==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-12 4HTE . COMPND 2 MOLECULE: NICKING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR L.BETTS . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 1 0 0 0 0 2 0 0 1 2 0 1 0 2 0 0 1 0 1 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 254 A K 0 0 145 0, 0.0 2,-0.3 0, 0.0 111,-0.1 0.000 360.0 360.0 360.0-125.5 57.1 -11.8 169.3 2 255 A L - 0 0 49 105,-0.1 2,-0.3 111,-0.1 111,-0.1 -0.876 360.0-155.9-123.8 154.8 55.0 -8.7 169.8 3 256 A N > - 0 0 95 -2,-0.3 3,-2.5 106,-0.0 106,-0.2 -0.782 40.1 -89.6-124.6 170.7 52.6 -6.6 167.7 4 257 A A T 3 S+ 0 0 14 104,-0.3 105,-0.1 1,-0.3 104,-0.1 0.751 122.6 51.0 -50.2 -33.2 51.3 -3.0 167.8 5 258 A F T > S+ 0 0 104 103,-0.1 3,-1.4 2,-0.1 -1,-0.3 0.235 79.3 129.8 -96.1 14.0 48.4 -3.8 170.1 6 259 A S T < S+ 0 0 19 -3,-2.5 77,-0.1 1,-0.3 3,-0.1 -0.414 77.5 10.8 -66.4 142.2 50.4 -5.6 172.7 7 260 A Y T 3 S+ 0 0 57 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.653 102.4 126.5 65.5 15.8 49.8 -4.4 176.3 8 261 A X < - 0 0 20 -3,-1.4 -1,-0.2 74,-0.0 68,-0.0 -0.921 57.7-132.0-115.6 119.5 46.8 -2.4 175.1 9 262 A N > - 0 0 114 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.092 23.1-118.7 -54.6 160.8 43.3 -2.7 176.5 10 263 A K H > S+ 0 0 170 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.735 115.2 60.0 -78.0 -23.0 40.4 -3.1 174.1 11 264 A S H > S+ 0 0 89 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.893 111.3 40.7 -67.2 -39.8 39.0 0.1 175.3 12 265 A D H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.913 108.6 59.7 -72.9 -45.3 42.2 1.8 174.2 13 266 A S H X S+ 0 0 21 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.872 107.8 47.6 -48.3 -40.0 42.4 -0.2 171.0 14 267 A T H X S+ 0 0 76 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.848 104.2 60.2 -75.6 -34.6 39.0 1.3 170.0 15 268 A T H X S+ 0 0 38 -4,-1.1 4,-3.0 -3,-0.3 5,-0.2 0.950 103.7 49.3 -57.8 -53.7 40.0 4.8 170.9 16 269 A L H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.897 112.8 49.3 -51.9 -44.9 42.8 4.9 168.3 17 270 A K H X S+ 0 0 63 -4,-1.2 4,-1.3 -5,-0.2 -2,-0.2 0.970 113.0 44.5 -60.6 -55.7 40.5 3.6 165.7 18 271 A N H X S+ 0 0 84 -4,-2.8 4,-1.4 1,-0.2 5,-0.2 0.895 114.6 51.0 -55.6 -43.8 37.7 6.1 166.4 19 272 A X H X S+ 0 0 26 -4,-3.0 4,-3.5 1,-0.2 5,-0.5 0.961 104.1 52.9 -62.6 -57.4 40.1 8.9 166.5 20 273 A A H X>S+ 0 0 29 -4,-2.4 4,-1.3 1,-0.2 5,-0.8 0.798 106.4 61.0 -48.9 -28.9 42.0 8.3 163.3 21 274 A K H <5S+ 0 0 74 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.968 116.0 25.6 -64.3 -56.5 38.5 8.3 161.7 22 275 A D H <5S+ 0 0 90 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.1 0.843 123.0 53.6 -79.4 -35.0 37.5 11.9 162.7 23 276 A L H <5S- 0 0 1 -4,-3.5 -3,-0.2 -5,-0.2 -1,-0.2 0.786 96.3-146.7 -67.6 -28.1 41.1 13.2 162.8 24 277 A K T <5 + 0 0 79 -4,-1.3 2,-0.3 -5,-0.5 -3,-0.2 0.902 57.0 110.9 61.8 43.8 41.5 11.8 159.3 25 278 A I S - 0 0 39 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.968 60.4-112.5-156.4 140.3 51.9 7.8 164.9 29 282 A P H > S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.881 122.5 40.4 -42.5 -48.5 54.0 9.5 167.6 30 283 A I H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.914 112.6 53.7 -66.9 -45.6 55.7 11.6 164.9 31 284 A N H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 111.4 47.5 -59.3 -31.8 52.5 12.2 162.9 32 285 A X H X S+ 0 0 20 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.903 108.8 53.3 -72.4 -43.5 51.0 13.4 166.2 33 286 A Y H X S+ 0 0 58 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.850 111.0 49.2 -56.5 -35.7 54.0 15.6 166.7 34 287 A K H >X S+ 0 0 112 -4,-2.4 4,-2.6 2,-0.2 3,-0.6 0.980 109.4 47.9 -68.4 -58.4 53.4 17.0 163.2 35 288 A E H 3X S+ 0 0 13 -4,-2.3 4,-3.0 1,-0.3 5,-0.2 0.856 108.0 57.8 -52.2 -39.5 49.7 17.8 163.7 36 289 A N H 3X S+ 0 0 84 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.914 109.6 43.2 -59.2 -45.0 50.5 19.5 167.0 37 290 A E H X S+ 0 0 59 -4,-1.1 4,-1.8 -5,-0.2 3,-0.7 0.943 98.2 58.3 -70.5 -49.6 47.0 27.4 162.9 43 296 A K H 3X S+ 0 0 46 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.802 