3,-0.8 -0.576 71.4-155.7 -70.6 112.6 -10.6 17.6 20.1 245 471 A P T 34 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 0.754 92.5 57.4 -63.3 -22.4 -11.6 21.3 19.6 246 472 A K T 34 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.798 113.5 38.0 -77.3 -29.6 -7.8 22.3 19.4 247 473 A A T <4 S+ 0 0 57 -3,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.715 94.1 110.4 -89.0 -30.5 -7.2 19.9 16.5 248 474 A R S < S- 0 0 22 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.125 81.2 -95.8 -48.7 141.7 -10.6 20.5 14.7 249 475 A F - 0 0 35 -10,-2.1 2,-0.1 -13,-0.1 -1,-0.1 -0.344 36.8-143.3 -61.9 135.1 -10.6 22.4 11.4 250 476 A T > - 0 0 51 -3,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.392 32.3 -97.9 -87.3 176.4 -11.1 26.2 11.6 251 477 A T H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.886 125.7 52.6 -62.8 -38.6 -13.1 28.1 9.0 252 478 A E H > S+ 0 0 61 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.888 110.4 46.0 -63.8 -44.4 -9.7 29.1 7.3 253 479 A E H 4 S+ 0 0 68 2,-0.2 4,-0.4 1,-0.2 3,-0.4 0.901 113.3 49.8 -65.7 -42.5 -8.5 25.5 7.1 254 480 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.916 110.1 51.0 -61.6 -43.2 -12.0 24.4 5.7 255 481 A L H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 111.4 48.2 -67.5 -23.0 -11.8 27.3 3.1 256 482 A R T 3< S+ 0 0 172 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.400 87.2 116.7 -94.5 -4.9 -8.3 26.1 2.1 257 483 A H S X> S- 0 0 5 -3,-1.2 3,-1.8 -4,-0.4 4,-0.6 -0.391 78.9-116.5 -64.5 142.0 -9.4 22.4 1.8 258 484 A P G >4 S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.781 112.3 64.4 -49.6 -31.4 -9.2 20.8 -1.7 259 485 A W G 34 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.814 103.8 46.0 -64.0 -31.0 -13.0 20.4 -1.8 260 486 A L G <4 S+ 0 0 0 -3,-1.8 2,-1.8 -6,-0.3 -1,-0.3 0.474 85.3 97.2 -89.5 -3.4 -13.5 24.2 -1.7 261 487 A Q << + 0 0 100 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.1 -0.571 52.6 129.9 -86.9 69.7 -10.8 24.7 -4.4 262 488 A D > - 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