==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 13-NOV-11 3UMH . COMPND 2 MOLECULE: AMYLOID BETA A4 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.O.DAHMS,I.KONNIG,D.ROESER,K.H.GUHRS,M.E.THAN . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 89.4 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 81.1 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+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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 3 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 1 313 A H > 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -0.4 -52.6 -30.5 -8.1 2 314 A A H > + 0 0 75 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.890 360.0 59.4 -72.1 -39.6 -54.2 -28.3 -5.5 3 315 A H H > S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 110.7 43.7 -49.6 -45.1 -54.1 -25.6 -8.2 4 316 A F H > S+ 0 0 39 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.899 110.7 48.7 -71.3 -48.6 -56.2 -27.9 -10.3 5 317 A Q H X S+ 0 0 127 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.825 113.5 51.1 -64.5 -29.3 -58.7 -29.2 -7.7 6 318 A K H X S+ 0 0 118 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.937 112.4 43.9 -72.4 -46.6 -59.3 -25.6 -6.8 7 319 A A H X S+ 0 0 35 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.933 113.5 53.4 -61.9 -44.9 -59.8 -24.4 -10.4 8 320 A K H X S+ 0 0 110 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.941 109.6 46.8 -54.1 -53.3 -62.0 -27.5 -10.9 9 321 A E H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.886 113.5 48.7 -59.5 -40.2 -64.2 -26.7 -8.0 10 322 A R H X S+ 0 0 153 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.864 105.9 56.6 -69.0 -36.1 -64.6 -23.0 -9.0 11 323 A L H X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.923 109.7 47.4 -60.7 -42.5 -65.4 -24.0 -12.6 12 324 A E H X S+ 0 0 87 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.912 109.8 50.5 -64.6 -46.1 -68.3 -26.0 -11.2 13 325 A A H X S+ 0 0 52 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.863 111.3 51.0 -61.5 -36.0 -69.6 -23.3 -8.8 14 326 A K H X S+ 0 0 120 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.968 112.6 44.1 -65.0 -53.9 -69.5 -20.9 -11.8 15 327 A H H X S+ 0 0 28 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.898 112.8 52.1 -59.2 -41.9 -71.5 -23.2 -14.0 16 328 A R H X S+ 0 0 172 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.852 110.6 48.5 -65.5 -33.4 -74.0 -24.0 -11.2 17 329 A E H X S+ 0 0 114 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.894 112.7 47.6 -71.4 -41.0 -74.6 -20.3 -10.6 18 330 A R H X S+ 0 0 86 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.882 108.7 54.6 -67.5 -36.9 -75.1 -19.6 -14.3 19 331 A M H X S+ 0 0 33 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.821 107.2 52.7 -66.4 -29.7 -77.4 -22.6 -14.5 20 332 A S H X S+ 0 0 52 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.917 105.0 51.9 -72.0 -44.9 -79.5 -21.1 -11.6 21 333 A Q H X S+ 0 0 96 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.878 110.2 51.5 -59.8 -36.6 -79.9 -17.7 -13.3 22 334 A V