103.7 55.9 -51.8 -32.0 45.6 28.9 166.2 44 297 A Q H 3< S+ 0 0 27 -4,-1.1 4,-0.4 1,-0.2 -1,-0.3 0.896 105.7 47.8 -71.8 -40.6 47.8 31.9 165.6 45 298 A K H XX S+ 0 0 115 -4,-1.0 3,-1.1 -3,-0.7 4,-0.9 0.810 102.4 67.6 -68.2 -28.6 46.4 32.7 162.2 46 299 A T H >< S+ 0 0 20 -4,-1.8 3,-0.7 1,-0.3 4,-0.3 0.936 88.4 64.2 -55.5 -50.9 42.9 32.3 163.6 47 300 A S T 3< S+ 0 0 45 -4,-1.2 3,-0.4 1,-0.2 -1,-0.3 0.759 100.0 54.0 -42.6 -34.0 43.2 35.4 165.7 48 301 A L T <4 S+ 0 0 49 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.892 74.9 94.7 -77.4 -42.4 43.5 37.6 162.6 49 302 A I << - 0 0 56 -4,-0.9 2,-0.5 -3,-0.7 -1,-0.2 0.638 70.0-155.4 -16.3 -57.3 40.4 36.6 160.6 50 303 A T + 0 0 103 -3,-0.4 2,-0.9 -4,-0.3 -1,-0.2 -0.425 61.0 107.0 103.9 -54.0 38.4 39.5 162.1 51 304 A D >> - 0 0 50 -2,-0.5 4,-1.6 1,-0.2 3,-1.2 -0.439 64.6-150.3 -57.9 100.1 34.9 38.1 161.7 52 305 A D H 3> S+ 0 0 64 -2,-0.9 4,-1.8 1,-0.3 -1,-0.2 0.752 92.5 62.7 -47.2 -29.4 34.3 37.3 165.4 53 306 A E H 3> S+ 0 0 75 2,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.935 106.7 41.2 -63.3 -48.2 32.0 34.4 164.2 54 307 A D H <> S+ 0 0 102 -3,-1.2 4,-3.7 2,-0.2 5,-0.3 0.959 114.0 50.1 -65.5 -54.4 34.9 32.6 162.4 55 308 A R H X S+ 0 0 72 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.868 111.4 51.3 -53.6 -39.9 37.5 33.1 165.1 56 309 A L H X S+ 0 0 68 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.963 118.4 34.2 -64.4 -54.6 35.1 31.9 167.8 57 310 A N H X S+ 0 0 52 -4,-1.9 4,-2.2 1,-0.2 3,-0.2 0.906 118.0 53.5 -67.8 -42.4 34.1 28.6 166.0 58 311 A K H X S+ 0 0 28 -4,-3.7 4,-1.1 1,-0.2 -1,-0.2 0.874 104.4 55.5 -62.0 -39.4 37.6 28.1 164.5 59 312 A I H X S+ 0 0 55 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.872 112.5 42.1 -62.6 -38.0 39.3 28.4 167.9 60 313 A E H X S+ 0 0 58 -4,-1.2 4,-1.9 -3,-0.2 -1,-0.2 0.807 103.5 66.1 -78.6 -31.5 37.1 25.6 169.3 61 314 A D H X S+ 0 0 105 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.812 111.3 38.1 -57.5 -29.6 37.4 23.5 166.1 62 315 A I H X S+ 0 0 19 -4,-1.1 4,-2.4 2,-0.2 3,-0.5 0.911 107.0 60.8 -85.0 -51.8 41.1 23.2 167.1 63 316 A E H X S+ 0 0 52 -4,-2.1 4,-1.3 1,-0.3 -2,-0.2 0.797 104.7 54.6 -47.3 -31.7 40.7 22.9 170.9 64 317 A D H X S+ 0 0 50 -4,-1.9 4,-1.2 2,-0.2 -1,-0.3 0.947 109.0 45.2 -67.0 -50.3 38.7 19.8 170.1 65 318 A R H >X S+ 0 0 62 -4,-0.8 4,-2.7 -3,-0.5 3,-0.9 0.939 110.0 52.7 -60.7 -51.0 41.5 18.2 168.0 66 319 A Q H 3X S+ 0 0 73 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.885 107.5 54.4 -52.4 -38.8 44.3 19.0 170.5 67 320 A K H 3X S+ 0 0 59 -4,-1.3 4,-2.0 -5,-0.4 -1,-0.3 0.820 108.6 49.5 -64.5 -31.4 42.1 17.3 173.1 68 321 A K H X S+ 0 0 90 -4,-1.8 4,-2.8 -5,-0.2 3,-0.5 0.974 107.7 49.8 -68.3 -56.2 46.1 14.1 174.1 71 324 A S H 3X S+ 0 0 31 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.744 112.9 51.2 -57.6 -22.3 43.6 11.3 174.7 72 325 A I H 3X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.3 0.828 108.6 51.2 -76.8 -36.7 45.6 9.5 172.0 73 326 A N H S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-0.5 0.864 109.8 45.7 -51.9 -42.4 56.2 -2.3 177.6 84 337 A F H X5S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.945 110.2 50.4 -71.5 -50.1 59.3 -1.1 179.5 85 338 A D H <5S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.8 43.4 -52.4 -39.6 58.6 -2.8 182.8 86 339 A K H <5S+ 0 0 135 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.873 134.8 11.0 -76.0 -39.8 58.1 -6.0 180.8 87 340 A N H <5S+ 0 0 50 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.800 137.7 25.2-113.2 -43.3 61.0 -5.8 178.4 88 341 A Y << + 0 0 12 -4,-1.2 3,-0.2 -5,-0.5 4,-0.2 -0.574 67.3 147.4-126.4 69.0 63.4 -3.0 179.5 89 342 A P S > S+ 0 0 72 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.851 71.7 53.5 -73.3 -37.5 62.8 -2.6 183.2 90 343 A D T 3 S+ 0 0 147 1,-0.2 3,-0.2 -3,-0.1 -5,-0.1 0.698 115.1 42.7 -70.6 -20.4 66.4 -1.6 184.2 91 344 A Q T > S+ 0 0 33 -3,-0.2 3,-1.7 -7,-0.2 4,-0.4 0.391 83.7 101.7-104.0 -0.3 66.2 1.2 181.6 92 345 A S T < S+ 0 0 22 -3,-0.8 3,-0.3 1,-0.3 -1,-0.1 0.714 85.2 44.6 -62.6 -23.1 62.7 2.4 