==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-10 3Q53 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,J.-W.WU,Z.-X.WANG . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 14.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.8 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 0 0 1 0 0 3 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 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 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 1 250 A D > 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -24.9 -36.0 -40.9 13.1 2 251 A E H > + 0 0 170 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.911 360.0 47.4 -60.5 -40.6 -36.8 -43.5 10.5 3 252 A E H > S+ 0 0 162 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 112.1 47.5 -65.2 -47.2 -36.7 -40.6 8.1 4 253 A I H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 111.8 49.7 -63.7 -42.8 -33.5 -39.2 9.4 5 254 A L H X S+ 0 0 59 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.843 111.1 50.3 -65.5 -34.4 -31.8 -42.6 9.3 6 255 A E H X S+ 0 0 100 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.909 108.8 51.3 -71.8 -41.2 -33.0 -43.1 5.8 7 256 A K H X S+ 0 0 103 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.921 110.5 49.7 -57.6 -45.5 -31.6 -39.7 4.8 8 257 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.877 105.6 57.8 -59.8 -39.1 -28.3 -40.7 6.3 9 258 A R H < S+ 0 0 153 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 105.0 50.1 -61.4 -34.6 -28.4 -44.0 4.4 10 259 A S H < S+ 0 0 98 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.786 113.0 47.4 -75.5 -26.6 -28.6 -42.0 1.1 11 260 A I H < S+ 0 0 24 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.897 100.3 73.8 -80.6 -45.5 -25.6 -39.8 2.0 12 261 A V S < S- 0 0 16 -4,-2.4 73,-0.2 1,-0.1 2,-0.1 -0.220 86.4-103.4 -73.1 160.0 -23.1 -42.5 3.3 13 262 A S B -a 85 0A 44 71,-2.5 73,-0.6 1,-0.1 2,-0.1 -0.430 47.8-101.3 -68.2 155.2 -21.1 -45.0 1.2 14 263 A V S S+ 0 0 132 71,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.447 72.8 14.2 -83.5 154.5 -22.4 -48.5 1.3 15 264 A G S S- 0 0 42 71,-0.2 71,-0.3 -2,-0.1 -2,-0.0 -0.264 94.8 -36.8 90.4-167.9 -21.1 -51.4 3.4 16 265 A D > - 0 0 49 1,-0.1 3,-0.9 69,-0.1 4,-0.4 -0.859 32.7-161.0-104.3 120.9 -18.8 -51.9 6.4 17 266 A P G >> S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 3,-0.7 0.622 77.6 90.8 -71.1 -12.5 -15.7 -49.7 6.7 18 267 A K G 34 S+ 0 0 128 1,-0.3 3,-0.3 2,-0.2 -3,-0.0 0.805 87.7 47.8 -56.2 -32.3 -14.2 -52.3 9.1 19 268 A K G <4 S+ 0 0 147 -3,-0.9 -1,-0.3 1,-0.2 22,-0.0 0.857 109.7 54.6 -69.9 -36.3 -12.6 -54.0 6.2 20 269 A K T <4 S+ 0 0 81 -3,-0.7 21,-2.5 -4,-0.4 22,-0.4 0.529 105.0 49.1 -86.1 -10.2 -11.2 -50.8 4.8 21 270 A Y E < -B 40 0A 11 -4,-0.9 2,-0.3 -3,-0.3 19,-0.2 -0.972 62.0-170.4-135.8 147.5 -9.3 -49.4 7.7 22 271 A T E +B 39 0A 70 17,-1.9 17,-2.5 -2,-0.3 -3,-0.0 -0.870 53.6 30.3-135.2 164.4 -6.7 -50.9 10.1 23 272 A R E - 0 0 201 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.950 68.9-157.4 54.5 62.8 -4.8 -50.2 13.4 24 273 A F E - 0 0 71 -3,-0.1 2,-0.5 14,-0.1 14,-0.2 -0.521 10.7-170.9 -71.8 129.8 -7.3 -48.1 15.2 25 274 A E E -B 37 0A 104 12,-2.6 12,-3.0 -2,-0.3 2,-0.2 -0.966 21.3-130.4-124.9 117.2 -6.0 -45.8 17.9 26 275 A K E +B 36 0A 102 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.424 35.2 162.2 -64.0 126.6 -8.4 -44.0 20.2 27 276 A I E + 0 0 95 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.390 68.0 16.7-125.3 -2.8 -7.5 -40.3 20.4 28 277 A G E +B 35 0A 30 7,-1.3 7,-1.5 1,-0.0 -1,-0.4 -0.961 47.7 173.2-164.2 155.1 -10.8 -39.0 21.8 29 278 A Q + 0 0 139 -2,-0.3 2,-0.5 5,-0.2 4,-0.1 0.356 41.2 116.3-148.6 5.0 -13.9 -40.5 23.5 30 279 A G S S- 0 0 50 2,-0.1 2,-3.2 1,-0.1 -1,-0.0 -0.754 79.3 -55.1-107.9 127.9 -16.3 -37.7 24.6 31 280 A A S S+ 0 0 105 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 -0.179 123.9 59.6 67.9 -62.4 -19.8 -36.5 23.8 32 281 A S S S- 0 0 63 -2,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.278 121.4 -90.9 -83.2 11.7 -19.5 -36.1 20.0 33 282 A G - 0 0 16 -4,-0.1 2,-0.4 19,-0.1 -1,-0.3 -0.588 57.8 -49.6 107.8-175.4 -18.6 -39.7 19.7 34 283 A T E - C 0 51A 27 17,-2.6 17,-3.8 -2,-0.2 2,-0.5 -0.845 47.8-153.9 -99.6 135.8 -15.3 -41.7 19.7 35 284 A V E -BC 28 50A 24 -7,-1.5 -8,-2.9 -2,-0.4 -7,-1.3 -0.942 14.4-177.1-112.4 128.9 -12.4 -40.5 17.5 36 285 A Y E -BC 26 49A 46 13,-3.4 13,-3.0 -2,-0.5 2,-0.3 -0.900 25.0-134.3-118.6 149.5 -9.8 -42.9 16.3 37 286 A T E +BC 25 48A 5 -12,-3.0 -12,-2.6 -2,-0.3 2,-0.3 -0.762 42.0 160.6 -85.8 146.4 -6.6 -42.6 14.2 38 287 A A E - C 0 47A 2 9,-2.4 9,-3.5 -2,-0.3 2,-0.5 -0.986 36.9-109.5-160.9 167.5 -6.5 -45.4 11.6 39 288 A M E -BC 22 46A 93 -17,-2.5 -17,-1.9 -2,-0.3 2,-0.5 -0.913 25.4-125.3-110.9 126.5 -4.9 -46.4 8.3 40 289 A D E > -B 21 0A 27 5,-3.1 4,-2.1 -2,-0.5 -19,-0.2 -0.537 22.8-146.5 -62.9 115.2 -6.6 -46.6 4.9 41 290 A V T 4 S+ 0 0 77 -21,-2.5 -1,-0.2 -2,-0.5 -20,-0.1 0.843 91.3 39.0 -57.2 -36.2 -5.8 -50.2 4.0 42 291 A A T 4 S+ 0 0 87 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.980 125.6 28.1 -77.6 -62.5 -5.7 -49.3 0.3 43 292 A T T 4 S- 0 0 93 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.679 