==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAY-11 2YIT . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.T.LOUNTOS,A.G.JOBSON,J.E.TROPEA,C.SELF,G.ZHANG,Y.POMMIER, . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 65.7 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 . 1 0.3 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 . 1 0.3 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 . 34 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 30.1 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 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 1 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 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 0 175 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.7 63.8 -24.6 -17.8 2 212 A Y - 0 0 60 1,-0.1 2,-0.0 2,-0.1 10,-0.0 -0.482 360.0 -94.2 -75.4 151.0 63.4 -21.1 -16.2 3 213 A P > - 0 0 30 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.357 29.8-118.4 -69.6 154.1 65.3 -18.3 -17.9 4 214 A K H > S+ 0 0 170 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.878 110.5 54.7 -57.3 -44.0 68.8 -17.4 -16.5 5 215 A A H > S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.820 111.5 44.7 -66.2 -31.8 67.8 -13.8 -15.5 6 216 A L H >> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 3,-1.6 0.956 112.2 50.2 -71.8 -54.0 64.9 -15.0 -13.4 7 217 A R H 3< S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.850 103.8 64.1 -51.3 -36.8 66.9 -17.8 -11.8 8 218 A D H 3< S+ 0 0 119 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.801 117.4 23.3 -54.7 -36.0 69.5 -15.2 -11.0 9 219 A E H << S+ 0 0 74 -3,-1.6 21,-2.6 -4,-0.6 22,-0.5 0.602 124.5 41.1-108.8 -18.8 67.1 -13.2 -8.7 10 220 A Y E < -A 29 0A 4 -4,-2.3 2,-0.5 19,-0.2 19,-0.2 -0.975 60.7-140.8-139.4 145.2 64.6 -15.8 -7.6 11 221 A I E -A 28 0A 86 17,-2.2 17,-2.0 -2,-0.3 2,-0.2 -0.943 32.5-135.0-102.9 123.4 64.4 -19.4 -6.5 12 222 A M E +A 27 0A 34 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.557 29.4 170.1 -87.1 140.2 61.3 -21.1 -7.9 13 223 A S E - 0 0 47 13,-2.9 -1,-0.1 1,-0.3 14,-0.0 -0.286 37.7 -21.8-124.9-147.6 59.0 -23.3 -5.8 14 224 A K E - 0 0 129 11,-0.1 12,-3.1 -2,-0.1 -1,-0.3 -0.054 61.4 -99.8 -73.1 161.6 55.6 -24.9 -6.1 15 225 A T E -A 25 0A 61 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.582 30.1-177.5 -73.6 135.0 52.6 -24.2 -8.4 16 226 A L E S- 0 0 80 8,-3.1 2,-0.3 1,-0.5 9,-0.2 0.665 70.8 -13.2-103.4 -33.3 49.9 -22.3 -6.6 17 227 A G E +A 24 0A 28 7,-1.6 7,-2.6 67,-0.1 -1,-0.5 -0.957 65.0 169.9-159.4 165.2 47.4 -22.2 -9.5 18 228 A S + 0 0 88 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.602 17.8 116.2-152.3-148.8 47.4 -23.0 -13.2 19 229 A G > + 0 0 57 -2,-0.2 3,-0.6 3,-0.1 2,-0.2 -0.834 60.2 31.4 114.3-145.3 45.0 -23.4 -16.1 20 230 A A T 3 S- 0 0 99 -2,-0.3 3,-0.0 1,-0.2 0, 0.0 -0.358 124.9 -22.4 -70.5 119.4 44.3 -21.7 -19.4 21 231 A C T 3 S+ 0 0 106 -2,-0.2 21,-2.2 1,-0.1 2,-0.3 0.256 126.2 27.7 72.0 -9.4 47.4 -20.0 -21.1 22 232 A G E < - B 0 41A 12 -3,-0.6 2,-0.3 19,-0.2 19,-0.2 -0.926 57.4-136.0-164.0-171.5 49.4 -19.7 -17.8 23 233 A E E - B 0 40A 64 17,-1.9 17,-3.8 -2,-0.3 2,-0.5 -0.978 14.8-137.8-156.3 148.6 50.4 -20.7 -14.4 24 234 A V E -AB 17 39A 40 -7,-2.6 -8,-3.1 -2,-0.3 -7,-1.6 -0.989 24.9-170.4-118.0 123.6 51.2 -19.0 -11.0 25 235 A K E -AB 15 38A 23 13,-2.8 13,-2.8 -2,-0.5 2,-0.3 -0.848 23.8-122.8-110.0 146.5 54.2 -20.2 -9.0 26 236 A L E + B 0 37A 16 -12,-3.1 -13,-2.9 -2,-0.3 2,-0.3 -0.648 41.2 171.4 -75.1 139.5 55.5 -19.5 -5.5 27 237 A A E -AB 12 36A 0 9,-2.3 9,-2.7 -2,-0.3 2,-0.4 -0.935 28.5-130.2-144.2 166.5 59.0 -18.1 -5.6 28 238 A F E -AB 11 35A 71 -17,-2.0 -17,-2.2 -2,-0.3 2,-0.5 -0.990 19.6-130.4-121.3 129.1 61.5 -16.6 -3.2 29 239 A E E >> -AB 10 34A 26 5,-2.8 4,-2.3 -2,-0.4 5,-0.6 -0.660 15.9-148.2 -76.2 124.8 63.4 -13.4 -3.9 30 240 A R T 45S+ 0 0 121 -21,-2.6 -1,-0.2 -2,-0.5 -20,-0.1 0.899 91.4 56.1 -63.0 -43.9 67.0 -14.1 -3.2 31 241 A K T 45S+ 0 0 187 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.872 126.6 