==== 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 ANTIBIOTIC RESISTANCE 27-JUN-06 2IWB . COMPND 2 MOLECULE: METHICILLIN RESISTANCE MECR1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.MARRERO,G.MALLORQUI-FERNANDEZ,T.GUEVARA, . 250 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 20.8 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 . 4 1.6 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 . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 0 1 0 1 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 1 0 1 0 0 1 1 0 0 1 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 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 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 1 340 A D 0 0 108 0, 0.0 46,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 47.2 31.6 28.5 20.6 2 341 A K B -A 46 0A 88 44,-0.2 2,-0.4 144,-0.0 44,-0.2 -0.896 360.0-140.8-119.8 133.4 32.8 29.9 17.3 3 342 A Y - 0 0 47 42,-3.1 2,-0.7 -2,-0.5 145,-0.1 -0.711 25.2-142.9 -81.9 128.7 36.2 30.3 15.8 4 343 A E + 0 0 140 -2,-0.4 2,-0.3 2,-0.0 -1,-0.0 -0.848 36.7 142.9-104.3 117.8 36.5 33.6 14.1 5 344 A T - 0 0 41 -2,-0.7 -2,-0.0 2,-0.1 40,-0.0 -0.989 38.8-158.2-148.3 146.2 38.5 33.8 10.9 6 345 A N + 0 0 160 -2,-0.3 -2,-0.0 2,-0.0 -1,-0.0 0.147 45.3 144.6-107.6 18.0 38.1 35.7 7.7 7 346 A V - 0 0 43 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.205 50.8-118.0 -56.2 141.9 40.2 33.3 5.7 8 347 A S + 0 0 94 29,-0.0 28,-0.6 2,-0.0 2,-0.3 -0.502 37.9 176.2 -76.2 157.1 39.0 32.7 2.1 9 348 A Y E -b 36 0B 73 -2,-0.2 2,-0.5 26,-0.1 28,-0.3 -0.987 35.5-111.0-158.2 156.6 38.0 29.3 1.0 10 349 A K E -b 37 0B 83 26,-2.4 28,-2.7 -2,-0.3 2,-0.2 -0.793 43.0-122.5 -86.6 132.7 36.6 27.5 -2.0 11 350 A K E -b 38 0B 136 -2,-0.5 28,-0.2 26,-0.2 3,-0.1 -0.558 22.3-169.6 -80.9 141.0 33.1 26.4 -1.1 12 351 A L > + 0 0 16 26,-2.6 3,-2.0 -2,-0.2 4,-0.1 -0.426 31.1 146.1-118.5 54.6 32.4 22.7 -1.3 13 352 A N G > + 0 0 115 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.796 62.1 71.6 -70.2 -20.3 28.6 22.9 -1.0 14 353 A Q G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.568 82.1 72.7 -67.5 -10.6 28.2 19.9 -3.4 15 354 A L G X + 0 0 0 -3,-2.0 3,-1.7 1,-0.2 4,-0.5 0.536 67.3 102.4 -78.0 -5.8 29.6 17.7 -0.6 16 355 A A G X + 0 0 36 -3,-1.9 3,-2.6 1,-0.3 -1,-0.2 0.851 69.7 61.2 -45.8 -45.8 26.2 18.1 1.2 17 356 A P G > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.801 94.7 62.7 -58.1 -28.7 24.9 14.7 0.2 18 357 A Y G < S+ 0 0 44 -3,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.730 99.5 57.6 -63.7 -21.9 27.7 13.0 2.1 19 358 A F G X S+ 0 0 4 -3,-2.6 3,-3.0 -4,-0.5 -1,-0.3 0.175 71.5 155.0-101.2 19.9 26.3 14.5 5.2 20 359 A K T < S+ 0 0 178 -3,-1.5 3,-0.1 1,-0.3 -4,-0.0 -0.173 73.1 16.8 -43.4 127.5 22.8 13.1 5.1 21 360 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 3,-0.0 203,-0.3 0.354 117.3 81.4 87.5 -1.7 21.5 13.0 8.7 22 361 A F S < S- 0 0 28 -3,-3.0 2,-0.9 201,-0.1 201,-0.2 -0.930 74.3-130.7-134.4 156.7 24.1 15.4 10.1 23 362 A D E +C 222 0B 87 199,-3.0 199,-2.1 -2,-0.3 2,-0.3 -0.942 60.3 164.0 -94.6 104.6 25.0 19.0 10.4 24 363 A G E -C 221 0B 0 -2,-0.9 2,-0.4 197,-0.2 197,-0.2 -0.762 32.5-157.7-126.7 165.5 28.4 18.4 9.2 25 364 A S E -C 220 0B 0 195,-2.1 195,-2.3 -2,-0.3 2,-0.4 -0.994 2.0-162.9-140.0 148.7 31.4 20.2 7.9 26 365 A F E -CD 219 39B 0 13,-1.7 13,-2.9 -2,-0.4 2,-0.5 -0.991 10.3-172.5-128.8 128.4 34.3 19.2 5.8 27 366 A V E -CD 218 38B 0 191,-3.0 191,-1.9 -2,-0.4 2,-0.4 -0.975 2.2-176.4-120.9 131.2 37.4 21.3 5.8 28 367 A L E -CD 217 37B 13 9,-3.1 9,-2.7 -2,-0.5 2,-0.5 -0.978 7.6-166.0-120.8 139.2 40.3 20.7 3.4 29 368 A Y E -CD 216 36B 22 187,-2.7 187,-2.6 -2,-0.4 2,-0.8 -0.996 10.7-152.0-126.1 124.2 43.5 22.6 3.3 30 369 A N E >> -CD 215 35B 30 5,-3.0 5,-1.7 -2,-0.5 4,-1.3 -0.856 6.4-157.7 -95.6 112.6 45.7 22.1 0.3 31 370 A E T 45S+ 0 0 53 183,-2.9 3,-0.4 -2,-0.8 -1,-0.2 0.919 87.5 45.9 -62.9 -44.2 49.2 22.8 1.4 32 371 A R T 45S+ 0 0 125 1,-0.2 -1,-0.2 182,-0.2 181,-0.1 0.917 120.0 39.7 -64.6 -45.9 50.8 23.6 -2.0 33 372 A E T 45S- 0 0 125 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.531 99.8-136.4 -85.0 -5.7 48.0 25.9 -3.0 34 373 A Q T <5 + 0 0 151 -4,-1.3 2,-0.4 -3,-0.4 -3,-0.2 0.917 59.0 140.0 54.7 45.1 47.7 27.3 0.5 35 374 A A E < - D 0 30B 16 -5,-1.7 -5,-3.0 -26,-0.0 2,-0.3 -0.979 47.7-147.8-131.7 134.4 44.0 27.1 0.1 36 375 A Y E -bD 9 29B 19 -28,-0.6 -26,-2.4 -2,-0.4 2,-0.4 -0.702 9.7-170.6 -91.0 147.6 41.1 26.1 2.2 37 376 A S E -bD 10 28B 17 -9,-2.7 -9,-3.1 -2,-0.3 2,-0.4 -0.987 14.5-173.2-131.7 138.1 38.0 24.4 0.8 38 377 A I E -bD 11 27B 3 -28,-2.7 -26,-2.6 -2,-0.4 2,-0.5 -0.990 25.1-156.6-142.4 133.0 35.0 24.0 3.0 39 378 A Y E S+ D 0 26B 27 -13,-2.9 -13,-1.7 -2,-0.4 -26,-0.1 -0.928 90.4 7.6 -98.8 129.0 31.7 22.4 3.1 40 379 A N S > S- 0 0 35 -2,-0.5 4,-2.5 -15,-0.2 -1,-0.2 0.996 71.0-165.6 65.9 70.6 29.4 24.1 5.5 41 380 A E H > S+ 0 0 43 -3,-0.3 4,-0.9 1,-0.2 5,-0.2 0.890 84.1 56.5 -56.4 -40.9 31.5 27.1 6.5 42 381 A P H >4 S+ 0 0 71 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.943 111.7 42.2 -58.6 -44.4 29.3 27.9 9.6 43 382 A E H >4 S+ 0 0 29 1,-0.3 3,-1.3 -19,-0.2 104,-0.5 0.860 104.7 66.1 -70.4 -30.4 29.8 24.4 11.0 44 383 A S H 3< S+ 0 0 0 -4,-2.5 104,-2.4 1,-0.3 105,-0.4 0.721 106.5 43.2 -57.0 -25.3 33.5 24.5 10.1 45 384 A K T << S+ 0 0 5 -3,-1.0 -42,-3.1 -4,-0.9 2,-0.3 0.466 88.8 104.5-100.7 -9.9 33.9 27.3 12.6 46 385 A Q B < -A 2 0A 55 -3,-1.3 101,-0.5 -4,-0.4 2,-0.4 -0.598 69.3-132.8 -79.1 131.1 31.8 25.8 15.4 47 386 A R + 0 0 44 -46,-3.6 2,-0.3 -2,-0.3 99,-0.3 -0.722 29.4 176.2 -87.9 135.9 33.9 24.4 18.1 48 387 A Y B -H 145 0C 31 97,-2.8 97,-3.0 -2,-0.4 153,-0.0 -0.917 43.4 -80.3-128.4 158.8 33.0 21.0 19.4 49 388 A S - 0 0 4 -2,-0.3 95,-0.2 95,-0.3 89,-0.1 -0.320 36.8-144.3 -54.0 133.3 34.6 18.7 22.0 50 389 A P > + 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.690 27.6 178.9 -74.6 -21.6 37.6 17.0 20.3 51 390 A N G > S- 0 0 3 87,-1.8 3,-2.2 1,-0.3 4,-0.3 -0.248 71.9 -4.2 45.2-133.9 37.1 13.8 22.1 52 391 A S G > S+ 0 0 14 1,-0.3 3,-1.6 140,-0.2 4,-0.4 0.671 123.2 75.2 -65.3 -15.3 39.8 11.3 20.9 53 392 A T G X S+ 0 0 0 -3,-2.1 3,-0.9 1,-0.3 4,-0.4 0.787 86.3 66.8 -65.6 -19.1 41.1 13.7 18.3 54 393 A Y G X> S+ 0 0 0 -3,-2.2 4,-2.6 1,-0.2 3,-0.9 0.782 81.1 77.5 -66.1 -24.4 42.7 15.5 21.4 55 394 A K H <> S+ 0 0 3 -3,-1.6 4,-2.6 -4,-0.3 -1,-0.2 0.826 83.0 65.1 -59.2 -29.5 44.9 12.4 21.8 56 395 A I H <> S+ 0 0 0 -3,-0.9 4,-1.4 -4,-0.4 -1,-0.3 0.945 111.8 33.2 -54.1 -48.1 47.1 13.7 19.0 57 396 A Y H <> S+ 0 0 0 -3,-0.9 4,-3.1 -4,-0.4 5,-0.2 0.836 113.1 58.8 -86.1 -30.0 48.1 16.7 21.0 58 397 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.929 107.0 50.5 -63.4 -38.6 48.0 15.1 24.3 59 398 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.915 110.1 49.2 -61.7 -45.2 50.6 12.7 22.9 60 399 A L H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.934 111.4 48.9 -61.4 -46.1 52.7 15.6 21.7 61 400 A M H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 6,-0.2 0.901 109.7 53.1 -57.0 -42.1 52.5 17.2 25.1 62 401 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 6,-1.5 0.908 110.6 45.9 -65.0 -40.0 53.5 14.0 26.6 63 402 A F H ><5S+ 0 0 12 -4,-2.5 3,-2.1 4,-0.2 -2,-0.2 0.941 111.8 52.2 -61.7 -44.4 56.5 13.8 24.4 64 403 A D H 3<5S+ 0 0 67 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.862 111.1 46.5 -64.7 -35.3 57.4 17.4 25.1 65 404 A Q T 3<5S- 0 0 69 