==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DRUG-BINDING PROTEIN 23-DEC-06 2JCH . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 1B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR P.MACHEBOEUF,D.S.FISHER,T.J.BROWN,A.ZERVOSEN,A.LUXEN, . 461 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 0 1 2 1 0 0 1 3 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 5 2 0 2 0 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 . 3 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 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 1 106 A S 0 0 38 0, 0.0 13,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 126.8 21.2 24.1 51.0 2 107 A E E -Ab 13 63A 68 60,-3.0 62,-3.9 11,-0.2 2,-0.5 -0.957 360.0-131.3-138.4 166.8 23.8 24.8 48.2 3 108 A I E -Ab 12 64A 0 9,-2.7 8,-2.8 -2,-0.3 9,-1.4 -0.942 26.6-173.2-108.1 124.9 25.5 27.2 45.7 4 109 A T E -Ab 10 65A 4 60,-3.0 62,-2.7 -2,-0.5 6,-0.2 -0.797 23.8-116.8-110.6 156.4 25.8 26.4 42.0 5 110 A Y > - 0 0 32 4,-2.4 3,-2.8 -2,-0.3 64,-0.2 -0.453 50.5 -87.6 -75.8 165.4 27.6 28.1 39.1 6 111 A S T 3 S+ 0 0 59 62,-2.5 63,-0.1 1,-0.3 -1,-0.1 0.704 127.6 59.6 -48.0 -34.4 25.4 29.4 36.3 7 112 A D T 3 S- 0 0 96 61,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.472 121.9-103.7 -75.7 -3.3 25.5 26.0 34.4 8 113 A G S < S+ 0 0 43 -3,-2.8 -2,-0.1 1,-0.3 3,-0.1 0.115 75.2 144.1 97.1 -19.5 23.9 24.4 37.5 9 114 A T - 0 0 62 1,-0.1 -4,-2.4 -5,-0.1 2,-0.4 -0.184 58.0-101.8 -55.4 141.3 27.2 22.8 38.6 10 115 A V E +A 4 0A 74 -6,-0.2 -6,-0.3 1,-0.2 -1,-0.1 -0.445 34.3 178.3 -74.5 118.1 27.8 22.6 42.4 11 116 A I E - 0 0 34 -8,-2.8 2,-0.2 -2,-0.4 -7,-0.2 0.961 65.3 -68.1 -67.2 -59.6 30.2 25.2 43.8 12 117 A A E -A 3 0A 36 -9,-1.4 -9,-2.7 7,-0.1 -1,-0.3 -0.952 43.6 -99.7-176.0 171.9 29.6 23.7 47.5 13 118 A S E A 2 0A 79 -2,-0.2 -11,-0.2 -11,-0.2 45,-0.1 -0.717 360.0 360.0-103.3 167.5 27.1 23.3 50.3 14 119 A I 0 0 43 -13,-1.7 -1,-0.2 -2,-0.2 44,-0.1 0.858 360.0 360.0 -94.1 360.0 26.7 25.4 53.5 15 ! 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 16 337 A D > 0 0 120 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -16.6 37.2 30.1 48.4 17 338 A Y H > + 0 0 13 2,-0.2 4,-2.7 1,-0.1 5,-0.3 0.784 360.0 63.6 -59.9 -33.3 36.4 33.8 47.8 18 339 A L H > S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.954 103.9 42.3 -62.4 -52.1 33.7 32.4 45.5 19 340 A Y H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 117.3 46.5 -55.1 -50.8 31.8 30.6 48.3 20 341 A F H X S+ 0 0 98 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.904 