18.5 -55.8 -41.2 67.9 -10.5 -2.0 32 242 A T T 45S- 0 0 69 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.556 92.3-131.5-108.4 -13.3 65.3 -10.5 0.8 33 243 A C T <5 + 0 0 106 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.778 62.6 136.5 58.7 29.1 64.5 -14.2 1.2 34 244 A K E < -B 29 0A 145 -5,-0.6 -5,-2.8 1,-0.0 -1,-0.2 -0.760 58.8 -99.6-108.9 157.6 60.8 -13.3 1.0 35 245 A K E +B 28 0A 100 -2,-0.3 45,-0.6 -7,-0.2 2,-0.3 -0.487 41.0 171.7 -75.4 136.7 57.9 -15.0 -0.8 36 246 A V E -BC 27 79A 1 -9,-2.7 -9,-2.3 -2,-0.2 2,-0.4 -0.879 29.2-122.3-130.5 166.9 56.7 -13.6 -4.1 37 247 A A E -BC 26 78A 7 41,-2.7 41,-2.7 -2,-0.3 2,-0.5 -0.916 20.2-158.2-105.7 140.8 54.2 -14.9 -6.7 38 248 A I E -BC 25 77A 0 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.5 -0.965 3.2-155.1-122.3 116.2 55.3 -15.4 -10.3 39 249 A K E -BC 24 76A 72 37,-3.0 37,-2.8 -2,-0.5 2,-0.6 -0.764 8.2-158.0 -89.6 125.2 52.7 -15.4 -13.1 40 250 A I E -BC 23 75A 12 -17,-3.8 -17,-1.9 -2,-0.5 2,-0.5 -0.925 9.7-175.3-105.9 120.6 53.8 -17.4 -16.2 41 251 A I E -BC 22 74A 34 33,-2.8 33,-2.9 -2,-0.6 -19,-0.2 -0.973 21.2-130.4-119.1 120.9 52.1 -16.5 -19.5 42 252 A S E C 0 73A 68 -21,-2.2 31,-0.1 -2,-0.5 30,-0.0 -0.330 360.0 360.0 -63.5 142.1 52.9 -18.5 -22.6 43 253 A K 0 0 144 29,-0.5 -1,-0.1 -2,-0.0 30,-0.1 0.867 360.0 360.0 -84.0 360.0 53.7 -16.8 -25.9 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 45 268 A L 0 0 114 0, 0.0 2,-0.2 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0 135.1 46.3 -6.5 -25.7 46 269 A N > - 0 0 81 1,-0.1 4,-1.8 0, 0.0 3,-0.2 -0.553 360.0-104.7 -95.0 171.7 49.7 -8.1 -25.3 47 270 A V H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.908 116.0 63.6 -63.2 -41.4 51.4 -8.6 -21.9 48 271 A E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 107.5 41.0 -48.3 -49.5 53.8 -5.7 -22.5 49 272 A T H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.861 110.9 56.2 -75.7 -34.2 51.0 -3.2 -22.6 50 273 A E H X S+ 0 0 21 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.936 109.5 49.0 -54.2 -45.1 49.2 -4.9 -19.7 51 274 A I H X S+ 0 0 16 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.939 109.2 51.3 -59.5 -48.6 52.5 -4.3 -17.8 52 275 A E H X S+ 0 0 110 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.914 110.0 49.8 -57.2 -46.8 52.6 -0.6 -18.9 53 276 A I H >X S+ 0 0 10 -4,-2.7 3,-0.9 1,-0.2 4,-0.7 0.957 112.5 46.5 -56.2 -50.1 49.0 -0.0 -17.7 54 277 A L H >< S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.825 105.0 59.0 -68.4 -29.5 49.7 -1.6 -14.3 55 278 A K H 3< S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 107.0 50.6 -67.7 -24.2 53.0 0.3 -13.7 56 279 A K H << S+ 0 0 162 -4,-1.0 2,-0.3 -3,-0.9 -1,-0.2 0.614 96.9 82.7 -85.5 -18.7 51.1 3.5 -14.0 57 280 A L << - 0 0 15 -4,-0.7 2,-0.3 -3,-0.6 58,-0.0 -0.633 52.3-175.0 -93.2 149.8 48.3 2.6 -11.5 58 281 A N + 0 0 114 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.728 28.8 126.6-147.8 91.6 48.6 3.0 -7.8 59 282 A H > - 0 0 29 3,-0.4 3,-1.5 -2,-0.3 -2,-0.0 -0.991 58.2-127.5-144.4 143.2 45.8 1.8 -5.6 60 283 A P T 3 S+ 0 0 43 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.732 109.4 53.2 -68.9 -17.6 46.0 -0.7 -2.7 61 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.4 81,-0.1 2,-0.4 0.144 98.4 75.1-102.1 19.8 43.2 -2.9 -4.2 62 285 A I B < S-e 143 0B 2 -3,-1.5 -3,-0.4 80,-0.3 82,-0.2 -0.999 88.3-108.3-129.2 131.8 45.0 -3.3 -7.6 63 286 A I - 0 0 10 80,-1.9 2,-0.3 -2,-0.4 -6,-0.1 -0.145 28.8-145.5 -59.0 150.8 48.1 -5.6 -8.1 64 287 A K - 0 0 92 -4,-0.1 2,-0.6 15,-0.1 15,-0.5 -0.864 12.7-122.8-116.7 150.0 51.5 -4.1 -8.6 65 288 A I + 0 0 12 -2,-0.3 13,-0.2 -11,-0.2 3,-0.1 -0.847 24.8 177.3 -95.0 124.2 54.3 -5.4 -10.8 66 289 A K - 0 0 81 11,-2.9 2,-0.3 -2,-0.6 12,-0.2 0.788 69.4 -11.9 -89.2 -37.1 57.6 -6.1 -9.0 67 290 A N E -D 77 0A 41 10,-1.6 10,-2.8 2,-0.0 -1,-0.4 -0.985 56.1-154.5-161.0 164.2 59.5 -7.5 -12.0 68 291 A F E -D 76 0A 54 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.996 1.7-167.5-149.3 132.3 59.0 -8.7 -15.5 69 292 A F E -D 75 0A 25 6,-2.9 6,-2.5 -2,-0.3 2,-0.9 -0.979 6.8-161.0-127.5 120.6 61.0 -11.1 -17.7 70 293 A D E +D 74 0A 72 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.828 44.3 125.2 -98.3 93.0 60.3 -11.4 -21.5 71 294 A A S S- 0 0 33 2,-2.4 3,-0.0 -2,-0.9 -2,-0.0 -0.033 84.0 -42.8-124.5-142.5 61.8 -14.7 -22.5 72 295 A E S S+ 0 0 175 -2,-0.1 -29,-0.5 -29,-0.0 2,-0.3 0.885 138.8 16.6 -61.5 -36.9 60.5 -17.9 -24.2 73 296 A D E S-C 42 0A 49 -31,-0.1 -2,-2.4 -30,-0.1 2,-0.5 -0.764 97.0-100.5-119.3 171.0 57.5 -17.2 -22.0 74 297 A Y E -CD 41 70A 31 -33,-2.9 -33,-2.8 -2,-0.3 2,-0.5 -0.855 33.1-167.1 -93.3 133.0 56.5 -14.1 -20.0 75 298 A Y E -CD 40 69A 13 -6,-2.5 -6,-2.9 -2,-0.5 2,-0.5 -0.989 3.1-172.0-123.1 119.9 57.3 -14.1 -16.3 76 299 A I E -CD 39 68A 12 -37,-2.8 -37,-3.0 -2,-0.5 2,-0.5 -0.965 8.8-153.6-119.1 121.4 55.7 -11.5 -14.1 77 300 A V E +CD 38 67A 0 -10,-2.8 -11,-2.9 -2,-0.5 -10,-1.6 -0.805 24.7 157.6 -94.9 129.0 56.7 -11.1 -10.5 78 301 A L E -C 37 0A 15 -41,-2.7 -41,-2.7 -2,-0.5 -13,-0.1 -0.919 48.8 -75.0-138.6 172.6 54.2 -9.6 -7.9 79 302 A E E -C 36 0A 104 -15,-0.5 2,-0.4 -2,-0.3 -43,-0.2 -0.375 58.4-105.8 -65.1 141.9 53.6 -9.6 -4.2 80 303 A L - 0 0 32 -45,-0.6 2,-0.9 -53,-0.1 -1,-0.1 -0.595 21.6-152.7 -73.7 127.1 52.1 -12.9 -3.0 81 304 A M > - 0 0 18 -2,-0.4 3,-1.8 1,-0.1 51,-0.2 -0.869 11.1-166.2 -98.3 100.3 48.4 -12.9 -2.1 82 305 A E T 3 S+ 0 0 101 51,-1.2 52,-0.2 -2,-0.9 51,-0.2 0.699 79.2 63.1 -71.1 -19.0 48.4 -15.7 0.4 83 306 A G T 3 S- 0 0 15 49,-1.9 -1,-0.3 1,-0.2 50,-0.2 0.619 92.5-153.9 -77.1 -15.0 44.6 -16.0 0.4 84 307 A G E < -F 132 0B 30 -3,-1.8 48,-3.0 48,-0.7 2,-0.2 -0.310 42.7 -11.1 73.7-157.3 44.5 -17.0 -3.3 85 308 A E E > -F 131 0B 71 46,-0.2 3,-1.0 1,-0.1 4,-0.4 -0.528 49.5-135.1 -83.9 139.9 41.5 -16.5 -5.6 86 309 A L T >> S+ 0 0 0 44,-3.0 3,-2.0 41,-0.7 4,-0.8 0.835 100.9 77.3 -55.9 -32.8 38.0 -15.4 -4.4 87 310 A F H >> S+ 0 0 68 40,-1.4 3,-1.5 43,-0.3 4,-1.3 0.877 87.5 55.7 -42.4 -48.3 36.7 -18.1 -6.7 88 311 A D H <4 S+ 0 0 94 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.688 103.4 56.1 -65.6 -19.4 37.7 -20.8 -4.2 89 312 A K H <4 S+ 0 0 73 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.630 115.9 34.3 -84.1 -16.4 35.5 -19.1 -1.5 90 313 A V H << S+ 0 0 10 -3,-1.5 3,-0.5 -4,-0.8 -2,-0.2 0.481 90.3 109.0-118.8 -5.3 32.3 -19.2 -3.6 91 314 A V S >< S+ 0 0 60 -4,-1.3 3,-1.1 1,-0.2 110,-0.0 -0.323 74.3 28.5 -72.1 151.4 32.6 -22.5 -5.5 92 315 A G T 3 S- 0 0 66 1,-0.2 -1,-0.2 -2,-0.0 3,-0.1 0.862 132.9 -63.6 68.0 37.4 30.4 -25.4 -4.7 93 316 A N T 3 S+ 0 0 130 -3,-0.5 -1,-0.2 107,-0.4 -2,-0.2 0.540 93.9 149.0 64.3 8.3 27.4 -23.3 -3.3 94 317 A K < - 0 0 111 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.2 -0.443 27.2-164.7 -65.5 142.7 29.6 -22.0 -0.5 95 318 A R - 0 0 79 -3,-0.1 2,-0.2 -2,-0.1 103,-0.1 -0.984 14.8-126.9-135.5 158.3 28.8 -18.5 0.6 96 319 A L - 0 0 24 101,-1.1 2,-0.1 -2,-0.4 104,-0.0 -0.514 38.7 -93.3 -90.1 154.6 30.4 -15.8 2.6 97 320 A K > - 0 0 116 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.391 38.6-114.8 -61.3 147.9 28.8 -14.0 5.5 98 321 A E H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 117.7 54.7 -54.4 -44.4 27.0 -10.8 4.4 99 322 A A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 108.0 48.9 -55.2 -42.8 29.5 -8.7 6.4 100 323 A T H > S+ 0 0 1 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.907 109.3 52.4 -66.5 -42.0 32.4 -10.4 4.6 101 324 A C H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.900 108.9 51.0 -56.5 -43.6 30.8 -9.7 1.2 102 325 A K H X S+ 0 0 26 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.936 109.6 49.3 -63.0 -45.9 30.4 -6.1 2.1 103 326 A L H X S+ 0 0 4 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.934 117.3 40.5 -56.9 -49.9 34.1 -5.8 3.1 104 327 A Y H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 115.6 50.4 -66.3 -43.4 35.2 -7.4 -0.2 105 328 A F H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.872 105.8 55.5 -67.6 -37.7 32.7 -5.6 -2.4 106 329 A Y H X S+ 0 0 28 