==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 24-FEB-12 4DWI . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR J.H.GAN,R.ABDUR,H.H.LIU,J.SHENG,J.CATON-WILLIANS,A.S.SOARES, . 581 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 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 . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.1 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 1 2 2 4 2 2 0 0 0 3 0 1 2 0 0 0 0 0 0 0 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 1 2 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 . 2 2 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 296 A G 0 0 142 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -88.5 -13.6 -42.4 47.0 2 297 A S - 0 0 100 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.649 360.0-124.5-121.1 173.7 -11.3 -41.0 49.7 3 298 A K - 0 0 180 -2,-0.2 2,-0.5 0, 0.0 147,-0.0 -0.978 12.5-141.9-126.3 132.6 -11.3 -38.2 52.3 4 299 A M - 0 0 32 -2,-0.4 2,-0.2 1,-0.0 150,-0.1 -0.803 25.3-124.0 -93.0 128.8 -8.9 -35.3 52.8 5 300 A A + 0 0 74 -2,-0.5 2,-0.3 148,-0.0 -1,-0.0 -0.440 45.5 144.2 -72.2 136.8 -8.0 -34.4 56.4 6 301 A F - 0 0 54 -2,-0.2 2,-0.6 41,-0.1 43,-0.2 -0.961 51.2 -98.3-164.3 157.6 -8.6 -30.8 57.5 7 302 A T E -a 49 0A 72 41,-3.3 43,-2.5 -2,-0.3 2,-1.5 -0.737 21.1-152.1 -82.4 116.4 -9.7 -28.8 60.6 8 303 A L E -a 50 0A 66 -2,-0.6 43,-0.1 41,-0.2 41,-0.1 -0.703 33.2-165.6 -81.1 86.0 -13.4 -27.8 60.5 9 304 A A - 0 0 9 -2,-1.5 43,-0.4 41,-1.4 3,-0.1 -0.324 28.8-170.2 -77.6 154.7 -12.7 -24.8 62.7 10 305 A D S S+ 0 0 111 1,-0.3 2,-0.3 41,-0.1 -1,-0.1 0.326 76.3 37.0-126.1 11.5 -15.3 -22.7 64.5 11 306 A R S S- 0 0 165 48,-0.0 2,-0.4 45,-0.0 -1,-0.3 -0.975 89.5-105.9-146.4 153.9 -13.1 -19.9 65.5 12 307 A V - 0 0 12 -2,-0.3 2,-0.3 43,-0.1 49,-0.1 -0.630 38.7-166.3 -76.8 131.4 -10.2 -18.2 63.8 13 308 A T > - 0 0 32 -2,-0.4 3,-1.6 1,-0.1 4,-0.1 -0.819 31.9-109.7-116.5 163.9 -6.9 -19.1 65.2 14 309 A E G > S+ 0 0 152 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.815 112.6 62.8 -59.9 -37.3 -3.4 -17.5 64.8 15 310 A E G > S+ 0 0 87 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.639 94.2 65.2 -66.5 -12.0 -1.9 -20.4 62.7 16 311 A M G < S+ 0 0 3 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.514 93.8 63.8 -81.7 -2.7 -4.6 -19.7 60.1 17 312 A L G < + 0 0 27 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.1 -0.053 68.3 146.8-118.3 30.0 -2.9 -16.3 59.5 18 313 A A < - 0 0 16 -3,-0.6 -3,-0.0 2,-0.1 3,-0.0 -0.130 62.6-107.9 -57.6 160.7 0.5 -17.4 58.2 19 314 A D S S+ 0 0 102 1,-0.1 53,-2.1 52,-0.1 2,-0.3 0.357 103.5 42.5 -86.3 11.1 2.1 -15.0 55.7 20 315 A K E S+b 72 0A 72 