==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-SEP-08 3EO4 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ1062; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.TAN,C.HATZOS,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 626 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 26.4 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 . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 34 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 4 0 0 0 5 5 2 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 1 5 1 7 4 1 1 2 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 2 2 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 1 341 A A 0 0 72 0, 0.0 10,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 126.8 -9.2 36.8 71.7 2 342 A N E -A 10 0A 92 8,-0.2 8,-0.3 107,-0.1 2,-0.2 -0.964 360.0-161.0-144.3 161.1 -5.6 38.1 72.3 3 343 A C E -A 9 0A 20 6,-3.8 6,-1.3 -2,-0.3 7,-0.1 -0.686 12.6-150.7-153.3 72.0 -2.1 37.3 71.3 4 344 A K E A 8 0A 158 4,-0.3 4,-0.3 -2,-0.2 -2,-0.0 -0.154 360.0 360.0 -46.3 134.4 1.0 38.5 73.2 5 345 A K 0 0 85 2,-3.2 3,-0.2 100,-0.0 -1,-0.1 -0.253 360.0 360.0-163.7 360.0 4.2 39.0 71.3 6 ! 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 7 350 A S 0 0 71 0, 0.0 -2,-3.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.7 3.4 44.0 73.0 8 351 A K E -AB 4 65A 50 57,-1.6 57,-3.1 -4,-0.3 2,-0.5 -0.996 360.0-138.5-155.6 139.0 0.1 42.1 72.4 9 352 A I E +AB 3 64A 0 -6,-1.3 -6,-3.8 -2,-0.3 2,-0.3 -0.933 24.5 177.3-104.4 129.2 -2.4 41.7 69.6 10 353 A I E -AB 2 63A 23 53,-2.2 53,-3.8 -2,-0.5 2,-0.4 -0.954 13.7-155.0-125.0 145.2 -6.1 41.7 70.5 11 354 A I E + B 0 62A 9 -10,-2.5 2,-0.3 -2,-0.3 51,-0.2 -0.980 15.2 175.0-119.9 139.2 -9.0 41.4 68.1 12 355 A R E - B 0 61A 81 49,-2.0 49,-3.0 -2,-0.4 -2,-0.0 -0.979 39.8 -87.1-137.9 150.2 -12.5 42.8 68.9 13 356 A Q E - B 0 60A 146 -2,-0.3 47,-0.3 47,-0.2 2,-0.1 -0.203 48.8-106.8 -61.2 148.1 -15.6 43.0 66.7 14 357 A I - 0 0 13 45,-2.1 2,-0.3 2,-0.0 45,-0.1 -0.294 33.1-159.2 -69.6 163.0 -16.0 46.0 64.5 15 358 A T > - 0 0 58 -2,-0.1 3,-2.2 1,-0.0 4,-0.3 -0.910 35.6-100.4-142.4 158.1 -18.5 48.7 65.2 16 359 A D G > S+ 0 0 86 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.803 120.9 62.3 -47.2 -39.1 -20.3 51.5 63.2 17 360 A N G 3 S+ 0 0 116 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.679 97.2 56.0 -65.7 -20.0 -17.7 53.9 64.6 18 361 A D G <> S+ 0 0 6 -3,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.478 81.3 94.5 -89.0 -4.4 -14.8 52.0 62.9 19 362 A L H <> S+ 0 0 1 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 0.843 82.7 46.9 -65.0 -40.4 -16.3 52.3 59.4 20 363 A E H > S+ 0 0 