==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TUMOUR SUPPRESSOR 03-OCT-97 1YGS . COMPND 2 MOLECULE: SMAD4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.SHI,A.HATA,R.S.LO,J.MASSAGUE,N.P.PAVLETICH . 190 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 2 1 2 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 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 1 319 A A 0 0 112 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -57.5 27.6 39.7 46.8 2 320 A P - 0 0 26 0, 0.0 3,-0.2 0, 0.0 23,-0.2 -0.545 360.0-151.6 -81.8 150.4 27.9 37.2 49.7 3 321 A E S S+ 0 0 143 1,-0.3 22,-2.4 -2,-0.2 2,-0.4 0.889 94.4 26.0 -79.0 -45.5 31.0 37.3 51.8 4 322 A Y E S-A 24 0A 69 20,-0.3 -1,-0.3 21,-0.1 174,-0.1 -0.972 70.8-151.5-117.2 129.3 30.5 33.6 52.5 5 323 A W E S- 0 0 16 18,-1.5 173,-1.8 -2,-0.4 174,-0.5 0.794 81.6 -3.8 -72.3 -20.4 28.5 31.5 50.1 6 324 A C E -AB 23 177A 0 17,-1.0 17,-2.6 171,-0.2 2,-0.4 -0.980 55.3-144.9-162.6 163.9 27.5 29.3 53.0 7 325 A S E -AB 22 176A 19 169,-1.3 169,-2.7 -2,-0.3 2,-0.4 -0.986 21.0-155.6-133.4 139.9 27.8 28.6 56.8 8 326 A I E -AB 21 175A 0 13,-3.0 13,-2.8 -2,-0.4 2,-0.4 -0.978 7.2-165.7-125.8 131.8 27.7 25.0 58.2 9 327 A A E - B 0 174A 10 165,-2.3 165,-2.1 -2,-0.4 2,-0.3 -0.955 13.7-147.7-116.1 132.8 26.8 23.9 61.7 10 328 A Y E -AB 17 173A 0 7,-0.5 7,-2.3 -2,-0.4 2,-0.3 -0.781 16.6-172.4-102.7 140.3 27.6 20.3 62.7 11 329 A F E -AB 16 172A 26 161,-3.3 161,-2.4 -2,-0.3 2,-0.4 -0.940 22.1-157.9-131.8 155.8 25.4 18.3 65.2 12 330 A E E > S-A 15 0A 1 3,-2.1 3,-1.4 -2,-0.3 2,-0.2 -0.950 81.1 -41.1-134.2 105.1 25.6 15.0 67.0 13 331 A M T 3 S- 0 0 75 156,-2.1 156,-0.2 -2,-0.4 155,-0.2 -0.544 125.5 -26.9 66.8-127.8 22.1 14.1 67.8 14 332 A D T 3 S+ 0 0 117 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.140 118.6 95.7-104.1 21.4 20.4 17.4 69.0 15 333 A V E < S-A 12 0A 43 -3,-1.4 -3,-2.1 152,-0.1 2,-0.5 -0.920 72.0-131.8-111.1 129.0 23.6 19.1 70.2 16 334 A Q E -A 11 0A 81 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.738 26.4-157.6 -80.5 133.2 25.5 21.5 68.0 17 335 A V E -A 10 0A 4 -7,-2.3 -7,-0.5 -2,-0.5 34,-0.1 -0.921 52.2 -6.8-116.0 131.9 29.2 20.5 68.2 18 336 A G E S- 0 0 39 -2,-0.4 2,-0.2 32,-0.3 3,-0.0 -0.184 97.3 -62.7 76.7-177.1 32.0 22.9 67.4 19 337 A E E - 0 0 160 1,-0.1 -9,-0.2 -10,-0.1 2,-0.2 -0.578 62.3 -79.7-101.1 170.5 31.4 26.4 66.0 20 338 A T E - 0 0 45 -2,-0.2 2,-0.4 -11,-0.1 -11,-0.2 -0.467 41.1-138.5 -71.3 132.5 29.8 27.3 62.7 21 339 A F E -A 8 0A 26 -13,-2.8 -13,-3.0 -2,-0.2 2,-0.5 -0.819 12.8-156.4 -93.7 133.0 32.0 27.1 59.7 22 340 A K E -A 7 0A 