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.915 71.2 145.5-149.1 132.1 1.5 -17.5 52.7 21 316 A A E -b 73 0A 0 51,-1.7 53,-3.0 -2,-0.3 2,-0.4 -0.991 48.4-117.5-154.6 149.0 -1.6 -19.5 52.1 22 317 A A E -bC 74 43A 0 21,-2.9 21,-2.1 -2,-0.3 2,-0.4 -0.791 43.3-163.4 -79.6 137.0 -3.9 -20.9 49.5 23 318 A L E - C 0 42A 1 51,-2.7 2,-0.5 -2,-0.4 53,-0.4 -0.982 19.2-171.9-131.0 134.2 -7.3 -19.2 50.0 24 319 A V E + C 0 41A 9 17,-2.8 17,-2.1 -2,-0.4 2,-0.6 -0.973 5.6 177.3-126.2 117.8 -10.8 -20.0 48.8 25 320 A V E - C 0 40A 8 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.879 32.5-145.0-115.5 92.9 -13.5 -17.5 49.4 26 321 A E E + C 0 39A 19 13,-2.2 12,-2.8 -2,-0.6 13,-0.6 -0.483 28.8 174.4 -86.7 126.7 -16.3 -19.4 47.7 27 322 A V - 0 0 6 -2,-0.4 10,-0.1 10,-0.2 5,-0.1 -0.988 3.4-179.6-121.1 123.0 -19.1 -17.8 45.8 28 323 A V + 0 0 11 -2,-0.5 -1,-0.1 8,-0.4 9,-0.1 0.752 53.7 98.3 -97.2 -32.0 -21.4 -20.2 44.0 29 324 A E S S- 0 0 114 7,-0.3 6,-0.1 1,-0.1 -2,-0.1 -0.417 76.1-134.8 -51.9 130.6 -23.8 -17.8 42.3 30 325 A E S S+ 0 0 157 1,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.953 99.9 55.0 -60.4 -45.3 -22.6 -17.4 38.7 31 326 A N S S- 0 0 32 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.765 76.5-168.4 -90.3 110.3 -23.0 -13.6 39.0 32 327 A Y > + 0 0 3 -2,-0.8 3,-1.5 3,-0.1 2,-0.3 0.440 41.7 121.8 -84.3 -0.0 -21.0 -12.7 42.0 33 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.532 96.8 -13.0 -72.0 123.2 -22.1 -9.1 42.6 34 329 A D T 3 S+ 0 0 88 -2,-0.3 -1,-0.3 49,-0.3 50,-0.1 0.834 107.0 147.6 56.4 35.7 -23.6 -8.8 46.1 35 330 A A < - 0 0 7 -3,-1.5 -1,-0.2 1,-0.1 -3,-0.1 -0.600 51.5 -87.9-104.8 164.0 -23.7 -12.6 46.3 36 331 A P - 0 0 72 0, 0.0 2,-0.6 0, 0.0 -8,-0.4 -0.367 22.5-141.2 -75.2 144.0 -23.2 -14.9 49.2 37 332 A I - 0 0 10 -10,-0.1 -10,-0.2 1,-0.1 17,-0.1 -0.944 21.3-173.2 -93.6 118.9 -19.9 -16.2 50.4 38 333 A V - 0 0 31 -12,-2.8 2,-0.3 -2,-0.6 -11,-0.1 0.672 55.7 -17.2 -94.3 -13.5 -20.8 -19.8 51.3 39 334 A G E -C 26 0A 0 -13,-0.6 -13,-2.2 13,-0.1 2,-0.4 -0.963 54.0-133.4-179.7 162.3 -17.5 -21.0 52.9 40 335 A I E -CD 25 51A 0 11,-2.0 11,-2.6 -2,-0.3 2,-0.4 -0.991 13.5-169.9-135.7 139.9 -13.9 -20.3 53.3 41 336 A A E -CD 24 50A 0 -17,-2.1 -17,-2.8 -2,-0.4 2,-0.4 -0.995 1.7-175.0-134.0 137.1 -10.8 -22.6 53.1 42 337 A V E -CD 23 49A 0 7,-2.6 7,-2.9 -2,-0.4 2,-0.4 -0.999 2.1-178.5-128.8 131.6 -7.2 -21.8 54.0 43 338 A V E +CD 22 48A 6 -21,-2.1 -21,-2.9 -2,-0.4 2,-0.2 -0.998 20.9 144.4-130.4 128.2 -4.3 -24.2 53.5 44 339 A N E > - D 0 47A 6 3,-2.2 3,-0.9 -2,-0.4 -23,-0.1 -0.784 68.4 -68.8-144.7-171.2 -0.8 -23.1 54.7 45 340 A E T 3 S+ 0 0 155 -25,-0.5 3,-0.1 -2,-0.2 -24,-0.1 0.752 128.9 54.7 -58.9 -16.7 2.4 -24.6 56.2 46 341 A H T 3 S- 0 0 93 -31,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.693 117.2 -79.9 -96.4 -22.5 0.3 -25.4 59.4 47 342 A G E < - D 0 44A 24 -3,-0.9 -3,-2.2 -32,-0.1 2,-0.4 -0.994 50.7 -57.1 158.6-155.3 -2.6 -27.3 58.0 48 343 A R E - D 0 43A 94 -2,-0.3 -41,-3.3 -5,-0.2 2,-0.4 -0.988 47.0-174.6-131.3 130.9 -5.8 -27.2 56.3 49 344 A F E -aD 7 42A 2 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.4 -0.979 17.7-162.0-137.7 132.9 -8.8 -25.2 57.6 50 345 A F E -aD 8 41A 2 -43,-2.5 -41,-1.4 -2,-0.4 2,-0.4 -0.963 16.4-174.8-109.5 136.0 -12.4 -24.6 56.8 51 346 A L E - D 0 40A 0 -11,-2.6 -11,-2.0 -2,-0.4 -41,-0.1 -0.979 27.1-123.8-127.5 136.1 -14.3 -21.5 58.2 52 347 A R >> - 0 0 63 -2,-0.4 4,-2.5 -43,-0.4 3,-0.8 -0.628 28.1-127.5 -70.5 138.0 -17.9 -20.6 58.0 53 348 A P H 3> S+ 0 0 19 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.890 105.5 59.6 -59.1 -42.9 -18.1 -17.0 56.5 54 349 A E H 34 S+ 0 0 135 1,-0.2 4,-0.2 2,-0.2 -15,-0.0 0.774 114.2 39.5 -62.2 -24.5 -20.3 -15.5 59.3 55 350 A T H X4 S+ 0 0 43 -3,-0.8 3,-1.0 2,-0.1 4,-0.5 0.947 119.9 41.8 -80.7 -58.6 -17.5 -16.5 61.7 56 351 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 7,-0.3 0.876 115.2 48.9 -59.3 -43.8 -14.5 -15.6 59.6 57 352 A L T 3< S+ 0 0 30 -4,-3.4 -1,-0.2 1,-0.3 -3,-0.2 0.565 110.7 50.6 -81.7 -7.3 -15.8 -12.3 58.2 58 353 A A T < S+ 0 0 81 -3,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.405 89.8 101.7 -98.5 -4.6 -16.9 -11.0 61.6 59 354 A D <> - 0 0 35 -3,-1.1 4,-2.5 -4,-0.5 5,-0.2 -0.732 64.8-150.7 -89.7 120.3 -13.4 -11.8 63.0 60 355 A P H > S+ 0 0 104 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.862 94.5 45.2 -56.1 -44.4 -11.2 -8.7 63.3 61 356 A Q H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.869 113.4 50.1 -72.6 -36.7 -7.8 -10.5 62.8 62 357 A F H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.941 112.2 46.8 -62.1 -49.8 -9.1 -12.5 59.9 63 358 A V H X S+ 0 0 43 -4,-2.5 4,-2.1 -7,-0.3 -2,-0.2 0.896 112.9 50.1 -56.6 -43.0 -10.4 -9.4 58.2 64 359 A A H X S+ 0 0 63 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.885 110.0 51.4 -63.9 -38.6 -7.1 -7.7 58.9 65 360 A W H >< S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 6,-0.2 0.956 106.9 53.1 -63.3 -49.9 -5.3 -10.7 57.4 66 361 A L H 3< S+ 0 0 0 -4,-3.1 27,-3.2 1,-0.3 -2,-0.2 0.908 114.3 42.1 -46.2 -47.0 -7.5 -10.5 54.3 67 362 A G H 3< S+ 0 0 20 -4,-2.1 2,-0.9 25,-0.2 -1,-0.3 0.464 87.4 105.9 -86.6 -3.9 -6.6 -6.8 53.8 68 363 A D X< - 0 0 53 -3,-1.4 3,-1.9 -4,-0.5 25,-0.1 -0.692 54.9-160.7 -86.6 110.2 -2.9 -7.1 54.6 69 364 A E T 3 S+ 0 0 118 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.679 88.6 