==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-10 2XK9 . COMPND 2 MOLECULE: CHECKPOINT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.T.LOUNTOS,A.G.JOBSON,J.E.TROPEA,C.SELF,R.H.SHOEMAKER,Y.POM . 284 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 65.8 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 14.1 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 . 0 0.0 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 5.6 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 . 85 29.9 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 3 1 1 0 0 2 0 0 0 1 0 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 1 211 A V 0 0 188 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.6 -63.6 24.8 -17.8 2 212 A Y - 0 0 64 1,-0.1 10,-0.0 2,-0.1 0, 0.0 -0.497 360.0 -90.4 -74.1 151.7 -63.1 21.4 -16.3 3 213 A P > - 0 0 28 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.276 30.1-121.1 -65.1 151.3 -64.9 18.4 -17.9 4 214 A K H > S+ 0 0 171 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.872 110.0 55.4 -57.8 -42.4 -68.3 17.5 -16.5 5 215 A A H > S+ 0 0 57 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.870 111.2 44.9 -63.8 -33.9 -67.3 13.9 -15.6 6 216 A L H >> S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 3,-1.8 0.973 111.8 50.4 -70.9 -53.7 -64.4 15.2 -13.4 7 217 A R H 3< S+ 0 0 140 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.810 102.7 65.6 -53.9 -32.6 -66.5 17.9 -11.8 8 218 A D H 3< S+ 0 0 121 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.823 116.5 22.8 -57.7 -34.5 -69.1 15.2 -11.0 9 219 A E H << S+ 0 0 78 -3,-1.8 21,-2.6 -4,-0.6 22,-0.5 0.619 124.4 41.0-111.2 -16.5 -66.7 13.3 -8.7 10 220 A Y E < -A 29 0A 5 -4,-2.2 2,-0.5 19,-0.2 19,-0.2 -0.963 60.7-140.3-137.2 149.7 -64.2 15.9 -7.5 11 221 A I E -A 28 0A 82 17,-2.1 17,-2.0 -2,-0.3 2,-0.1 -0.957 31.3-134.4-107.6 124.8 -64.1 19.6 -6.4 12 222 A M E +A 27 0A 34 -2,-0.5 15,-0.2 15,-0.2 2,-0.2 -0.441 31.6 163.0 -84.3 151.0 -61.0 21.3 -7.8 13 223 A S E - 0 0 50 13,-2.4 -1,-0.1 1,-0.3 14,-0.1 -0.409 37.6 -16.5-141.0-147.8 -58.8 23.6 -5.7 14 224 A K E - 0 0 136 -2,-0.2 12,-3.2 11,-0.1 -1,-0.3 -0.043 63.6 -99.0 -72.3 167.0 -55.3 25.2 -5.7 15 225 A T E +A 25 0A 61 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.617 30.0 178.8 -84.3 139.3 -52.2 24.4 -7.7 16 226 A L E + 0 0 81 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.708 68.9 4.1-107.2 -37.9 -49.5 22.3 -6.2 17 227 A G E -A 24 0A 24 7,-1.6 7,-2.7 66,-0.1 -1,-0.4 -0.976 50.7-153.7-151.0 161.1 -47.1 22.1 -9.1 18 228 A S + 0 0 86 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -0.743 24.6 165.2-143.6 84.4 -46.5 23.5 -12.7 19 229 A G 0 0 58 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 0.931 360.0 360.0 -69.0-103.7 -44.4 21.3 -15.0 20 230 A A 0 0 128 3,-0.0 -1,-0.1 0, 0.0 3,-0.1 -0.910 360.0 360.0-158.8 360.0 -44.3 21.9 -18.7 21 ! 