182.4 93 346 A L T 3 S+ 0 0 167 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.501 99.0 74.0 -96.6 -5.0 64.0 5.4 184.4 94 347 A N S < S+ 0 0 114 -3,-1.7 2,-0.3 2,-0.1 -2,-0.2 0.497 94.3 52.3 -89.0 -4.8 66.6 6.4 181.8 95 348 A Y S S- 0 0 30 -4,-0.4 2,-0.1 -3,-0.3 0, 0.0 -0.923 80.0-111.7-135.1 156.8 64.1 7.8 179.2 96 349 A S > - 0 0 52 -2,-0.3 4,-3.6 1,-0.1 5,-0.2 -0.371 33.9-106.9 -84.2 164.1 61.3 10.3 179.1 97 350 A D H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 121.8 45.7 -56.2 -49.5 57.6 9.6 178.6 98 351 A D H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.953 114.4 48.3 -58.0 -51.3 57.7 11.0 175.0 99 352 A E H > S+ 0 0 60 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.942 111.5 50.6 -54.4 -50.9 60.9 9.1 174.3 100 353 A K H X S+ 0 0 34 -4,-3.6 4,-3.9 1,-0.2 5,-0.3 0.945 108.7 51.1 -51.5 -55.4 59.5 5.9 175.7 101 354 A I H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.908 111.2 48.6 -49.8 -48.8 56.3 6.2 173.6 102 355 A F H X S+ 0 0 13 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.942 115.9 42.8 -57.8 -49.8 58.4 6.7 170.5 103 356 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.934 113.1 52.3 -63.5 -48.1 60.6 3.7 171.3 104 357 A T H X S+ 0 0 1 -4,-3.9 4,-1.3 1,-0.2 -1,-0.2 0.922 112.6 44.9 -52.3 -49.5 57.7 1.5 172.3 105 358 A R H X S+ 0 0 30 -4,-2.6 4,-1.5 -5,-0.3 5,-0.2 0.811 111.9 51.6 -69.7 -32.2 55.8 2.2 169.1 106 359 A T H X S+ 0 0 18 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.891 106.8 53.0 -73.5 -39.8 58.8 1.7 166.8 107 360 A I H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.850 109.9 49.5 -62.4 -35.5 59.7 -1.7 168.3 108 361 A L H < S+ 0 0 13 -4,-1.3 -104,-0.3 -5,-0.2 -1,-0.2 0.893 127.4 17.9 -75.0 -42.1 56.2 -3.0 167.8 109 362 A N H < S+ 0 0 86 -4,-1.5 -2,-0.2 -106,-0.2 -3,-0.2 0.590 133.3 36.5-106.9 -14.4 55.7 -2.1 164.1 110 363 A D H < S+ 0 0 97 -4,-2.3 2,-0.4 -5,-0.2 -3,-0.2 0.144 102.5 71.0-131.1 19.6 59.2 -1.4 162.8 111 364 A R < - 0 0 82 -4,-0.6 2,-0.4 2,-0.0 -1,-0.1 -0.994 55.1-151.4-143.0 135.1 61.5 -3.9 164.5 112 365 A D S S- 0 0 164 -2,-0.4 -4,-0.0 -111,-0.1 -3,-0.0 -0.871 81.2 -8.7 -93.6 136.5 62.2 -7.7 164.4 113 366 A V S S- 0 0 63 -2,-0.4 -111,-0.1 -111,-0.1 -2,-0.0 -0.275 106.0 -60.9 68.1-162.9 63.5 -8.9 167.8 114 367 A L - 0 0 64 1,-0.2 5,-0.1 -27,-0.0 6,-0.1 -0.961 36.0-125.8-124.6 139.4 64.3 -6.2 170.5 115 368 A P - 0 0 27 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.917 42.1-137.7 -42.1 -72.5 66.9 -3.5 170.3 116 369 A A > - 0 0 56 1,-0.2 3,-3.2 2,-0.1 4,-0.5 0.555 35.6 -71.1 105.8 108.8 68.8 -4.3 173.5 117 370 A N T >> S+ 0 0 85 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.246 135.3 41.9 16.8 -75.4 70.0 -1.7 176.1 118 371 A N H >> S+ 0 0 83 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.903 115.5 49.4 -57.6 -45.8 72.7 -0.3 173.8 119 372 A E H <> S+ 0 0 37 -3,-3.2 4,-1.3 1,-0.3 3,-0.3 0.748 99.8 67.6 -66.6 -23.6 70.5 -0.4 170.7 120 373 A L H <> S+ 0 0 0 -3,-0.6 4,-0.7 -4,-0.5 -1,-0.3 0.692 93.9 58.6 -72.1 -18.8 67.8 1.4 172.6 121 374 A E H < S- 0 0 5 -4,-2.1 3,-0.8 -5,-0.3 2,-0.7 0.865 84.1-177.7 -70.6 -37.7 60.4 27.9 157.3 141 394 A G T 3< S+ 0 0 36 -4,-1.3 -1,-0.2 -5,-0.3 4,-0.1 -0.651 71.5 2.7 78.6-111.7 58.2 26.7 154.5 142 395 A N T 3 S+ 0 0 174 -2,-0.7 2,-0.5 2,-0.1 -1,-0.2 0.339 108.8 103.9 -93.8 4.8 60.0 27.0 151.2 143 396 A R S < S- 0 0 92 -3,-0.8 2,-0.3 -6,-0.1 -3,-0.1 -0.751 81.5-118.0 -80.6 129.0 63.1 28.2 152.9 144 397 A D - 0 0 136 -2,-0.5 5,-0.2 1,-0.1 2,-0.1 -0.583 40.1 -95.0 -70.9 130.0 65.7 25.4 153.1 145 398 A I S S+ 0 0 52 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.240 76.7 122.6 -52.9 112.8 66.5 24.6 156.7 146 399 A S S > S- 0 0 11 -2,-0.1 4,-2.8 1,-0.1 3,-0.4 -0.955 73.2-109.8-169.9 147.3 69.6 26.6 157.6 147 400 A L H > S+ 0 0 33 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.915 122.8 52.3 -48.8 -45.9 70.7 29.2 160.1 148 401 A E H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.856 109.7 49.6 -61.8 -34.6 70.8 31.7 157.2 149 402 A S H > S+ 0 0 15 -3,-0.4 4,-1.9 -5,-0.2 -2,-0.2 0.925 108.8 50.4 -69.7 -45.9 67.2 30.7 