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 109.4 48.4 -57.0 -43.7 33.6 -2.2 -1.0 107 330 A Q H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.907 110.1 50.5 -66.4 -41.3 37.2 -2.9 -2.0 108 331 A M H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.922 110.4 50.8 -60.8 -42.6 36.2 -4.0 -5.5 109 332 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.916 110.2 48.5 -62.5 -42.2 34.2 -0.8 -5.9 110 333 A L H X S+ 0 0 26 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.897 113.0 48.6 -65.2 -40.6 37.1 1.4 -4.8 111 334 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.920 115.3 42.7 -63.7 -47.2 39.4 -0.4 -7.2 112 335 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.900 111.7 54.3 -72.3 -40.2 37.1 -0.2 -10.2 113 336 A Q H X S+ 0 0 38 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.933 109.1 50.4 -53.2 -44.1 36.1 3.4 -9.4 114 337 A Y H X S+ 0 0 40 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.906 110.1 49.8 -63.0 -41.9 39.9 4.1 -9.4 115 338 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 3,-0.4 0.950 111.0 48.3 -58.2 -51.2 40.2 2.4 -12.8 116 339 A H H ><5S+ 0 0 11 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.881 108.8 53.1 -64.7 -38.1 37.4 4.3 -14.3 117 340 A E H 3<5S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.805 110.5 50.2 -59.6 -33.0 38.7 7.7 -13.1 118 341 A N T 3<5S- 0 0 76 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.198 122.8-104.8 -93.5 15.9 42.0 6.8 -14.7 119 342 A G T < 5S+ 0 0 18 -3,-1.5 33,-3.7 1,-0.2 2,-0.4 0.785 79.2 126.5 73.2 27.2 40.5 5.9 -18.1 120 343 A I E < -H 151 0C 10 -5,-2.4 2,-0.4 31,-0.2 -1,-0.2 -0.975 40.0-166.9-123.1 134.2 40.8 2.1 -17.7 121 344 A I E -H 150 0C 3 29,-2.2 29,-2.1 -2,-0.4 62,-0.1 -0.963 8.4-157.8-114.2 134.0 38.1 -0.5 -18.1 122 345 A H - 0 0 0 -2,-0.4 26,-0.2 27,-0.2 -1,-0.1 0.957 11.8-173.1 -77.9 -52.9 38.9 -4.0 -16.8 123 346 A R + 0 0 108 60,-0.1 -1,-0.1 26,-0.1 23,-0.1 0.318 68.6 65.0 73.6 -0.8 36.4 -6.0 -18.9 124 347 A D + 0 0 33 21,-0.1 2,-0.5 5,-0.1 5,-0.1 -0.141 60.7 157.2-139.9 43.5 37.0 -9.4 -17.2 125 348 A L + 0 0 11 3,-0.1 68,-0.1 18,-0.0 20,-0.1 -0.602 18.9 131.9 -73.6 121.7 35.9 -8.9 -13.6 126 349 A K S > S- 0 0 75 -2,-0.5 3,-1.6 66,-0.0 -40,-0.1 -0.950 71.2 -91.4-157.9 168.9 35.1 -12.3 -12.0 127 350 A P G > S+ 0 0 11 0, 0.0 -40,-1.4 0, 0.0 3,-1.3 0.814 121.9 62.2 -62.0 -25.0 35.9 -14.2 -8.8 128 351 A E G 3 S+ 0 0 61 1,-0.2 -3,-0.1 -42,-0.2 -40,-0.1 0.783 103.3 51.2 -65.3 -27.2 39.0 -15.8 -10.4 129 352 A N G < S+ 0 0 13 -3,-1.6 15,-2.5 -5,-0.1 2,-0.5 0.180 91.6 86.5-100.9 16.3 40.4 -12.3 -10.9 130 353 A V E < - G 0 143B 2 -3,-1.3 -44,-3.0 13,-0.2 -43,-0.3 -0.979 64.2-160.6-113.3 122.2 40.0 -11.2 -7.3 131 354 A L E -FG 85 142B 27 11,-3.4 11,-2.2 -2,-0.5 2,-0.4 -0.790 8.9-139.7-103.4 145.3 42.9 -12.1 -5.0 132 355 A L E -FG 84 141B 0 -48,-3.0 -49,-1.9 -2,-0.3 -48,-0.7 -0.899 6.9-144.4-105.8 133.6 42.8 -12.3 -1.2 133 356 A S S S+ 0 0 32 7,-3.2 -51,-1.2 -2,-0.4 2,-0.3 0.720 78.5 4.7 -72.1 -21.7 45.8 -11.0 0.8 134 357 A S S S- 0 0 33 6,-0.3 -51,-0.1 2,-0.3 5,-0.0 -0.936 74.4-103.4-152.8 175.3 45.5 -13.7 3.5 135 358 A Q S S+ 0 0 155 -2,-0.3 2,-0.1 3,-0.0 4,-0.1 0.485 88.4 98.7 -85.0 -2.4 43.6 -16.8 4.6 136 359 A E S S- 0 0 141 2,-0.2 -2,-0.3 1,-0.1 -3,-0.0 -0.452 81.2-124.7 -76.8 156.7 41.5 -14.9 7.2 137 360 A E S S+ 0 0 88 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.917 103.7 64.2 -63.2 -46.1 38.0 -13.8 6.3 138 361 A D S S+ 0 0 63 -35,-0.0 2,-0.3 -34,-0.0 -1,-0.2 -0.730 81.5 123.9 -83.1 97.7 38.8 -10.2 7.1 139 362 A C - 0 0 0 -2,-1.1 2,-0.2 -4,-0.1 136,-0.1 -0.953 61.8 -93.2-148.7 171.3 41.5 -9.4 4.5 140 363 A L - 0 0 5 -2,-0.3 -7,-3.2 135,-0.1 2,-0.3 -0.588 36.7-152.2 -84.2 149.1 42.4 -7.0 1.8 141 364 A I E - G 0 132B 0 -9,-0.2 2,-0.4 -2,-0.2 -9,-0.2 -0.884 6.8-162.4-117.5 155.1 41.6 -7.9 -1.8 142 365 A K E - G 0 131B 21 -11,-2.2 -11,-3.4 -2,-0.3 2,-0.4 -0.999 17.6-130.3-135.3 143.7 43.3 -7.0 -5.1 143 366 A I E +eG 62 130B 2 -82,-2.4 -80,-1.9 -2,-0.4 2,-0.2 -0.698 34.9 174.9 -87.8 137.2 42.0 -7.1 -8.6 