101 -2,-0.4 -15,-0.2 -15,-0.3 -17,-0.0 -0.950 5.9-148.9-114.7 119.8 31.7 30.0 57.2 23 341 A V E -A 6 0A 0 -17,-2.6 -18,-1.5 -2,-0.5 -17,-1.0 -0.775 16.4-131.1 -93.5 117.1 32.8 29.3 53.6 24 342 A P E > -A 4 0A 36 0, 0.0 3,-2.0 0, 0.0 -20,-0.3 -0.201 19.8-119.1 -60.9 154.7 34.2 32.3 51.8 25 343 A S T 3 S+ 0 0 54 -22,-2.4 -21,-0.1 1,-0.3 -22,-0.1 0.695 115.3 70.5 -67.5 -13.2 32.9 33.0 48.3 26 344 A S T 3 S+ 0 0 100 -23,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.533 89.5 64.2 -77.7 -11.8 36.6 32.5 47.4 27 345 A C < + 0 0 22 -3,-2.0 -1,-0.2 1,-0.1 -22,-0.1 -0.785 59.7 174.6-115.7 83.7 36.2 28.7 48.2 28 346 A P S S+ 0 0 68 0, 0.0 45,-2.7 0, 0.0 2,-0.4 0.758 74.5 46.1 -57.4 -29.1 33.6 27.4 45.6 29 347 A I E -F 72 0B 59 43,-0.2 2,-0.4 -3,-0.1 43,-0.2 -0.976 68.4-177.9-122.5 130.3 34.3 23.9 47.0 30 348 A V E -F 71 0B 0 41,-2.8 41,-3.2 -2,-0.4 2,-0.4 -0.984 13.5-149.2-127.8 135.7 34.4 23.0 50.6 31 349 A T E -Fg 70 43B 25 11,-1.6 13,-3.1 -2,-0.4 2,-0.5 -0.901 5.5-165.5-106.2 135.8 35.1 19.6 52.0 32 350 A V E +Fg 69 44B 0 37,-2.5 37,-2.0 -2,-0.4 2,-0.2 -0.979 27.5 157.7-120.6 112.7 33.6 18.4 55.3 33 351 A D E - g 0 45B 8 11,-1.2 13,-3.2 -2,-0.5 14,-0.4 -0.761 55.3-107.3-130.8 179.6 35.4 15.2 56.6 34 352 A G S S+ 0 0 21 32,-3.2 32,-0.2 -2,-0.2 33,-0.1 0.290 84.3 105.0 -90.3 10.8 36.1 13.1 59.6 35 353 A Y S S- 0 0 104 31,-0.3 12,-2.3 9,-0.1 13,-0.6 0.119 71.4-121.3 -77.6-161.5 39.8 14.3 59.7 36 354 A V + 0 0 89 11,-0.3 9,-0.1 10,-0.1 -1,-0.0 0.490 56.8 126.2-132.6 3.2 41.4 16.7 62.1 37 355 A D > - 0 0 72 1,-0.2 8,-0.6 2,-0.1 3,-0.6 -0.496 34.4-169.2 -69.2 118.6 43.0 19.7 60.4 38 356 A P T 3 + 0 0 97 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.467 62.5 100.4 -85.7 -5.4 41.5 22.8 62.2 39 357 A S T 3 - 0 0 96 3,-0.0 5,-0.1 5,-0.0 -2,-0.1 0.774 62.8-177.9 -50.2 -31.1 43.0 25.3 59.6 40 358 A G < + 0 0 30 -3,-0.6 4,-0.2 3,-0.2 0, 0.0 0.793 31.6 124.5 25.2 96.7 39.5 25.4 58.1 41 359 A G S S- 0 0 34 2,-0.3 -1,-0.1 -20,-0.0 -14,-0.1 0.370 96.6 -1.2-129.4 -71.3 39.3 27.5 55.0 42 360 A D S S+ 0 0 93 1,-0.1 -11,-1.6 -19,-0.1 2,-0.3 -0.043 133.0 59.9-111.4 24.3 37.9 25.3 52.3 43 361 A R E -g 31 0B 75 -13,-0.2 2,-0.7 27,-0.0 -2,-0.3 -0.900 62.2-161.6-158.8 124.3 37.8 22.2 54.5 44 362 A F E -g 32 0B 13 -13,-3.1 -11,-1.2 -2,-0.3 2,-0.5 -0.928 15.7-158.8-111.5 102.2 35.8 21.7 57.7 45 363 A C E -g 33 0B 2 -2,-0.7 -11,-0.2 -8,-0.6 3,-0.2 -0.732 15.1-175.9 -89.7 129.0 37.2 18.8 59.7 46 364 A L > + 0 0 0 -13,-3.2 3,-0.6 -2,-0.5 -12,-0.2 0.526 67.7 81.3 -96.0 -9.0 34.9 17.1 62.3 47 365 A G T 3 S+ 0 0 25 -12,-2.3 -11,-0.3 -14,-0.4 -1,-0.1 0.781 89.2 49.4 -70.6 -29.5 37.5 14.7 63.8 48 366 A Q T 3 S+ 0 0 69 -13,-0.6 2,-0.2 -3,-0.2 -1,-0.2 0.490 87.6 109.2 -88.8 -2.7 39.3 17.0 66.1 49 367 A L < - 0 0 31 -3,-0.6 2,-0.2 -4,-0.1 -3,-0.0 -0.532 57.2-144.2 -82.1 139.0 36.1 18.4 67.8 50 368 A S - 0 0 105 -2,-0.2 -32,-0.3 3,-0.0 2,-0.2 -0.587 15.8-177.5 -98.4 159.1 35.1 17.5 71.3 51 369 A N > - 0 0 20 -2,-0.2 3,-2.5 -34,-0.1 -34,-0.1 -0.773 17.1-155.4-156.2 105.9 31.6 17.0 72.7 52 370 A V T 3 S+ 0 0 138 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.640 98.0 52.1 -61.4 -13.4 31.3 16.3 76.4 53 371 A H T 3 S+ 0 0 127 2,-0.0 -1,-0.3 -3,-0.0 -38,-0.0 0.399 80.9 134.6-101.0 1.7 28.0 14.5 75.8 54 372 A R < - 0 0 54 -3,-2.5 2,-0.2 1,-0.1 -3,-0.0 -0.173 40.5-154.0 -55.2 139.5 29.4 12.2 73.1 55 373 A T > - 0 0 70 115,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.701 29.5-108.6-110.3 167.0 28.4 8.5 73.3 56 374 A E H > S+ 0 0 131 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.831 121.3 57.9 -63.7 -31.1 30.3 5.4 72.0 57 375 A A H > S+ 0 0 44 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 106.8 47.5 -64.5 -39.3 27.6 5.1 69.3 58 376 A I H > S+ 0 0 8 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.864 112.3 49.2 -69.8 -38.0 28.4 8.7 68.1 59 377 A E H X S+ 0 0 113 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.862 108.8 54.3 -68.4 -35.3 32.2 7.8 68.1 60 378 A R H < S+ 0 0 131 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.939 112.4 42.9 -63.1 -44.7 31.4 4.7 66.2 61 379 A A H >< S+ 0 0 3 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.864 107.2 58.6 -69.3 -40.4 29.6 6.6 63.5 62 380 A R H >X S+ 0 0 29 -4,-2.4 3,-1.0 1,-0.3 4,-0.5 0.764 96.7 65.9 -60.3 -25.8 32.2 9.4 63.4 63 381 A L T 3< S+ 0 0 135 -4,-1.0 3,-0.3 -3,-0.4 -1,-0.3 0.803 101.4 49.8 -64.7 -27.7 34.6 6.6 62.5 64 382 A H T <4 S+ 0 0 86 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.381 85.4 81.4 -94.7 1.3 32.6 6.2 59.2 65 383 A I T X4 + 0 0 1 -3,-1.0 3,-3.0 -4,-0.3 -1,-0.2 0.853 63.0 150.7 -75.7 -26.7 32.5 9.7 58.0 66 384 A G T 3< S+ 0 0 28 -4,-0.5 -32,-3.2 -3,-0.3 -31,-0.3 -0.057 72.7 0.9 37.9-124.1 36.0 9.3 56.6 67 385 A K T 3 S- 0 0 117 1,-0.2 -1,-0.3 -34,-0.2 -35,-0.2 0.509 94.6-171.9 -71.2 -4.5 36.6 11.5 53.6 68 386 A G < - 0 0 0 -3,-3.0 17,-2.1 16,-0.2 16,-1.7 -0.174 28.6 -48.5 56.0-130.6 33.1 12.8 53.9 69 387 A V E -FH 32 83B 0 -37,-2.0 -37,-2.5 14,-0.2 2,-0.4 -0.912 34.2-130.5-140.3 164.9 31.7 15.1 51.1 70 388 A Q E -FH 31 82B 44 12,-1.9 12,-2.0 -2,-0.3 2,-0.5 -0.966 16.7-155.9-118.4 133.9 32.5 18.1 49.0 71 389 A L E -FH 30 81B 0 -41,-3.2 -41,-2.8 -2,-0.4 2,-0.4 -0.951 15.9-170.1-109.6 127.3 29.9 20.9 48.7 72 390 A E E -FH 29 80B 33 8,-2.5 8,-2.8 -2,-0.5 2,-0.6 -0.987 16.0-152.5-126.8 133.4 30.3 22.9 45.5 73 391 A C E - H 0 79B 17 -45,-2.7 2,-0.5 -2,-0.4 6,-0.2 -0.918 14.8-164.6-105.5 114.0 28.7 26.2 44.6 74 392 A K E >> - H 0 78B 74 4,-3.1 4,-2.7 -2,-0.6 3,-0.7 -0.875 57.0 -25.4-100.4 133.1 28.4 26.6 40.8 75 393 A G T 34 S- 0 0 77 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.328 125.5 -19.7 67.6-145.2 27.6 30.0 39.4 76 394 A E T 34 S- 0 0 115 1,-0.1 -1,-0.2 103,-0.0 103,-0.2 0.841 135.4 -30.0 -66.4 -37.1 25.8 32.5 41.7 77 395 A G T <4 S+ 0 0 8 -3,-0.7 2,-0.4 102,-0.1 -2,-0.2 0.228 83.3 138.9-176.4 35.6 24.5 29.8 44.1 78 396 A D E < -H 74 0B 36 -4,-2.7 -4,-3.1 43,-0.2 2,-0.5 -0.777 40.7-146.6 -87.4 136.5 23.8 26.4 42.6 79 397 A V E -HI 73 120B 1 41,-1.5 40,-3.0 -2,-0.4 41,-1.7 -0.926 18.3-177.9-118.4 134.3 24.9 23.6 44.9 80 398 A W E -HI 72 118B 61 -8,-2.8 -8,-2.5 -2,-0.5 2,-0.4 -0.891 11.9-151.9-121.6 146.1 26.3 20.2 44.2 81 399 A V E -HI 71 117B 2 36,-3.3 36,-2.1 -2,-0.3 2,-0.5 -0.945 4.3-165.1-117.3 141.0 27.3 17.4 46.6 82 400 A R E -HI 70 116B 86 -12,-2.0 -12,-1.9 -2,-0.4 2,-1.0 -0.995 17.7-139.1-125.7 119.7 30.0 14.8 45.9 83 401 A C E +H 69 0B 0 32,-2.8 31,-2.7 -2,-0.5 -14,-0.2 -0.728 29.8 167.3 -83.1 103.1 30.1 11.8 48.2 84 402 A L + 0 0 62 -16,-1.7 -15,-0.2 -2,-1.0 -17,-0.2 0.733 50.1 83.0 -87.1 -28.0 33.8 11.1 48.9 85 403 A S S S- 0 0 6 -17,-2.1 29,-0.5 2,-0.2 -19,-0.1 -0.201 84.9-120.8 -71.2 169.8 33.4 8.6 51.8 86 404 A D S S+ 0 0 130 -22,-0.2 2,-0.4 27,-0.1 -1,-0.1 0.085 93.1 80.5 -98.9 23.9 32.7 4.9 51.1 87 405 A H S S- 0 0 68 -22,-0.2 -2,-0.2 -19,-0.1 2,-0.1 -0.942 89.9-106.2-126.3 142.5 29.5 5.2 53.1 88 406 A A - 0 0 18 -2,-0.4 2,-0.3 66,-0.1 24,-0.2 -0.413 31.1-141.4 -68.3 152.7 26.3 6.6 51.7 89 407 A V E -C 111 0A 0 22,-2.6 22,-2.6 -2,-0.1 2,-0.5 -0.732 4.3-137.1-111.8 158.2 25.1 10.1 52.8 90 408 A F E -CD 110 152A 12 62,-2.3 62,-2.4 -2,-0.3 2,-0.4 -0.912 21.9-169.7-125.6 109.2 21.6 11.2 53.5 91 409 A V E -CD 109 151A 1 18,-2.9 18,-2.8 -2,-0.5 2,-0.6 -0.780 18.4-154.9-106.5 136.9 20.4 14.6 52.2 92 410 A Q E + D 0 150A 30 58,-2.9 58,-1.6 -2,-0.4 2,-0.3 -0.931 34.9 154.0-104.0 117.5 17.3 16.8 52.9 93 411 A S > - 0 0 1 -2,-0.6 4,-1.6 14,-0.3 12,-0.1 -0.943 43.3-152.7-151.3 128.5 16.8 19.0 49.9 94 412 A Y H > S+ 0 0 59 54,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.820 102.5 56.2 -68.7 -31.1 13.7 20.7 48.4 95 413 A Y H > S+ 0 0 38 24,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.941 109.8 44.5 -65.6 -47.5 15.3 20.6 45.0 