156.4 150 403 A I H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.921 112.0 48.6 -58.6 -45.7 66.0 31.1 159.9 151 404 A A H X S+ 0 0 42 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.954 110.4 51.0 -56.7 -51.6 67.6 34.6 160.1 152 405 A A H X S+ 0 0 48 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.811 110.6 51.5 -55.6 -32.3 66.0 35.5 156.7 153 406 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.906 111.1 43.5 -75.2 -43.4 62.6 34.3 158.1 154 407 A S H X S+ 0 0 31 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.835 110.2 57.1 -73.0 -31.5 62.7 36.4 161.3 155 408 A N H X S+ 0 0 99 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.866 100.3 58.7 -66.0 -36.0 64.0 39.4 159.5 156 409 A F H X S+ 0 0 92 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.887 114.5 36.9 -58.1 -39.0 60.9 39.2 157.2 157 410 A F H X S+ 0 0 23 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.791 110.4 59.7 -86.4 -30.5 58.7 39.6 160.3 158 411 A A H X S+ 0 0 37 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.915 109.7 45.7 -59.8 -42.3 61.0 42.0 162.1 159 412 A D H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.915 107.7 56.1 -65.9 -44.6 60.5 44.3 159.1 160 413 A K H X S+ 0 0 85 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.849 110.9 47.3 -54.7 -34.7 56.7 43.6 159.2 161 414 A L H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.975 108.5 50.2 -72.5 -57.6 56.8 44.8 162.8 162 415 A S H X S+ 0 0 45 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.879 115.2 46.3 -48.5 -43.4 58.9 48.0 162.4 163 416 A N H X S+ 0 0 88 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.920 111.4 47.9 -69.7 -46.5 56.6 49.0 159.5 164 417 A I H X S+ 0 0 16 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.817 113.3 51.5 -64.6 -28.7 53.3 48.3 161.2 165 418 A L H <>S+ 0 0 6 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.910 109.2 47.7 -74.1 -44.2 54.6 50.2 164.3 166 419 A E H ><5S+ 0 0 141 -4,-2.1 3,-1.3 -5,-0.3 -2,-0.2 0.907 106.1 60.3 -60.4 -41.8 55.6 53.3 162.3 167 420 A K H 3<5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 115.5 33.2 -53.8 -37.1 52.2 53.1 160.6 168 421 A N T 3<5S- 0 0 38 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.329 110.4-119.5-102.4 5.6 50.5 53.6 164.0 169 422 A N T < 5 + 0 0 148 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.800 65.1 146.6 59.6 30.7 53.3 55.8 165.4 170 423 A L < - 0 0 29 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.760 36.7-145.3-100.8 144.9 53.9 53.1 168.1 171 424 A S > - 0 0 54 -2,-0.3 4,-1.9 -3,-0.1 5,-0.2 -0.451 29.4-104.6 -99.4 174.4 57.3 52.3 169.6 172 425 A F H > S+ 0 0 114 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.837 125.4 47.6 -66.5 -33.8 58.9 49.1 170.8 173 426 A D H > S+ 0 0 99 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.835 106.9 57.9 -75.3 -32.2 58.3 50.3 174.4 174 427 A D H 4>S+ 0 0 40 1,-0.2 5,-2.0 2,-0.2 3,-0.3 0.934 106.8 46.5 -61.0 -47.6 54.8 51.2 173.6 175 428 A V H ><5S+ 0 0 20 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.766 109.8 55.7 -68.5 -25.1 53.9 47.7 172.5 176 429 A L H 3<5S+ 0 0 132 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 108.4 47.8 -72.4 -30.7 55.6 46.5 175.6 177 430 A E T 3<5S- 0 0 128 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.303 116.3-116.6 -92.9 8.7 53.3 48.7 177.7 178 431 A N T X 5 + 0 0 82 -3,-0.6 3,-0.7 -5,-0.1 -3,-0.2 0.901 63.0 148.8 58.6 45.9 50.3 47.4 175.7 179 432 A K T 3 < + 0 0 97 -5,-2.0 3,-0.4 1,-0.2 -4,-0.1 0.666 67.6 59.7 -76.9 -16.5 49.4 50.8 174.3 180 433 A H T > + 0 0 1 -6,-0.3 3,-1.7 1,-0.2 6,-0.3 0.310 66.6 116.3 -97.7 7.3 48.0 49.0 171.2 181 434 A E T < S+ 0 0 144 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.815 80.7 38.7 -47.6 -42.1 45.3 47.0 173.0 182 435 A G T 3 S+ 0 0 78 -3,-0.4 -1,-0.3 4,-0.1 2,-0.2 -0.148 92.8 105.8-110.1 37.9 42.4 48.6 171.2 183 436 A X S < S- 0 0 78 -3,-1.7 4,-0.4 1,-0.1 3,-0.1 -0.678 74.3-120.5-107.6 167.7 43.6 49.1 167.7 184 437 A E S S+ 0 0 185 -2,-0.2 3,-0.3 1,-0.2 4,-0.3 0.828 114.3 47.4 -72.7 -32.4 42.8 47.3 164.5 185 438 A D S >> S+ 