==== 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 4BDG . 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 . 286 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 67.5 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 . 40 14.0 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 3 2 0 0 2 0 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 0 2 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 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,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 32.3 -57.0 37.1 20.9 2 210 A S - 0 0 109 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.947 360.0-150.1-164.3 151.5 -53.9 39.4 20.4 3 211 A V - 0 0 124 -2,-0.3 3,-0.1 0, 0.0 0, 0.0 -0.859 24.5-106.9-125.0 164.2 -53.0 42.5 18.2 4 212 A Y - 0 0 66 -2,-0.3 -2,-0.0 1,-0.1 5,-0.0 -0.700 49.5 -94.5 -86.7 143.0 -49.8 43.9 16.5 5 213 A P > - 0 0 30 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.185 28.5-119.7 -58.5 148.0 -48.3 47.1 18.2 6 214 A K H > S+ 0 0 172 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.856 112.7 56.1 -53.9 -40.9 -49.3 50.4 16.7 7 215 A A H > S+ 0 0 57 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.883 111.0 42.0 -60.3 -46.2 -45.6 51.3 15.9 8 216 A L H >> S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 3,-1.3 0.956 115.1 51.8 -62.9 -52.6 -45.1 48.0 13.8 9 217 A R H 3< S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.685 101.5 61.6 -55.7 -30.4 -48.6 48.5 12.2 10 218 A D H 3< S+ 0 0 122 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.805 118.8 26.1 -68.0 -34.1 -47.7 52.1 11.2 11 219 A E H << S+ 0 0 72 -3,-1.3 19,-2.7 -4,-0.8 20,-0.4 0.714 121.0 45.5-100.6 -32.1 -44.8 50.8 9.0 12 220 A Y E < -A 29 0A 4 -4,-2.5 2,-0.7 17,-0.2 17,-0.2 -0.924 59.6-141.9-125.3 149.3 -45.7 47.3 7.9 13 221 A I E -A 28 0A 83 15,-2.2 15,-1.6 -2,-0.3 2,-0.1 -0.931 33.9-140.3-103.0 100.7 -48.7 45.3 6.6 14 222 A M E +A 27 0A 33 -2,-0.7 13,-0.2 13,-0.2 2,-0.1 -0.401 30.5 166.2 -67.7 140.9 -48.6 41.9 8.3 15 223 A S E - 0 0 47 11,-2.8 -1,-0.1 1,-0.3 12,-0.0 -0.433 35.2 -14.4-132.3-156.7 -49.4 38.8 6.3 16 224 A K E - 0 0 72 -2,-0.1 10,-2.7 9,-0.1 -1,-0.3 -0.013 67.8 -99.3 -51.6 149.8 -49.2 34.9 6.2 17 225 A T E -A 25 0A 72 8,-0.2 8,-0.3 1,-0.1 -1,-0.1 -0.540 29.6-175.5 -74.3 134.0 -47.0 32.8 8.6 18 226 A L E S- 0 0 88 6,-3.6 2,-0.2 1,-0.2 7,-0.2 0.800 74.8 -5.3 -96.1 -38.4 -43.7 31.6 7.1 19 227 A G E -A 24 0A 25 5,-1.7 5,-1.3 64,-0.1 -1,-0.2 -0.814 62.8-154.8-164.4 119.2 -42.7 29.4 10.1 20 228 A S 0 0 89 3,-0.3 5,-0.0 -2,-0.2 0, 0.0 -0.259 360.0 360.0 -82.7 171.6 -44.2 28.9 13.6 21 229 A G 0 0 116 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.066 360.0 360.0-158.3 360.0 -42.2 27.8 16.8 22 ! 