==== 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 4BDI . 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 . 290 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.9 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 13.4 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 . 1 0.3 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.4 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 2 2 2 1 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 1 0 2 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 0 251 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.5 -3.7 67.1 -5.1 2 210 A S - 0 0 102 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.886 360.0-122.5-162.0 177.7 -7.6 66.5 -5.3 3 211 A V - 0 0 129 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.968 22.7-106.3-135.9 157.0 -10.7 66.9 -3.0 4 212 A Y - 0 0 70 -2,-0.3 5,-0.0 1,-0.1 10,-0.0 -0.518 49.9 -94.2 -75.8 143.9 -13.5 64.8 -1.5 5 213 A P >> - 0 0 31 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.240 31.2-117.7 -60.1 149.6 -17.0 65.2 -3.0 6 214 A K H 3> S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.817 111.6 59.2 -54.8 -40.8 -19.3 67.6 -1.3 7 215 A A H 3> S+ 0 0 55 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.819 109.7 43.8 -60.5 -36.3 -21.9 64.9 -0.4 8 216 A L H X> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 3,-1.6 0.967 112.2 50.7 -73.0 -54.0 -19.2 63.0 1.6 9 217 A R H 3< S+ 0 0 138 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.754 102.7 65.5 -54.3 -28.2 -17.8 66.1 3.4 10 218 A D H 3< S+ 0 0 119 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.848 117.5 20.8 -63.7 -38.2 -21.4 67.0 4.3 11 219 A E H << S+ 0 0 74 -3,-1.6 18,-2.6 -4,-0.6 19,-0.4 0.608 123.7 50.8-105.3 -22.3 -21.7 63.9 6.6 12 220 A Y E < -A 28 0A 4 -4,-2.3 2,-0.7 16,-0.2 16,-0.2 -0.978 61.3-144.2-129.4 140.8 -18.1 63.0 7.4 13 221 A I E -A 27 0A 82 14,-2.6 14,-2.0 -2,-0.4 2,-0.2 -0.903 34.8-138.0 -95.5 108.8 -15.0 64.8 8.6 14 222 A M E +A 26 0A 34 -2,-0.7 12,-0.2 12,-0.2 2,-0.2 -0.483 31.2 166.6 -74.4 140.8 -12.2 63.1 6.7 15 223 A S E - 0 0 52 10,-3.0 -1,-0.1 1,-0.3 10,-0.1 -0.451 37.3 -15.2-131.9-159.7 -9.0 62.2 8.6 16 224 A K E - 0 0 62 -2,-0.2 9,-3.3 8,-0.2 2,-0.3 0.099 65.7-103.7 -47.5 153.0 -5.7 60.1 8.2 17 225 A T E -A 24 0A 98 7,-0.2 7,-0.3 1,-0.1 -1,-0.1 -0.680 25.1-167.1 -83.0 134.0 -5.1 57.3 5.7 18 226 A L 0 0 95 5,-3.8 6,-0.2 1,-0.3 -1,-0.1 0.499 360.0 360.0 -98.7 -10.0 -5.4 53.8 7.2 19 227 A G 0 0 69 4,-1.0 4,-1.8 0, 0.0 -1,-0.3 -0.897 360.0 360.0 169.6 360.0 -3.8 51.9 4.1 20 ! 