112.3 49.4 -65.2 -38.3 32.1 33.6 50.8 21 342 A T H X S+ 0 0 15 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.879 114.8 45.3 -72.5 -36.0 31.1 36.2 48.3 22 343 A T H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.908 112.1 48.4 -70.9 -48.8 28.1 34.2 47.2 23 344 A L H X S+ 0 0 20 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.931 109.5 55.1 -57.6 -47.5 26.8 33.2 50.7 24 345 A A H X S+ 0 0 41 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.903 110.0 45.5 -49.1 -50.4 27.1 36.9 51.8 25 346 A E H X S+ 0 0 28 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.813 112.5 50.6 -63.4 -35.2 24.9 38.0 49.0 26 347 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.942 110.3 49.8 -68.6 -44.0 22.3 35.3 49.6 27 348 A Q H X S+ 0 0 56 -4,-2.9 4,-2.8 1,-0.3 -2,-0.2 0.814 108.4 51.8 -64.1 -38.3 22.2 36.1 53.2 28 349 A E H X S+ 0 0 91 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.795 108.8 54.5 -62.7 -32.6 21.6 39.8 52.3 29 350 A R H X S+ 0 0 70 -4,-1.2 4,-1.6 -3,-0.2 -2,-0.2 0.973 112.4 40.9 -63.7 -56.8 18.8 38.5 50.0 30 351 A M H X S+ 0 0 15 -4,-2.5 4,-3.4 1,-0.2 3,-0.4 0.940 111.4 56.1 -53.5 -59.9 17.1 36.7 52.8 31 352 A Y H X S+ 0 0 39 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.852 106.2 50.7 -45.1 -46.6 17.6 39.4 55.4 32 353 A D H < S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.7 43.4 -62.6 -39.5 15.9 42.0 53.2 33 354 A Y H >< S+ 0 0 124 -4,-1.6 3,-1.6 -3,-0.4 -2,-0.2 0.949 106.8 58.8 -65.5 -54.6 13.0 39.7 52.9 34 355 A L H >X S+ 0 0 0 -4,-3.4 3,-1.3 1,-0.3 4,-0.5 0.793 82.9 79.2 -48.6 -36.0 12.9 38.6 56.6 35 356 A A T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.353 114.1 25.4 -56.6 9.1 12.4 42.3 57.4 36 357 A Q T <4 S+ 0 0 113 -3,-1.6 -1,-0.3 -5,-0.1 4,-0.2 -0.001 100.2 77.2-163.5 62.4 8.9 40.9 56.2 37 358 A R T <4 S+ 0 0 93 -3,-1.3 2,-1.5 0, 0.0 3,-0.1 0.604 96.5 49.1-117.9 -50.5 8.2 37.0 56.6 38 359 A D S < S- 0 0 75 -4,-0.5 2,-1.8 1,-0.2 -4,-0.0 -0.256 132.8-102.1 -73.2 45.5 7.5 36.7 60.4 39 360 A N S S+ 0 0 141 -2,-1.5 -1,-0.2 -3,-0.1 0, 0.0 -0.559 75.8 159.8 36.7 -68.7 5.4 39.6 59.0 40 361 A V - 0 0 25 -2,-1.8 2,-0.2 -4,-0.2 -5,-0.1 0.479 19.4-171.7 66.0 158.6 8.0 42.0 60.6 41 362 A S 0 0 102 1,-0.1 -2,-0.0 -7,-0.0 -1,-0.0 -0.627 360.0 360.0-149.5-146.2 8.8 45.7 59.9 42 363 A A 0 0 153 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.424 360.0 360.0-136.0 360.0 11.0 48.8 60.4 43 ! 