90.4-129.9 -80.8 -21.4 -4.0 -45.9 0.0 44 293 A G < + 0 0 40 -4,-2.1 -3,-0.1 1,-0.3 -1,-0.1 0.263 58.3 147.0 82.8 -12.1 -1.8 -46.0 3.1 45 294 A Q - 0 0 81 -6,-0.1 -5,-3.1 1,-0.1 2,-0.4 -0.317 49.8-127.8 -56.0 133.0 -3.3 -42.6 3.9 46 295 A E E -C 39 0A 93 -7,-0.2 51,-1.3 51,-0.1 2,-0.3 -0.733 36.1-175.3 -83.6 134.9 -3.6 -42.1 7.7 47 296 A V E -CD 38 96A 0 -9,-3.5 -9,-2.4 -2,-0.4 2,-0.5 -0.818 27.8-129.2-128.8 164.9 -7.1 -41.0 8.7 48 297 A A E -CD 37 95A 14 47,-2.7 47,-3.5 -2,-0.3 2,-0.5 -0.982 25.4-166.9-115.9 127.8 -9.2 -39.9 11.6 49 298 A I E -CD 36 94A 0 -13,-3.0 -13,-3.4 -2,-0.5 2,-0.5 -0.954 7.3-159.1-120.5 122.6 -12.5 -41.7 12.1 50 299 A R E -CD 35 93A 67 43,-2.4 43,-2.3 -2,-0.5 2,-0.5 -0.881 10.2-159.3 -97.5 131.4 -15.2 -40.5 14.4 51 300 A Q E -CD 34 92A 27 -17,-3.8 -17,-2.6 -2,-0.5 2,-0.4 -0.954 9.2-173.3-113.3 130.2 -17.7 -43.1 15.5 52 301 A M E - D 0 91A 5 39,-2.7 39,-2.6 -2,-0.5 2,-0.8 -0.977 24.5-141.5-124.9 132.3 -21.1 -42.2 16.8 53 302 A N E >> - D 0 90A 47 -2,-0.4 3,-1.2 37,-0.2 4,-0.8 -0.809 21.2-156.8 -82.3 110.5 -23.9 -44.3 18.3 54 303 A L G >4 S+ 0 0 0 35,-2.8 3,-0.6 -2,-0.8 -1,-0.2 0.822 85.9 59.8 -66.1 -33.5 -26.9 -42.6 16.7 55 304 A Q G 34 S+ 0 0 153 1,-0.3 -1,-0.3 34,-0.2 35,-0.1 0.699 108.0 49.2 -70.4 -14.3 -29.5 -43.6 19.3 56 305 A Q G <4 S+ 0 0 143 -3,-1.2 -1,-0.3 0, 0.0 -2,-0.2 0.675 90.1 98.3 -89.2 -22.2 -27.4 -41.8 21.8 57 306 A Q << - 0 0 33 -4,-0.8 3,-0.4 -3,-0.6 -25,-0.1 -0.569 60.0-159.6 -77.5 119.3 -27.2 -38.7 19.6 58 307 A P S S+ 0 0 124 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.887 82.3 30.1 -64.5 -45.2 -29.7 -36.1 20.7 59 308 A K >> + 0 0 96 1,-0.1 3,-1.1 2,-0.0 4,-0.8 -0.763 60.9 171.1-125.3 85.8 -29.9 -34.1 17.4 60 309 A K H >> S+ 0 0 20 -2,-0.5 4,-2.1 -3,-0.4 3,-0.6 0.818 74.0 67.7 -64.1 -33.4 -29.2 -36.2 14.3 61 310 A E H 3> S+ 0 0 100 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.774 95.9 56.7 -60.1 -27.0 -30.2 -33.4 11.8 62 311 A L H <> S+ 0 0 73 -3,-1.1 4,-2.6 2,-0.2 -1,-0.3 0.869 105.8 49.7 -71.6 -36.6 -27.1 -31.5 12.9 63 312 A I H < S+ 0 0 8 -4,-2.2 3,-0.8 -5,-0.2 11,-0.2 0.927 110.2 53.9 -65.6 -42.2 -18.3 -30.6 4.5 71 320 A R H 3< S+ 0 0 102 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.871 117.5 35.0 -58.8 -39.8 -19.0 -32.6 1.4 72 321 A E H 3< S+ 0 0 128 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.323 112.0 58.8-106.6 8.7 -19.9 -29.5 -0.7 73 322 A N << + 0 0 16 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 -0.221 67.2 166.3-130.1 48.6 -17.5 -26.9 0.8 74 323 A K + 0 0 95 -3,-0.4 5,-0.1 2,-0.0 6,-0.1 -0.363 8.1 