7 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.840 113.5 49.1 -70.2 -37.8 -14.5 55.5 58.3 21 364 A L H > S+ 0 0 4 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.937 112.0 48.6 -67.8 -47.6 -11.1 54.1 59.5 22 365 A L H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.931 112.5 48.5 -55.2 -47.6 -11.7 50.8 57.7 23 366 A X H X S+ 0 0 8 -4,-2.7 4,-1.0 -5,-0.2 19,-0.3 0.905 107.5 56.7 -60.6 -37.9 -12.7 52.7 54.6 24 367 A A H < S+ 0 0 6 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.893 108.2 46.4 -63.2 -39.1 -9.5 54.9 54.9 25 368 A W H >< S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.932 113.4 48.3 -64.1 -47.3 -7.3 51.8 54.9 26 369 A R H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.572 105.9 58.9 -71.4 -12.2 -9.1 50.3 51.9 27 370 A S T 3< S+ 0 0 13 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.308 79.6 106.2 -98.2 4.3 -8.9 53.5 49.9 28 371 A N X> - 0 0 3 -3,-1.4 4,-2.7 1,-0.1 3,-2.6 -0.797 65.2-149.1 -87.7 115.6 -5.1 53.6 50.1 29 372 A P H 3> S+ 0 0 26 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.692 97.8 64.8 -52.6 -26.1 -3.7 52.7 46.7 30 373 A L H 34 S+ 0 0 54 2,-0.2 151,-0.0 1,-0.1 -2,-0.0 0.632 114.8 31.2 -71.4 -19.9 -0.7 51.1 48.5 31 374 A I H X4 S+ 0 0 7 -3,-2.6 3,-2.3 -6,-0.2 -1,-0.1 0.777 113.1 57.2-101.9 -45.0 -3.2 48.6 49.9 32 375 A Y H >< S+ 0 0 18 -4,-2.7 3,-1.4 1,-0.3 6,-0.2 0.554 84.6 85.0 -77.8 -3.6 -5.8 48.3 47.2 33 376 A K T 3< S+ 0 0 55 -4,-0.8 -1,-0.3 -5,-0.3 96,-0.1 0.705 93.0 49.2 -46.2 -34.0 -2.9 47.2 44.9 34 377 A F T < S+ 0 0 36 -3,-2.3 93,-0.5 2,-0.1 2,-0.4 0.305 92.8 95.7 -98.0 7.4 -3.6 43.8 46.4 35 378 A F S X S- 0 0 39 -3,-1.4 3,-1.1 3,-0.2 91,-0.0 -0.863 88.6 -94.9-109.7 131.4 -7.4 43.8 45.9 36 379 A Y T 3 S- 0 0 34 -2,-0.4 2,-0.2 1,-0.3 3,-0.1 -0.148 96.4 -27.0 -45.3 119.9 -9.1 42.1 42.9 37 380 A I T 3 S+ 0 0 35 1,-0.1 2,-0.3 -4,-0.1 -1,-0.3 0.320 90.2 145.3 50.0 1.1 -9.7 44.9 40.2 38 381 A Q < + 0 0 29 -3,-1.1 -3,-0.2 -2,-0.2 -1,-0.1 -0.519 9.9 160.6 -67.3 129.7 -9.9 47.9 42.6 39 382 A K + 0 0 24 -2,-0.3 -1,-0.2 2,-0.1 -6,-0.1 0.226 57.3 44.7-128.9 7.4 -8.4 50.9 40.8 40 383 A E S S- 0 0 39 -8,-0.1 -1,-0.1 -12,-0.0 -12,-0.1 -0.966 89.0 -88.7-150.3 156.2 -9.9 53.7 42.9 41 384 A P - 0 0 5 0, 0.0 -14,-0.1 0, 0.0 -2,-0.1 -0.290 57.0 -97.7 -61.2 160.7 -10.5 54.8 46.5 42 385 A L - 0 0 24 -19,-0.3 207,-0.4 -4,-0.0 2,-0.4 -0.352 26.4-130.7 -76.9 158.6 -13.9 53.7 47.9 43 386 A K > - 0 0 77 1,-0.1 4,-2.6 205,-0.1 3,-0.3 -0.906 18.8-125.4-105.3 143.0 -17.1 55.7 48.0 44 387 A W H > S+ 0 0 19 -2,-0.4 4,-3.7 1,-0.2 5,-0.4 0.920 110.5 56.9 -49.1 -48.2 -19.0 55.9 51.3 45 388 A E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 