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 21 232 A G 0 0 102 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 172.5 -7.7 50.5 -2.5 22 233 A E E - B 0 39A 43 17,-0.8 17,-3.6 16,-0.0 2,-0.4 -0.585 360.0-161.4 -78.7 132.1 -7.1 53.4 -0.1 23 234 A V E - B 0 38A 41 -4,-1.8 -5,-3.8 -2,-0.3 -4,-1.0 -0.965 8.3-167.3-116.4 126.9 -8.9 53.4 3.3 24 235 A K E -AB 17 37A 2 13,-2.7 13,-3.5 -2,-0.4 2,-0.3 -0.881 21.4-121.9-115.8 150.0 -9.3 56.7 5.3 25 236 A L E + B 0 36A 28 -9,-3.3 -10,-3.0 -2,-0.3 2,-0.3 -0.678 40.5 169.7 -83.5 139.9 -10.3 57.3 8.8 26 237 A A E -AB 14 35A 0 9,-2.0 9,-2.7 -2,-0.3 2,-0.4 -0.960 29.4-129.7-148.3 164.6 -13.4 59.6 9.1 27 238 A F E -AB 13 34A 70 -14,-2.0 -14,-2.6 -2,-0.3 2,-0.5 -0.982 20.5-129.5-122.0 126.7 -15.8 60.9 11.7 28 239 A E E >> -AB 12 33A 33 5,-2.7 4,-2.9 -2,-0.4 5,-0.6 -0.650 15.6-149.5 -74.6 120.1 -19.6 60.8 11.2 29 240 A R T 45S+ 0 0 121 -18,-2.6 -1,-0.2 -2,-0.5 -17,-0.1 0.882 92.6 57.8 -59.2 -42.8 -20.8 64.3 12.1 30 241 A K T 45S+ 0 0 111 -19,-0.4 -1,-0.2 1,-0.2 -18,-0.1 0.849 126.6 15.3 -57.6 -40.1 -24.2 63.1 13.3 31 242 A T T 45S- 0 0 70 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.580 90.5-128.3-112.1 -18.4 -22.7 60.8 16.0 32 243 A C T <5 + 0 0 104 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.693 64.1 140.1 66.0 26.4 -19.0 61.9 16.4 33 244 A K E < -B 28 0A 143 -5,-0.6 -5,-2.7 1,-0.1 -1,-0.3 -0.726 56.4-107.6-101.5 149.1 -18.1 58.2 15.8 34 245 A K E +B 27 0A 57 -2,-0.3 46,-0.6 -7,-0.2 2,-0.3 -0.452 38.2 174.7 -74.2 142.5 -15.2 56.8 13.8 35 246 A V E -BC 26 79A 0 -9,-2.7 -9,-2.0 44,-0.2 2,-0.4 -0.892 27.8-124.9-137.5 165.4 -15.8 55.1 10.4 36 247 A A E -BC 25 78A 10 42,-2.8 42,-3.7 -2,-0.3 2,-0.6 -0.954 19.8-154.5-115.3 134.9 -13.5 53.8 7.8 37 248 A I E -BC 24 77A 0 -13,-3.5 -13,-2.7 -2,-0.4 2,-0.6 -0.948 2.7-154.1-117.0 113.3 -13.9 55.1 4.2 38 249 A K E -BC 23 76A 21 38,-2.9 38,-2.7 -2,-0.6 2,-0.6 -0.753 8.9-155.2 -86.9 118.9 -12.8 52.8 1.3 39 250 A I E -BC 22 75A 26 -17,-3.6 -17,-0.8 -2,-0.6 2,-0.5 -0.891 8.8-170.9 -99.4 118.4 -11.9 54.9 -1.8 40 251 A I E - C 0 74A 39 34,-2.8 34,-3.1 -2,-0.6 -2,-0.0 -0.952 20.9-132.3-113.8 109.2 -12.2 52.9 -5.1 41 252 A S E C 0 73A 81 -2,-0.5 32,-0.2 32,-0.2 31,-0.0 -0.284 360.0 360.0 -60.4 139.1 -10.7 54.8 -8.1 42 253 A K 0 0 139 30,-0.7 -1,-0.1 2,-0.0 31,-0.1 0.488 360.0 360.0 -89.0 360.0 -12.9 54.8 -11.3 43 ! 