158.5 -64.7 141.1 -14.1 -28.5 0.2 75 324 A N > - 0 0 38 3,-0.4 3,-2.2 -2,-0.1 -2,-0.1 -0.961 52.9-115.1-165.8 141.7 -11.2 -26.1 0.7 76 325 A P T 3 S+ 0 0 102 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.721 117.4 51.8 -56.9 -22.4 -7.4 -26.3 1.4 77 326 A N T 3 S+ 0 0 10 78,-0.1 79,-3.0 2,-0.1 2,-0.4 0.138 97.8 77.8-101.9 21.5 -8.0 -24.6 4.8 78 327 A I B < S-f 156 0B 11 -3,-2.2 -3,-0.4 77,-0.3 79,-0.2 -0.997 94.1-103.4-128.0 129.0 -10.8 -27.0 5.9 79 328 A V - 0 0 6 77,-2.4 2,-0.4 -2,-0.4 -2,-0.1 -0.262 48.5-109.0 -52.0 129.1 -10.1 -30.4 7.2 80 329 A N - 0 0 50 -4,-0.1 16,-2.5 -6,-0.1 2,-0.6 -0.506 20.7-146.6 -73.1 120.7 -10.9 -32.8 4.4 81 330 A Y E + E 0 95A 14 -2,-0.4 14,-0.2 -11,-0.2 3,-0.1 -0.781 21.9 177.6 -78.7 118.2 -14.0 -35.0 4.8 82 331 A L E - 0 0 54 12,-2.7 2,-0.3 -2,-0.6 13,-0.2 0.877 49.7 -38.3 -93.7 -42.8 -13.2 -38.2 3.0 83 332 A D E - E 0 94A 45 11,-1.6 11,-3.2 2,-0.0 -1,-0.3 -0.981 44.6-140.1-173.6 166.4 -16.1 -40.5 3.5 84 333 A S E - E 0 93A 0 -2,-0.3 -71,-2.5 9,-0.2 2,-0.3 -0.987 10.9-168.0-145.9 155.9 -18.9 -41.8 5.8 85 334 A Y E -aE 13 92A 11 7,-2.2 7,-3.3 -2,-0.3 2,-0.4 -0.972 10.5-152.9-141.2 150.6 -20.5 -45.1 6.6 86 335 A L E + E 0 91A 37 -73,-0.6 2,-0.6 -71,-0.3 5,-0.2 -0.940 12.2 178.7-131.4 113.2 -23.6 -46.3 8.5 87 336 A V E > - E 0 90A 49 3,-2.9 3,-2.9 -2,-0.4 2,-0.2 -0.923 66.3 -62.5-115.7 103.8 -23.6 -49.7 10.1 88 337 A G T 3 S- 0 0 67 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.409 122.3 -13.7 51.8-117.3 -26.8 -50.3 11.9 89 338 A D T 3 S+ 0 0 47 -2,-0.2 -35,-2.8 -3,-0.1 2,-0.8 0.412 118.4 99.0 -89.1 -0.3 -26.8 -47.6 14.5 90 339 A E E < -DE 53 87A 72 -3,-2.9 -3,-2.9 -37,-0.2 2,-0.5 -0.801 54.4-165.9-102.4 108.5 -23.1 -46.8 14.1 91 340 A L E -DE 52 86A 0 -39,-2.6 -39,-2.7 -2,-0.8 2,-0.4 -0.789 3.4-163.3 -91.1 129.6 -22.2 -43.8 12.0 92 341 A W E -DE 51 85A 1 -7,-3.3 -7,-2.2 -2,-0.5 2,-0.5 -0.942 5.2-170.9-110.2 132.8 -18.6 -43.5 10.9 93 342 A V E -DE 50 84A 8 -43,-2.3 -43,-2.4 -2,-0.4 2,-0.5 -0.976 11.3-155.8-123.3 117.1 -17.3 -40.1 9.6 94 343 A V E +DE 49 83A 0 -11,-3.2 -12,-2.7 -2,-0.5 -11,-1.6 -0.826 16.0 175.2-101.5 123.4 -13.8 -40.4 8.0 95 344 A M E -DE 48 81A 24 -47,-3.5 -47,-2.7 -2,-0.5 -14,-0.2 -0.796 39.5 -94.3-116.5 159.5 -11.6 -37.3 7.9 96 345 A E E -D 47 0A 30 -16,-2.5 2,-0.5 -2,-0.3 -49,-0.2 -0.467 47.8-116.2 -66.4 148.0 -8.0 -36.7 6.8 97 346 A Y - 0 0 70 -51,-1.3 2,-0.7 -2,-0.1 -51,-0.1 -0.780 18.7-155.0 -93.7 126.5 -5.7 -36.9 9.8 98 347 A L > - 0 0 18 -2,-0.5 3,-0.9 1,-0.1 50,-0.2 -0.904 5.1-167.6 -99.7 111.5 -3.8 -33.8 10.8 99 348 A A T 3 S+ 0 0 27 -2,-0.7 