144 367 A T + 0 0 26 -15,-2.5 -15,-0.0 -2,-0.4 -16,-0.0 -0.711 35.8 65.5-133.3-177.9 44.3 -8.8 -11.1 145 368 A D + 0 0 53 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.996 38.3 177.2 63.0 85.2 44.4 -10.0 -14.8 146 369 A F > + 0 0 0 1,-0.2 3,-1.6 2,-0.1 -1,-0.1 0.096 42.7 119.0-102.3 23.6 44.4 -6.9 -17.0 147 370 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.2 -23,-0.1 -97,-0.1 0.717 83.0 37.5 -62.5 -22.9 44.7 -9.0 -20.2 148 371 A H T 3 S+ 0 0 96 -3,-0.4 -1,-0.3 -26,-0.2 -2,-0.1 0.276 90.5 127.0-108.7 6.1 41.4 -7.7 -21.6 149 372 A S < - 0 0 2 -3,-1.6 2,-0.3 -25,-0.1 -27,-0.2 -0.225 42.0-156.7 -70.7 157.9 41.6 -4.2 -20.2 150 373 A K E -H 121 0C 126 -29,-2.1 -29,-2.2 -105,-0.0 2,-0.5 -0.990 12.6-130.7-135.3 144.1 41.1 -1.2 -22.5 151 374 A I E -H 120 0C 113 -2,-0.3 2,-0.2 -31,-0.2 -31,-0.2 -0.830 21.1-139.8 -94.8 126.0 42.3 2.4 -22.2 152 375 A L + 0 0 51 -33,-3.7 2,-0.3 -2,-0.5 3,-0.0 -0.608 41.6 131.7 -78.6 144.5 39.7 5.1 -22.7 153 376 A G - 0 0 52 -2,-0.2 2,-0.3 0, 0.0 -34,-0.0 -0.936 61.5 -26.6-166.9-170.1 40.7 8.2 -24.7 154 377 A E S S- 0 0 134 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.370 71.8-143.4 -54.7 115.2 39.7 10.5 -27.6 155 378 A T > - 0 0 57 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.187 21.6-113.3 -82.3 170.1 37.6 8.3 -29.8 156 379 A S H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 119.6 58.6 -63.2 -41.3 37.2 8.1 -33.5 157 380 A L H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 101.7 51.7 -54.4 -48.4 33.7 9.4 -32.9 158 381 A M H 4 S+ 0 0 105 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.893 112.2 46.9 -60.5 -38.7 34.9 12.6 -31.2 159 382 A R H >< S+ 0 0 123 -4,-1.4 3,-1.4 1,-0.2 4,-0.4 0.916 110.6 52.2 -69.2 -43.0 37.2 13.3 -34.2 160 383 A T H >< S+ 0 0 56 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.926 104.3 57.3 -57.3 -45.6 34.5 12.6 -36.7 161 384 A L T 3< S+ 0 0 79 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.485 91.1 71.4 -69.5 -3.2 32.1 15.0 -35.0 162 385 A C T < S+ 0 0 119 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.701 98.0 56.5 -83.4 -20.3 34.5 18.0 -35.3 163 386 A G S < S- 0 0 49 -3,-1.5 -3,-0.0 -4,-0.4 0, 0.0 -0.270 102.4 -84.8 -95.6-175.8 33.9 18.1 -39.0 164 387 A T - 0 0 121 -2,-0.1 3,-0.5 1,-0.1 -2,-0.1 -0.802 34.2-136.3 -92.2 134.5 30.7 18.5 -41.1 165 388 A P > + 0 0 66 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.062 59.2 132.6 -88.5 32.6 29.0 15.2 -41.7 166 389 A T T 3 S+ 0 0 101 1,-0.3 0, 0.0 -2,-0.0 0, 0.0 0.806 87.2 25.1 -44.0 -39.1 28.3 15.8 -45.3 167 390 A Y T 3 S+ 0 0 225 -3,-0.5 2,-0.3 2,-0.1 -1,-0.3 0.255 96.1 123.7-114.3 8.4 29.6 12.2 -46.1 168 391 A L < - 0 0 48 -3,-1.6 5,-0.0 1,-0.1 0, 0.0 -0.590 62.1-119.0 -86.9 133.9 29.0 10.6 -42.8 169 392 A A >> - 0 0 35 -2,-0.3 3,-1.2 1,-0.1 4,-1.0 -0.320 19.9-123.3 -71.6 144.2 27.0 7.4 -42.5 170 393 A P H 3> S+ 0 0 94 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.846 106.2 63.5 -59.9 -36.9 23.8 7.6 -40.3 171 394 A E H 3> S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.752 99.1 55.1 -61.1 -26.9 24.8 4.7 -38.0 172 395 A V H <> S+ 0 0 41 -3,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.927 109.5 46.7 -69.9 -44.7 27.8 6.7 -36.8 173 396 A L H >< S+ 0 0 80 -4,-1.0 3,-1.2 1,-0.2 4,-0.4 0.929 111.8 50.6 -62.4 -44.2 25.4 9.6 -35.8 174 397 A V H >< S+ 0 0 115 -4,-2.7 3,-1.6 1,-0.3 4,-0.5 0.859 101.1 62.8 -61.5 -35.4 23.0 7.2 -34.1 175 398 A S H 3X S+ 0 0 46 -4,-1.6 4,-1.3 1,-0.3 3,-0.4 0.695 85.3 77.2 -65.5 -17.8 26.0 5.7 -32.1 176 399 A V T << S+ 0 0 65 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.834 84.9 63.5 -57.7 -30.5 26.4 9.1 -30.5 177 400 A G T <4 S+ 0 0 45 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.907 116.3 25.6 -63.2 -39.4 23.4 8.3 -28.3 178 401 A T T >4 S+ 0 0 94 -4,-0.5 3,-0.7 -3,-0.4 -1,-0.2 0.468 92.4 118.3-106.6 -2.7 25.1 5.4 -26.5 179 402 A A T 3< + 0 0 50 -4,-1.3 -3,-0.0 1,-0.2 0, 0.0 -0.227 64.1 36.3 -66.6 157.1 28.9 6.1 -26.8 180 403 A G T 3 S+ 0 0 49 1,-0.0 -1,-0.2 3,-0.0 3,-0.2 0.572 