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 44 267 A A > 0 0 79 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.1 -17.3 49.6 -11.3 45 268 A L H > + 0 0 80 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.823 360.0 44.1 -73.0 -34.8 -19.0 46.2 -12.1 46 269 A N H > S+ 0 0 97 2,-0.2 4,-2.7 3,-0.1 -1,-0.2 0.819 111.3 55.0 -75.2 -35.8 -17.3 44.7 -9.0 47 270 A V H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 106.9 50.2 -64.6 -44.0 -18.2 47.8 -6.9 48 271 A E H X S+ 0 0 158 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.915 116.3 41.7 -58.7 -47.9 -21.9 47.4 -7.9 49 272 A T H X S+ 0 0 35 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.859 112.2 55.4 -68.6 -40.3 -21.8 43.7 -6.8 50 273 A E H X S+ 0 0 20 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.937 111.3 42.3 -59.4 -51.6 -19.7 44.5 -3.6 51 274 A I H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.921 114.2 51.8 -62.4 -47.0 -22.2 47.1 -2.3 52 275 A E H X S+ 0 0 58 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.885 113.1 45.1 -56.5 -45.6 -25.2 44.8 -3.2 53 276 A I H >X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 3,-0.5 0.964 113.7 50.1 -62.4 -52.9 -23.5 41.9 -1.3 54 277 A L H 3< S+ 0 0 6 -4,-2.9 11,-0.4 1,-0.2 -2,-0.2 0.818 109.2 50.7 -56.3 -40.0 -22.6 44.2 1.7 55 278 A K H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.818 111.8 48.0 -68.0 -36.0 -26.2 45.6 2.1 56 279 A K H << S+ 0 0 78 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.837 96.1 86.8 -73.6 -37.8 -27.7 42.1 2.1 57 280 A L < + 0 0 12 -4,-1.8 2,-0.3 -5,-0.1 58,-0.0 -0.446 45.2 173.5 -73.9 138.8 -25.3 40.5 4.7 58 281 A N + 0 0 116 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.797 26.9 128.1-144.8 89.2 -26.0 40.7 8.4 59 282 A H > - 0 0 30 3,-0.4 3,-1.5 -2,-0.3 52,-0.0 -0.988 59.2-128.3-144.3 141.1 -23.6 38.7 10.4 60 283 A P T 3 S+ 0 0 44 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.713 110.1 50.8 -64.3 -19.3 -21.4 39.8 13.4 61 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.4 81,-0.1 2,-0.4 0.127 98.9 77.9-104.3 17.8 -18.2 38.4 11.7 62 285 A I B < S-e 143 0B 1 -3,-1.5 -3,-0.4 80,-0.3 82,-0.2 -0.998 88.3-110.8-126.1 129.3 -18.8 40.2 8.5 63 286 A I - 0 0 3 80,-2.6 2,-0.4 -2,-0.4 -4,-0.1 -0.184 33.5-134.7 -54.2 145.6 -18.0 44.0 8.0 64 287 A K - 0 0 61 -4,-0.1 15,-1.4 -6,-0.1 2,-0.4 -0.871 5.7-128.5-109.5 143.3 -21.1 46.2 7.5 65 288 A I E +D 78 0A 35 -11,-0.4 13,-0.2 -2,-0.4 3,-0.1 -0.712 23.2 178.6 -85.1 134.8 -21.7 49.0 5.0 66 289 A K E - 0 0 99 11,-3.5 2,-0.3 1,-0.5 12,-0.2 0.712 64.8 -17.4-106.1 -32.0 -22.8 52.3 6.6 67 290 A N E -D 77 0A 45 10,-1.3 10,-2.7 2,-0.0 -1,-0.5 -0.960 54.7-145.2-165.8 168.4 -23.0 54.5 3.5 68 291 A F E -D 76 0A 65 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.969 4.8-164.4-152.2 132.7 -21.9 54.8 -0.2 69 292 A F E -D 75 0A 24 6,-3.0 6,-2.7 -2,-0.3 2,-0.7 -0.979 6.4-158.8-122.8 126.4 -20.9 57.7 -2.4 70 293 A D E +D 74 0A 103 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.880 44.8 120.8-106.1 95.2 -20.7 