0 0 13 1,-0.2 4,-3.0 2,-0.1 3,-0.7 0.591 82.8 97.5 -87.6 -11.8 46.4 46.3 163.9 186 439 A S H 3> S+ 0 0 6 -6,-0.3 4,-2.8 1,-0.3 5,-0.3 0.892 83.4 49.6 -41.6 -58.4 47.0 45.0 167.5 187 440 A L H 3> S+ 0 0 68 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.3 0.863 113.9 47.0 -53.9 -38.9 46.3 41.4 166.7 188 441 A K H <> S+ 0 0 87 -3,-0.7 4,-2.6 -4,-0.3 5,-0.3 0.904 109.0 54.5 -68.5 -41.4 48.8 41.7 163.7 189 442 A I H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.929 113.4 41.8 -58.0 -45.8 51.3 43.5 166.0 190 443 A D H X S+ 0 0 76 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.903 110.0 58.2 -68.8 -42.1 51.2 40.6 168.4 191 444 A Y H X S+ 0 0 29 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.963 110.5 42.5 -49.8 -58.1 51.2 38.0 165.6 192 445 A Y H X S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.926 112.0 54.8 -54.7 -48.3 54.5 39.3 164.3 193 446 A T H X S+ 0 0 53 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.900 110.2 46.6 -54.7 -42.9 55.9 39.6 167.8 194 447 A N H >X S+ 0 0 48 -4,-2.9 4,-2.3 1,-0.2 3,-0.7 0.915 105.4 58.7 -66.8 -43.7 55.1 36.0 168.4 195 448 A K H 3X S+ 0 0 12 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.823 98.9 60.7 -55.6 -32.6 56.6 34.9 165.1 196 449 A L H 3X S+ 0 0 34 -4,-1.7 4,-1.3 1,-0.2 3,-0.3 0.917 106.8 45.0 -61.6 -41.6 59.9 36.4 166.2 197 450 A E H X S+ 0 0 89 -4,-2.5 4,-2.6 2,-0.2 3,-0.7 0.938 107.3 55.1 -68.9 -49.2 63.0 28.7 169.1 202 455 A A H 3X S+ 0 0 4 -4,-1.8 4,-3.0 1,-0.3 -1,-0.2 0.872 103.6 57.2 -50.5 -40.3 63.8 27.3 165.6 203 456 A E H 3X S+ 0 0 78 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.880 108.3 46.3 -62.4 -37.8 67.4 28.5 166.2 204 457 A N H X S+ 0 0 6 -4,-2.7 4,-2.9 -5,-0.2 3,-0.9 0.946 107.2 60.2 -75.5 -52.9 73.1 19.8 164.3 211 464 A D H 3X S+ 0 0 29 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.839 105.0 49.8 -42.7 -45.8 74.6 18.6 167.5 212 465 A V H 3X S+ 0 0 25 -4,-2.2 4,-0.6 1,-0.2 -1,-0.3 0.885 114.1 45.3 -64.9 -39.1 73.2 15.1 167.0 213 466 A Q H X< S+ 0 0 37 -3,-0.9 3,-1.4 -4,-0.8 4,-0.3 0.933 110.7 51.9 -68.1 -47.0 74.6 15.0 163.4 214 467 A I H >X S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.3 4,-0.8 0.770 97.2 68.8 -65.9 -25.5 78.0 16.4 164.4 215 468 A K H >< S+ 0 0 31 -4,-1.5 3,-0.5 -5,-0.3 -1,-0.3 0.849 96.3 54.4 -59.7 -33.7 78.3 13.7 167.1 216 469 A E T << S+ 0 0 117 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.562 99.2 63.2 -77.8 -8.7 78.6 11.1 164.3 217 470 A L T <4 S+ 0 0 5 -3,-1.4 2,-0.6 -4,-0.3 -1,-0.2 0.739 92.3 71.4 -86.6 -25.2 81.5 13.0 162.7 218 471 A F << - 0 0 32 -4,-0.8 -1,-0.1 -3,-0.5 35,-0.1 -0.836 52.3-176.3 -99.4 120.8 83.8 12.5 165.7 219 472 A T S S+ 0 0 88 -2,-0.6 2,-1.2 33,-0.2 -1,-0.2 0.871 77.1 72.4 -76.1 -39.4 85.2 9.1 166.4 220 473 A D S > S- 0 0 39 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.656 71.3-161.8 -80.4 96.1 86.9 10.3 169.6 221 474 A D H > S+ 0 0 82 -2,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.800 92.9 48.2 -47.4 -33.0 83.9 10.8 171.9 222 475 A E H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 104.5 56.0 -74.3 -48.5 86.2 13.0 174.0 223 476 A D H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.835 107.5 53.1 -53.9 -35.1 87.5 15.1 171.1 224 477 A Y H X S+ 0 0 49 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.985 103.2 53.7 -61.6 -60.7 83.9 15.9 170.3 225 478 A K H X S+ 0 0 63 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.841 111.3 48.7 -42.9 -40.8 83.0 17.1 173.8 226 479 A A H >X S+ 0 0 62 -4,-1.9 4,-1.0 1,-0.2 3,-0.9 0.943 110.3 48.6 -67.1 -49.9 86.0 19.5 173.5 227 480 A F H 3X S+ 0 0 65 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.853 106.9 58.8 -57.9 -36.5 85.0 20.9 170.1 228 481 A N H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 102.4 53.2 -64.9 -29.8 81.5 21.4 171.4 229 482 A E H << S+ 0 0 88 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.766 111.1 43.2 -79.6 -26.7 82.6 23.7 174.2 230 483 A V H < S+ 0 0 130 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.2 0.666 101.7 77.2 -94.9 -19.1 84.6 26.2 172.0 231 484 A T < - 0 0 29 -4,-1.2 