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 44 370 A A 0 0 127 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.0 21.3 48.0 66.3 45 371 A T + 0 0 103 2,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.633 360.0 95.4-151.5 96.2 18.8 45.0 66.2 46 372 A Q > + 0 0 88 -2,-0.1 2,-4.3 0, 0.0 3,-1.3 0.617 65.7 77.2 67.6-171.8 19.0 44.5 63.2 47 373 A K T 3> S+ 0 0 125 1,-0.3 4,-0.8 -2,-0.2 -2,-0.1 0.076 88.9 61.0 49.9 -54.2 21.7 41.9 64.1 48 374 A F H >> S+ 0 0 120 -2,-4.3 4,-2.9 2,-0.2 3,-0.5 0.941 108.6 43.7 -56.4 -56.4 18.9 39.5 65.3 49 375 A Y H <> S+ 0 0 50 -3,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.748 110.0 55.2 -63.3 -28.9 17.6 39.7 61.6 50 376 A R H 3> S+ 0 0 101 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.810 115.4 40.4 -68.9 -31.6 21.1 39.3 60.2 51 377 A D H X S+ 0 0 21 -4,-2.9 4,-2.9 2,-0.2 3,-0.7 0.901 108.4 53.3 -42.2 -56.5 18.1 34.9 61.7 53 379 A A H 3X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.855 106.7 49.3 -53.8 -46.0 19.0 35.2 57.9 54 380 A A H 3X S+ 0 0 31 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.652 115.1 45.9 -66.7 -22.1 22.2 33.1 58.1 55 381 A K H - 0 0 47 40,-0.9 4,-2.5 -2,-0.2 5,-0.2 -0.675 12.2-149.0 -70.7 122.4 30.4 31.5 34.7 70 396 A Q H > S+ 0 0 55 -2,-0.5 4,-2.0 2,-0.2 5,-0.2 0.879 88.7 42.1 -71.6 -47.1 32.4 28.5 35.7 71 397 A K H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.916 119.3 47.8 -65.9 -41.1 35.0 28.1 32.9 72 398 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.939 110.4 50.7 -61.7 -49.0 35.6 31.9 32.9 73 399 A H H X S+ 0 0 9 -4,-2.5 4,-2.1 36,-0.4 -2,-0.2 0.899 113.3 44.2 -63.3 -40.8 35.9 32.2 36.7 74 400 A S H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.833 109.8 55.1 -74.8 -32.8 38.5 29.4 36.9 75 401 A A H X S+ 0 0 19 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.923 108.8 50.2 -58.5 -43.1 40.5 30.7 33.9 76 402 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.863 108.7 51.1 -65.2 -41.1 40.6 34.0 35.9 77 403 A Q H X S+ 0 0 59 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.881 112.3 47.3 -55.7 -45.0 41.9 32.1 39.0 78 404 A S H X S+ 0 0 60 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.878 107.0 57.0 -67.9 -41.7 44.6 30.5 36.9 79 405 A A H X S+ 0 0 4 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.940 108.6 46.2 -54.1 -50.3 45.6 33.9 35.3 80 406 A V H X S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.864 116.8 44.6 -60.8 -37.5 46.3 35.4 38.7 81 407 A A H < S+ 0 0 74 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.942 121.1 40.1 -66.0 -54.7 48.3 32.3 39.8 82 408 A D H < S+ 0 0 102 -4,-3.8 -2,-0.2 1,-0.1 -3,-0.2 0.870 133.9 18.1 -58.0 -37.3 50.1 