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 23 233 A E 0 0 53 0, 0.0 17,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.0 -43.3 32.5 14.9 24 234 A V E -AB 19 39A 43 -5,-1.3 -6,-3.6 15,-0.2 -5,-1.7 -0.995 360.0-169.7-128.5 119.7 -42.1 34.2 11.6 25 235 A K E -AB 17 38A 44 13,-2.4 13,-3.5 -2,-0.4 2,-0.3 -0.849 23.3-123.1-114.7 150.5 -44.5 36.2 9.4 26 236 A L E + B 0 37A 25 -10,-2.7 -11,-2.8 -2,-0.3 2,-0.3 -0.674 40.0 175.4 -82.3 138.0 -44.4 37.7 5.9 27 237 A A E -AB 14 36A 0 9,-2.2 9,-2.6 -2,-0.3 2,-0.5 -0.924 27.8-128.1-141.3 166.5 -45.0 41.5 6.0 28 238 A F E -AB 13 35A 74 -15,-1.6 -15,-2.2 -2,-0.3 2,-0.4 -0.978 19.2-133.1-121.6 119.1 -45.0 44.4 3.5 29 239 A E E >> -AB 12 34A 26 5,-2.4 4,-2.6 -2,-0.5 5,-0.7 -0.595 17.1-146.5 -70.0 121.1 -43.0 47.5 4.2 30 240 A R T 45S+ 0 0 116 -19,-2.7 -1,-0.2 -2,-0.4 -18,-0.1 0.809 92.8 53.6 -56.4 -42.6 -45.6 50.3 3.5 31 241 A K T 45S+ 0 0 137 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.826 125.4 21.7 -64.3 -38.5 -42.9 52.8 2.2 32 242 A T T 45S- 0 0 65 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.614 90.1-133.0-107.3 -21.2 -41.4 50.4 -0.4 33 243 A C T <5 + 0 0 108 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.732 61.0 143.0 63.8 29.9 -44.2 47.8 -1.0 34 244 A K E < -B 29 0A 141 -5,-0.7 -5,-2.4 1,-0.1 -1,-0.3 -0.781 57.5-107.7-104.1 143.5 -41.5 45.2 -0.6 35 245 A K E +B 28 0A 53 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.408 42.6 172.9 -67.5 136.9 -41.8 41.8 1.1 36 246 A V E -BC 27 78A 2 -9,-2.6 -9,-2.2 42,-0.2 2,-0.4 -0.867 28.9-122.4-135.8 168.3 -40.0 41.6 4.5 37 247 A A E -BC 26 77A 9 40,-3.1 40,-3.5 -2,-0.3 2,-0.6 -0.981 18.5-157.0-118.0 130.6 -39.9 38.9 7.3 38 248 A I E -BC 25 76A 0 -13,-3.5 -13,-2.4 -2,-0.4 2,-0.6 -0.924 3.6-156.8-112.4 109.9 -41.0 39.7 10.8 39 249 A K E -BC 24 75A 25 36,-3.1 36,-2.5 -2,-0.6 2,-0.6 -0.767 8.4-157.4 -86.6 117.2 -39.6 37.4 13.6 40 250 A I E - C 0 74A 27 -17,-2.4 2,-0.5 -2,-0.6 34,-0.2 -0.872 7.8-170.9 -98.9 114.2 -41.8 37.5 16.7 41 251 A I E - C 0 73A 46 32,-2.3 32,-3.4 -2,-0.6 2,-0.2 -0.916 20.9-130.9-104.3 125.3 -40.1 36.6 20.0 42 252 A S E C 0 72A 95 -2,-0.5 30,-0.2 30,-0.2 29,-0.0 -0.522 360.0 360.0 -75.7 143.4 -42.4 36.1 23.1 43 253 A K 0 0 134 28,-0.5 -1,-0.1 -2,-0.2 29,-0.1 0.857 360.0 360.0 -90.0 360.0 -41.4 37.9 26.3 44 ! 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 45 269 A N > 0 0 107 0, 0.0 4,-1.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -28.2 -30.7 38.3 25.2 46 270 A V H > + 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.865 360.0 56.6 -73.9 -35.5 -32.7 39.9 22.2 47 271 A E H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.854 107.8 47.7 -62.4 -37.3 -30.8 43.2 22.8 48 272 A T H > S+ 0 0 53 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.929 111.3 51.0 -66.8 -46.6 -27.5 41.2 22.4 49 273 A E H X S+ 0 0 29 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.868 112.9 45.1 -58.3 -42.6 -28.9 39.6 19.2 50 274 A I H X S+ 0 0 24 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.949 112.5 51.3 -67.1 -50.1 -29.9 43.1 17.8 51 