57.5 -6.3 71 294 A A S S- 0 0 31 2,-2.0 -67,-0.0 -2,-0.7 3,-0.0 -0.113 84.9 -41.2-125.6-140.0 -18.5 60.4 -7.4 72 295 A E S S+ 0 0 85 -2,-0.1 -30,-0.7 -31,-0.0 2,-0.3 0.793 139.1 15.9 -64.9 -29.0 -15.1 60.8 -9.4 73 296 A D E S-C 41 0A 48 -32,-0.2 -2,-2.0 -31,-0.1 2,-0.4 -0.838 97.6-101.1-133.1 164.3 -14.2 57.8 -7.3 74 297 A Y E -CD 40 70A 27 -34,-3.1 -34,-2.8 -2,-0.3 2,-0.5 -0.769 29.3-160.4 -91.4 140.2 -16.4 55.4 -5.2 75 298 A Y E -CD 39 69A 10 -6,-2.7 -6,-3.0 -2,-0.4 2,-0.6 -0.985 5.0-171.2-124.3 112.2 -16.6 55.9 -1.5 76 299 A I E -CD 38 68A 4 -38,-2.7 -38,-2.9 -2,-0.5 2,-0.6 -0.950 13.7-149.8-105.0 113.4 -17.7 52.9 0.7 77 300 A V E +CD 37 67A 0 -10,-2.7 -11,-3.5 -2,-0.6 -10,-1.3 -0.766 26.7 173.5 -85.5 120.3 -18.3 54.0 4.3 78 301 A L E -CD 36 65A 16 -42,-3.7 -42,-2.8 -2,-0.6 -13,-0.2 -0.817 37.6 -85.6-123.7 166.1 -17.6 51.0 6.6 79 302 A E E -C 35 0A 44 -15,-1.4 2,-0.4 -2,-0.3 -44,-0.2 -0.362 48.6-113.9 -68.8 147.6 -17.4 50.3 10.3 80 303 A L - 0 0 41 -46,-0.6 2,-0.6 -17,-0.0 -1,-0.1 -0.737 21.2-156.7 -87.6 134.1 -14.0 51.0 11.9 81 304 A M > - 0 0 24 -2,-0.4 3,-0.8 1,-0.1 52,-0.2 -0.960 0.9-161.6-113.1 112.2 -12.0 48.1 13.2 82 305 A E T 3 S+ 0 0 111 51,-1.0 52,-0.2 -2,-0.6 51,-0.2 0.738 84.5 55.8 -68.4 -27.3 -9.5 49.2 15.9 83 306 A G T 3 S- 0 0 22 49,-1.8 -1,-0.2 1,-0.2 50,-0.2 0.480 94.7-150.9 -84.6 -4.7 -7.2 46.2 15.9 84 307 A G E < -F 132 0B 30 -3,-0.8 48,-3.2 48,-0.5 -1,-0.2 -0.184 44.3 -9.2 67.5-157.2 -6.5 46.4 12.1 85 308 A E E > -F 131 0B 69 46,-0.2 3,-0.9 1,-0.1 4,-0.5 -0.458 49.3-133.2 -77.3 144.3 -5.7 43.5 9.9 86 309 A L T >> S+ 0 0 0 44,-2.8 3,-1.2 41,-0.8 4,-0.6 0.788 105.2 74.0 -60.4 -28.2 -4.9 39.9 11.1 87 310 A F H >> S+ 0 0 68 40,-1.3 4,-1.7 43,-0.4 3,-1.3 0.881 90.5 54.4 -52.5 -43.6 -1.9 40.3 8.6 88 311 A D H <4 S+ 0 0 92 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.739 104.7 54.2 -67.3 -20.6 -0.1 42.6 11.0 89 312 A K H <4 S+ 0 0 63 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.543 120.2 31.3 -87.1 -10.2 -0.4 39.9 13.8 90 313 A V H << S+ 0 0 8 -3,-1.3 4,-0.3 -4,-0.6 -2,-0.2 0.472 85.2 129.2-123.9 -11.7 1.3 37.2 11.6 91 314 A V S >< S+ 0 0 55 -4,-1.7 3,-1.0 -5,-0.2 2,-0.4 -0.166 76.5 0.9 -52.9 139.0 3.7 39.3 9.4 92 315 A G T 3 S- 0 0 58 1,-0.2 -2,-0.0 2,-0.0 -4,-0.0 -0.679 134.9 -36.8 81.2-123.6 7.3 38.0 9.4 93 316 A N T 3 S+ 0 0 131 -2,-0.4 2,-0.2 108,-0.1 -1,-0.2 0.054 93.3 139.9-121.4 24.7 7.4 34.9 11.5 94 317 A K < - 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0 0 64 -5,-1.4 -1,-0.2 -6,-0.3 2,-0.1 -0.740 27.5-167.7 -93.3 86.7 2.6 19.3 -0.9 222 445 A Y - 0 0 60 -2,-1.3 2,-1.0 22,-0.1 -18,-0.2 -0.420 32.1 -98.8 -71.5 152.8 2.9 22.0 1.8 