32.2 36.5 83 409 A Y H >< S+ 0 0 85 -4,-3.0 3,-2.1 -5,-0.3 4,-0.3 0.497 84.1 102.2-129.7 -2.9 50.7 36.0 36.1 84 410 A G G >< S+ 0 0 1 -4,-1.7 3,-1.8 -5,-0.3 4,-0.4 0.779 75.1 73.1 -50.6 -25.1 50.2 37.9 39.3 85 411 A Y G > S+ 0 0 141 1,-0.3 3,-0.8 -4,-0.2 -1,-0.3 0.760 80.7 72.6 -67.7 -19.2 54.1 38.1 39.5 86 412 A L G < S+ 0 0 28 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.854 92.7 56.9 -59.2 -28.0 53.9 40.6 36.7 87 413 A L G < S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.725 81.8 102.8 -75.9 -26.7 52.5 43.0 39.4 88 414 A D < + 0 0 63 -3,-0.8 5,-0.1 -4,-0.4 -3,-0.0 -0.362 36.0 163.1 -68.8 134.6 55.5 42.8 41.8 89 415 A D - 0 0 37 3,-0.4 -1,-0.1 -2,-0.1 272,-0.1 0.142 64.4 -83.3-144.4 19.1 57.8 45.7 41.6 90 416 A G S S+ 0 0 81 2,-0.2 3,-0.1 269,-0.1 -2,-0.1 0.825 104.8 96.9 82.9 32.9 60.0 45.7 44.7 91 417 A T S S- 0 0 40 1,-0.5 2,-0.3 265,-0.0 265,-0.1 0.140 92.7 -91.4-134.0 9.9 57.6 47.5 47.1 92 418 A G S S- 0 0 51 2,-0.1 2,-0.7 260,-0.0 -1,-0.5 -0.690 80.2 -9.1 105.9-160.9 56.1 44.5 48.9 93 419 A R - 0 0 136 -2,-0.3 2,-0.8 -3,-0.1 260,-0.4 -0.627 60.6-154.1 -87.3 117.4 53.1 42.4 48.2 94 420 A V - 0 0 0 -2,-0.7 258,-0.2 258,-0.1 -7,-0.1 -0.818 14.4-155.6 -88.3 113.9 51.0 44.0 45.5 95 421 A E E -E 351 0B 6 256,-3.3 256,-1.3 -2,-0.8 2,-0.3 -0.300 7.3-157.9 -84.3 171.0 47.4 43.0 45.9 96 422 A V E -E 350 0B 0 254,-0.2 28,-0.4 17,-0.1 2,-0.3 -0.993 13.3-170.9-152.0 146.5 44.8 42.9 43.2 97 423 A G E +E 349 0B 0 252,-1.7 252,-1.9 -2,-0.3 2,-0.3 -0.991 12.3 177.1-137.8 139.2 41.0 42.9 42.7 98 424 A N E -EF 348 112B 0 14,-2.9 14,-2.2 -2,-0.3 2,-0.4 -0.983 11.2-168.9-142.1 148.3 39.0 42.3 39.4 99 425 A V E -EF 347 111B 0 248,-1.1 248,-1.9 -2,-0.3 2,-0.5 -0.963 6.5-160.3-135.2 121.9 35.5 42.1 38.4 100 426 A L E -EF 346 110B 0 10,-2.3 9,-2.4 -2,-0.4 10,-1.0 -0.886 22.2-178.3-101.0 122.8 34.0 40.9 35.0 101 427 A M E -EF 345 108B 0 244,-1.9 244,-1.2 -2,-0.5 2,-0.5 -0.922 30.1-119.3-128.3 140.7 30.5 42.1 34.4 102 428 A D E > -E 344 0B 34 5,-2.9 4,-2.4 -2,-0.4 3,-0.3 -0.715 19.0-150.3 -79.8 123.0 27.9 41.6 31.7 103 429 A N T 4 S+ 0 0 0 240,-2.7 -1,-0.1 -2,-0.5 241,-0.1 0.704 92.1 47.4 -64.5 -29.1 27.1 44.9 30.2 104 430 A Q T 4 S+ 0 0 124 239,-0.4 -1,-0.2 3,-0.1 240,-0.1 0.749 126.9 21.3 -84.8 -22.0 23.4 44.0 29.3 105 431 A T T 4 S- 0 0 58 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.704 90.0-123.6-119.4 -35.9 22.4 42.4 32.6 106 432 A G < + 0 0 0 -4,-2.4 152,-0.9 1,-0.3 2,-0.2 0.326 62.2 146.3 89.8 -0.7 24.7 43.6 35.4 107 433 A A B -j 258 0C 8 150,-0.2 -5,-2.9 -5,-0.1 