111.5 42.8 -55.0 -41.8 -22.2 54.7 49.6 46 389 A E H > S+ 0 0 100 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.912 116.8 47.2 -66.9 -46.3 -20.4 51.6 48.4 47 390 A H H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.896 115.4 44.6 -60.7 -42.6 -18.7 51.0 51.7 48 391 A Y H X S+ 0 0 59 -4,-3.7 4,-2.4 -5,-0.2 -2,-0.2 0.841 109.2 55.1 -77.4 -33.2 -21.9 51.6 53.7 49 392 A S H X S+ 0 0 72 -4,-2.1 4,-0.8 -5,-0.4 -1,-0.2 0.893 107.5 51.9 -66.1 -36.6 -24.0 49.4 51.4 50 393 A W H >X S+ 0 0 70 -4,-2.0 3,-0.8 2,-0.2 4,-0.8 0.956 109.8 50.2 -55.7 -49.4 -21.4 46.6 52.1 51 394 A W H >< S+ 0 0 34 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.873 112.7 43.6 -62.3 -43.2 -21.9 47.2 55.8 52 395 A X H 3< S+ 0 0 134 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.594 114.0 55.0 -75.0 -12.7 -25.7 47.0 55.7 53 396 A S H << S+ 0 0 71 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.562 75.9 132.7 -94.1 -12.4 -25.4 44.0 53.4 54 397 A R << + 0 0 69 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.0 -0.102 23.9 160.7 -54.4 132.2 -23.1 41.8 55.6 55 398 A E + 0 0 152 1,-0.0 25,-0.4 3,-0.0 26,-0.1 -0.980 58.8 8.4-145.7 149.6 -24.2 38.1 56.1 56 399 A N S S+ 0 0 82 -2,-0.3 25,-2.3 1,-0.2 24,-0.3 0.797 106.1 98.2 54.1 34.0 -22.4 35.0 57.1 57 400 A R - 0 0 58 22,-0.2 2,-0.4 23,-0.2 22,-0.2 -0.964 56.0-153.9-144.8 160.2 -19.3 36.9 58.1 58 401 A V E - C 0 78A 37 20,-2.3 20,-2.2 -2,-0.3 2,-0.4 -0.989 12.5-161.4-131.8 137.6 -17.6 38.4 61.2 59 402 A D E - C 0 77A 3 -2,-0.4 -45,-2.1 18,-0.2 2,-0.3 -0.979 7.4-170.6-120.6 137.1 -15.2 41.4 61.0 60 403 A W E -BC 13 76A 26 16,-3.5 16,-1.6 -2,-0.4 2,-0.4 -0.893 20.7-132.2-120.0 153.1 -12.8 42.3 63.7 61 404 A I E -BC 12 75A 0 -49,-3.0 -49,-2.0 -2,-0.3 2,-0.5 -0.880 26.9-131.2 -92.5 139.2 -10.5 45.3 64.3 62 405 A I E -BC 11 74A 0 12,-2.5 11,-2.6 -2,-0.4 12,-0.9 -0.821 22.1-160.8 -93.0 123.2 -6.9 44.4 65.2 63 406 A L E -BC 10 72A 18 -53,-3.8 -53,-2.2 -2,-0.5 2,-0.5 -0.881 4.6-154.9-107.4 135.6 -5.6 46.2 68.2 64 407 A L E -BC 9 71A 4 7,-2.9 7,-1.9 -2,-0.4 2,-0.6 -0.956 5.1-155.6-110.9 125.8 -2.0 46.5 69.0 65 408 A R E +BC 8 70A 80 -57,-3.1 -57,-1.6 -2,-0.5 2,-0.3 -0.897 25.1 161.5-100.8 123.0 -1.0 47.0 72.6 66 409 A E E > + C 0 69A 61 3,-2.6 3,-2.0 -2,-0.6 -2,-0.1 -0.993 68.0 6.9-148.7 134.7 2.3 48.7 73.0 67 410 A N T 3 S- 0 0 153 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.832 131.2 -68.2 52.1 33.5 3.8 50.5 76.0 68 411 A N T 3 S+ 0 0 125 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.614 116.2 114.0 64.0 15.1 0.6 49.0 77.5 69 412 A T E < -C 66 0A 97 -3,-2.0 -3,-2.6 2,-0.0 2,-0.3 -0.960 59.4-137.6-118.2 134.8 -1.5 51.4 75.4 70 