96 414 A L H 4 S+ 0 0 20 23,-0.5 4,-0.2 2,-0.2 6,-0.2 0.789 109.9 57.5 -67.1 -29.7 15.8 16.9 45.2 97 415 A D H ><>S+ 0 0 2 -4,-1.6 5,-2.5 2,-0.2 3,-1.6 0.972 109.3 43.8 -61.9 -54.9 12.2 16.5 46.6 98 416 A R H ><5S+ 0 0 164 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.933 111.1 54.3 -55.9 -47.8 10.8 18.2 43.5 99 417 A E T 3<5S+ 0 0 104 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.489 112.1 45.5 -67.4 -5.2 13.0 16.2 41.2 100 418 A A T < 5S- 0 0 37 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.238 110.5-121.4-117.1 6.8 11.7 13.0 42.8 101 419 A G T < 5 + 0 0 61 -3,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.769 65.1 146.1 58.7 23.2 8.1 14.1 42.7 102 420 A R < - 0 0 142 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.624 60.9 -91.9 -90.1 151.2 8.0 13.8 46.4 103 421 A A > - 0 0 53 3,-0.3 3,-1.7 -2,-0.2 -1,-0.1 -0.389 62.3 -80.8 -60.1 140.0 6.0 16.1 48.6 104 422 A P T 3 S- 0 0 108 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.125 113.3 -4.5 -46.4 125.6 8.1 19.1 49.8 105 423 A G T 3 S+ 0 0 36 1,-0.1 2,-1.0 -3,-0.1 -2,-0.1 0.130 103.2 110.0 75.1 -21.5 10.2 18.0 52.7 106 424 A D < + 0 0 111 -3,-1.7 2,-0.3 -2,-0.1 -3,-0.3 -0.093 67.6 70.1 -79.3 39.5 8.6 14.6 52.9 107 425 A A - 0 0 21 -2,-1.0 2,-0.5 -5,-0.1 -14,-0.3 -0.994 57.1-156.0-158.5 146.6 11.8 12.8 51.6 108 426 A V - 0 0 41 -2,-0.3 2,-0.6 -16,-0.1 -16,-0.2 -0.996 25.2-144.8-121.5 126.6 15.4 11.9 52.6 109 427 A H E -C 91 0A 32 -18,-2.8 -18,-2.9 -2,-0.5 2,-0.5 -0.842 2.0-146.5-104.6 118.2 17.7 11.3 49.7 110 428 A K E -C 90 0A 88 -2,-0.6 2,-0.6 -20,-0.2 -20,-0.2 -0.657 11.5-164.2 -81.6 120.8 20.4 8.7 49.8 111 429 A I E -C 89 0A 1 -22,-2.6 -22,-2.6 -2,-0.5 3,-0.1 -0.951 15.9-140.8-109.0 117.1 23.6 9.7 47.9 112 430 A Y > - 0 0 141 -2,-0.6 3,-2.2 -24,-0.2 -29,-0.3 -0.273 34.3 -70.1 -76.9 160.4 25.8 6.7 47.2 113 431 A P T 3 S+ 0 0 54 0, 0.0 -29,-0.2 0, 0.0 -1,-0.2 -0.151 119.8 11.3 -50.0 139.5 29.7 6.7 47.3 114 432 A S T 3 S+ 0 0 105 -31,-2.7 -30,-0.1 -29,-0.5 -28,-0.1 0.305 92.9 145.0 72.3 -7.1 31.4 8.6 44.5 115 433 A A < - 0 0 24 -3,-2.2 -32,-2.8 -32,-0.1 2,-0.5 -0.336 35.3-163.0 -64.8 138.4 28.1 10.1 43.5 116 434 A Y E +I 82 0B 67 -34,-0.2 2,-0.3 -3,-0.1 -34,-0.2 -0.891 24.2 167.1-126.1 97.0 28.3 13.7 42.3 117 435 A I E -I 81 0B 59 -36,-2.1 -36,-3.3 -2,-0.5 2,-0.5 -0.859 38.7-122.4-117.6 147.2 24.7 15.1 42.5 118 436 A K E +I 80 0B 44 -2,-0.3 -38,-0.3 -38,-0.3 3,-0.1 -0.737 30.7 174.2 -84.6 127.1 23.2 18.6 42.2 119 437 A V E + 0 0 0 -40,-3.0 -24,-0.5 -2,-0.5 -23,-0.5 0.508 57.9 33.2-115.4 -3.7 21.2 19.4 45.4 120 438 A F E -I 