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 22 232 A G 0 0 29 0, 0.0 2,-0.3 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 136.0 -48.1 19.8 -17.2 23 233 A E E - B 0 40A 53 17,-1.3 17,-3.3 -5,-0.2 2,-0.4 -0.923 360.0-150.2-160.2 141.5 -49.9 21.1 -14.1 24 234 A V E -AB 17 39A 40 -7,-2.7 -8,-2.9 -2,-0.3 -7,-1.6 -0.987 18.6-170.6-118.6 129.5 -50.8 19.3 -10.7 25 235 A K E -AB 15 38A 28 13,-2.4 13,-2.5 -2,-0.4 2,-0.3 -0.886 24.3-120.0-120.1 149.1 -53.9 20.4 -8.7 26 236 A L E + B 0 37A 14 -12,-3.2 -13,-2.4 -2,-0.3 2,-0.3 -0.629 41.1 167.9 -74.5 138.8 -55.4 19.8 -5.3 27 237 A A E -AB 12 36A 0 9,-1.9 9,-3.1 -2,-0.3 2,-0.5 -0.965 29.0-131.0-146.4 162.0 -58.9 18.3 -5.4 28 238 A F E -AB 11 35A 67 -17,-2.0 -17,-2.1 -2,-0.3 2,-0.5 -0.971 20.4-128.0-116.5 131.7 -61.4 16.6 -3.0 29 239 A E E >> -AB 10 34A 37 5,-2.7 4,-2.6 -2,-0.5 5,-0.6 -0.661 17.4-148.6 -76.4 120.2 -63.2 13.4 -3.8 30 240 A R T 45S+ 0 0 121 -21,-2.6 -1,-0.2 -2,-0.5 -20,-0.1 0.900 91.9 56.4 -55.3 -47.3 -66.8 14.2 -3.2 31 241 A K T 45S+ 0 0 181 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.868 127.0 16.1 -56.7 -39.3 -67.8 10.7 -2.1 32 242 A T T 45S- 0 0 59 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.543 91.3-128.3-112.9 -12.1 -65.2 10.6 0.8 33 243 A C T <5 + 0 0 105 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.781 61.7 141.8 57.8 31.6 -64.2 14.3 1.3 34 244 A K E < -B 29 0A 144 -5,-0.6 -5,-2.7 1,-0.0 -1,-0.2 -0.753 55.8-106.8-102.7 151.0 -60.5 13.2 1.0 35 245 A K E +B 28 0A 109 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.508 40.6 172.1 -74.2 135.3 -57.7 15.1 -0.7 36 246 A V E -BC 27 78A 2 -9,-3.1 -9,-1.9 -2,-0.2 2,-0.4 -0.839 27.9-124.5-130.8 170.9 -56.4 13.8 -4.0 37 247 A A E -BC 26 77A 8 40,-2.6 40,-3.0 -2,-0.3 2,-0.5 -0.943 18.4-155.6-115.5 144.4 -53.9 15.2 -6.6 38 248 A I E -BC 25 76A 0 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.6 -0.963 2.4-154.6-128.0 116.0 -54.9 15.7 -10.2 39 249 A K E -BC 24 75A 59 36,-2.8 36,-2.5 -2,-0.5 2,-0.5 -0.783 10.5-159.5 -89.3 123.4 -52.2 15.7 -12.9 40 250 A I E -BC 23 74A 18 -17,-3.3 -17,-1.3 -2,-0.6 2,-0.5 -0.911 6.8-170.9-105.0 126.1 -53.4 17.6 -16.0 41 251 A I E - C 0 73A 37 32,-2.5 32,-2.4 -2,-0.5 -2,-0.0 -0.982 26.0-118.4-121.0 122.5 -51.6 16.9 -19.2 42 252 A S 0 0 95 -2,-0.5 30,-0.1 30,-0.2 -19,-0.0 -0.299 360.0 360.0 -61.3 137.7 -52.2 19.1 -22.3 43 253 A K 0 0 129 28,-0.3 29,-0.2 -2,-0.0 -1,-0.1 0.672 360.0 360.0-117.1 360.0 -53.7 17.3 -25.3 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 0 136 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.7 -49.2 6.9 -25.3 46 270 A V H > + 0 0 21 2,-0.2 4,-2.4 3,-0.1 5,-0.1 0.824 360.0 49.4 -89.1 -37.9 -50.9 8.5 -22.3 47 271 A E H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.868 111.3 50.8 -61.8 -35.6 -53.5 5.8 -22.3 48 272 A T H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.882 107.4 51.9 -68.6 -37.3 -50.6 3.3 -22.5 49 273 A E H X S+ 0 0 17 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.911 110.7 49.4 -61.7 -41.0 -49.0 5.1 -19.5 50 274 A I H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.933 