H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.922 106.4 51.4 -68.0 -43.0 -81.2 -19.5 -16.4 23 335 A M H X S+ 0 0 94 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.789 113.7 47.0 -65.5 -25.0 -83.8 -21.5 -14.6 24 336 A R H X S+ 0 0 129 -4,-1.5 4,-2.2 2,-0.2 5,-0.3 0.970 109.9 49.4 -76.1 -60.5 -85.0 -18.3 -13.0 25 337 A E H X S+ 0 0 98 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.844 110.8 54.5 -44.3 -38.3 -85.1 -16.3 -16.2 26 338 A W H X S+ 0 0 56 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.953 105.6 51.2 -62.3 -51.6 -87.0 -19.3 -17.6 27 339 A E H X S+ 0 0 100 -4,-1.5 4,-2.7 -3,-0.3 -2,-0.2 0.948 114.1 42.8 -50.5 -56.2 -89.6 -19.1 -14.8 28 340 A E H X S+ 0 0 129 -4,-2.2 4,-3.8 1,-0.2 -1,-0.2 0.877 112.4 54.0 -59.6 -39.0 -90.2 -15.4 -15.4 29 341 A A H < S+ 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.898 109.0 49.9 -62.0 -39.3 -90.3 -16.0 -19.1 30 342 A E H >< S+ 0 0 102 -4,-2.9 3,-0.9 -5,-0.1 4,-0.3 0.974 117.8 38.7 -62.1 -54.6 -92.9 -18.6 -18.6 31 343 A R H >< S+ 0 0 119 -4,-2.7 3,-2.3 1,-0.3 2,-1.2 0.960 111.3 55.3 -61.3 -55.9 -95.0 -16.3 -16.4 32 344 A Q T 3< S+ 0 0 174 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.1 0.098 114.6 46.7 -68.5 30.6 -94.4 -13.1 -18.4 33 345 A A T < S+ 0 0 7 -2,-1.2 3,-0.4 -3,-0.9 -1,-0.3 0.350 75.8 99.1-147.8 -7.4 -95.7 -15.3 -21.3 34 346 A K S < S+ 0 0 120 -3,-2.3 2,-2.9 -4,-0.3 -2,-0.1 0.921 79.0 64.1 -51.9 -46.3 -98.8 -16.9 -19.9 35 347 A N S S+ 0 0 161 -4,-0.5 -1,-0.3 2,-0.0 -4,-0.0 -0.184 95.8 98.4 -73.1 49.3 -100.9 -14.3 -21.7 36 348 A L S S- 0 0 66 -2,-2.9 -3,-0.1 -3,-0.4 5,-0.0 -0.956 78.3 -96.1-140.2 158.9 -99.6 -15.7 -24.9 37 349 A P >> - 0 0 87 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.272 40.6-107.4 -69.1 156.2 -100.5 -18.1 -27.8 38 350 A K H >> S+ 0 0 177 1,-0.3 4,-2.2 2,-0.2 3,-0.9 0.921 117.5 51.2 -47.8 -60.4 -99.4 -21.8 -27.8 39 351 A A H 3> S+ 0 0 57 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.800 112.7 47.8 -51.7 -32.5 -96.7 -21.4 -30.6 40 352 A D H <> S+ 0 0 77 -3,-0.7 4,-1.2 2,-0.2 -1,-0.3 0.787 110.3 52.9 -78.8 -27.7 -95.2 -18.5 -28.6 41 353 A K H < S+ 0 0 2 -4,-1.7 3,-1.5 1,-0.2 7,-0.3 0.917 105.6 56.3 -64.9 -41.9 -24.7 -41.6 -5.9 93 405 A L H 3< S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.2 47.4 -59.8 -30.9 -23.8 -44.7 -7.9 94 406 A Q T 3< S+ 0 0 145 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.377 83.5 122.5 -94.3 3.5 -20.4 -43.3 -8.9 95 407 A A < - 0 0 41 -3,-1.5 -3,-0.0 -4,-0.3 8,-0.0 -0.328 69.3-103.4 -65.9 150.3 -19.5 -42.1 -5.4 96 408 A V S S+ 0 0 144 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.953 113.1 12.2-124.1 108.0 -16.2 -43.5 -3.9 97 409 A P S S- 0 0 71 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.697 103.5-126.2 -83.2 167.5 -16.9 -45.5 -2.0 98 410 A P - 0 0 44 0, 0.0 -5,-0.1 0, 0.0 -2,-0.1 -0.590 17.2-141.0 -75.9 137.2 -20.6 -45.9 -2.9 99 411 A R > - 0 0 160 -7,-0.3 4,-2.6 -2,-0.3 3,-0.3 -0.900 5.7-151.4-102.0 111.3 -22.9 -45.4 0.2 100 412 A P H > S+ 0 0 26 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.853 93.2 46.8 -46.7 -52.1 -25.8 -48.0 0.0 101 413 A R H > S+ 