79 0B 9 -41,-1.7 -41,-1.5 -25,-0.1 2,-0.4 -0.991 53.8-162.2-153.7 142.0 20.1 23.0 45.1 121 439 A D > - 0 0 29 -2,-0.3 4,-2.3 -43,-0.2 -43,-0.2 -0.980 10.4-154.9-127.8 117.1 19.1 25.3 42.2 122 440 A L H > S+ 0 0 6 -2,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.927 92.0 44.4 -55.2 -57.0 19.1 29.1 42.9 123 441 A R H > S+ 0 0 174 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 112.6 51.1 -59.1 -43.0 16.5 30.2 40.4 124 442 A Q H > S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.956 112.4 49.5 -58.2 -47.0 14.1 27.4 41.2 125 443 A C H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 110.0 49.6 -55.2 -50.1 14.5 28.5 44.8 126 444 A H H X S+ 0 0 57 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.892 112.5 47.8 -58.5 -43.3 13.9 32.2 43.9 127 445 A R H X S+ 0 0 124 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.932 112.7 48.4 -64.5 -47.9 10.7 31.3 42.0 128 446 A Q H X S+ 0 0 63 -4,-2.9 4,-3.1 -5,-0.2 -2,-0.2 0.857 110.3 50.3 -62.0 -40.1 9.4 29.1 44.7 129 447 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.894 112.3 47.5 -67.9 -38.6 10.0 31.6 47.5 130 448 A Q H X S+ 0 0 92 -4,-1.8 4,-3.2 -5,-0.2 5,-0.2 0.966 117.1 42.4 -65.1 -52.0 8.2 34.4 45.5 131 449 A Q H X S+ 0 0 136 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.936 117.8 46.8 -59.9 -47.3 5.3 32.1 44.7 132 450 A Q H X S+ 0 0 54 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.860 115.0 45.2 -64.7 -38.0 5.2 30.7 48.2 133 451 A A H X S+ 0 0 8 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.943 112.8 52.2 -69.9 -45.0 5.4 34.2 49.8 134 452 A A H < S+ 0 0 49 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.2 47.7 -56.6 -45.1 2.8 35.5 47.4 135 453 A T H >< S+ 0 0 104 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.898 108.6 54.4 -65.0 -39.3 0.4 32.7 48.3 136 454 A A H 3< S+ 0 0 80 -4,-1.9 2,-0.8 1,-0.3 -1,-0.2 0.829 103.7 59.0 -61.9 -30.4 1.1 33.4 52.0 137 455 A Q T 3< 0 0 120 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.393 360.0 360.0 -95.7 53.9 0.1 37.0 51.2 138 456 A A < 0 0 128 -2,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.386 360.0 360.0-159.4 360.0 -3.4 36.0 50.0 139 ! 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 0.0 140 492 A V > 0 0 108 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -12.6 9.1 33.1 57.4 141 493 A D H > + 0 0 76 1,-0.2 4,-0.6 2,-0.2 0, 0.0 0.726 360.0 43.3 -58.9 -28.1 10.1 29.8 59.1 142 494 A D H > S+ 0 0 106 2,-0.2 4,-0.6 1,-0.1 3,-0.4 0.882 111.7 52.8 -82.7 -47.0 8.9 27.8 56.1 143 495 A L H >4 S+ 0 0 16 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.871 