275 A E H X S+ 0 0 65 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.906 114.2 44.3 -52.4 -48.0 -26.5 44.6 18.8 52 276 A I H >X S+ 0 0 10 -4,-3.0 4,-1.9 1,-0.2 3,-0.7 0.982 114.6 48.3 -60.9 -58.4 -24.7 41.7 17.0 53 277 A L H 3< S+ 0 0 3 -4,-2.7 11,-0.3 1,-0.2 -2,-0.2 0.810 109.6 51.9 -49.5 -47.0 -26.9 41.8 13.9 54 278 A K H 3< S+ 0 0 85 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.6 43.7 -61.0 -39.8 -26.6 45.6 13.4 55 279 A K H << S+ 0 0 82 -4,-1.4 2,-0.3 -3,-0.7 -2,-0.2 0.795 98.6 84.1 -77.3 -34.7 -22.8 45.5 13.5 56 280 A L < + 0 0 10 -4,-1.9 2,-0.3 -5,-0.1 58,-0.0 -0.586 52.2 177.7 -78.2 132.5 -22.3 42.4 11.3 57 281 A N + 0 0 113 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.797 23.0 128.1-140.4 92.4 -22.3 43.0 7.5 58 282 A H > - 0 0 31 3,-0.3 3,-1.6 -2,-0.3 52,-0.0 -0.990 60.6-121.5-141.4 145.6 -21.7 40.0 5.2 59 283 A P T 3 S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 51,-0.0 0.664 113.1 50.1 -63.1 -16.0 -23.8 38.7 2.2 60 284 A C T 3 S+ 0 0 0 46,-0.1 82,-1.8 81,-0.1 2,-0.4 0.075 96.8 79.7-111.0 22.6 -24.3 35.3 4.0 61 285 A I B < S-e 142 0B 0 -3,-1.6 -3,-0.3 80,-0.3 82,-0.2 -0.999 89.2-106.8-128.8 126.2 -25.5 36.7 7.3 62 286 A I - 0 0 3 80,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.171 33.7-135.9 -52.6 136.6 -29.2 37.8 7.8 63 287 A K - 0 0 54 -4,-0.1 15,-1.2 -6,-0.1 2,-0.4 -0.845 7.0-131.3-103.3 135.9 -29.6 41.6 8.0 64 288 A I E +D 77 0A 31 -2,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.726 23.9 177.5 -84.5 130.5 -31.8 43.4 10.5 65 289 A K E - 0 0 102 11,-3.7 2,-0.3 -2,-0.4 12,-0.2 0.738 63.5 -13.7-101.9 -36.3 -34.1 46.0 8.9 66 290 A N E -D 76 0A 44 10,-1.4 10,-2.5 2,-0.0 -1,-0.4 -0.972 56.8-144.5-163.1 162.7 -36.1 47.2 12.0 67 291 A F E -D 75 0A 62 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.991 4.8-167.7-145.9 137.2 -36.9 46.3 15.6 68 292 A F E -D 74 0A 21 6,-3.2 6,-2.8 -2,-0.3 2,-0.9 -0.967 4.3-167.9-127.6 112.8 -40.0 46.6 17.9 69 293 A D E +D 73 0A 103 -2,-0.5 4,-0.2 4,-0.2 2,-0.1 -0.830 42.5 129.3 -98.9 88.4 -39.7 46.1 21.7 70 294 A A S S- 0 0 32 2,-2.4 -66,-0.0 -2,-0.9 -2,-0.0 -0.032 84.5 -46.4-113.3-143.8 -43.5 45.9 22.7 71 295 A E S S+ 0 0 95 -2,-0.1 -28,-0.5 -28,-0.1 2,-0.3 0.650 139.3 17.6 -67.8 -14.5 -45.5 43.3 24.8 72 296 A D E S-C 42 0A 48 -30,-0.2 -2,-2.4 -29,-0.1 2,-0.4 -0.850 98.9 -96.6-142.3 168.4 -43.4 40.9 22.5 73 297 A Y E -CD 41 69A 60 -32,-3.4 -32,-2.3 -2,-0.3 2,-0.5 -0.825 31.9-165.8 -97.6 135.4 -40.2 41.4 20.4 74 298 A Y E -CD 40 68A 13 -6,-2.8 -6,-3.2 -2,-0.4 2,-0.5 -0.988 3.7-173.3-123.5 120.2 -40.5 42.1 16.7 75 299 A I E -CD 39 67A 1 -36,-2.5 -36,-3.1 -2,-0.5 2,-0.5 -0.961 12.7-151.4-117.3 113.0 -37.5 41.8 14.4 76 300 A V E +CD 38 66A 0 -10,-2.5 -11,-3.7 -2,-0.5 -10,-1.4 -0.737 27.1 170.7 -85.0 119.0 -37.9 42.9 10.8 77 301 A L E -CD 37 64A 18 -40,-3.5 -40,-3.1 -2,-0.5 -13,-0.2 -0.839 41.8 -83.7-123.9 165.4 -35.5 41.0 8.6 78 