110.3 49.9 -61.2 -46.1 -52.4 4.6 -17.7 51 275 A E H X S+ 0 0 107 -4,-2.5 4,-1.4 2,-0.2 3,-0.2 0.929 111.8 48.2 -59.8 -48.1 -52.5 0.9 -18.7 52 276 A I H X S+ 0 0 10 -4,-2.8 4,-1.1 1,-0.2 3,-0.5 0.951 113.8 47.1 -56.3 -50.5 -49.0 0.5 -17.4 53 277 A L H < S+ 0 0 7 -4,-2.7 11,-0.5 1,-0.2 -1,-0.2 0.713 105.8 57.7 -70.9 -20.0 -49.8 2.2 -14.1 54 278 A K H < S+ 0 0 120 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.823 108.3 48.5 -72.6 -31.2 -53.1 0.3 -13.6 55 279 A K H < S+ 0 0 159 -4,-1.4 -2,-0.2 -3,-0.5 2,-0.2 0.755 93.8 91.9 -77.9 -25.8 -51.1 -3.0 -13.7 56 280 A L < + 0 0 15 -4,-1.1 2,-0.2 -5,-0.1 58,-0.0 -0.493 46.7 178.1 -81.9 140.8 -48.4 -1.9 -11.2 57 281 A N + 0 0 115 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.734 28.3 122.5-143.5 85.0 -48.7 -2.6 -7.5 58 282 A H > - 0 0 32 3,-0.3 3,-1.8 -2,-0.2 52,-0.0 -0.991 60.4-126.7-144.0 141.6 -45.8 -1.5 -5.4 59 283 A P T 3 S+ 0 0 39 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.754 110.1 52.5 -63.6 -21.2 -45.7 0.9 -2.4 60 284 A C T 3 S+ 0 0 1 81,-0.1 82,-2.7 46,-0.1 2,-0.4 0.163 98.0 79.6 -99.2 19.5 -43.0 3.1 -4.0 61 285 A I B < S-e 142 0B 1 -3,-1.8 -3,-0.3 80,-0.3 82,-0.2 -0.991 88.8-108.1-126.1 134.1 -44.8 3.5 -7.3 62 286 A I - 0 0 4 80,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.218 31.1-143.8 -54.7 135.9 -47.6 6.0 -7.8 63 287 A K - 0 0 76 -4,-0.1 15,-0.7 -6,-0.1 2,-0.5 -0.895 8.4-131.4-101.8 141.5 -51.2 4.5 -8.1 64 288 A I E -D 77 0A 18 -11,-0.5 13,-0.2 -2,-0.4 3,-0.1 -0.776 21.1-180.0 -87.9 128.3 -53.9 5.9 -10.4 65 289 A K E - 0 0 101 11,-3.0 2,-0.3 -2,-0.5 12,-0.2 0.619 69.0 -13.3 -95.6 -22.5 -57.3 6.4 -8.7 66 290 A N E -D 76 0A 37 10,-1.2 10,-3.0 2,-0.0 -1,-0.4 -0.973 55.5-153.3-175.9 162.0 -59.0 7.7 -11.8 67 291 A F E -D 75 0A 44 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.990 5.2-172.8-152.8 132.8 -58.6 9.0 -15.4 68 292 A F E -D 74 0A 27 6,-2.3 6,-2.8 -2,-0.3 2,-0.6 -1.000 11.4-155.4-133.5 138.1 -60.5 11.3 -17.7 69 293 A D E +D 73 0A 73 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.882 43.8 123.6-116.1 92.5 -59.8 12.1 -21.4 70 294 A A S S- 0 0 27 2,-3.8 -68,-0.0 -2,-0.6 4,-0.0 0.195 84.9 -29.7 -89.0-147.6 -61.3 15.5 -22.3 71 295 A E S S+ 0 0 73 -28,-0.1 -28,-0.3 2,-0.0 2,-0.2 0.602 140.5 1.6 61.4 -97.0 -60.3 18.4 -23.6 72 296 A D S S- 0 0 47 -29,-0.2 -2,-3.8 -30,-0.1 2,-0.4 -0.672 93.0 -87.9-129.4-175.8 -57.1 17.4 -21.9 73 297 A Y E -CD 41 69A 43 -32,-2.4 -32,-2.5 -4,-0.2 2,-0.4 -0.879 36.4-167.7-100.3 139.6 -56.0 14.3 -19.9 74 298 A Y E -CD 40 68A 11 -6,-2.8 -6,-2.3 -2,-0.4 2,-0.5 -0.996 1.6-170.2-127.9 124.7 -56.7 14.3 -16.1 75 299 A I E -CD 39 67A 10 -36,-2.5 -36,-2.8 -2,-0.4 2,-0.4 -0.976 10.2-151.6-120.9 120.2 -55.1 11.6 -13.9 76 300 A V E +CD 38 66A 0 -10,-3.0 -11,-3.0 -2,-0.5 -10,-1.2 -0.764 26.1 160.8 -92.9 132.4 -56.2 11.4 -10.3 77 301 A L E -CD 37 64A 16 -40,-3.0 -40,-2.6 -2,-0.4 -13,-0.1 -0.890 43.7 -72.0-142.3 173.6 -53.8 10.1 -7.7 78 302 A E E -C 36 0A 25 -15,-0.7 2,-0.3 -2,-0.3 -42,-0.2 -0.350 57.3-106.1 -62.0 143.0 -53.0 9.9 -4.1 79 303 A L - 0 0 39 -44,-0.5 2,-0.5 1,-0.1 -1,-0.1 -0.551 25.4-162.2 -74.3 135.0 -51.8 13.1 -2.6 80 304 A M > - 0 0 21 -2,-0.3 3,-2.2 1,-0.1 51,-0.3 -0.791 6.7-173.7-119.1 85.5 -48.0 13.3 -1.8 81 305 A E T 3 S+ 0 0 114 51,-0.7 51,-0.2 -2,-0.5 52,-0.2 0.677 75.5 67.4 -58.5 -23.4 -47.9 16.2 0.6 82 306 A G T 3 S- 0 0 8 49,-1.9 -1,-0.3 1,-0.2 50,-0.2 0.621 93.0-149.4 -73.3 -15.2 -44.1 16.2 0.7 83 307 A G E < -F 131 0B 28 -3,-2.2 48,-3.0 48,-0.6 -1,-0.2 -0.317 40.8 -20.5 78.7-164.4 -43.8 17.4 -2.9 84 308 A E E > -F 130 0B 70 46,-0.2 3,-0.8 1,-0.1 4,-0.4 -0.511 49.8-129.8 -81.0 147.2 -41.0 16.5 -5.3 85 309 A L T >> S+ 0 0 0 44,-2.5 3,-1.5 41,-0.9 4,-0.5 0.798 103.5 76.4 -60.2 -31.5 -37.5 15.4 -4.2 86 310 A F H >> S+ 0 0 68 40,-1.2 3,-1.5 43,-0.4 4,-1.2 0.875 88.9 55.1 -47.4 -43.5 -36.2 18.1 -6.5 87 311 A D H <4 S+ 0 0 83 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.737 102.7 55.8 -68.5 -22.0 -37.1 20.8 -4.0 88 312 A K H <4 S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.533 116.9 35.2 -84.5 -7.9 -35.1 19.1 -1.2 89 313 A V H << S+ 0 0 10 -3,-1.5 3,-0.5 -4,-0.5 -2,-0.2 0.454 88.5 108.3-126.1 -6.2 -31.9 19.1 -3.4 90 314 A V S >< S+ 0 0 65 -4,-1.2 3,-1.3 1,-0.2 110,-0.0 -0.356 76.3 28.8 -72.7 154.0 -32.0 22.4 -5.4 91 315 A G T 3 S- 0 0 65 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.859 133.0 -66.3 63.5 36.9 -29.6 25.3 -4.5 92 316 A N T 3 S+ 0 0 119 -3,-0.5 -1,-0.2 107,-0.5 -2,-0.2 0.564 92.2 149.9 60.6 8.9 -26.9 22.9 -3.2 93 317 A K < - 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0 0 45 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.299 19.3-114.7 -61.9 152.8 -18.8 19.5 -23.3 212 436 A L H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 117.4 53.5 -54.6 -45.2 -21.6 17.8 -21.4 213 437 A K H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 108.3 48.2 -58.8 -45.2 -21.6 15.0 -23.9 214 438 A D H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 6,-0.3 0.843 109.3 53.6 -67.5 -33.3 -17.9 14.3 -23.5 215 439 A Q H X>S+ 0 0 12 -4,-2.2 5,-1.1 2,-0.2 4,-1.0 0.918 113.0 43.9 -62.3 -43.0 -18.2 14.3 -19.7 216 440 A I H ><5S+ 0 0 66 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.954 112.7 48.1 -73.9 -47.5 -21.0 11.7 -19.8 217 441 A T H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.729 116.0 44.8 -71.1 -19.9 -19.5 9.3 -22.4 218 442 A S H 3<5S- 0 0 58 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.637 104.0-131.6 -91.0 -16.4 -16.1 9.3 -20.7 219 443 A G T <<5 + 0 0 12 -4,-1.0 2,-1.5 -3,-0.5 -3,-0.2 0.650 54.5 148.4 76.5 15.4 -17.7 8.8 -17.2 220 444 A K < - 0 0 162 -5,-1.1 -1,-0.2 -6,-0.3 2,-0.1 -0.644 27.5-170.6 -91.4 86.2 -15.6 11.6 -15.8 221 445 A Y - 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0 0 41 -2,-0.4 4,-1.2 1,-0.1 -1,-0.1 -0.002 17.1-121.9 -55.9 164.1 -18.9 7.9 3.8 233 457 A E H > S+ 0 0 183 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.826 110.5 58.8 -73.4 -37.3 -16.7 5.8 1.5 234 458 A K H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.891 105.4 49.4 -61.1 -41.3 -19.4 3.1 1.1 235 459 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 113.2 46.2 -64.7 -44.6 -21.8 5.7 -0.4 236 460 A L H X S+ 0 0 26 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.881 108.7 56.2 -66.3 -39.0 -19.3 7.0 -2.8 237 461 A D H X S+ 0 0 53 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.902 107.2 48.8 -61.6 -42.0 -18.3 3.4 -3.8 238 462 A L H >X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 3,-0.8 0.961 108.7 53.9 -61.5 -48.8 -22.0 2.6 -4.7 239 463 A V H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.7 0.904 107.3 52.2 -48.5 -43.9 -22.1 5.8 -6.8 240 464 A K H 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 106.5 51.5 -69.9 -27.2 -19.0 4.7 -8.7 241 465 A K H << S+ 0 0 76 -4,-1.3 10,-2.1 -3,-0.8 3,-0.3 0.653 112.4 46.9 -83.2 -15.9 -20.5 1.3 -9.6 242 466 A L H << S+ 0 0 0 -4,-1.3 2,-0.7 -3,-0.7 -2,-0.2 0.766 105.5 59.2 -90.3 -30.7 -23.6 2.9 -10.9 243 467 A L S < S+ 0 0 9 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.222 74.0 133.9 -94.5 48.5 -21.8 5.6 -13.0 244 468 A V - 0 0 44 -2,-0.7 6,-0.1 -3,-0.3 -25,-0.1 -0.834 52.8-144.1 -98.0 133.2 -19.9 3.0 -15.1 245 469 A V S S+ 0 0 74 -2,-0.4 -1,-0.1 -27,-0.2 -26,-0.1 0.877 81.3 79.0 -72.7 -36.7 -20.0 3.8 -18.8 246 470 A D S >> S- 0 0 78 1,-0.2 4,-1.4 -3,-0.1 3,-0.7 -0.604 70.8-153.7 -72.9 113.7 -20.2 0.2 -20.0 247 471 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.802 92.9 55.6 -58.7 -30.9 -23.9 -0.8 -19.6 248 472 A K T 34 S+ 0 0 102 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.814 112.4 41.1 -70.5 -34.5 -23.0 -4.6 -19.2 249 473 A A T <4 S+ 0 0 61 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.575 93.0 109.0 -84.6 -17.5 -20.5 -3.9 -16.3 250 474 A R S < S- 0 0 21 -4,-1.4 -8,-0.2 -6,-0.1 -9,-0.1 -0.380 80.7 -98.0 -62.3 142.6 -22.9 -1.4 -14.6 251 475 A F - 0 0 37 -10,-2.1 2,-0.2 -13,-0.1 -1,-0.1 -0.295 35.2-143.4 -56.7 135.6 -24.5 -2.4 -11.3 252 476 A T > - 0 0 49 -3,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.456 34.0 -96.7 -88.5 174.1 -28.1 -3.6 -11.6 253 477 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 125.5 55.5 -59.6 -39.4 -30.7 -2.9 -9.0 254 478 A E H > S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.897 108.3 45.5 -57.4 -47.4 -30.0 -6.3 -7.5 255 479 A E H 4 S+ 0 0 70 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.802 111.4 53.2 -71.1 -30.5 -26.3 -5.7 -7.1 256 480 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 6,-0.2 0.840 105.4 54.1 -71.6 -33.7 -27.0 -2.2 -5.6 257 481 A L H 3< S+ 0 0 25 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.733 109.1 49.7 -72.1 -21.7 -29.4 -3.7 -3.0 258 482 A R T 3< S+ 0 0 174 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.346 85.4 117.3 -95.0 1.1 -26.5 -6.1 -1.9 259 483 A H S X S- 0 0 7 -3,-0.9 3,-2.2 -4,-0.1 4,-0.3 -0.500 78.1-115.8 -70.9 142.6 -24.0 -3.3 -1.6 260 484 A P G > S+ 