==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 29-JUL-10 3O6P . COMPND 2 MOLECULE: PEPTIDE ABC TRANSPORTER, PEPTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR C.CHANG,L.BIGELOW,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 8.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 1 1 0 0 1 1 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 1 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 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 1 300 A A 0 0 116 0, 0.0 2,-0.1 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 6.1 36.6 35.4 23.0 2 301 A A - 0 0 9 225,-0.2 155,-2.1 155,-0.2 2,-0.3 -0.434 360.0-167.8 -72.5 144.3 35.9 32.0 21.4 3 302 A S E -AB 156 226A 18 223,-1.5 223,-2.2 153,-0.2 2,-0.4 -0.946 16.6-154.9-133.8 149.2 38.9 30.2 19.9 4 303 A T E -AB 155 225A 1 151,-2.0 151,-2.1 -2,-0.3 2,-0.5 -0.995 11.0-152.4-121.2 131.8 39.5 27.2 17.7 5 304 A Q E +AB 154 224A 38 219,-3.0 218,-3.4 -2,-0.4 219,-1.5 -0.903 28.8 171.1-101.4 134.2 42.8 25.3 17.9 6 305 A Y E -AB 153 222A 9 147,-2.6 147,-2.7 -2,-0.5 2,-0.5 -0.906 35.1-124.8-144.0 163.0 43.6 23.7 14.6 7 306 A X E -AB 152 221A 0 214,-2.3 214,-2.8 -2,-0.3 2,-0.3 -0.971 24.0-155.3-114.5 117.2 46.3 21.8 12.6 8 307 A E E -A 151 0A 12 143,-2.8 143,-2.2 -2,-0.5 2,-0.4 -0.646 7.8-146.6 -87.6 146.6 47.3 23.3 9.2 9 308 A L E -A 150 0A 1 210,-0.5 2,-0.7 -2,-0.3 141,-0.2 -0.958 22.9-110.7-120.4 135.9 48.8 20.9 6.6 10 309 A N + 0 0 21 139,-2.9 8,-0.4 -2,-0.4 9,-0.2 -0.540 45.5 159.6 -73.9 106.9 51.4 22.1 4.1 11 310 A Q + 0 0 9 167,-3.0 -1,-0.2 -2,-0.7 5,-0.1 0.083 38.4 110.4-110.6 15.3 49.7 22.1 0.7 12 311 A R + 0 0 80 165,-0.1 2,-0.2 134,-0.1 -1,-0.1 0.900 63.5 68.9 -62.4 -43.6 52.3 24.5 -1.0 13 312 A D S > S- 0 0 92 -3,-0.2 3,-1.9 1,-0.1 6,-0.2 -0.570 80.0-131.8 -85.6 138.9 53.8 21.9 -3.3 14 313 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 5,-0.0 0.833 111.3 42.1 -55.4 -35.3 51.9 20.4 -6.3 15 314 A K T 3 S+ 0 0 172 3,-0.0 -1,-0.3 4,-0.0 -3,-0.1 0.261 82.3 132.9 -99.4 10.1 53.0 16.9 -5.2 16 315 A S X - 0 0 11 -3,-1.9 3,-1.7 1,-0.2 4,-0.2 -0.414 59.1-136.7 -59.4 134.4 52.5 17.5 -1.5 17 316 A P G > S+ 0 0 31 0, 0.0 3,-1.9 0, 0.0 6,-0.2 0.839 102.0 67.7 -60.4 -28.9 50.6 14.5 -0.0 18 317 A F G 3 S+ 0 0 5 -8,-0.4 -7,-0.1 1,-0.3 6,-0.1 0.594 81.7 72.7 -72.2 -9.4 48.6 17.0 1.9 19 318 A R G < S+ 0 0 113 -3,-1.7 2,-0.7 -6,-0.2 -1,-0.3 0.526 78.7 94.1 -75.8 -5.9 46.9 18.3 -1.3 20 319 A N <> - 0 0 17 -3,-1.9 4,-1.9 -4,-0.2 3,-0.4 -0.796 68.3-154.8 -89.7 117.9 45.0 15.0 -1.3 21 320 A A H > S+ 0 0 30 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.855 92.4 58.1 -62.8 -35.6 41.7 15.5 0.4 22 321 A N H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 106.3 48.9 -63.3 -36.3 41.4 11.8 1.4 23 322 A L H > S+ 0 0 0 -3,-0.4 4,-2.5 -6,-0.2 -2,-0.2 0.925 109.9 50.9 -65.4 -45.1 44.7 12.0 3.3 24 323 A R