223 446 A N - 0 0 79 -20,-3.1 2,-0.6 -21,-0.1 -1,-0.1 -0.651 43.1-165.8 -75.9 102.1 6.1 22.9 3.4 224 447 A F - 0 0 81 -2,-1.0 -1,-0.0 4,-0.0 -3,-0.0 -0.852 8.9-171.7 -95.9 118.9 5.9 21.0 6.8 225 448 A I >> - 0 0 54 -2,-0.6 4,-2.0 1,-0.1 3,-1.1 -0.908 7.6-162.3-108.3 98.7 8.6 22.1 9.4 226 449 A P H 3> S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.830 87.1 57.7 -50.7 -39.8 8.3 19.6 12.3 227 450 A E H 34 S+ 0 0 152 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.805 111.8 42.3 -59.3 -35.5 10.2 21.9 14.8 228 451 A V H X4 S+ 0 0 34 -3,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.906 116.8 47.1 -77.3 -44.4 7.6 24.6 14.3 229 452 A W H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.552 91.6 77.8 -77.1 -12.8 4.6 22.2 14.3 230 453 A A T 3< S+ 0 0 82 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.834 91.6 56.7 -63.8 -33.5 5.7 20.3 17.5 231 454 A E T < S+ 0 0 96 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.2 0.638 100.1 76.4 -68.0 -22.1 4.4 23.4 19.5 232 455 A V S < S- 0 0 16 -3,-0.8 -33,-0.0 -4,-0.2 -34,-0.0 -0.706 88.5-106.9 -98.0 145.5 0.9 22.8 17.9 233 456 A S > - 0 0 42 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.244 20.8-123.0 -66.4 157.7 -1.7 20.2 18.7 234 457 A E H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.858 112.2 57.6 -68.3 -38.8 -2.4 17.1 16.5 235 458 A K H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.877 106.0 49.0 -59.9 -43.4 -6.1 18.2 16.3 236 459 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.930 114.2 45.0 -63.1 -47.2 -5.2 21.6 14.9 237 460 A L H X S+ 0 0 25 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.873 108.6 57.2 -64.7 -39.7 -2.8 20.1 12.2 238 461 A D H X S+ 0 0 66 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.871 107.5 48.6 -58.3 -40.7 -5.5 17.4 11.4 239 462 A L H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.941 110.5 49.7 -65.9 -47.3 -8.0 20.2 10.6 240 463 A V H >X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 3,-0.8 0.906 109.9 53.1 -53.8 -48.3 -5.3 22.1 8.3 241 464 A K H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.0 50.2 -57.5 -38.4 -4.7 18.7 6.6 242 465 A K H 3< S+ 0 0 78 -4,-1.6 10,-2.4 -3,-0.2 3,-0.3 0.632 114.6 43.5 -76.5 -17.1 -8.5 18.3 5.9 243 466 A L H << S+ 0 0 1 -4,-1.0 2,-0.7 -3,-0.8 -52,-0.2 0.752 105.1 62.6 -96.5 -30.9 -8.8 21.9 4.4 244 467 A L S < S+ 0 0 8 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.260 74.5 134.9 -89.9 46.2 -5.5 21.6 2.3 245 468 A V - 0 0 46 -2,-0.7 6,-0.2 -3,-0.3 -25,-0.1 -0.847 53.3-142.7 -98.3 128.0 -7.0 18.7 0.2 246 469 A V S S+ 0 0 73 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.879 84.3 74.4 -56.5 -46.1 -6.4 19.0 -3.6 247 470 A D S >> S- 0 0 84 1,-0.1 4,-1.8 2,-0.0 3,-0.8 -0.612 71.0-154.3 -75.2 113.0 -9.8 17.6 -4.7 248 471 A P T 34 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.725 94.1 56.6 -63.0 -19.9 -12.5 20.3 -4.0 249 472 A K T 34 S+ 0 0 102 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.769 113.0 38.6 -80.7 -28.0 -15.1 17.5 -3.6 250 473 A A T <4 S+ 0 0 59 -3,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.676 95.1 108.9 -92.7 -20.2 -13.2 15.7 -0.8 251 474 A R S < S- 0 0 20 -4,-1.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.257 81.6 -98.2 -57.7 141.4 -12.1 19.0 0.8 252 475 A F - 0 0 31 -10,-2.4 2,-0.2 -13,-0.1 -1,-0.1 -0.305 35.0-143.2 -62.0 138.8 -13.7 19.9 4.2 253 476 A T > - 0 0 49 -3,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.513 32.9 -97.3 -92.1 171.4 -16.6 22.3 4.0 254 477 A T H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.868 126.3 52.9 -57.6 -39.0 -17.2 25.0 6.7 255 478 A E H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.881 110.4 46.1 -63.8 -43.5 -19.8 22.7 8.4 256 479 A E H > S+ 0 0 59 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.894 112.9 49.8 -66.8 -41.7 -17.3 19.8 8.5 257 480 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 6,-0.3 0.930 110.0 51.4 -61.4 -44.2 -14.6 22.1 9.9 258 481 A L H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 110.9 48.4 -64.2 -27.1 -17.1 23.4 12.5 259 482 A R H 3< S+ 0 0 170 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.483 87.5 117.5 -87.2 -10.1 -17.8 19.8 13.6 260 483 A H S X< S- 0 0 6 -3,-1.3 3,-2.1 -4,-0.5 4,-0.4 -0.373 77.4-119.3 -60.8 138.2 -14.1 19.0 13.8 261 484 A P G > S+ 0 0 65 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.715 111.3 65.4 -48.7 -30.1 -12.8 18.0 17.3 262 485 A W G 3 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.806 103.8 46.6 -63.4 -30.3 -10.4 21.0 17.4 263 486 A L G < S+ 0 0 0 -3,-2.1 2,-1.7 -6,-0.3 -1,-0.2 0.466 83.3 97.0 -91.7 -1.2 -13.5 23.3 17.4 264 487 A Q < + 0 0 103 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.1 -0.599 52.9 128.2 -88.2 71.0 -15.3 21.4 20.1 265 488 A D > - 0 0 42 -2,-1.7 4,-2.3 1,-0.1 5,-0.1 -0.907 39.9-172.4-134.3 97.2 -14.0 23.8 22.8 266 489 A E H > S+ 0 0 118 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.775 87.2 57.3 -65.0 -26.6 -16.8 25.3 25.0 267 490 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 109.1 45.0 -68.1 -45.1 -14.3 27.7 26.7 268 491 A M H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 114.8 49.6 -62.5 -48.2 -13.4 29.2 23.2 269 492 A K H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.896 110.6 49.0 -57.9 -43.9 -17.2 29.3 22.3 270 493 