85.9 98.7 83.7 11.6 31.1 6.6 -23.8 181 404 A Y X + 0 0 103 -3,-0.7 3,-1.5 1,-0.1 4,-0.3 0.074 38.4 116.2-114.6 20.3 29.4 4.0 -21.5 182 405 A N T > + 0 0 105 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.878 68.7 65.9 -54.4 -37.1 31.9 1.1 -22.1 183 406 A R T >> S+ 0 0 106 1,-0.3 3,-1.5 -3,-0.2 4,-0.9 0.745 81.8 76.8 -58.8 -26.3 32.8 1.3 -18.4 184 407 A A H <> S+ 0 0 7 -3,-1.5 4,-2.0 1,-0.3 -1,-0.3 0.745 79.0 71.7 -61.9 -19.3 29.3 0.1 -17.4 185 408 A V H <> S+ 0 0 69 -3,-1.8 4,-2.0 -4,-0.3 -1,-0.3 0.887 96.0 52.7 -62.5 -33.2 30.3 -3.4 -18.5 186 409 A D H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 0.883 106.4 52.6 -68.1 -36.1 32.5 -3.5 -15.3 187 410 A C H X S+ 0 0 3 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.880 107.6 51.1 -67.8 -37.1 29.5 -2.4 -13.2 188 411 A W H X S+ 0 0 38 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.947 110.1 49.2 -62.2 -50.3 27.4 -5.3 -14.6 189 412 A S H X S+ 0 0 27 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.885 108.2 53.6 -56.0 -44.3 30.2 -7.8 -13.7 190 413 A L H X S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.938 107.3 53.1 -54.2 -47.7 30.4 -6.4 -10.2 191 414 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.850 109.8 46.7 -54.6 -42.6 26.7 -7.0 -9.9 192 415 A V H X S+ 0 0 32 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.901 113.1 49.3 -67.1 -42.6 27.1 -10.6 -10.9 193 416 A I H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.920 111.0 49.5 -62.3 -42.9 30.0 -11.1 -8.5 194 417 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.921 109.8 51.9 -63.7 -41.7 28.1 -9.5 -5.6 195 418 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 6,-0.5 0.892 111.5 46.8 -59.3 -44.7 25.1 -11.8 -6.4 196 419 A I H X S+ 0 0 29 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 112.6 49.6 -65.7 -41.9 27.3 -14.9 -6.3 197 420 A C H < S+ 0 0 3 -4,-2.5 -101,-1.1 1,-0.2 -2,-0.2 0.944 115.9 41.4 -64.8 -46.8 29.0 -13.8 -3.1 198 421 A L H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.796 129.1 26.4 -67.7 -32.2 25.7 -13.1 -1.2 199 422 A S H < S- 0 0 5 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.572 91.9-127.7-115.3 -18.5 23.8 -16.1 -2.5 200 423 A G S < S+ 0 0 5 -4,-2.2 -107,-0.4 -5,-0.2 -4,-0.2 0.439 81.3 78.8 76.2 1.9 26.4 -18.8 -3.3 201 424 A Y S S- 0 0 20 -6,-0.5 -2,-0.2 -108,-0.1 -1,-0.2 -0.960 83.8 -99.0-142.2 156.5 24.9 -19.3 -6.8 202 425 A P - 0 0 55 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.563 18.8-142.1 -80.6 137.0 25.0 -17.6 -10.3 203 426 A P S S+ 0 0 2 0, 0.0 20,-2.7 0, 0.0 2,-0.5 0.862 92.3 35.9 -63.3 -38.5 22.2 -15.2 -11.4 204 427 A F S S+ 0 0 23 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.978 77.9 128.8-121.2 122.9 22.3 -16.4 -15.0 205 428 A S - 0 0 30 -2,-0.5 11,-0.0 2,-0.1 18,-0.0 -0.958 61.7-114.6-162.9 163.0 23.1 -20.1 -15.9 206 429 A E S > S+ 0 0 139 -2,-0.3 3,-0.7 4,-0.1 2,-0.5 0.263 70.6 128.6 -88.5 13.9 21.7 -22.9 -18.0 207 430 A H T 3 S- 0 0 126 1,-0.3 -2,-0.1 3,-0.0 3,-0.1 -0.578 85.3 -19.5 -77.2 118.6 21.0 -25.0 -14.8 208 431 A R T 3 S+ 0 0 226 -2,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.920 112.1 104.0 48.7 55.6 17.4 -26.4 -14.8 209 432 A T < - 0 0 67 -3,-0.7 -1,-0.2 1,-0.0 0, 0.0 -0.969 60.7-150.7-155.8 153.0 15.9 -23.9 -17.3 210 433 A Q S S+ 0 0 204 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.1 0.405 72.4 101.4 -99.4 -4.2 14.8 -23.8 -20.9 211 434 A V S S- 0 0 57 1,-0.1 5,-0.0 2,-0.0 -2,-0.0 -0.720 80.8-117.5 -83.1 125.9 15.6 -20.1 -21.3 212 435 A S > - 0 0 46 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.228 19.7-116.6 -56.8 150.0 18.9 -19.7 -23.1 213 436 A L H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 116.7 55.1 -55.0 -41.2 21.7 -18.0 -21.1 214 437 A K H > S+ 0 0 146 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 108.1 46.1 -59.4 -45.3 21.7 -15.2 -23.7 215 438 A D H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 6,-0.3 0.867 109.9 55.3 -68.1 -36.5 18.0 -14.5 -23.2 216 439 A Q H X>S+ 0 0 8 -4,-2.4 5,-1.2 1,-0.2 4,-0.8 0.930 