0 0 162 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.890 113.8 48.6 -64.5 -37.3 -28.3 -45.9 2.0 102 414 A H H > S+ 0 0 95 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.925 112.3 48.6 -68.4 -43.4 -27.5 -42.7 -0.1 103 415 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 112.7 50.0 -59.9 -45.0 -27.8 -44.7 -3.3 104 416 A F H X S+ 0 0 9 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.944 109.0 49.4 -61.7 -48.1 -31.1 -46.1 -2.1 105 417 A N H X S+ 0 0 47 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.861 114.7 45.0 -60.5 -36.0 -32.6 -42.7 -1.1 106 418 A M H X S+ 0 0 23 -4,-2.0 4,-2.0 2,-0.2 -17,-0.3 0.891 113.3 50.2 -72.8 -40.2 -31.8 -41.2 -4.5 107 419 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.908 109.4 52.2 -62.2 -42.8 -33.0 -44.2 -6.3 108 420 A K H X S+ 0 0 78 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.918 107.8 50.7 -61.1 -45.6 -36.3 -44.1 -4.3 109 421 A K H X S+ 0 0 113 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.907 113.3 46.6 -60.3 -39.8 -36.8 -40.4 -5.2 110 422 A Y H X S+ 0 0 0 -4,-2.0 4,-2.1 -25,-0.3 -2,-0.2 0.910 112.2 48.1 -68.1 -44.2 -36.3 -41.3 -8.9 111 423 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.908 111.7 51.4 -62.7 -42.2 -38.6 -44.3 -8.9 112 424 A R H X S+ 0 0 105 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.888 107.2 53.0 -63.9 -38.0 -41.3 -42.2 -7.1 113 425 A A H X S+ 0 0 1 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.933 113.1 44.1 -63.7 -41.3 -40.9 -39.5 -9.8 114 426 A E H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 113.1 50.1 -69.2 -39.9 -41.5 -42.1 -12.5 115 427 A Q H X S+ 0 0 51 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.904 108.9 53.6 -65.1 -39.1 -44.3 -43.8 -10.7 116 428 A K H X S+ 0 0 74 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.945 109.4 47.7 -59.9 -47.5 -45.9 -40.4 -10.2 117 429 A D H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.931 114.6 46.1 -59.3 -47.4 -45.8 -39.7 -14.0 118 430 A R H X S+ 0 0 88 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.946 114.8 47.2 -61.3 -48.6 -47.2 -43.1 -14.8 119 431 A Q H X S+ 0 0 107 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.925 112.9 46.9 -60.4 -49.1 -50.0 -42.8 -12.2 120 432 A H H X S+ 0 0 27 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.925 115.2 47.5 -60.7 -43.4 -51.0 -39.3 -13.2 121 433 A T H X S+ 0 0 15 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.939 115.0 44.6 -62.0 -48.8 -51.1 -40.2 -16.8 122 434 A L H X S+ 0 0 30 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.883 110.8 53.7 -64.8 -43.4 -53.0 -43.4 -16.3 123 435 A K H X S+ 0 0 124 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.875 110.6 46.9 -62.1 -37.9 -55.5 -41.8 -14.0 124 436 A H H X S+ 0 0 43 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.887 113.4 48.3 -74.0 -34.6 -56.3 -39.1 -16.5 125 437 A F H X S+ 0 0 6 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.920 112.7 48.4 -67.9 -42.8 -56.6 -41.7 -19.3 126 438 A E H X S+ 0 0 58 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.841 106.7 56.7 -66.3 -33.3 -58.9 -43.9 -17.2 