2,-0.1 1,-0.1 0, 0.0 -0.687 59.1-154.6-102.6 147.6 82.2 26.6 169.1 232 485 A D > - 0 0 95 -2,-0.3 4,-0.9 1,-0.0 -1,-0.1 -0.142 42.5 -86.8 -95.2-163.2 79.0 28.6 168.7 233 486 A I H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.902 123.0 54.5 -77.8 -42.9 76.1 27.9 166.3 234 487 A K H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.926 108.7 49.9 -56.9 -46.3 77.5 29.7 163.2 235 488 A E H > S+ 0 0 27 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.857 108.3 54.4 -59.4 -36.8 80.7 27.7 163.4 236 489 A K H X S+ 0 0 7 -4,-0.9 4,-2.0 1,-0.2 3,-0.3 0.890 105.4 52.2 -65.6 -40.4 78.6 24.6 163.6 237 490 A Q H X S+ 0 0 15 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.924 102.9 58.2 -60.5 -45.8 76.7 25.5 160.4 238 491 A Q H X S+ 0 0 136 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.814 107.3 49.3 -55.3 -32.1 80.0 25.9 158.6 239 492 A L H X S+ 0 0 27 -4,-1.0 4,-2.8 -3,-0.3 -1,-0.2 0.939 109.3 49.5 -72.0 -49.4 80.8 22.3 159.5 240 493 A I H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.952 113.9 46.6 -53.4 -51.8 77.5 21.0 158.3 241 494 A D H X S+ 0 0 42 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.917 113.1 49.8 -55.0 -45.1 77.9 22.9 155.0 242 495 A F H X S+ 0 0 32 -4,-1.9 4,-1.6 -5,-0.3 3,-0.3 0.842 110.2 52.1 -63.2 -33.5 81.5 21.5 154.9 243 496 A K H X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.939 104.5 53.3 -68.2 -48.3 80.1 18.0 155.5 244 497 A T H < S+ 0 0 70 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.638 110.9 49.5 -66.0 -14.2 77.6 18.1 152.7 245 498 A Y H < S+ 0 0 1 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.849 122.3 29.1 -89.8 -40.3 80.3 19.1 150.3 246 499 A H H X S- 0 0 10 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.468 109.9-123.9 -98.2 -3.9 82.8 16.4 151.2 247 500 A G H X - 0 0 31 -4,-2.1 4,-1.5 -5,-0.1 -1,-0.2 0.006 31.2 -78.8 75.6 167.8 80.3 13.8 152.3 248 501 A T H > S+ 0 0 83 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.969 122.6 54.3 -69.5 -56.0 80.3 12.2 155.7 249 502 A E H > S+ 0 0 145 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.915 113.6 40.6 -45.3 -61.2 83.1 9.6 155.3 250 503 A N H X S+ 0 0 58 -4,-0.5 4,-2.4 1,-0.2 3,-0.5 0.953 111.7 55.3 -53.6 -56.9 85.7 12.1 154.2 251 504 A T H X S+ 0 0 2 -4,-1.5 4,-1.5 1,-0.3 -1,-0.2 0.849 105.8 53.8 -47.6 -41.6 84.8 14.8 156.6 252 505 A I H X S+ 0 0 50 -4,-2.4 4,-1.0 -3,-0.2 -1,-0.3 0.931 111.2 44.2 -60.0 -47.8 85.2 12.3 159.5 253 506 A E H X S+ 0 0 89 -4,-1.6 4,-2.5 -3,-0.5 5,-0.4 0.830 108.2 61.7 -65.8 -32.6 88.7 11.4 158.4 254 507 A X H X S+ 0 0 18 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.883 106.0 40.9 -64.3 -43.4 89.6 15.1 157.8 255 508 A L H < S+ 0 0 61 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.685 120.8 42.2 -84.7 -19.7 89.1 16.4 161.4 256 509 A E H < S+ 0 0 116 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.768 122.2 39.6 -93.6 -32.5 90.8 13.4 163.1 257 510 A T H < S- 0 0 55 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.787 96.8-146.6 -80.2 -31.5 93.6 13.2 160.6 258 511 A G < + 0 0 60 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.2 0.409 58.1 118.7 80.4 -1.6 93.8 17.0 160.5 259 512 A N - 0 0 108 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.767 64.6-117.7-103.1 143.8 94.8 16.9 156.8 260 513 A F - 0 0 63 -2,-0.3 -1,-0.1 -3,-0.1 63,-0.0 -0.343 24.9-163.3 -75.8 156.7 92.9 18.4 154.0 261 514 A I - 0 0 37 -2,-0.1 2,-0.5 -10,-0.0 66,-0.0 -0.998 15.5-128.6-142.1 137.2 91.4 16.3 151.1 262 515 A P - 0 0 62 0, 0.0 58,-0.0 0, 0.0 -16,-0.0 -0.749 4.0-157.4 -93.0 129.1 90.1 17.5 147.7 263 516 A K S S+ 0 0 54 -2,-0.5 2,-0.3 2,-0.0 57,-0.0 0.824 78.9 43.7 -64.5 -32.8 86.6 16.4 146.5 264 517 A Y S S- 0 0 19 1,-0.1 2,-0.1 56,-0.1 43,-0.0 -0.729 82.4-112.7-118.0 161.4 87.7 16.9 142.8 265 518 A S > - 0 0 67 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.367 35.6-110.4 -78.4 166.9 90.6 16.2 140.5 266 519 A D H > S+ 0 0 99 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.889 120.6 47.8 -66.1 -38.7 92.7 19.0 139.1 267 520 A E H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.979 