H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.930 113.4 45.9 -59.1 -41.3 43.5 15.2 5.1 25 324 A K H X S+ 0 0 52 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.885 108.5 55.3 -65.2 -41.3 40.3 13.3 6.1 26 325 A A H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.927 109.1 49.3 -60.0 -40.3 42.2 10.2 7.1 27 326 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.958 113.0 45.8 -61.9 -50.6 44.2 12.4 9.5 28 327 A S H >< S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.914 109.8 54.5 -61.1 -41.5 41.1 14.0 10.9 29 328 A Y H 3< S+ 0 0 31 -4,-3.1 48,-2.5 1,-0.3 52,-0.3 0.721 101.3 61.4 -63.1 -21.2 39.3 10.6 11.3 30 329 A S T << S+ 0 0 2 -4,-1.0 2,-0.6 -3,-0.9 -1,-0.3 0.494 86.4 85.0 -87.2 -3.5 42.2 9.3 13.4 31 330 A I < - 0 0 0 -3,-1.6 2,-1.4 -4,-0.3 3,-0.1 -0.890 67.1-147.4-110.6 116.0 41.9 11.8 16.2 32 331 A D > - 0 0 46 -2,-0.6 4,-2.1 1,-0.2 5,-0.1 -0.658 17.5-176.9 -78.8 93.3 39.5 11.1 19.1 33 332 A R H > S+ 0 0 5 -2,-1.4 4,-2.7 2,-0.2 5,-0.2 0.812 79.4 57.9 -63.9 -34.4 38.6 14.8 19.9 34 333 A K H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.952 109.5 43.8 -61.5 -48.6 36.4 13.7 22.9 35 334 A A H >>S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-2.0 0.900 111.9 55.3 -61.4 -41.1 39.4 11.9 24.5 36 335 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 3,-0.2 6,-0.3 0.960 116.7 34.6 -58.8 -50.4 41.6 14.9 23.7 37 336 A V H <>S+ 0 0 7 -4,-2.7 5,-2.4 3,-0.2 6,-0.4 0.895 127.0 37.1 -75.4 -32.5 39.4 17.4 25.4 38 337 A E H <5S+ 0 0 121 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.787 131.8 18.7 -91.2 -32.8 38.2 15.1 28.3 39 338 A S T <5S+ 0 0 99 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.769 130.5 37.0-108.3 -39.9 41.2 13.0 29.2 40 339 A I T - 0 0 1 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.245 29.0-115.4 -58.6 148.3 33.3 28.2 17.0 54 353 A A T 3 S+ 0 0 19 1,-0.2 -52,-0.0 2,-0.1 11,-0.0 -0.437 94.6 27.1 -74.7 156.4 29.9 27.2 18.3 55 354 A D T 3 S+ 0 0 133 2,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.800 100.6 93.9 59.9 33.4 27.7 29.6 20.4 56 355 A X S < S+ 0 0 30 -3,-0.5 2,-0.4 1,-0.3 -2,-0.1 0.751 77.0 35.3-118.2 -49.2 29.4 32.6 18.9 57 356 A A - 0 0 6 -4,-0.4 9,-3.1 104,-0.0 2,-0.4 -0.941 62.7-154.1-120.4 136.6 27.4 33.9 15.9 58 357 A K B -F 65 0B 161 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.856 33.0 -95.1-110.4 140.5 23.7 34.1 15.3 59 358 A D - 0 0 18 5,-3.0 142,-0.1 -2,-0.4 -1,-0.1 -0.180 35.3-124.9 -46.7 134.2 21.7 34.1 12.0 60 359 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 141,-0.1 0.558 105.4 32.5 -69.5 -6.5 20.9 37.8 11.1 61 360 A S S S+ 0 0 85 139,-0.1 2,-0.1 3,-0.1 -2,-0.0 0.764 126.6 18.8-112.6 -48.9 17.1 37.1 10.8 62 361 A G S S- 0 0 35 2,-0.1 -1,-0.0 0, 0.0 -4,-0.0 -0.307 89.4 -92.0-107.8-163.9 16.4 34.4 13.4 63 362 A G S S+ 0 0 69 -2,-0.1 2,-0.3 -5,-0.1 0, 0.0 0.023 70.6 138.6-102.9 29.5 18.2 33.1 16.5 64 363 A