127 439 A H H X S+ 0 0 116 -4,-1.7 4,-2.2 -5,-0.2 5,-0.3 0.979 110.1 44.9 -60.6 -52.8 -61.0 -40.9 -16.3 128 440 A V H X S+ 0 0 36 -4,-1.9 4,-3.4 1,-0.2 8,-0.3 0.911 110.5 54.2 -56.7 -44.2 -61.6 -40.2 -20.0 129 441 A R H < S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 110.7 47.1 -60.2 -36.5 -62.3 -43.9 -20.6 130 442 A M H < S+ 0 0 139 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.865 122.2 32.4 -74.6 -36.2 -65.0 -44.0 -17.9 131 443 A V H < S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.841 139.1 13.8 -88.0 -35.1 -66.8 -40.8 -18.9 132 444 A D >X + 0 0 50 -4,-3.4 4,-1.8 -5,-0.3 3,-0.9 -0.586 62.7 176.3-146.3 75.0 -66.2 -41.0 -22.7 133 445 A P H 3> S+ 0 0 75 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.796 83.2 54.9 -49.0 -40.3 -65.0 -44.4 -24.0 134 446 A K H 3> S+ 0 0 160 1,-0.2 4,-0.6 2,-0.2 -5,-0.1 0.865 108.9 48.2 -66.0 -36.2 -65.1 -43.4 -27.6 135 447 A K H X> S+ 0 0 79 -3,-0.9 3,-0.7 -7,-0.2 4,-0.7 0.870 107.9 55.7 -70.6 -36.0 -62.8 -40.4 -26.9 136 448 A A H >X S+ 0 0 1 -4,-1.8 4,-1.4 -8,-0.3 3,-1.0 0.876 99.7 59.6 -62.8 -38.7 -60.4 -42.7 -24.9 137 449 A A H 3< S+ 0 0 69 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.802 101.2 58.1 -59.5 -27.9 -60.1 -44.9 -27.9 138 450 A Q H << S+ 0 0 155 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.724 115.8 30.2 -75.6 -26.8 -58.8 -41.8 -29.7 139 451 A I H S+ 0 0 92 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.910 111.4 47.5 -58.3 -50.1 -52.1 -45.0 -28.6 142 454 A Q H > S+ 0 0 145 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.915 114.4 48.9 -59.7 -42.4 -50.4 -41.9 -27.4 143 455 A V H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 111.2 46.3 -64.7 -50.0 -51.1 -42.8 -23.8 144 456 A M H X S+ 0 0 79 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.847 111.3 55.0 -61.8 -33.2 -49.8 -46.4 -23.9 145 457 A T H X S+ 0 0 89 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.907 108.2 47.0 -65.0 -44.5 -46.7 -45.1 -25.8 146 458 A H H X S+ 0 0 46 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.891 112.8 51.1 -66.7 -37.1 -45.9 -42.6 -23.1 147 459 A L H X S+ 0 0 15 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 108.3 50.1 -66.2 -44.3 -46.5 -45.3 -20.5 148 460 A R H X S+ 0 0 166 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.885 109.5 53.1 -60.4 -39.6 -44.2 -47.8 -22.2 149 461 A V H X S+ 0 0 58 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.936 108.7 47.9 -60.2 -50.1 -41.5 -45.1 -22.4 150 462 A I H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.918 113.3 50.0 -57.5 -44.0 -41.7 -44.5 -18.7 151 463 A Y H X S+ 0 0 115 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.896 112.4 45.5 -61.6 -45.7 -41.5 -48.3 -18.1 152 464 A E H X S+ 0 0 80 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.940 113.8 49.2 -65.4 -46.3 -38.5 -48.7 -20.2 153 465 A R H X S+ 0 0 58 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.898 111.4 48.1 -61.1 -43.8 -36.7 -45.7 -18.8 154 466 A M H X S+ 0 0 26 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.923 113.1 48.5 -65.3 -42.5 -37.3 -46.7 -15.2 155 467 A N H X S+ 