105.0 54.9 -58.0 -38.9 10.4 30.0 53.5 144 496 A R H >< S+ 0 0 70 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.838 95.3 66.7 -67.1 -32.7 13.9 29.9 55.1 145 497 A R H >< S+ 0 0 86 -4,-0.6 3,-1.5 -3,-0.4 -1,-0.2 0.770 89.1 67.5 -58.7 -25.5 14.0 26.1 54.9 146 498 A L T << S+ 0 0 13 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.746 100.6 49.1 -65.3 -23.7 14.0 26.4 51.1 147 499 A C T < S+ 0 0 0 -3,-2.1 30,-2.5 -4,-0.3 2,-0.4 0.183 101.1 83.1-101.9 17.9 17.5 28.0 51.5 148 500 A I E < - E 0 176A 6 -3,-1.5 2,-0.3 28,-0.2 -54,-0.3 -0.965 54.6-165.7-128.7 138.5 18.9 25.2 53.8 149 501 A L E - E 0 175A 3 26,-2.1 26,-3.3 -2,-0.4 2,-0.4 -0.889 9.1-164.2-115.7 145.7 20.3 21.8 53.1 150 502 A R E -DE 92 174A 71 -58,-1.6 -58,-2.9 -2,-0.3 2,-0.4 -0.989 5.3-173.5-131.2 144.9 20.8 19.2 55.8 151 503 A M E -DE 91 173A 1 22,-2.5 22,-2.7 -2,-0.4 2,-0.4 -0.973 15.1-156.4-147.3 126.1 22.9 16.0 55.6 152 504 A S E -DE 90 172A 0 -62,-2.4 -62,-2.3 -2,-0.4 20,-0.3 -0.847 14.2-150.8 -95.5 131.9 23.4 13.1 57.9 153 505 A F S S+ 0 0 1 18,-2.5 19,-0.1 -2,-0.4 -1,-0.1 0.806 79.2 0.1 -77.7 -31.7 26.7 11.3 57.4 154 506 A V S S+ 0 0 22 17,-0.5 2,-0.4 1,-0.2 -66,-0.1 0.704 115.8 59.1-128.4 -38.8 26.0 7.7 58.4 155 507 A K - 0 0 81 16,-0.2 -1,-0.2 11,-0.1 2,-0.2 -0.826 65.5-142.5-102.8 135.7 22.5 7.0 59.5 156 508 A G - 0 0 5 -2,-0.4 2,-0.3 -3,-0.1 7,-0.3 -0.579 19.4-161.9 -85.8 156.4 19.5 7.7 57.3 157 509 A W + 0 0 25 -2,-0.2 7,-0.2 5,-0.1 3,-0.2 -0.827 37.0 75.0-131.1 173.1 16.3 8.9 59.0 158 510 A G S > S- 0 0 8 5,-2.8 3,-2.7 -2,-0.3 5,-0.3 -0.269 92.2 -36.9 109.4 166.0 12.7 9.0 58.0 159 511 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.661 131.6 48.0 -26.1 -55.1 9.7 6.6 57.7 160 512 A D T 3 S+ 0 0 156 -3,-0.2 -4,-0.1 2,-0.0 -2,-0.1 0.248 107.7 71.7 -83.4 17.6 11.7 3.5 56.5 161 513 A Y S < S- 0 0 91 -3,-2.7 -3,-0.2 2,-0.2 -4,-0.1 -0.920 87.9-117.1-131.2 155.8 14.3 4.0 59.2 162 514 A P S S+ 0 0 118 0, 0.0 2,-0.5 0, 0.0 -5,-0.1 0.526 97.7 80.4 -67.0 -7.1 14.4 3.5 63.0 163 515 A R - 0 0 66 -5,-0.3 -5,-2.8 -7,-0.3 -2,-0.2 -0.924 60.3-167.2-107.9 125.2 15.1 7.2 63.3 164 516 A Q S S+ 0 0 155 -2,-0.5 2,-0.3 -7,-0.2 -1,-0.1 0.878 72.2 20.4 -75.9 -40.1 12.2 9.7 63.0 165 517 A S S > S- 0 0 24 -7,-0.1 3,-1.5 1,-0.1 -1,-0.1 -0.860 74.3-114.5-131.6 164.4 14.2 12.9 62.6 166 518 A I G > S+ 0 0 6 -2,-0.3 3,-2.8 1,-0.3 -153,-0.2 0.853 112.4 67.7 -65.0 -31.8 17.7 14.0 61.6 167 519 A K G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -153,-0.1 -152,-0.1 0.517 93.1 62.8 -67.1 -0.4 18.4 15.2 65.1 168 520 A E G < S+ 0 0 60 -3,-1.5 -1,-0.3 -155,-0.2 -2,-0.2 0.410 84.5 96.2 -99.9 -2.8 18.3 11.5 66.0 169 521 A T S < S- 0 0 0 -3,-2.8 -156,-2.1 -156,-0.2 3,-0.2 -0.632 80.1-125.7 -88.6 150.0 21.3 10.8 63.8 170 522 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.682 90.9 13.3 -66.6 -22.1 24.8 10.7 65.4 171 523 A C S S+ 0 0 0 -159,-0.2 -18,-2.5 -5,-0.1 -17,-0.5 -0.829 74.1 140.9-163.1 118.3 26.4 13.2 63.1 172 524 A W E -BE 11 152A 8 -161,-2.4 -161,-3.3 -2,-0.3 2,-0.3 -0.956 29.9-135.2-152.2 167.3 24.9 15.7 60.6 173 525 A I E -BE 10 151A 0 -22,-2.7 -22,-2.5 -2,-0.3 2,-0.4 -0.899 3.3-150.0-130.1 155.8 25.2 19.1 59.2 174 526 A E E -BE 9 150A 26 -165,-2.1 -165,-2.3 -2,-0.3 2,-0.5 -1.000 17.5-158.4-124.9 123.5 22.9 22.0 58.4 175 527 A I E -BE 8 149A 2 -26,-3.3 -26,-2.1 -2,-0.4 2,-0.6 -0.937 2.8-155.5-111.0 121.0 24.0 24.2 55.5 176 528 A H E -BE 7 148A 49 -169,-2.7 -169,-1.3 -2,-0.5 2,-0.8 -0.875 12.5-143.2 -98.7 120.0 22.7 27.8 55.2 177 529 A L E > -B 6 0A 6 -30,-2.5 4,-2.1 -2,-0.6 -171,-0.2 -0.754 12.1-163.7 -85.3 109.8 22.8 29.1 51.6 178 530 A H H > S+ 0 0 48 -173,-1.8 4,-1.8 -2,-0.8 -1,-0.2 0.913 83.2 46.4 -64.1 -49.6 23.7 32.8 51.9 179 531 A R H > S+ 0 0 44 -174,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.914 112.5 52.6 -61.4 -41.7 22.8 34.1 48.4 180 532 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 109.2 50.0 -59.5 -43.0 19.5 32.2 48.6 181 533 A L H X S+ 0 0 49 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.815 105.8 56.2 -65.8 -32.5 18.8 33.9 52.0 182 534 A Q H X S+ 0 0 69 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.953 108.0 48.0 -63.7 -48.6 19.6 37.3 50.6 183 535 A L H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 110.6 51.9 -57.3 -43.1 16.9 36.8 47.9 184 536 A L H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.892 106.4 54.2 -61.3 -38.8 14.5 35.7 50.5 185 537 A D H X S+ 0 0 89 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.894 109.2 47.9 -61.9 -42.9 15.2 38.8 52.6 186 538 A E H >X S+ 0 0 107 -4,-1.9 3,-1.4 2,-0.2 4,-0.9 0.978 111.5 50.2 -60.4 -53.7 14.4 41.0 49.5 187 539 A V H >< S+ 0 0 11 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.914 106.7 55.0 -49.8 -51.9 11.1 39.0 48.9 188 540 A L H >< S+ 0 0 67 -4,-2.9 3,-0.7 1,-0.3 -1,-0.3 0.736 104.8 54.0 -56.4 -27.3 10.1 39.4 52.6 189 541 A H H << S+ 0 0 145 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.658 99.9 59.9 -83.2 -15.8 10.4 43.2 52.3 190 542 A T T << 0 0 106 -3,-1.7 -1,-0.2 -4,-0.9 -2,-0.2 -0.045 360.0 360.0 -97.1 28.6 8.1 43.2 49.3 191 543 A M < 0 0 89 -3,-0.7 -1,-0.2 0, 0.0 -2,-0.2 0.389 360.0 360.0-132.7 360.0 5.4 41.7 51.5