0 0 65 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.769 112.1 65.0 -46.9 -35.4 -22.5 -2.7 1.9 261 485 A W G 3 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.793 104.3 44.8 -62.2 -27.5 -24.0 0.8 2.0 262 486 A L G < S+ 0 0 0 -3,-2.2 2,-1.1 -6,-0.2 -1,-0.2 0.329 84.8 94.0-102.8 9.2 -27.6 -0.7 2.0 263 487 A Q < + 0 0 103 -3,-1.3 2,-0.5 -4,-0.3 -1,-0.2 -0.528 54.3 129.3 -92.0 63.9 -26.9 -3.4 4.6 264 488 A D > - 0 0 44 -2,-1.1 4,-1.8 1,-0.1 3,-0.3 -0.908 41.6-169.4-126.5 95.8 -28.1 -1.0 7.3 265 489 A E H > S+ 0 0 141 -2,-0.5 4,-1.6 1,-0.2 5,-0.2 0.721 85.1 60.8 -65.4 -22.9 -30.8 -2.7 9.5 266 490 A D H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.960 107.1 46.1 -63.0 -50.1 -31.8 0.6 11.2 267 491 A M H > S+ 0 0 12 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.898 111.1 51.5 -59.5 -44.1 -32.8 2.0 7.8 268 492 A K H X S+ 0 0 43 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.867 111.0 48.0 -64.5 -35.0 -34.7 -1.1 6.7 269 493 A R H X S+ 0 0 115 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.933 108.7 53.4 -70.2 -45.5 -36.7 -1.1 10.0 270 494 A K H X S+ 0 0 70 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.828 111.9 47.7 -56.4 -30.5 -37.5 2.6 9.6 271 495 A F H X S+ 0 0 6 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.928 109.8 50.3 -76.7 -48.0 -38.8 1.6 6.1 272 496 A Q H X S+ 0 0 97 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.884 110.8 50.2 -57.8 -38.3 -40.9 -1.3 7.3 273 497 A D H X S+ 0 0 79 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.819 106.6 54.4 -71.8 -32.2 -42.5 0.8 10.0 274 498 A L H X S+ 0 0 11 -4,-1.1 4,-1.9 -5,-0.3 -1,-0.2 0.867 104.9 55.0 -66.6 -34.4 -43.3 3.5 7.5 275 499 A L H X S+ 0 0 25 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.911 108.2 48.4 -63.0 -42.0 -45.1 0.9 5.4 276 500 A S H < S+ 0 0 79 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.928 106.6 55.4 -65.3 -46.6 -47.3 -0.0 8.4 277 501 A E H < S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.916 111.4 46.2 -47.5 -48.0 -48.1 3.6 9.2 278 502 A E H < S+ 0 0 79 -4,-1.9 2,-0.6 -5,-0.1 -2,-0.2 0.884 97.2 85.5 -63.8 -42.1 -49.5 3.9 5.5 279 503 A N < + 0 0 93 -4,-2.0 2,-0.4 -5,-0.1 -1,-0.1 -0.524 44.5 161.3 -75.6 110.8 -51.5 0.6 5.7 280 504 A E + 0 0 157 -2,-0.6 2,-0.2 0, 0.0 -1,-0.0 -0.845 31.5 118.3-125.7 95.1 -55.0 0.9 7.1 281 505 A S - 0 0 115 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.639 50.0 -26.8-147.5-158.2 -57.1 -2.1 6.0 282 506 A T - 0 0 126 -2,-0.2 -1,-0.2 1,-0.1 2,-0.0 0.100 55.1 -96.1 -79.1 162.5 -59.1 -5.2 7.0 283 507 A A - 0 0 98 1,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.332 42.9-144.8 -63.2 149.8 -59.2 -7.7 9.8 284 508 A L - 0 0 144 2,-0.2 2,-0.6 -2,-0.0 -1,-0.0 -0.862 19.3 -89.0-116.4 149.6 -57.3 -11.0 9.3 285 509 A P 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.919 360.0 360.0 -84.5 125.8 -57.6 -14.7 10.2 286 510 A Q 0 0 222 -2,-0.6 -2,-0.2 0, 0.0 0, 0.0 0.107 360.0 360.0 -74.0 360.0 -56.3 -15.2 12.8