0 0 83 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.881 111.3 49.3 -64.7 -39.7 -36.1 -50.3 -15.9 156 468 A Q H X S+ 0 0 120 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.907 112.0 49.5 -65.6 -39.9 -33.0 -49.1 -17.6 157 469 A S H < S+ 0 0 8 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.850 111.2 49.1 -65.9 -35.8 -32.3 -46.8 -14.7 158 470 A L H >< S+ 0 0 22 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.831 102.7 61.5 -73.2 -32.3 -32.8 -49.7 -12.3 159 471 A S H >< S+ 0 0 64 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.771 88.0 72.6 -65.7 -24.4 -30.5 -51.9 -14.3 160 472 A L G >< S+ 0 0 62 -4,-0.8 3,-2.1 -3,-0.3 -1,-0.3 0.808 81.5 73.8 -59.6 -27.2 -27.6 -49.4 -13.6 161 473 A L G X S+ 0 0 7 -3,-1.3 3,-1.5 -4,-0.3 7,-0.4 0.796 83.9 66.6 -58.1 -28.5 -27.6 -50.7 -10.0 162 474 A Y G < S+ 0 0 161 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.425 82.4 73.3 -76.7 4.5 -26.0 -53.9 -11.2 163 475 A N G < S+ 0 0 137 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.512 104.4 41.5 -89.9 -6.2 -22.8 -52.1 -12.1 164 476 A V S X> S+ 0 0 31 -3,-1.5 4,-2.2 -4,-0.2 3,-0.9 -0.554 74.9 171.6-136.2 64.3 -22.2 -51.9 -8.4 165 477 A P H 3> S+ 0 0 86 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.792 73.9 60.3 -46.0 -39.3 -23.3 -55.4 -7.3 166 478 A A H 3> S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -4,-0.1 0.939 111.1 41.2 -57.0 -47.6 -22.0 -54.9 -3.7 167 479 A V H <> S+ 0 0 3 -3,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.912 112.1 55.6 -65.4 -45.4 -24.4 -52.0 -3.3 168 480 A A H X S+ 0 0 6 -4,-2.2 4,-1.7 -7,-0.4 3,-0.3 0.907 106.5 50.5 -54.8 -45.5 -27.2 -53.9 -5.2 169 481 A E H < S+ 0 0 142 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.900 109.2 51.9 -61.6 -41.0 -27.0 -56.8 -2.8 170 482 A E H < S+ 0 0 138 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.797 122.6 27.3 -68.1 -29.8 -27.2 -54.6 0.2 171 483 A I H X S+ 0 0 11 -4,-1.6 4,-2.5 -3,-0.3 3,-0.3 0.422 87.7 106.3-113.5 1.1 -30.4 -52.7 -0.9 172 484 A Q H X S+ 0 0 86 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.897 80.6 49.2 -46.6 -52.2 -32.1 -55.3 -3.1 173 485 A D H > S+ 0 0 110 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.904 113.2 45.5 -59.7 -42.3 -34.8 -56.1 -0.6 174 486 A E H > S+ 0 0 91 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.851 110.6 54.3 -70.4 -32.7 -35.8 -52.5 0.1 175 487 A V H X S+ 0 0 10 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.930 106.6 53.5 -64.5 -40.1 -35.7 -51.8 -3.6 176 488 A D H X S+ 0 0 79 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.902 103.4 55.0 -59.0 -41.3 -38.1 -54.7 -4.0 177 489 A E H < S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.906 105.9 55.4 -57.9 -38.7 -40.5 -53.1 -1.4 178 490 A L H < S+ 0 0 16 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.916 113.5 36.8 -59.6 -48.5 -40.4 -50.0 -3.6 179 491 A L H < 0 0 66 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.571 360.0 360.0 -83.8 -10.6 -41.5 -51.8 -6.7 180 492 A Q < 0 0 199 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.914 360.0 360.0 -94.4 360.0 -43.9 -54.1 -4.9