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.257 116.3-116.6 -84.3 10.0 57.1 16.7 28.9 66 405 A N T < 5S+ 0 0 125 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.715 84.3 121.5 56.7 22.9 59.3 13.5 28.4 67 406 A L S -I 72 0D 42 3,-2.1 3,-2.4 -2,-0.4 2,-0.1 -0.909 51.3 -47.0-154.6-175.5 60.1 9.5 24.5 70 409 A L T 3 S+ 0 0 82 1,-0.3 98,-0.0 -2,-0.3 97,-0.0 -0.388 127.8 0.1 -58.9 133.4 62.0 7.5 22.0 71 410 A N T 3 S+ 0 0 163 -2,-0.1 -1,-0.3 1,-0.1 2,-0.1 0.726 119.2 92.4 57.5 25.5 61.7 3.8 22.8 72 411 A H B < +I 69 0D 53 -3,-2.4 -3,-2.1 1,-0.1 -1,-0.1 -0.535 41.0 101.4-149.5 72.2 59.5 4.8 25.7 73 412 A T + 0 0 29 -5,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.271 50.1 118.0-132.5 5.0 55.8 4.8 24.9 74 413 A E - 0 0 121 18,-0.2 2,-0.4 177,-0.2 177,-0.3 -0.524 36.6-173.3 -82.6 148.2 54.5 1.6 26.3 75 414 A Q B -J 91 0E 3 16,-2.7 16,-3.1 -2,-0.2 2,-0.3 -0.998 21.1-130.6-132.5 139.7 52.0 1.2 29.0 76 415 A Q - 0 0 101 -2,-0.4 2,-0.3 173,-0.3 14,-0.1 -0.630 24.7-117.6 -89.3 138.3 51.1 -2.0 30.6 77 416 A W - 0 0 42 -2,-0.3 13,-0.2 1,-0.1 -1,-0.1 -0.614 12.9-147.0 -74.7 130.6 47.5 -2.9 31.0 78 417 A D - 0 0 118 -2,-0.3 -1,-0.1 11,-0.1 3,-0.1 0.354 44.9-107.1 -82.8 7.2 46.4 -3.2 34.6 79 418 A K + 0 0 156 1,-0.3 2,-0.3 10,-0.0 -1,-0.1 0.520 68.5 151.5 79.1 8.1 43.9 -5.9 33.7 80 419 A H - 0 0 104 1,-0.1 2,-0.7 0, 0.0 -1,-0.3 -0.587 50.5-117.3 -69.8 130.7 40.9 -3.5 34.2 81 420 A Q - 0 0 136 -2,-0.3 -1,-0.1 -3,-0.1 4,-0.1 -0.626 36.2-176.9 -80.3 111.0 38.1 -4.7 31.9 82 421 A Y - 0 0 48 -2,-0.7 6,-0.1 2,-0.2 5,-0.0 -0.648 38.4-111.1-101.0 163.0 37.1 -2.1 29.3 83 422 A P S S+ 0 0 110 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.575 99.8 67.3 -66.5 -11.8 34.3 -2.4 26.7 84 423 A F S >> S- 0 0 103 1,-0.1 3,-2.0 15,-0.0 4,-0.7 -0.962 72.3-145.9-122.2 125.0 36.8 -2.7 23.8 85 424 A K G >4 S+ 0 0 160 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.858 99.7 62.3 -51.6 -38.1 39.1 -5.6 23.3 86 425 A E G 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.714 102.3 50.1 -69.3 -19.5 41.7 -3.3 21.9 87 426 A W G <4 S+ 0 0 26 -3,-2.0 2,-1.4 1,-0.2 -1,-0.3 0.649 93.3 79.0 -84.4 -18.3 41.9 -1.4 25.2 88 427 A N S << S+ 0 0 36 -3,-1.5 2,-0.3 -4,-0.7 -1,-0.2 -0.321 89.0 59.4 -91.4 52.0 42.3 -4.7 27.2 89 428 A Q S S- 0 0 82 -2,-1.4 -11,-0.1 -3,-0.2 -10,-0.0 -0.978 96.7 -68.9-164.0 163.5 45.9 -5.2 26.4 90 429 A D - 0 0 94 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.2 -0.252 56.9-153.0 -57.7 153.8 49.3 -3.6 