302 A E E -C 36 0A 50 -15,-1.2 2,-0.2 -2,-0.3 -42,-0.2 -0.457 53.7-111.0 -68.1 137.0 -34.9 40.5 4.8 79 303 A L - 0 0 30 -44,-0.5 2,-0.6 -2,-0.1 -1,-0.1 -0.522 22.6-154.8 -74.7 139.7 -37.2 37.9 3.4 80 304 A M > - 0 0 21 -2,-0.2 3,-1.2 1,-0.1 51,-0.2 -0.963 3.4-165.9-118.0 100.7 -35.7 34.6 2.2 81 305 A E T 3 S+ 0 0 139 51,-1.3 52,-0.2 -2,-0.6 51,-0.2 0.584 83.3 61.4 -66.4 -14.8 -38.0 33.1 -0.4 82 306 A G T 3 S- 0 0 15 49,-2.1 -1,-0.2 1,-0.3 50,-0.2 0.586 93.4-154.5 -87.0 -13.3 -36.3 29.7 -0.3 83 307 A G E < -F 131 0B 29 -3,-1.2 48,-2.6 48,-0.6 -1,-0.3 -0.368 45.1 -9.2 73.5-150.3 -37.2 29.2 3.4 84 308 A E E > -F 130 0B 64 46,-0.2 3,-0.8 1,-0.1 46,-0.2 -0.594 49.9-137.9 -84.7 144.1 -35.1 26.9 5.7 85 309 A L T >> S+ 0 0 0 44,-2.9 3,-2.5 41,-0.9 4,-0.8 0.832 102.3 72.8 -64.9 -32.5 -32.4 24.5 4.4 86 310 A F H >> S+ 0 0 64 40,-1.6 4,-2.3 43,-0.3 3,-0.9 0.838 88.5 59.0 -48.3 -42.6 -33.9 22.0 6.9 87 311 A D H <4 S+ 0 0 80 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.528 104.4 51.7 -67.8 -9.7 -36.9 21.6 4.5 88 312 A K H <4 S+ 0 0 78 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.609 119.3 33.7 -98.4 -20.0 -34.5 20.4 1.7 89 313 A V H < S+ 0 0 63 -4,-2.3 3,-0.6 -5,-0.2 110,-0.0 -0.135 75.3 5.4 -51.1 132.8 -35.8 16.6 6.1 91 315 A G T 34 S- 0 0 67 1,-0.2 -1,-0.2 2,-0.0 109,-0.1 0.948 133.5 -46.2 54.8 68.9 -36.6 12.8 6.2 92 316 A N T 34 S+ 0 0 132 107,-0.8 2,-0.3 -3,-0.2 -1,-0.2 0.466 93.4 146.4 57.8 10.8 -33.8 11.2 4.2 93 317 A K << - 0 0 106 -3,-0.6 2,-0.4 -4,-0.5 -1,-0.2 -0.589 33.9-155.4 -73.2 128.9 -34.0 13.8 1.3 94 318 A R - 0 0 109 -2,-0.3 2,-0.2 104,-0.1 103,-0.1 -0.950 9.6-140.1-120.9 137.4 -30.5 14.4 -0.2 95 319 A L - 0 0 22 101,-1.4 2,-0.0 -2,-0.4 5,-0.0 -0.566 34.9-101.0 -82.3 146.4 -29.0 17.4 -2.0 96 320 A K > - 0 0 122 -2,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.365 35.0-110.3 -68.4 147.8 -26.6 16.8 -5.0 97 321 A E H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.837 117.8 53.4 -46.9 -43.0 -22.9 17.2 -4.2 98 322 A A H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 109.2 48.7 -59.9 -44.5 -22.6 20.5 -6.3 99 323 A T H > S+ 0 0 3 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.877 109.2 53.6 -62.9 -42.1 -25.5 22.0 -4.3 100 324 A C H X S+ 0 0 2 -4,-2.0 4,-3.3 2,-0.2 -1,-0.2 0.894 110.5 47.2 -58.8 -46.9 -23.9 20.9 -1.0 101 325 A K H X S+ 0 0 24 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.948 109.9 51.5 -60.7 -52.3 -20.6 22.7 -2.0 102 326 A L H X S+ 0 0 5 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.869 118.5 37.8 -53.4 -44.0 -22.4 25.9 -3.1 103 327 A Y H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 116.7 51.5 -73.9 -47.0 -24.2 26.1 0.2 104 328 A F H X S+ 0 0 1 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.919 106.0 54.8 -57.9 -46.3 -21.3 24.8 2.4 105 329 A Y H X S+ 0 0 43 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.895 110.7 46.1 -52.2 -47.0 -18.9 27.4 0.9 106 330 A Q H X S+ 0 0 0 -4,-1.1 4,-2.7 -5,-0.3 -1,-0.2 0.894 110.8 51.5 -65.8 -43.0 -21.2 30.2 1.9 107 331 A M H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.912 111.9 49.5 -60.4 -41.6 -21.8 28.7 5.4 108 332 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.925 111.9 46.4 -64.3 -44.9 -17.9 28.6 5.7 109 333 A L H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.906 114.9 48.3 -61.2 -44.0 -17.5 32.3 4.5 110 334 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.920 115.4 42.8 -61.8 -49.7 -20.3 33.4 6.9 111 335 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.846 111.1 55.3 -69.7 -34.4 -18.8 31.5 9.9 112 336 A Q H X S+ 0 0 30 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.983 109.0 49.0 -60.4 -50.6 -15.3 32.7 9.1 113 337 A Y H X S+ 0 0 41 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.883 109.6 51.5 -50.3 -53.6 -16.6 36.3 9.1 114 338 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 -1,-0.2 0.914 115.0 41.6 -49.2 -55.1 -18.3 35.7 12.5 115 339 A H H ><5S+ 0 0 8 -4,-2.2 3,-1.9 3,-0.3 -2,-0.2 0.887 111.7 55.0 -63.6 -42.6 -15.1 34.3 14.1 116 340 A E H 3<5S+ 0 0 131 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.883 113.3 43.8 -54.9 -42.3 -12.9 37.0 12.3 117 341 A N T 3<5S- 0 0 84 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.130 123.9-106.7 -89.5 11.9 -15.3 39.6 14.1 118 342 A G T < 5S+ 0 0 19 -3,-1.9 33,-3.0 1,-0.2 2,-0.4 0.818 76.2 130.2 63.3 40.0 -15.2 37.7 17.4 119 343 A I E < -H 150 0C 14 -5,-2.7 2,-0.5 31,-0.2 -1,-0.2 -0.992 40.6-162.0-125.2 130.2 -18.7 36.2 17.3 120 344 A I E -H 149 0C 4 29,-2.3 29,-2.4 -2,-0.4 63,-0.0 -0.972 7.1-157.3-111.6 117.5 -19.6 32.5 17.9 121 345 A H - 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0 0 55 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.439 18.3-137.6 -74.1 146.9 -27.7 12.5 10.7 202 426 A P S S+ 0 0 0 0, 0.0 20,-2.8 0, 0.0 2,-0.4 0.850 93.7 34.9 -70.2 -31.5 -24.2 11.3 11.8 203 427 A F S S+ 0 0 21 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.991 75.7 138.4-128.2 122.0 -25.4 10.8 15.4 204 428 A S - 0 0 30 -2,-0.4 11,-0.0 2,-0.1 18,-0.0 -0.974 56.5-124.2-154.6 161.3 -29.0 9.6 16.4 205 429 A E S > S+ 0 0 78 -2,-0.3 3,-0.7 2,-0.0 2,-0.3 0.437 77.1 115.2 -89.2 1.3 -30.7 7.2 18.8 206 430 A H T 3 S- 0 0 158 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.570 89.3 -11.0 -76.1 132.1 -32.4 5.4 15.7 207 431 A R T 3 S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.865 113.5 100.2 42.9 55.7 -31.3 1.8 15.1 208 432 A T < - 0 0 52 -3,-0.7 -1,-0.1 1,-0.1 0, 0.0 -0.975 60.3-150.9-160.1 153.5 -28.4 1.8 17.7 209 433 A Q S S+ 0 0 196 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.789 73.9 91.5 -94.3 -39.3 -27.6 0.8 21.3 210 434 A V S S- 0 0 66 1,-0.1 2,-0.0 2,-0.1 5,-0.0 -0.390 84.1-110.7 -66.0 129.5 -25.0 3.4 22.0 211 435 A S > - 0 0 54 -2,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.332 