413 A I E +C 65 0A 67 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.675 23.1 172.6 -98.2 146.6 -3.8 50.0 72.7 71 414 A R E -C 64 0A 12 -7,-1.9 -7,-2.9 -2,-0.3 2,-0.5 -0.967 36.3-103.7-143.6 158.4 -4.4 51.3 69.1 72 415 A K E +C 63 0A 27 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.731 43.0 158.6 -86.3 124.3 -6.2 50.2 65.9 73 416 A V E - 0 0 0 -11,-2.6 20,-1.8 -2,-0.5 21,-1.3 0.547 55.8 -26.9-127.2 -14.2 -3.9 48.9 63.3 74 417 A G E -CD 62 92A 0 -12,-0.9 -12,-2.5 18,-0.3 2,-0.3 -0.967 56.0-101.0-174.6-168.3 -5.9 46.7 60.9 75 418 A S E -CD 61 91A 2 16,-2.8 16,-2.2 -2,-0.3 2,-0.3 -0.999 18.5-169.9-141.3 143.8 -8.8 44.4 60.3 76 419 A V E +CD 60 90A 0 -16,-1.6 -16,-3.5 -2,-0.3 2,-0.3 -0.967 16.2 173.6-131.7 145.6 -9.3 40.7 60.1 77 420 A N E -CD 59 89A 31 12,-2.6 12,-2.6 -2,-0.3 2,-0.4 -0.968 23.7-151.5-151.0 155.3 -12.5 38.9 58.9 78 421 A V E +CD 58 88A 0 -20,-2.2 -20,-2.3 -2,-0.3 2,-0.3 -0.995 22.1 174.3-130.3 136.6 -14.1 35.5 58.0 79 422 A S E + D 0 87A 15 8,-2.6 8,-2.3 -2,-0.4 -22,-0.2 -0.794 54.1 52.4-134.7 175.2 -16.9 35.2 55.5 80 423 A Q > + 0 0 74 -25,-0.4 3,-1.5 -24,-0.3 5,-0.4 0.865 58.9 157.3 60.5 39.4 -18.9 32.3 53.9 81 424 A L T 3 + 0 0 29 -25,-2.3 -24,-0.1 1,-0.3 -25,-0.1 0.592 62.3 71.3 -69.8 -14.3 -19.6 30.9 57.5 82 425 A N T 3 S+ 0 0 111 -26,-0.2 -1,-0.3 3,-0.1 2,-0.3 0.315 94.7 66.6 -82.0 7.4 -22.6 29.0 56.0 83 426 A T S < S- 0 0 55 -3,-1.5 0, 0.0 1,-0.0 0, 0.0 -0.759 92.7-113.5-120.2 169.2 -20.1 26.7 54.3 84 427 A D S S+ 0 0 114 -2,-0.3 37,-0.6 1,-0.2 36,-0.5 0.347 110.0 49.6 -82.2 8.0 -17.7 24.1 55.6 85 428 A N S S- 0 0 19 -5,-0.4 37,-0.2 35,-0.1 -1,-0.2 -0.625 78.0-166.0-150.9 72.9 -14.8 26.2 54.3 86 429 A P - 0 0 0 0, 0.0 37,-2.7 0, 0.0 2,-0.4 -0.300 20.1-118.7 -68.1 155.3 -15.0 29.9 55.3 87 430 A E E -De 79 123A 39 -8,-2.3 -8,-2.6 35,-0.2 2,-0.5 -0.793 20.9-149.9 -97.8 132.3 -12.8 32.6 53.7 88 431 A I E -D 78 0A 4 35,-3.2 37,-0.4 -2,-0.4 2,-0.3 -0.884 11.9-172.3-105.1 132.0 -10.4 34.7 55.8 89 432 A G E -D 77 0A 16 -12,-2.6 -12,-2.6 -2,-0.5 2,-0.3 -0.923 3.7-177.5-119.3 147.1 -9.5 38.3 54.9 90 433 A I E +D 76 0A 36 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.999 8.8 174.6-145.1 146.3 -6.8 40.4 56.6 91 434 A L E -D 75 0A 19 -16,-2.2 -16,-2.8 -2,-0.3 2,-0.6 -0.953 15.5-158.3-151.7 123.3 -5.5 44.0 56.2 92 435 A I E -D 74 0A 21 -2,-0.3 -18,-0.3 -18,-0.2 6,-0.1 -0.966 9.3-165.8-101.9 117.1 -2.9 45.8 58.3 93 436 A G + 0 0 3 -20,-1.8 2,-0.5 -2,-0.6 -19,-0.2 0.813 67.0 75.6 -72.9 -36.4 -3.5 49.5 57.8 94 437 A E S > S- 0 0 11 -21,-1.3 3,-0.8 1,-0.1 4,-0.4 -0.736 70.7-153.6 -82.0 130.4 -0.2 50.9 59.3 95 438 A F T 3 S+ 0 0 26 -2,-0.5 3,-0.5 100,-0.4 -1,-0.1 0.722 