26.8 91 430 A Q B -J 75 0E 6 -16,-3.1 -16,-2.7 4,-0.1 2,-0.3 -0.906 22.7-172.8-133.9 153.3 49.7 -0.5 24.7 92 431 A N > - 0 0 54 -2,-0.3 4,-2.6 -18,-0.3 5,-0.3 -0.747 53.0 -85.0-124.3-171.7 52.2 1.6 23.0 93 432 A L H > S+ 0 0 5 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.936 126.1 49.7 -58.8 -46.7 51.8 4.9 21.3 94 433 A N H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.916 115.6 40.5 -59.6 -45.2 50.7 3.3 18.0 95 434 A S H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 113.6 53.3 -73.5 -38.2 48.1 1.0 19.5 96 435 A S H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.2 0.869 115.9 41.0 -65.7 -35.2 46.8 3.5 21.9 97 436 A M H ><5S+ 0 0 2 -4,-2.2 3,-0.9 -5,-0.3 -2,-0.2 0.950 114.7 49.2 -75.6 -51.6 46.2 6.0 19.1 98 437 A K H 3<5S+ 0 0 136 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.907 123.4 33.4 -55.2 -41.2 44.9 3.5 16.5 99 438 A Y T 3<5S- 0 0 80 -4,-2.6 -1,-0.3 -5,-0.2 3,-0.2 0.351 105.4-126.4-103.0 8.1 42.4 2.1 19.1 100 439 A S T < 5 - 0 0 18 -3,-0.9 2,-1.1 -4,-0.2 -3,-0.2 0.918 31.6-165.4 53.7 53.7 41.9 5.3 20.9 101 440 A V >>< - 0 0 0 -5,-2.6 4,-1.3 -6,-0.2 3,-0.9 -0.550 7.2-165.6 -81.4 101.1 42.7 3.8 24.2 102 441 A N H 3> S+ 0 0 44 -2,-1.1 4,-3.2 1,-0.3 3,-0.3 0.872 81.2 56.9 -57.9 -41.7 41.5 6.3 26.7 103 442 A W H 3> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.830 102.2 56.1 -63.6 -29.0 43.3 5.0 29.7 104 443 A Y H <> S+ 0 0 0 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.927 114.2 39.8 -65.5 -42.9 46.6 5.3 28.1 105 444 A Y H X S+ 0 0 1 -4,-1.3 4,-2.8 -3,-0.3 -2,-0.2 0.823 112.0 55.8 -79.2 -34.4 46.0 9.0 27.5 106 445 A E H X S+ 0 0 57 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.928 106.1 53.0 -59.2 -41.7 44.4 9.5 30.8 107 446 A N H < S+ 0 0 39 -4,-2.5 142,-0.7 -5,-0.2 4,-0.4 0.873 111.7 45.0 -60.9 -39.2 47.6 8.1 32.4 108 447 A L H >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.2 4,-0.3 0.915 111.0 52.5 -68.6 -42.6 49.6 10.6 30.4 109 448 A N H >< S+ 0 0 14 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.837 96.2 70.1 -66.0 -30.1 47.3 13.5 31.3 110 449 A K T 3< S+ 0 0 142 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.811 101.0 46.1 -53.1 -31.1 47.6 12.5 34.9 111 450 A H T < S+ 0 0 82 -3,-1.6 2,-0.6 -4,-0.4 -1,-0.3 0.415 94.4 89.8 -97.6 2.4 51.2 13.8 34.8 112 451 A L S < S- 0 0 11 -3,-1.8 2,-0.1 -4,-0.3 -50,-0.0 -0.869 76.1-135.3-100.3 122.1 50.4 17.0 33.0 113 452 A R >> - 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