20.9-117.5 -62.3 145.0 -26.3 6.7 23.6 212 436 A L H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.877 118.1 55.6 -48.4 -43.1 -26.3 10.0 21.6 213 437 A K H > S+ 0 0 153 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.926 109.5 44.5 -54.9 -55.2 -23.9 11.3 24.3 214 438 A D H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 6,-0.3 0.864 110.0 54.2 -61.5 -41.2 -21.4 8.4 23.8 215 439 A Q H X>S+ 0 0 9 -4,-2.4 5,-1.4 1,-0.2 4,-1.2 0.936 115.1 41.6 -56.6 -49.6 -21.6 8.5 19.9 216 440 A I H <5S+ 0 0 64 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.927 114.9 48.5 -66.0 -49.7 -20.7 12.3 20.1 217 441 A T H <5S+ 0 0 81 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 118.2 41.2 -59.3 -42.9 -18.0 12.0 22.8 218 442 A S H <5S- 0 0 70 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.733 104.8-135.1 -72.2 -26.3 -16.3 9.1 21.0 219 443 A G T <5 + 0 0 13 -4,-1.2 2,-1.2 -5,-0.3 -3,-0.2 0.669 51.9 150.2 74.2 21.7 -16.8 10.9 17.7 220 444 A K < - 0 0 89 -5,-1.4 -1,-0.2 -6,-0.3 2,-0.1 -0.693 27.0-168.7 -90.6 85.8 -18.0 7.6 16.2 221 445 A Y - 0 0 58 -2,-1.2 2,-0.7 22,-0.1 -18,-0.2 -0.386 32.1 -98.3 -74.1 152.3 -20.5 8.6 13.5 222 446 A N - 0 0 72 -20,-2.8 2,-0.7 -21,-0.2 -1,-0.1 -0.603 40.5-164.8 -72.1 108.6 -22.9 6.2 11.7 223 447 A F - 0 0 84 -2,-0.7 -1,-0.0 4,-0.0 -3,-0.0 -0.894 8.9-174.6-102.1 112.4 -21.2 5.4 8.4 224 448 A I >> - 0 0 56 -2,-0.7 4,-1.9 1,-0.2 3,-0.7 -0.907 7.9-163.7-103.8 102.4 -23.5 3.8 5.8 225 449 A P H 3> S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.908 85.3 59.0 -53.8 -47.0 -21.3 2.9 2.8 226 450 A E H 34 S+ 0 0 156 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.811 111.4 43.1 -48.6 -40.7 -24.2 2.3 0.3 227 451 A V H X4 S+ 0 0 31 -3,-0.7 3,-0.9 1,-0.2 -1,-0.2 0.946 117.0 43.8 -72.6 -51.5 -25.3 6.0 0.9 228 452 A W H >< S+ 0 0 8 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.542 92.3 82.4 -73.3 -13.8 -21.8 7.6 0.8 229 453 A A T 3< S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.871 90.2 53.7 -58.2 -37.5 -20.8 5.5 -2.3 230 454 A E T < S+ 0 0 83 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.3 0.301 101.7 82.2 -77.4 4.7 -22.6 8.2 -4.4 231 455 A V S < S- 0 0 20 -3,-1.8 -135,-0.0 -135,-0.1 -33,-0.0 -0.937 85.8-109.8-118.5 139.0 -20.4 10.9 -2.6 232 456 A S > - 0 0 39 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.213 18.9-124.9 -62.2 153.1 -16.8 11.9 -3.4 233 457 A E H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.831 111.8 57.9 -67.4 -34.0 -13.8 11.0 -1.2 234 458 A K H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.909 105.8 49.2 -60.5 -48.7 -12.9 14.8 -1.0 235 459 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.940 114.7 43.8 -56.9 -53.6 -16.4 15.6 0.5 236 460 A L H X S+ 0 0 31 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.830 108.1 59.2 -63.1 -36.5 -16.1 12.9 3.1 237 461 A D H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.959 