114.6 43.6 -64.1 -57.6 91.2 18.3 135.7 268 521 A D H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 110.5 56.5 -53.5 -47.6 87.6 18.2 136.9 269 522 A R H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.897 107.7 48.4 -54.0 -43.7 88.1 21.3 139.0 270 523 A K H X S+ 0 0 26 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.937 110.9 51.1 -61.9 -47.6 89.2 23.3 136.0 271 524 A Y H X S+ 0 0 59 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.946 108.9 50.3 -53.3 -54.6 86.2 22.1 134.0 272 525 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.907 109.8 49.2 -55.2 -49.8 83.7 23.1 136.6 273 526 A T H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.938 109.8 51.9 -56.9 -49.0 85.0 26.6 137.1 274 527 A E H X S+ 0 0 99 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.918 110.2 49.0 -53.7 -47.6 85.0 27.2 133.3 275 528 A Q H X S+ 0 0 32 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.921 105.4 56.5 -60.2 -47.3 81.4 26.1 133.1 276 529 A V H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.899 106.7 51.8 -49.4 -42.0 80.4 28.3 136.0 277 530 A K H X S+ 0 0 37 -4,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.863 105.8 55.3 -63.6 -36.8 81.9 31.2 133.9 278 531 A L H X S+ 0 0 76 -4,-1.5 4,-1.5 -3,-0.4 -2,-0.2 0.871 109.4 45.9 -64.1 -39.5 79.7 30.0 131.0 279 532 A L H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.951 115.7 43.9 -70.6 -50.6 76.5 30.3 133.0 280 533 A Q H >< S+ 0 0 67 -4,-2.3 3,-1.8 1,-0.2 4,-0.4 0.921 113.9 52.2 -58.6 -44.9 77.2 33.7 134.5 281 534 A E H 3< S+ 0 0 131 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.854 117.2 38.7 -59.4 -36.6 78.4 34.9 131.1 282 535 A K T 3< S+ 0 0 51 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 -0.023 96.9 86.0-103.2 27.8 75.2 33.7 129.6 283 536 A E S < S+ 0 0 103 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.584 95.1 36.9-100.5 -15.3 73.1 34.8 132.6 284 537 A F S S+ 0 0 158 -4,-0.4 -2,-0.1 -3,-0.4 -1,-0.1 0.161 75.6 134.5-124.1 15.3 72.6 38.4 131.4 285 538 A K - 0 0 41 1,-0.1 3,-0.3 7,-0.1 -3,-0.1 -0.576 61.6-121.8 -66.6 107.5 72.2 37.8 127.7 286 539 A P S S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.187 85.0 7.0 -59.2 142.3 69.2 40.0 127.0 287 540 A N S S- 0 0 104 1,-0.1 2,-0.1 2,-0.0 -3,-0.0 0.967 90.1-145.2 50.2 66.2 66.1 38.3 125.5 288 541 A K - 0 0 66 -3,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.338 8.1-125.0 -65.0 138.3 67.4 34.8 125.8 289 542 A N > - 0 0 97 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.324 27.9-103.4 -75.0 163.2 66.5 32.3 123.0 290 543 A Q H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.870 126.9 48.9 -54.7 -38.0 64.8 29.0 123.8 291 544 A H H > S+ 0 0 134 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.921 104.6 56.9 -67.1 -45.3 68.1 27.4 123.1 292 545 A D H > S+ 0 0 72 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.847 109.6 47.6 -54.7 -34.0 69.9 29.8 125.4 293 546 A K H X S+ 0 0 65 -4,-1.8 4,-1.5 2,-0.2 -1,-0.3 0.858 114.2 46.2 -74.7 -36.3 67.5 28.7 128.1 294 547 A F H X S+ 0 0 140 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.898 111.7 49.6 -72.9 -41.8 68.1 25.0 127.3 295 548 A V H X S+ 0 0 69 -4,-3.8 4,-2.2 2,-0.2 5,-0.2 0.891 108.4 54.5 -65.7 -38.5 71.9 25.3 127.2 296 549 A F H X S+ 0 0 56 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.929 116.2 37.8 -58.1 -46.2 71.9 27.1 130.5 297 550 A G H X S+ 0 0 31 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.795 110.6 60.6 -76.9 -30.3 70.0 24.2 132.0 298 551 A A H X S+ 0 0 33 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.892 106.1 47.7 -64.1 -39.6 71.9 21.6 130.0 299 552 A I H X S+ 0 0 25 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.938 112.5 47.5 -67.9 -48.1 75.1 22.7 131.6 300 553 A Q H X S+ 0 0 49 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.952 110.5 52.8 -56.2 -52.5 73.7 22.7 135.2 301 554 A K H X S+ 0 0 157 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.909 112.9 44.2 -49.3 -49.1 72.2 19.3 134.6 302 555 A K H X>S+ 0 0 82 -4,-2.0 4,-3.6 2,-0.2 5,-0.6 0.964 111.3 52.5 -62.7 -54.5 75.5 