K - 0 0 97 1,-0.1 -5,-3.0 -5,-0.1 2,-0.2 -0.557 51.9-122.4 -91.4 136.5 20.2 30.3 14.9 65 364 A D B > -F 58 0B 13 -2,-0.3 4,-2.4 -7,-0.2 -7,-0.2 -0.487 14.0-133.0 -72.7 137.8 23.7 29.5 15.7 66 365 A F H > S+ 0 0 0 -9,-3.1 4,-2.3 1,-0.2 5,-0.2 0.909 107.0 48.6 -51.8 -50.0 26.2 29.5 12.8 67 366 A A H > S+ 0 0 2 -14,-0.3 4,-1.6 -10,-0.3 -1,-0.2 0.898 111.4 49.3 -63.8 -39.3 27.8 26.2 13.9 68 367 A K H 4 S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.916 113.2 47.1 -64.7 -42.5 24.4 24.5 14.2 69 368 A E H < S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 113.3 48.3 -65.2 -38.0 23.3 25.8 10.8 70 369 A A H < S- 0 0 12 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.816 99.3-151.7 -71.1 -29.4 26.6 24.7 9.2 71 370 A G < - 0 0 33 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.1 -0.232 21.1 -81.4 72.2-178.0 26.5 21.2 10.7 72 371 A S + 0 0 52 -4,-0.1 -22,-0.1 1,-0.1 -23,-0.1 -0.987 31.3 178.2-126.2 136.4 29.6 19.2 11.5 73 372 A Q + 0 0 91 -24,-0.4 2,-0.6 -2,-0.4 -23,-0.1 0.143 54.0 112.9-113.7 17.0 31.8 17.1 9.2 74 373 A I + 0 0 17 -25,-0.6 2,-0.3 -26,-0.1 -45,-0.0 -0.812 41.0 164.3 -93.8 120.3 34.3 16.2 12.0 75 374 A E - 0 0 96 -2,-0.6 2,-0.5 2,-0.1 -44,-0.3 -0.963 34.7-141.7-132.3 149.8 34.2 12.5 13.0 76 375 A Y + 0 0 110 -2,-0.3 2,-0.2 -46,-0.1 -46,-0.2 -0.977 44.2 137.1-107.7 120.0 36.4 10.2 14.9 77 376 A D > - 0 0 58 -48,-2.5 4,-2.5 -2,-0.5 5,-0.1 -0.665 33.3-168.0-163.2 103.6 36.5 6.8 13.2 78 377 A T H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.786 90.9 59.6 -73.1 -23.7 39.7 4.8 12.8 79 378 A K H > S+ 0 0 173 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 111.3 42.4 -61.8 -46.6 38.0 2.3 10.4 80 379 A K H > S+ 0 0 87 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.890 109.3 58.1 -65.3 -39.2 37.3 5.3 8.2 81 380 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -52,-0.3 -2,-0.2 0.946 109.2 45.6 -53.6 -48.5 40.8 6.7 8.8 82 381 A K H X S+ 0 0 81 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 112.7 50.1 -60.8 -43.4 42.3 3.5 7.4 83 382 A E H X S+ 0 0 96 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 111.9 47.2 -64.0 -45.0 39.9 3.4 4.4 84 383 A Y H X S+ 0 0 38 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.861 109.8 53.0 -67.8 -34.3 40.7 7.0 3.5 85 384 A W H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.911 106.7 53.2 -67.6 -38.7 44.4 6.5 3.8 86 385 A E H X S+ 0 0 83 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.909 110.3 47.8 -58.0 -41.2 44.1 3.5 1.5 87 386 A K H X S+ 0 0 72 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.922 111.2 50.8 -63.6 -46.5 42.4 5.8 -1.0 88 387 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.902 106.8 54.2 -58.9 -43.9 45.1 8.5 -0.6 89 388 A K H X>S+ 0 0 44 -4,-2.8 5,-1.4 2,-0.2 4,-1.4 0.889 111.9 44.6 -56.0 -42.3 47.9 5.9 -1.2 90 389 A K H <5S+ 0 0 161 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.955 