106.8 48.0 -58.6 -47.1 -12.5 13.8 3.9 238 462 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.880 110.9 50.0 -57.9 -44.9 -13.7 17.3 4.9 239 463 A V H >X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 3,-0.7 0.952 111.1 49.5 -57.7 -52.0 -16.5 15.9 7.1 240 464 A K H 3< S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.4 52.1 -54.2 -41.4 -14.0 13.6 8.8 241 465 A K H 3< S+ 0 0 72 -4,-2.3 10,-1.4 1,-0.2 3,-0.3 0.758 114.6 40.3 -68.4 -31.3 -11.7 16.7 9.3 242 466 A L H << S+ 0 0 0 -4,-1.6 2,-1.2 -3,-0.7 -2,-0.2 0.768 105.1 65.7 -87.8 -31.9 -14.5 18.8 11.0 243 467 A L S < S+ 0 0 8 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.394 72.3 136.6 -89.7 55.1 -16.0 15.9 13.1 244 468 A V - 0 0 41 -2,-1.2 6,-0.2 -3,-0.3 -25,-0.1 -0.930 52.7-144.5-105.2 122.5 -12.8 15.7 15.2 245 469 A V S S+ 0 0 70 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.879 84.5 76.7 -55.1 -46.3 -13.4 15.3 19.0 246 470 A D S > S- 0 0 88 1,-0.2 4,-2.1 2,-0.1 3,-0.5 -0.570 70.4-157.2 -70.4 112.3 -10.3 17.4 20.0 247 471 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 0.710 93.3 53.8 -65.6 -18.2 -11.4 21.1 19.4 248 472 A K T 4 S+ 0 0 107 1,-0.1 -2,-0.1 -65,-0.0 -3,-0.0 0.811 113.3 41.8 -82.1 -32.1 -7.7 22.1 19.1 249 473 A A T 4 S+ 0 0 59 -3,-0.5 -1,-0.1 2,-0.1 -4,-0.1 0.739 94.9 107.7 -82.2 -30.1 -7.1 19.5 16.4 250 474 A R S < S- 0 0 21 -4,-2.1 -8,-0.2 -6,-0.2 2,-0.1 -0.065 81.0 -95.7 -50.0 146.9 -10.5 20.3 14.6 251 475 A F - 0 0 34 -10,-1.4 2,-0.2 -13,-0.1 -1,-0.1 -0.384 35.3-142.2 -67.3 141.8 -10.5 22.1 11.2 252 476 A T > - 0 0 49 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.482 31.6-100.9 -93.3 174.2 -11.1 25.9 11.3 253 477 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.898 126.4 52.5 -63.3 -34.4 -13.2 27.8 8.7 254 478 A E H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 110.1 45.6 -65.8 -44.4 -9.8 28.8 7.1 255 479 A E H > S+ 0 0 82 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.877 114.3 49.3 -67.1 -41.0 -8.5 25.2 6.9 256 480 A A H >< S+ 0 0 0 -4,-2.2 3,-1.2 2,-0.2 6,-0.3 0.940 110.5 49.4 -63.8 -48.6 -11.9 24.0 5.5 257 481 A L H 3< S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.8 49.9 -61.8 -29.7 -11.9 26.8 2.9 258 482 A R H 3< S+ 0 0 158 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.590 88.5 114.6 -81.8 -16.4 -8.3 25.7 1.9 259 483 A H S XX S- 0 0 5 -3,-1.2 3,-1.9 -4,-0.6 4,-0.6 -0.274 79.8-118.0 -57.3 139.6 -9.5 22.1 1.7 260 484 A P G >4 S+ 0 0 73 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.778 110.4 66.5 -46.6 -35.8 -9.3 20.5 -1.9 261 485 A W G 34 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.800 103.6 45.4 -59.8 -29.1 -13.1 19.9 -1.9 262 486 A L G <4 S+ 0 0 4 -3,-1.9 2,-2.4 -6,-0.3 -1,-0.2 0.575 82.4 97.8 -92.1 -8.6 -13.6 23.7 -1.9 263 487 A Q << + 0 0 125 -3,-1.0 2,-0.5 -4,-0.6 -1,-0.1 -0.404 54.0 132.3 -78.9 62.0 -11.0 24.4 -4.6 264 488 A D > - 0 0 42 -2,-2.4 4,-2.6 1,-0.1 5,-0.1 -0.950 39.2-172.5-123.4 103.0 -13.8 24.5 -7.3 265 489 A E H > S+ 0 0 132 -2,-0.5 4,-2.3 2,-0.2 -1,-0.1 0.792 87.4 55.5 -69.5 -26.3 -13.8 27.5 -9.7 266 490 A D H > S+ 0 0 111 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.924 111.4 44.1 -68.2 -46.3 -17.2 26.6 -11.2 267 491 A M H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.956 114.2 49.4 -62.2 -53.7 -18.8 26.7 -7.7 268 492 A K H X S+ 0 0 18 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.870 112.7 48.7 -54.4 -41.0 -16.9 29.9 -6.7 269 493 A R H X S+ 0 0 126 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.920 108.7 52.5 -65.3 -47.1 -18.1 31.5 -10.1 270 494 A K H X S+ 0 0 30 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 111.0 47.2 -55.3 -47.8 -21.8 30.5 -9.6 271 495 A F H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 112.2 50.0 -60.4 -45.9 -21.8 32.1 -6.1 272 496 A Q H X S+ 0 0 109 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.854 110.6 50.5 -59.6 -37.3 -20.2 35.3 -7.5 273 497 A D H X S+ 0 0 98 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.807 111.7 46.7 -69.6 -35.4 -22.8 35.3 -10.3 274 498 A L H X S+ 0 0 40 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.812 111.8 53.1 -73.9 -35.0 -25.7 35.0 -7.7 275 499 A L H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 3,-0.3 0.958 110.7 43.8 -63.5 -57.4 -24.0 37.7 -5.6 276 500 A S H X S+ 0 0 68 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.799 110.6 58.0 -59.1 -32.7 -23.8 40.3 -8.4 277 501 A E H < S+ 0 0 68 -4,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.897 112.5 38.8 -64.3 -43.7 -27.4 39.3 -9.4 278 502 A E H >< S+ 0 0 74 -4,-1.7 3,-1.0 -3,-0.3 4,-0.4 0.939 118.9 48.2 -68.9 -50.9 -28.7 40.3 -5.9 279 503 A N H >< S+ 0 0 78 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.637 92.7 79.0 -64.6 -23.1 -26.4 43.4 -5.7 280 504 A E G >< S+ 0 0 67 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.795 87.2 58.7 -57.4 -35.9 -27.4 44.6 -9.2 281 505 A S G < S+ 0 0 95 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.852 114.9 33.7 -62.7 -40.2 -30.7 46.1 -7.8 282 506 A T G < S+ 0 0 122 -3,-0.6 2,-0.5 -4,-0.4 -1,-0.2 0.251 84.2 133.3-103.6 9.2 -28.9 48.4 -5.3 283 507 A A < - 0 0 75 -3,-0.6 3,-0.1 -4,-0.5 -3,-0.0 -0.512 43.8-152.5 -70.4 111.7 -25.7 49.2 -7.4 284 508 A L - 0 0 95 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.576 32.0 -99.9 -76.8 143.6 -25.0 53.0 -7.3 285 509 A P - 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.364 51.6-138.4 -63.5 148.2 -23.0 54.2 -10.5 286 510 A Q - 0 0 180 -3,-0.1 2,-0.3 1,-0.0 -3,-0.0 -0.785 12.2 -93.1-123.5 166.3 -19.4 54.5 -9.7 287 511 A V 0 0 152 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.543 360.0 360.0 -68.8 121.5 -16.2 56.6 -10.1 288 512 A L 0 0 149 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.606 360.0 360.0-120.2 360.0 -14.2 55.4 -13.1