17.9 133.5 303 556 A L H X>S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 6,-1.4 0.898 115.9 40.7 -46.5 -50.1 77.6 19.5 136.2 304 557 A L H X5S+ 0 0 81 -4,-2.8 4,-0.6 4,-0.3 -1,-0.2 0.916 120.7 43.0 -68.8 -44.6 75.3 18.1 138.9 305 558 A S H <5S+ 0 0 91 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.956 124.9 31.6 -67.0 -53.0 74.9 14.7 137.3 306 559 A E H <5S+ 0 0 129 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.893 137.2 17.0 -74.2 -42.6 78.5 14.1 136.3 307 560 A Y H < + 0 0 50 -2,-0.6 4,-1.7 1,-0.2 6,-0.5 -0.778 11.9 175.6-103.8 90.0 75.2 22.3 142.6 311 564 A Y T 4 S+ 0 0 34 -2,-0.9 -1,-0.2 1,-0.2 6,-0.1 0.880 83.9 53.6 -58.7 -39.3 75.6 25.8 141.1 312 565 A S T 4 S+ 0 0 82 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.940 103.1 57.1 -60.2 -48.8 72.2 26.7 142.5 313 566 A D T 4 S- 0 0 84 1,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.918 83.8-160.8 -47.4 -54.8 73.2 25.7 146.0 314 567 A N S X S+ 0 0 87 -4,-1.7 4,-1.2 1,-0.0 -1,-0.2 0.270 73.5 88.2 83.9 -11.1 76.1 28.1 146.0 315 568 A N H > S+ 0 0 20 -5,-0.3 4,-2.4 2,-0.2 5,-0.3 0.866 82.7 55.3 -79.9 -40.8 77.7 26.1 148.9 316 569 A D H > S+ 0 0 11 -6,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.912 109.5 47.9 -54.5 -43.7 79.4 23.8 146.4 317 570 A L H > S+ 0 0 3 -7,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.904 108.5 53.9 -66.4 -42.3 81.0 26.9 144.8 318 571 A K H X S+ 0 0 45 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.930 113.6 41.3 -57.4 -48.1 82.1 28.3 148.2 319 572 A H H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.727 107.3 63.0 -76.3 -21.9 83.9 25.1 149.1 320 573 A L H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.3 -1,-0.2 0.943 105.0 46.7 -63.9 -48.5 85.3 24.8 145.6 321 574 A Y H X S+ 0 0 67 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.956 110.8 52.5 -54.1 -52.3 87.2 28.0 146.1 322 575 A Q H X S+ 0 0 85 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.886 110.2 49.5 -51.3 -42.7 88.3 26.8 149.5 323 576 A E H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.957 110.9 47.8 -61.7 -53.4 89.6 23.6 147.8 324 577 A S H X>S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-1.7 0.920 111.6 50.2 -54.7 -49.6 91.5 25.5 145.1 325 578 A N H <5S+ 0 0 115 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.870 112.0 49.2 -57.2 -38.3 93.1 27.8 147.6 326 579 A E H <5S+ 0 0 120 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.924 118.7 34.6 -71.8 -46.9 94.2 24.9 149.7 327 580 A V H <5S- 0 0 73 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.618 111.4-118.2 -84.9 -13.4 95.8 22.8 147.0 328 581 A G T <5 + 0 0 54 -4,-2.0 2,-2.2 -5,-0.3 -3,-0.2 0.760 48.1 168.3 83.6 27.6 97.0 25.9 145.1 329 582 A D >< + 0 0 24 -5,-1.7 4,-3.1 -6,-0.2 5,-0.3 -0.505 5.8 176.9 -73.5 80.6 95.0 25.4 141.9 330 583 A E H > S+ 0 0 58 -2,-2.2 4,-3.1 1,-0.2 5,-0.3 0.905 73.3 57.3 -53.0 -47.8 95.8 28.9 140.6 331 584 A I H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.952 116.4 32.7 -48.9 -61.9 94.0 28.3 137.3 332 585 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.950 116.8 55.7 -62.1 -52.6 90.7 27.4 139.0 333 586 A K H X S+ 0 0 11 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.867 110.2 48.3 -46.4 -41.0 91.1 29.7 141.9 334 587 A D H X S+ 0 0 87 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.910 108.5 51.8 -70.1 -44.5 91.6 32.5 139.3 335 588 A N H X S+ 0 0 62 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.892 111.2 48.7 -57.0 -41.2 88.5 31.6 137.3 336 589 A I H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.848 107.4 54.8 -69.5 -35.4 86.4 31.6 140.5 337 590 A E H < S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.857 106.3 52.0 -65.1 -35.7 87.8 35.0 141.5 338 591 A E H < S+ 0 0 85 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.872 109.5 50.9 -67.0 -37.4 86.7 36.4 138.1 339 592 A F H < 0 0 33 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.973 360.0 360.0 -62.4 -57.0 83.2 35.0 138.8 340 593 A Y < 0 0 138 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.927 360.0 360.0 -68.0 360.0 83.0 36.6 142.3