85.3 56.3 -79.1 -31.3 2.5 50.4 56.7 96 439 A F T 3 S+ 0 0 82 99,-0.4 -1,-0.2 1,-0.2 100,-0.1 0.145 99.1 64.7 -92.9 19.4 5.7 50.2 58.8 97 440 A L S X S+ 0 0 15 -3,-0.8 3,-0.8 -24,-0.1 5,-0.4 0.585 75.1 111.5-103.1 -29.2 4.2 47.3 60.8 98 441 A W T 3 S+ 0 0 68 -3,-0.5 -3,-0.0 -4,-0.4 -5,-0.0 -0.143 74.6 32.4 -43.7 139.9 4.1 45.0 57.8 99 442 A G T 3 S+ 0 0 59 33,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.678 91.8 100.1 77.8 21.3 6.6 42.2 58.2 100 443 A K S < S- 0 0 118 -3,-0.8 -2,-0.1 0, 0.0 -4,-0.0 0.171 95.8-107.1-123.0 18.6 6.2 42.0 62.0 101 444 A H S > S+ 0 0 108 1,-0.1 4,-2.7 -96,-0.0 5,-0.2 0.450 83.7 122.6 76.1 4.8 3.8 39.0 62.3 102 445 A I H > S+ 0 0 6 -5,-0.4 4,-2.1 2,-0.2 5,-0.2 0.925 78.4 44.9 -62.0 -43.5 0.8 41.0 63.3 103 446 A G H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.921 112.7 52.3 -66.5 -43.2 -1.2 39.7 60.4 104 447 A R H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 111.7 44.8 -55.9 -53.0 -0.0 36.2 61.1 105 448 A H H X S+ 0 0 29 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.841 112.8 52.5 -62.2 -36.5 -1.1 36.3 64.8 106 449 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.940 110.0 47.3 -66.1 -47.4 -4.4 37.9 63.9 107 450 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.937 109.8 53.2 -60.3 -44.0 -5.3 35.2 61.4 108 451 A S H X S+ 0 0 41 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.881 104.8 55.5 -63.0 -35.0 -4.2 32.5 63.9 109 452 A L H X S+ 0 0 23 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.919 109.7 46.9 -55.8 -45.6 -6.6 34.0 66.5 110 453 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.934 109.8 53.2 -63.9 -44.6 -9.4 33.7 63.9 111 454 A L H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.857 107.8 51.2 -57.2 -38.7 -8.4 30.1 63.0 112 455 A K H X S+ 0 0 124 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.907 110.1 48.8 -66.7 -41.7 -8.6 29.1 66.7 113 456 A W H X S+ 0 0 93 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.937 113.1 47.8 -64.1 -46.0 -12.1 30.7 67.0 114 457 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.4 0.913 112.2 49.3 -56.9 -48.8 -13.3 28.8 63.9 115 458 A K H ><5S+ 0 0 101 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.887 105.3 57.1 -56.7 -44.0 -11.8 25.5 65.1 116 459 A N H 3<5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.4 47.5 -69.6 -26.2 -13.4 25.7 68.5 117 460 A I T 3<5S- 0 0 103 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.307 129.9 -91.2 -95.2 5.8 -16.9 26.0 67.1 118 461 A G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.554 73.0 143.3 103.3 12.1 -16.3 23.0 64.8 119 462 A Y < - 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