116.7 44.5 -69.3 -46.5 46.3 4.9 -4.5 91 390 A E H <5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.889 121.1 38.5 -64.9 -43.1 45.6 8.5 -5.7 92 391 A L H <5S- 0 0 53 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.669 102.6-129.1 -81.6 -20.8 49.0 9.8 -4.7 93 392 A G T <5 + 0 0 66 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.896 62.8 131.5 67.8 42.3 50.9 6.8 -5.7 94 393 A I < - 0 0 56 -5,-1.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.880 46.3-165.5-124.0 158.4 52.7 6.5 -2.4 95 394 A S S S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.484 74.5 20.9-110.9 -12.5 53.3 3.7 0.1 96 395 A T - 0 0 80 -7,-0.1 2,-0.3 2,-0.0 31,-0.2 -0.952 56.3-155.6-156.7 157.6 54.5 5.6 3.1 97 396 A L E -d 127 0A 16 29,-2.5 31,-2.6 -2,-0.3 2,-0.5 -0.959 3.0-171.3-146.9 134.0 54.4 9.0 4.8 98 397 A T E +d 128 0A 87 -2,-0.3 2,-0.4 29,-0.2 31,-0.2 -0.997 21.9 175.4-121.3 121.6 56.7 10.6 7.4 99 398 A X E -d 129 0A 0 29,-2.4 31,-2.3 -2,-0.5 2,-0.4 -0.993 21.8-147.5-133.5 140.9 55.3 13.8 8.7 100 399 A D E -d 130 0A 19 -2,-0.4 50,-2.3 29,-0.2 49,-0.8 -0.842 8.9-148.3-103.6 140.3 56.4 16.3 11.3 101 400 A I E -de 131 150A 0 29,-2.4 31,-2.8 -2,-0.4 2,-0.3 -0.933 11.3-153.4-108.9 114.4 54.0 18.3 13.5 102 401 A L E +de 132 151A 0 48,-3.4 50,-2.6 -2,-0.6 2,-0.3 -0.636 30.2 155.6 -78.9 137.6 55.3 21.7 14.4 103 402 A S E -d 133 0A 1 29,-2.1 31,-2.6 -2,-0.3 2,-0.1 -0.941 45.3 -77.2-151.3 174.9 53.8 23.1 17.7 104 403 A S E -d 134 0A 22 -2,-0.3 9,-0.2 29,-0.2 28,-0.0 -0.445 31.5-136.6 -67.1 151.3 54.1 25.3 20.7 105 404 A D + 0 0 71 29,-0.9 -1,-0.1 28,-0.2 5,-0.0 0.249 64.5 127.2 -92.4 9.4 56.4 24.0 23.5 106 405 A A S > S- 0 0 42 28,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.254 74.7-110.3 -59.1 152.4 53.8 25.1 26.0 107 406 A D H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.937 116.7 40.8 -56.8 -50.5 52.8 22.4 28.4 108 407 A S H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 113.5 55.8 -67.1 -30.6 49.2 21.8 27.1 109 408 A S H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 105.7 51.3 -69.1 -37.9 50.5 22.2 23.6 110 409 A K H X S+ 0 0 95 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 110.4 48.3 -63.3 -42.6 53.0 19.4 24.1 111 410 A K H X S+ 0 0 98 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.897 113.1 49.2 -66.3 -36.6 50.3 17.1 25.5 112 411 A T H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.952 112.3 46.3 -63.1 -49.4 48.0 17.9 22.5 113 412 A V H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.876 111.5 52.3 -66.1 -36.2 50.8 17.2 20.0 114 413 A E H X S+ 0 0 118 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.907 111.9 46.0 -61.3 -44.7 51.8 14.0 21.7 115 414 A F H X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 115.1 46.9 -66.8 -43.3 48.2 12.7 21.6 116 415 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.931 112.5 49.5 -64.6 -45.5 47.8 13.8 17.9 117 416 A Q H X S+ 0 0 47 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.934 113.7 45.9 -56.8 -50.0 51.1 12.2 16.9 118 417 A G H X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.895 112.4 51.4 -62.1 -41.1 50.2 8.9 18.6 119 418 A S H X S+ 0 0 21 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.939 114.6 40.2 -63.2 -49.3 46.7 8.9 17.2 120 419 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.956 117.7 48.0 -64.8 -50.3 47.7 9.4 13.6 121 420 A Q H < S+ 0 0 76 -4,-2.3 6,-0.3 -5,-0.3 -2,-0.2 0.917 114.5 46.2 -57.8 -45.0 50.7 7.1 13.8 122 421 A D H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.907 115.1 45.2 -67.2 -41.6 48.8 4.3 15.4 123 422 A A H < S+ 0 0 3 -4,-2.1 2,-0.7 -5,-0.2 -1,-0.2 0.832 106.5 60.7 -73.7 -33.8 45.8 4.5 13.1 124 423 A L S >< S- 0 0 2 -4,-2.2 3,-1.9 -5,-0.2 2,-0.3 -0.841 75.7-143.4-110.1 107.7 47.6 4.7 9.7 125 424 A D T 3 S+ 0 0 118 -2,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.514 90.8 24.5 -70.7 126.5 49.8 1.8 8.8 126 425 A G T 3 S+ 0 0 41 -2,-0.3 -29,-2.5 1,-0.3 2,-0.5 0.413 97.5 111.7 96.6 -0.0 52.9 3.2 6.9 127 426 A V E < -d 97 0A 10 -3,-1.9 2,-0.4 -6,-0.3 -1,-0.3 -0.932 43.8-173.3-107.7 128.5 52.6 6.7 8.5 128 427 A K E -d 98 0A 115 -31,-2.6 -29,-2.4 -2,-0.5 2,-0.4 -0.954 7.3-161.5-116.9 137.4 55.3 7.8 10.9 129 428 A V E -d 99 0A 1 -2,-0.4 2,-0.2 -31,-0.2 -29,-0.2 -0.984 7.8-175.4-126.3 130.3 54.8 11.1 12.8 130 429 A T E -d 100 0A 49 -31,-2.3 -29,-2.4 -2,-0.4 2,-0.4 -0.692 15.5-137.4-110.8 168.4 57.4 13.2 14.6 131 430 A V E -d 101 0A 46 -2,-0.2 -29,-0.2 -31,-0.2 -31,-0.0 -0.978 12.1-167.5-131.3 146.8 56.9 16.4 16.6 132 431 A S E -d 102 0A 29 -31,-2.8 -29,-2.1 -2,-0.4 2,-0.4 -0.760 8.7-171.7-132.4 84.8 58.8 19.7 16.9 133 432 A P E +d 103 0A 50 0, 0.0 -29,-0.2 0, 0.0 -28,-0.2 -0.670 22.1 161.6 -77.5 129.3 57.7 21.8 19.9 134 433 A V E -d 104 0A 20 -31,-2.6 -29,-0.9 -2,-0.4 -28,-0.2 -0.930 40.3 -84.6-143.6 162.2 59.3 25.3 19.6 135 434 A P > - 0 0 66 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.224 50.1 -98.0 -68.3 163.1 59.0 28.8 21.0 136 435 A F H > S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 118.4 49.9 -51.7 -51.5 56.5 31.3 19.4 137 436 A S H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 113.6 47.9 -65.0 -33.0 58.9 33.3 17.2 138 437 A V H > S+ 0 0 59 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.918 111.4 49.2 -68.0 -46.0 60.3 30.1 15.7 139 438 A R H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 113.3 48.4 -58.9 -41.5 56.8 28.6 15.1 140 439 A L H X S+ 0 0 65 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.938 113.1 46.2 -65.0 -48.2 55.7 31.8 13.4 141 440 A D H X S+ 0 0 72 -4,-2.2 4,-2.3 -5,-0.2 6,-0.2 0.939 115.3 45.0 -61.1 -48.4 58.8 32.0 11.2 142 441 A R H X>S+ 0 0 70 -4,-2.8 5,-2.0 1,-0.2 4,-0.9 0.871 111.3 54.9 -64.2 -36.0 58.6 28.4 10.1 143 442 A S H ><5S+ 0 0 