50,-0.2 1,-0.2 -1,-0.1 0.437 72.5 78.0 -81.7 1.6 -0.6 -35.0 12.6 100 349 A G T 3 S- 0 0 4 48,-2.3 -1,-0.2 1,-0.3 49,-0.2 0.329 90.1-135.0 -94.0 7.5 0.3 -31.6 14.0 101 350 A G < - 0 0 28 -3,-0.9 47,-2.9 47,-0.3 -1,-0.3 -0.318 42.1 -47.1 69.2-157.4 -2.2 -31.5 16.8 102 351 A S B >> -G 147 0B 16 45,-0.2 4,-1.6 1,-0.1 3,-0.5 -0.709 40.7-113.1-112.3 163.6 -4.3 -28.3 17.4 103 352 A L H 3> S+ 0 0 1 43,-2.6 4,-3.2 40,-0.8 5,-0.3 0.870 117.2 63.2 -57.4 -37.9 -3.6 -24.6 17.6 104 353 A T H 3> S+ 0 0 27 39,-0.9 4,-1.8 42,-0.3 -1,-0.2 0.905 100.4 51.7 -54.5 -42.5 -4.5 -24.8 21.3 105 354 A D H <> S+ 0 0 40 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.941 113.2 45.6 -58.0 -47.5 -1.6 -27.2 21.9 106 355 A V H X S+ 0 0 6 -4,-1.6 4,-2.4 1,-0.2 3,-0.3 0.937 113.8 45.7 -61.6 -51.0 0.7 -24.6 20.2 107 356 A V H < S+ 0 0 7 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 116.7 45.7 -72.0 -21.8 -0.6 -21.5 22.0 108 357 A T H < S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.729 123.8 31.7 -87.9 -21.6 -0.5 -23.2 25.4 109 358 A E H < S+ 0 0 94 -4,-1.5 2,-0.2 -3,-0.3 -2,-0.2 0.614 119.7 32.2-112.5 -16.6 2.9 -24.8 25.1 110 359 A T S < S- 0 0 29 -4,-2.4 2,-0.6 -5,-0.2 174,-0.0 -0.775 73.1-113.0-135.7 178.8 5.0 -22.5 22.9 111 360 A C - 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0 0 6 0, 0.0 3,-1.3 0, 0.0 -32,-0.1 -0.391 59.3 -81.4 -69.1 158.9 -8.8 -15.8 25.5 214 463 A P T 3 S+ 0 0 17 0, 0.0 13,-0.1 0, 0.0 21,-0.0 -0.261 113.9 15.0 -59.4 150.2 -9.8 -12.9 27.8 215 464 A Y T > S+ 0 0 55 1,-0.1 3,-2.1 -3,-0.1 8,-0.1 0.545 77.8 144.9 65.8 11.3 -11.7 -13.9 30.9 216 465 A L T < S+ 0 0 58 -3,-1.3 -1,-0.1 1,-0.3 -36,-0.1 0.819 70.6 51.6 -50.5 -36.5 -10.7 -17.6 30.6 217 466 A N T 3 S+ 0 0 141 2,-0.1 -1,-0.3 6,-0.0 2,-0.2 0.623 95.2 90.4 -81.6 -11.5 -10.5 -18.0 34.4 218 467 A E S < S- 0 0 83 -3,-2.1 0, 0.0 1,-0.1 0, 0.0 -0.511 93.2 -95.1 -78.6 149.5 -14.0 -16.5 35.0 219 468 A N >> - 0 0 86 -2,-0.2 4,-2.8 1,-0.1 3,-0.6 -0.394 43.0-111.2 -54.7 139.4 -17.1 -18.6 35.1 220 469 A P H 3> S+ 0 0 46 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.721 117.0 52.0 -53.7 -25.2 -18.6 -18.6 31.5 221 470 A L H 3> S+ 0 0 128 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.867 111.1 45.6 -80.1 -38.8 -21.6 -16.5 32.7 222 471 A R H <> S+ 0 0 156 -3,-0.6 4,-2.3 2,-0.2 3,-0.2 0.921 113.0 52.4 -63.2 -44.6 -19.5 -13.9 34.3 223 472 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.921 107.2 51.9 -56.6 -46.9 -17.3 -13.9 31.2 224 473 A L H X S+ 0 0 32 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.814 108.6 50.4 -62.8 -32.9 -20.3 -13.4 29.0 225 474 A Y H X S+ 0 0 152 -4,-1.4 4,-1.8 2,-0.2 5,-0.3 0.905 111.7 48.4 -72.0 -40.1 -21.4 -10.4 31.0 226 475 A L H X>S+ 0 0 34 -4,-2.3 4,-3.2 2,-0.2 5,-0.6 0.931 112.2 48.5 -63.1 -45.0 -17.9 -9.0 30.7 227 476 A I H X5S+ 0 0 5 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.944 113.0 48.7 -58.4 -47.7 -17.9 -9.6 26.9 228 477 A A H <5S+ 0 0 25 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.806 124.7 27.3 -64.0 -32.6 -21.3 -8.0 26.5 229 478 A T H <5S+ 0 0 75 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.780 121.8 47.1-105.2 -31.8 -20.5 -4.8 28.5 230 479 A N H <5S- 0 0 91 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.776 82.1-177.6 -81.8 -30.0 -16.7 -4.3 28.2 231 480 A G << + 0 0 3 -4,-1.4 -1,-0.2 -5,-0.6 -2,-0.1 -0.498 56.8 44.9 73.4-128.8 -16.7 -4.8 24.4 232 481 A T S S- 0 0 61 -2,-0.3 22,-0.1 1,-0.1 18,-0.0 -0.326 94.4-123.1 -53.0 114.9 -13.3 -4.7 22.8 233 482 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.124 22.4-114.1 -62.3 159.9 -11.2 -6.8 25.1 234 483 A E - 0 0 170 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 -0.723 23.0-133.5 -97.8 151.4 -8.1 -5.4 26.7 235 484 A L - 0 0 31 -2,-0.3 -29,-0.0 1,-0.1 -1,-0.0 -0.737 7.6-135.5-103.3 149.5 -4.5 -6.5 26.1 236 485 A Q S S+ 0 0 125 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.967 98.9 7.5 -65.7 -56.0 -1.8 -7.3 28.6 237 486 A N > + 0 0 92 1,-0.1 3,-1.2 2,-0.0 4,-0.5 -0.680 68.8 166.9-130.2 76.7 1.1 -5.5 26.8 238 487 A P G > S+ 0 0 46 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.859 76.1 60.7 -60.9 -34.3 -0.3 -3.6 23.9 239 488 A E G 3 S+ 0 0 124 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.677 93.7 63.8 -70.9 -18.4 2.9 -1.7 23.4 240 489 A K G < S+ 0 0 171 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.706 91.7 84.7 -73.4 -20.4 4.9 -4.9 22.8 241 490 A L S < S- 0 0 20 -3,-1.5 -32,-0.0 -4,-0.5 0, 0.0 -0.533 88.6-105.2 -85.9 148.3 2.8 -5.4 19.6 242 491 A S > - 0 0 40 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.317 29.3-117.8 -64.4 153.9 3.5 -4.0 16.2 243 492 A A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 115.2 53.1 -59.4 -38.8 1.2 -1.1 15.1 244 493 A I H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.889 109.4 47.9 -68.7 -37.3 -0.0 -3.2 12.2 245 494 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.914 110.3 51.8 -67.3 -42.4 -0.9 -6.1 14.4 246 495 A R H X S+ 0 0 91 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 110.2 49.2 -61.4 -40.6 -2.7 -3.9 16.9 247 496 A D H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.937 109.9 51.1 -64.3 -46.4 -4.7 -2.4 14.0 248 497 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.938 110.2 49.5 -53.9 -50.6 -5.6 -5.9 12.7 249 498 A L H X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.914 109.2 52.4 -54.6 -46.9 -6.8 -6.9 16.2 250 499 A N H < S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 107.3 51.9 -60.9 -36.8 -8.9 -3.7 16.4 251 500 A R H < S+ 0 0 123 -4,-2.1 10,-2.2 1,-0.2 3,-0.5 0.832 113.6 44.4 -67.4 -35.0 -10.6 -4.5 13.1 252 501 A C H < S+ 0 0 0 -4,-1.7 -50,-0.2 -3,-0.2 -2,-0.2 0.793 117.0 45.5 -74.1 -32.5 -11.5 -8.0 14.2 253 502 A L S < S+ 0 0 6 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.2 0.006 75.7 141.6-112.7 27.3 -12.7 -7.0 17.6 254 503 A E - 0 0 40 -3,-0.5 6,-0.2 1,-0.1 -3,-0.1 -0.478 44.9-148.4 -64.5 136.0 -14.9 -4.0 16.8 255 504 A M S S+ 0 0 71 -2,-0.2 2,-1.0 1,-0.1 -70,-0.2 0.916 85.6 75.1 -71.6 -43.4 -17.9 -3.7 18.9 256 505 A D S >> S- 0 0 89 1,-0.2 3,-2.0 2,-0.1 4,-1.7 -0.635 75.4-154.1 -73.2 101.8 -19.9 -2.1 16.1 257 506 A V T 34 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.1 0.806 93.4 56.1 -44.9 -40.6 -20.6 -5.0 13.7 258 507 A E T 34 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.810 111.2 44.7 -67.0 -27.4 -20.8 -2.7 10.8 259 508 A K T <4 S+ 0 0 132 -3,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.745 91.7 96.2 -88.2 -29.3 -17.3 -1.4 11.6 260 509 A R S < S- 0 0 0 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.361 87.0-101.6 -60.6 141.0 -15.8 -4.8 12.2 261 510 A G - 0 0 5 -10,-2.2 2,-0.2 1,-0.1 -1,-0.1 -0.280 27.5-132.9 -63.6 148.3 -14.0 -6.2 9.1 262 511 A S > - 0 0 32 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.529 31.0-105.4 -87.1 168.8 -15.5 -8.8 7.0 263 512 A A H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -134,-0.2 0.938 122.9 52.8 -60.1 -45.7 -13.4 -11.8 6.0 264 513 A K H 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.891 112.2 45.5 -57.9 -42.5 -13.0 -10.4 2.4 265 514 A E H >4 S+ 0 0 119 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.927 111.8 50.4 -64.9 -45.1 -11.8 -7.0 3.9 266 515 A L H >< S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.3 6,-0.3 0.746 96.3 69.3 -72.1 -21.7 -9.4 -8.6 6.4 267 516 A I T 3< S+ 0 0 36 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.726 100.5 50.1 -61.2 -27.9 -7.8 -10.7 3.7 268 517 A Q T < S+ 0 0 137 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.502 84.3 123.0 -88.9 -9.6 -6.4 -7.5 2.3 269 518 A H X - 0 0 17 -3,-1.2 3,-0.9 -4,-0.3 4,-0.4 -0.248 65.2-133.3 -63.1 141.1 -5.0 -6.3 5.7 270 519 A Q G > S+ 0 0 138 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.708 