113.2 42.2 -58.2 -45.9 18.3 -14.6 -19.4 217 440 A I H <5S+ 0 0 67 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.931 114.1 47.2 -72.6 -49.6 21.0 -11.9 -19.6 218 441 A T H <5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 116.0 46.1 -68.4 -24.0 19.5 -9.6 -22.2 219 442 A S H <5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.646 105.0-132.4 -85.9 -18.0 16.1 -9.6 -20.5 220 443 A G T <5 + 0 0 14 -4,-0.8 2,-1.4 -3,-0.4 -3,-0.2 0.649 54.5 147.9 75.6 15.9 17.8 -9.1 -17.1 221 444 A K < - 0 0 158 -5,-1.2 -1,-0.2 -6,-0.3 2,-0.1 -0.643 27.5-170.4 -90.8 86.3 15.8 -11.9 -15.6 222 445 A Y - 0 0 55 -2,-1.4 2,-0.9 -3,-0.1 -18,-0.2 -0.393 34.1 -99.7 -69.8 151.6 18.1 -13.4 -12.9 223 446 A N - 0 0 57 -20,-2.7 2,-0.6 -21,-0.1 -1,-0.1 -0.651 41.8-165.1 -74.6 104.1 17.2 -16.6 -11.2 224 447 A F - 0 0 83 -2,-0.9 -1,-0.0 4,-0.0 -3,-0.0 -0.860 9.3-174.0 -96.9 115.8 15.8 -15.5 -7.8 225 448 A I >> - 0 0 46 -2,-0.6 4,-1.7 1,-0.1 3,-0.9 -0.875 10.9-158.4-111.0 98.3 15.5 -18.3 -5.2 226 449 A P H 3> S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.790 85.8 54.8 -48.2 -40.2 13.7 -16.8 -2.1 227 450 A E H 34 S+ 0 0 133 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.877 108.6 47.8 -70.0 -37.2 14.9 -19.3 0.5 228 451 A V H X4 S+ 0 0 34 -3,-0.9 3,-0.6 1,-0.2 4,-0.2 0.935 118.0 42.8 -63.9 -42.7 18.6 -18.7 -0.3 229 452 A W H >< S+ 0 0 9 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.611 89.3 86.4 -81.0 -14.2 18.0 -14.9 -0.2 230 453 A A T 3< S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.841 91.6 49.4 -57.4 -33.7 15.8 -14.8 3.0 231 454 A E T < S+ 0 0 134 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.3 0.690 98.7 83.5 -77.0 -21.7 18.9 -14.7 5.2 232 455 A V S < S- 0 0 18 -3,-1.0 -135,-0.0 -4,-0.2 -33,-0.0 -0.635 88.6-106.3 -84.1 142.2 20.4 -11.8 3.1 233 456 A S > - 0 0 41 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 -0.161 16.5-124.4 -63.6 158.6 19.4 -8.2 3.8 234 457 A E H > S+ 0 0 179 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.794 111.0 57.9 -71.1 -32.2 17.0 -6.2 1.5 235 458 A K H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.913 105.0 50.5 -65.0 -43.1 19.7 -3.4 1.2 236 459 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.917 113.7 44.5 -58.3 -46.8 22.2 -5.9 -0.2 237 460 A L H X S+ 0 0 26 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.848 106.4 60.0 -70.2 -35.6 19.7 -7.2 -2.7 238 461 A D H X S+ 0 0 56 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.900 106.5 48.3 -57.3 -39.7 18.6 -3.7 -3.6 239 462 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 3,-0.5 0.944 108.0 53.7 -67.2 -47.4 22.2 -2.9 -4.7 240 463 A V H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.7 0.915 108.4 51.5 -49.0 -45.8 22.4 -6.1 -6.8 241 464 A K H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 107.4 51.0 -67.6 -31.2 19.2 -5.0 -8.6 242 465 A K H 3< S+ 0 0 71 -4,-1.4 10,-2.1 -3,-0.5 3,-0.3 0.701 112.9 46.7 -78.6 -19.3 20.7 -1.5 -9.4 243 466 A L H << S+ 0 0 0 -4,-1.5 2,-0.2 -3,-0.7 -2,-0.2 0.776 104.6 60.2 -88.6 -30.3 23.8 -3.1 -10.9 244 467 A L S < S+ 0 0 9 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 -0.093 73.9 137.1 -92.5 40.5 22.0 -5.7 -12.9 245 468 A V - 0 0 42 -3,-0.3 6,-0.1 -2,-0.2 -25,-0.1 -0.706 49.9-146.5 -85.9 134.7 20.1 -3.1 -14.9 246 469 A V S S+ 0 0 64 -2,-0.4 -1,-0.1 -27,-0.1 -26,-0.1 0.867 80.9 78.2 -74.6 -37.2 20.0 -3.9 -18.6 247 470 A D S >> S- 0 0 87 1,-0.2 4,-2.2 2,-0.1 3,-0.8 -0.638 72.6-152.6 -73.4 112.2 20.2 -0.3 -19.9 248 471 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.765 94.6 54.0 -59.2 -26.4 23.9 0.6 -19.6 249 472 A K T 34 S+ 0 0 102 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.785 112.2 42.4 -77.8 -29.4 22.9 4.3 -19.2 250 473 A A T <4 S+ 0 0 60 -3,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.745 92.3 109.7 -85.3 -24.6 20.5 3.6 -16.3 251 474 A R S < S- 0 0 25 -4,-2.2 -8,-0.2 -6,-0.1 2,-0.1 -0.155 81.1 -98.5 -50.3 139.9 22.9 1.1 -14.6 252 475 A F - 0 0 42 -10,-2.1 2,-0.1 -13,-0.1 -1,-0.1 -0.378 35.0-142.1 -58.3 135.1 24.5 2.2 -11.3 253 476 A T > - 0 0 53 -2,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.411 32.9 -97.5 -87.3 172.9 28.1 3.5 -11.7 254 477 A T H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 125.9 53.6 -60.7 -38.1 30.7 2.8 -9.1 255 478 A E H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.896 107.8 48.0 -62.3 -46.9 30.0 6.1 -7.4 256 479 A E H >4 S+ 0 0 69 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.943 112.9 50.3 -59.0 -43.9 26.3 5.5 -7.1 257 480 A A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.877 106.5 53.5 -61.1 -41.8 27.1 2.0 -5.6 258 481 A L H 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.719 111.1 48.1 -68.6 -20.8 29.5 3.5 -3.1 259 482 A R T << S+ 0 0 169 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.418 85.5 116.1 -95.9 -2.1 26.7 5.9 -1.9 260 483 A H S X S- 0 0 6 -3,-1.1 3,-2.0 -4,-0.4 4,-0.5 -0.424 79.3-114.8 -65.6 141.9 24.1 3.1 -1.7 261 484 A P G > S+ 0 0 69 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.814 112.2 66.0 -49.0 -33.2 22.8 2.5 1.9 262 485 A W G 3 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.839 104.3 45.6 -57.8 -31.5 24.3 -1.0 2.0 263 486 A L G < S+ 0 0 0 -3,-2.0 2,-1.5 -6,-0.3 -1,-0.3 0.427 83.7 94.6 -97.4 1.9 27.8 0.5 1.9 264 487 A Q < + 0 0 107 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.1 -0.644 54.5 131.8 -87.3 75.1 27.2 3.2 4.5 265 488 A D > - 0 0 42 -2,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.885 40.2-170.0-137.8 95.3 28.6 0.9 7.2 266 489 A E H > S+ 0 0 130 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.803 87.4 56.7 -63.7 -30.0 31.2 2.6 9.5 267 490 A D H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.966 108.6 46.8 -61.9 -54.1 32.2 -0.8 11.1 268 491 A M H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.940 113.2 49.5 -52.1 -50.0 33.0 -2.2 7.7 269 492 A K H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.877 109.6 50.5 -60.1 -41.5 35.0 1.0 6.7 270 493 A R H X S+ 0 0 139 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.909 109.0 52.3 -61.7 -45.0 37.0 0.9 10.0 271 494 A K H X S+ 0 0 90 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.904 110.6 48.5 -56.1 -44.1 37.9 -2.7 9.4 272 495 A F H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.962 111.9 47.2 -62.6 -53.2 39.1 -1.8 5.9 273 496 A Q H X S+ 0 0 103 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.892 111.4 52.8 -55.2 -42.0 41.2 1.1 7.2 274 497 A D H X S+ 0 0 90 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.898 108.7 49.3 -59.8 -44.3 42.7 -1.1 10.0 275 498 A L H X S+ 0 0 13 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.841 109.9 53.2 -65.4 -34.0 43.7 -3.8 7.4 276 499 A L H X S+ 0 0 22 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.954 110.7 43.5 -64.1 -53.3 45.4 -1.1 5.3 277 500 A S H < S+ 0 0 78 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.922 112.1 54.5 -63.9 -42.1 47.5 0.4 8.0 278 501 A E H < S+ 0 0 144 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.920 109.4 48.8 -52.7 -46.1 48.4 -3.1 9.2 279 502 A E H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.840 97.4 90.5 -61.8 -33.5 49.6 -4.0 5.6 280 503 A N < - 0 0 80 -4,-1.6 2,-0.5 -3,-0.3 -4,-0.0 -0.433 54.9-163.3 -87.5 140.5 51.8 -0.8 5.3 281 504 A E - 0 0 170 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.1 -0.726 26.2-172.1-120.6 80.3 55.6 -0.3 6.2 282 505 A S - 0 0 97 -2,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.218 22.2-123.2 -86.5 156.3 56.1 3.3 6.4 283 506 A T - 0 0 122 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.370 51.7 -76.0 -79.9 167.1 59.2 5.5 6.8 284 507 A A - 0 0 102 -2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.258 51.5-145.2 -60.6 158.7 59.4 7.9 9.7 285 508 A L - 0 0 139 -3,-0.1 2,-0.5 2,-0.1 -1,-0.0 -0.982 14.8-117.3-129.0 140.5 57.3 11.2 9.3 286 509 A P 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.718 360.0 360.0 -74.2 126.1 57.9 14.8 10.4 287 510 A Q 0 0 237 -2,-0.5 -2,-0.1 0, 0.0 0, 0.0 -0.006 360.0 360.0 38.6 360.0 55.1 15.6 12.8