2,-0.6 -0.444 48.1-130.5 -70.1 138.7 25.6 40.0 36.2 108 434 A I E -F 101 0B 2 150,-2.0 -7,-0.3 -7,-0.2 -41,-0.2 -0.755 22.0-176.8 -94.9 125.7 29.1 39.2 37.4 109 435 A L E - 0 0 17 -9,-2.4 -40,-0.9 -2,-0.6 -36,-0.4 0.591 63.6 -17.6 -93.6 -15.0 30.8 36.3 35.5 110 436 A G E -F 100 0B 0 -10,-1.0 -10,-2.3 -42,-0.1 2,-0.3 -0.951 59.5-167.1 178.1 159.2 34.1 35.9 37.3 111 437 A F E -F 99 0B 1 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.987 21.8-132.1-160.3 157.8 36.3 37.9 39.7 112 438 A V E -F 98 0B 0 -14,-2.2 -14,-2.9 -2,-0.3 3,-0.1 -0.983 17.3-176.7-114.4 118.4 39.8 38.0 41.2 113 439 A G - 0 0 0 -2,-0.5 11,-2.8 1,-0.3 2,-0.3 0.642 61.7 -48.2 -85.4 -18.8 39.6 38.5 44.9 114 440 A G - 0 0 1 9,-0.2 -1,-0.3 10,-0.1 3,-0.2 -0.955 67.9 -66.7 169.9 179.5 43.4 38.7 45.5 115 441 A R S S- 0 0 21 -2,-0.3 2,-0.2 1,-0.2 -31,-0.1 0.804 113.9 -12.8 -57.1 -40.2 46.8 37.2 44.7 116 442 A N >> - 0 0 52 4,-0.3 4,-1.0 -3,-0.1 3,-0.7 -0.697 53.1-150.6-172.2 108.0 46.2 33.9 46.8 117 443 A Y T 34 S+ 0 0 58 1,-0.2 3,-0.4 -3,-0.2 -2,-0.1 0.856 96.2 62.5 -61.9 -31.4 43.3 33.2 49.3 118 444 A Q T 34 S+ 0 0 157 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.910 111.5 35.0 -60.6 -41.0 45.4 30.9 51.3 119 445 A E T <4 S+ 0 0 146 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.589 134.4 14.6 -86.3 -14.2 48.0 33.5 52.2 120 446 A N < - 0 0 33 -4,-1.0 -4,-0.3 -3,-0.4 -1,-0.3 -0.841 55.0-164.4-173.3 119.7 45.5 36.5 52.6 121 447 A Q + 0 0 109 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.1 0.441 46.7 123.6 -97.4 -7.8 41.8 36.5 52.8 122 448 A N - 0 0 87 1,-0.1 2,-1.0 2,-0.1 -105,-0.1 -0.393 59.6-135.2 -61.6 122.3 40.9 40.1 52.1 123 449 A N >> - 0 0 9 -2,-0.2 4,-2.3 1,-0.1 5,-1.4 -0.731 22.1-176.1 -82.5 105.5 38.5 40.2 49.1 124 450 A H T 45S+ 0 0 0 -11,-2.8 114,-0.4 -2,-1.0 -1,-0.1 0.404 78.5 55.2 -82.3 -0.7 39.9 43.1 46.9 125 451 A A T 45S+ 0 0 0 -28,-0.1 114,-1.9 113,-0.1 115,-0.2 0.753 125.8 12.3 -98.5 -33.4 36.9 42.8 44.4 126 452 A F T 45S+ 0 0 42 -3,-0.2 -2,-0.2 112,-0.2 111,-0.1 0.530 129.1 36.4-126.7 -16.1 34.0 43.3 46.8 127 453 A D T <5S+ 0 0 111 -4,-2.3 -3,-0.2 112,-0.0 2,-0.1 0.795 89.4 77.2-111.4 -46.6 35.3 44.5 50.2 128 454 A T < - 0 0 28 -5,-1.4 110,-0.4 1,-0.0 2,-0.4 -0.489 62.4-153.0 -78.1 144.6 38.2 46.9 50.1 129 455 A K + 0 0 91 108,-0.2 2,-0.3 -2,-0.1 108,-0.2 -0.953 19.1 169.0-119.5 127.1 37.3 50.6 49.2 130 456 A R B -K 236 0D 27 106,-2.4 106,-3.3 -2,-0.4 204,-0.0 -0.954 44.5 -88.0-135.0 159.7 39.9 52.9 47.5 131 457 A S - 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