98.1 74.1 -72.1 -17.1 -1.3 -5.5 5.7 271 520 A F G > S+ 0 0 0 -27,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.914 93.0 56.0 -56.1 -40.6 -0.7 -7.5 9.0 272 521 A L G X S+ 0 0 8 -3,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.767 93.7 68.7 -64.9 -25.1 -1.1 -10.7 6.9 273 522 A K G < S+ 0 0 145 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.538 88.5 63.6 -75.5 -6.4 1.6 -9.6 4.6 274 523 A I G < S+ 0 0 72 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.457 78.6 137.1 -90.5 -1.2 4.2 -10.1 7.4 275 524 A A < - 0 0 25 -3,-1.6 -159,-0.2 -157,-0.2 -160,-0.1 -0.137 48.3-141.7 -43.9 127.2 3.3 -13.8 7.3 276 525 A K - 0 0 87 -161,-1.8 -1,-0.1 1,-0.2 5,-0.1 -0.462 41.9 -78.0 -75.9 162.4 6.2 -16.2 7.6 277 526 A P > - 0 0 86 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.374 42.5-116.9 -57.2 146.2 6.0 -19.4 5.5 278 527 A L G > S+ 0 0 36 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.811 111.9 72.5 -55.0 -31.6 3.8 -21.9 7.2 279 528 A S G > S+ 0 0 73 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.730 80.3 73.7 -56.4 -23.9 6.8 -24.2 7.5 280 529 A S G < S+ 0 0 26 -3,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.724 87.9 62.3 -63.9 -20.4 8.1 -21.8 10.3 281 530 A L G <> S+ 0 0 7 -3,-2.2 4,-2.6 -4,-0.2 3,-0.4 0.671 79.2 89.0 -76.5 -18.3 5.4 -23.3 12.5 282 531 A T H <> S+ 0 0 47 -3,-1.6 4,-2.6 -4,-0.3 -1,-0.2 0.870 84.8 49.3 -52.8 -45.4 6.9 -26.8 12.4 283 532 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 113.2 46.6 -65.3 -37.8 9.3 -26.4 15.4 284 533 A L H > S+ 0 0 29 -4,-0.4 4,-3.1 -3,-0.4 5,-0.2 0.929 112.6 50.8 -65.4 -43.4 6.5 -25.0 17.6 285 534 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.899 111.3 48.2 -60.2 -42.7 4.2 -27.8 16.5 286 535 A A H X S+ 0 0 46 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.924 113.4 46.6 -65.1 -46.4 6.9 -30.4 17.2 287 536 A A H X S+ 0 0 51 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.928 113.6 48.4 -61.0 -47.8 7.6 -28.9 20.7 288 537 A A H X S+ 0 0 2 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.896 109.9 52.8 -58.1 -42.6 3.9 -28.7 21.5 289 538 A K H < S+ 0 0 100 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.943 112.5 44.7 -61.1 -48.0 3.4 -32.3 20.4 290 539 A E H < S+ 0 0 164 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.956 113.8 47.6 -58.9 -55.6 6.2 -33.5 22.7 291 540 A A H < 0 0 65 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.746 360.0 360.0 -57.7 -23.1 5.0 -31.5 25.7 292 541 A T < 0 0 99 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.729 360.0 360.0-102.7 360.0 1.6 -32.8 25.0