6 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.920 110.6 45.3 -64.2 -43.3 54.9 28.6 9.5 144 443 A N H 3<5S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.940 115.9 45.0 -65.5 -45.1 55.3 31.6 7.2 145 444 A K H 3<5S- 0 0 127 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.507 111.4-116.4 -81.8 -2.2 58.1 30.1 5.3 146 445 A G T <<5 + 0 0 11 -4,-0.9 2,-1.9 -3,-0.5 -3,-0.2 0.669 63.1 148.1 77.3 17.5 56.5 26.6 4.9 147 446 A D < + 0 0 87 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.448 52.4 67.4 -82.9 64.1 59.2 24.8 7.0 148 447 A F - 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0 0 84 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.922 64.5-162.4-104.7 107.8 22.7 41.8 1.9 200 499 A P H > S+ 0 0 76 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.775 86.9 54.2 -65.7 -26.9 23.1 40.2 5.3 201 500 A E H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.896 111.3 44.4 -75.2 -37.9 21.2 37.1 4.4 202 501 A K H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 113.1 52.8 -67.4 -40.3 23.3 36.4 1.3 203 502 A R H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 109.2 49.4 -61.6 -42.0 26.4 37.2 3.4 204 503 A W H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.933 111.7 47.7 -61.3 -46.1 25.3 34.7 6.0 205 504 A D H X S+ 0 0 87 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.880 110.2 53.1 -65.7 -36.3 24.7 32.0 3.4 206 505 A D H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.924 110.7 47.0 -61.5 -43.1 28.1 32.7 1.8 207 506 A X H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.918 111.3 50.8 -68.2 -41.5 29.8 32.3 5.2 208 507 A L H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 111.0 49.5 -58.1 -44.7 27.9 29.0 5.8 209 508 A N H X S+ 0 0 56 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.869 108.9 52.7 -63.1 -36.8 28.9 27.8 2.4 210 509 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.954 110.6 46.9 -61.4 -50.7 32.6 28.7 3.1 211 510 A E H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.934 113.8 47.8 -56.3 -49.0 32.5 26.7 6.4 212 511 A K H X S+ 0 0 91 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.819 111.1 53.1 -65.2 -29.3 30.9 23.7 4.7 213 512 A T H X S+ 0 0 28 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.968 111.6 41.5 -71.6 -50.4 33.4 23.9 1.9 214 513 A I H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 6,-0.4 0.875 119.1 46.2 -67.9 -33.3 36.6 23.8 4.0 215 514 A X H ><5S+ 0 0 6 -4,-2.3 3,-0.5 -5,-0.3 -1,-0.2 0.853 107.6 59.3 -73.7 -30.0 35.1 21.2 6.3 216 515 A G H 3<5S+ 0 0 26 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.793 119.6 26.8 -69.9 -30.4 34.0 19.2 3.3 217 516 A D T 3<5S- 0 0 30 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.205 106.6-126.0-112.3 15.6 37.5 18.8 1.9 218 517 A X T < 5 + 0 0 7 -3,-0.5 -3,-0.2 -4,-0.2 -4,-0.1 0.879 41.4 171.7 42.0 58.3 39.1 19.1 5.4 219 518 A G S