A R H X S+ 0 0 121 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.900 109.1 52.9 -62.8 -43.8 -18.1 31.1 25.7 271 494 A K H X S+ 0 0 37 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.876 111.0 47.6 -58.9 -39.7 -15.3 33.7 25.1 272 495 A F H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.944 112.5 47.8 -67.0 -48.5 -16.9 34.3 21.6 273 496 A Q H X S+ 0 0 102 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.885 111.7 52.3 -59.7 -36.6 -20.5 34.6 23.1 274 497 A D H X S+ 0 0 99 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.867 109.6 47.6 -65.8 -39.7 -19.0 37.0 25.8 275 498 A L H X S+ 0 0 38 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.818 111.7 52.7 -70.1 -33.2 -17.4 39.2 23.1 276 499 A L H >X S+ 0 0 25 -4,-2.0 4,-2.2 2,-0.2 3,-0.6 0.984 111.1 42.6 -64.1 -62.6 -20.7 39.2 21.1 277 500 A S H 3X S+ 0 0 70 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.827 111.2 57.2 -55.5 -36.6 -23.0 40.4 24.0 278 501 A E H 3< S+ 0 0 70 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.877 112.2 40.7 -63.3 -40.4 -20.3 43.0 25.1 279 502 A E H X< S+ 0 0 109 -4,-1.4 3,-0.6 -3,-0.6 4,-0.4 0.823 114.9 52.0 -76.3 -33.3 -20.4 44.6 21.6 280 503 A N H 3X S+ 0 0 92 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.662 86.8 88.1 -73.5 -21.7 -24.2 44.3 21.4 281 504 A E T 3< S+ 0 0 70 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.777 90.1 45.2 -48.3 -38.4 -24.6 46.0 24.9 282 505 A S T <4 S+ 0 0 101 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.823 116.6 44.5 -77.4 -35.8 -24.7 49.5 23.3 283 506 A T T 4 S+ 0 0 79 -3,-0.5 -2,-0.2 -4,-0.4 2,-0.2 0.775 85.5 117.5 -76.9 -32.4 -27.2 48.5 20.5 284 507 A A < - 0 0 75 -4,-2.4 3,-0.1 1,-0.1 -3,-0.0 -0.216 48.3-160.6 -51.8 107.5 -29.6 46.5 22.8 285 508 A L - 0 0 93 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.492 39.4 -78.4 -81.1 153.9 -33.1 47.9 23.0 286 509 A P - 0 0 134 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.115 52.6-113.0 -58.7 154.2 -35.4 46.9 26.0 287 510 A Q - 0 0 167 -3,-0.1 2,-0.9 1,-0.0 -3,-0.0 -0.762 2.9-132.0-100.1 139.2 -37.0 43.5 25.9 288 511 A V - 0 0 154 -2,-0.4 2,-0.3 0, 0.0 -1,-0.0 -0.753 42.1-162.1 -80.4 102.7 -40.7 42.4 25.7 289 512 A L - 0 0 86 -2,-0.9 2,-0.0 1,-0.1 0, 0.0 -0.784 17.7-109.2 -98.0 142.3 -40.6 39.9 28.6 290 513 A A - 0 0 108 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 -0.316 29.1-151.8 -65.2 145.2 -43.0 37.1 29.4 291 514 A Q 0 0 95 -2,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.970 360.0 360.0-126.9 117.4 -45.3 37.5 32.4 292 515 A P 0 0 186 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.567 360.0 360.0 -78.6 360.0 -46.8 34.5 34.4