62.2 -58.5 -17.8 -0.9 -6.9 51.4 70 365 A T T 3 S+ 0 0 86 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.592 86.4 79.9 -90.3 -10.9 2.2 -8.5 53.1 71 366 A K S < S- 0 0 59 -3,-1.9 2,-0.3 -6,-0.2 -51,-0.2 -0.887 83.0-143.4 -97.2 106.7 0.2 -11.7 53.8 72 367 A K E -b 20 0A 64 -53,-2.1 -51,-1.7 -2,-0.8 2,-0.4 -0.530 16.2-166.5 -87.2 131.8 0.4 -13.5 50.4 73 368 A K E -be 21 95A 0 21,-2.3 23,-1.5 -2,-0.3 24,-1.4 -0.943 12.9-153.2-119.3 136.0 -2.5 -15.5 49.1 74 369 A S E +be 22 97A 0 -53,-3.0 -51,-2.7 -2,-0.4 2,-0.2 -0.903 34.9 155.7-101.9 132.3 -2.7 -18.0 46.2 75 370 A M E - e 0 98A 2 22,-2.7 24,-3.5 -2,-0.5 2,-0.4 -0.828 43.5-120.0-143.4 178.0 -6.1 -18.3 44.7 76 371 A F S S- 0 0 34 -53,-0.4 5,-0.1 22,-0.3 39,-0.1 -0.970 96.8 -3.2-129.4 120.3 -8.3 -19.1 41.7 77 372 A D S > S+ 0 0 31 -2,-0.4 4,-1.3 3,-0.1 3,-0.3 0.986 71.3 178.8 64.1 58.7 -10.4 -16.3 40.3 78 373 A S H > S+ 0 0 14 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.780 73.4 65.7 -64.0 -18.4 -9.4 -13.8 42.9 79 374 A K H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.925 99.5 50.9 -72.7 -38.9 -11.6 -11.1 41.2 80 375 A R H > S+ 0 0 51 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 115.5 42.3 -60.7 -44.7 -14.8 -13.1 42.0 81 376 A A H X S+ 0 0 3 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.927 114.0 51.6 -70.0 -46.5 -13.7 -13.3 45.7 82 377 A A H X S+ 0 0 17 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.852 112.1 46.3 -57.8 -39.0 -12.5 -9.7 45.8 83 378 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -49,-0.3 0.894 109.8 50.7 -72.9 -40.0 -15.8 -8.3 44.4 84 379 A A H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.886 113.8 48.0 -67.1 -31.6 -18.0 -10.4 46.6 85 380 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 3,-1.3 0.890 104.7 58.7 -70.1 -41.3 -16.0 -9.1 49.5 86 381 A K H ><5S+ 0 0 56 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.895 101.9 55.2 -53.2 -44.0 -16.2 -5.4 48.2 87 382 A W T 3<5S+ 0 0 48 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.728 107.9 50.7 -62.6 -22.0 -20.0 -5.7 48.5 88 383 A K T < 5S- 0 0 106 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.245 120.8-107.8 -97.9 11.8 -19.5 -6.7 52.1 89 384 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.739 79.2 129.0 71.4 20.6 -17.2 -3.7 52.9 90 385 A I < - 0 0 21 -5,-2.6 2,-0.4 -8,-0.1 -1,-0.2 -0.945 49.6-144.1-117.2 135.6 -14.1 -6.0 53.1 91 386 A E - 0 0 133 -2,-0.4 2,-0.5 -28,-0.1 -23,-0.1 -0.732 8.7-154.9 -97.3 131.4 -10.8 -5.4 51.2 92 387 A L + 0 0 26 -2,-0.4 2,-0.3 -10,-0.2 -25,-0.2 -0.930 24.4 163.5-107.9 131.1 -8.8 -8.3 49.8 93 388 A C + 0 0 25 -27,-3.2 -25,-0.2 -2,-0.5 3,-0.1 -0.892 40.3 46.9-139.1 170.2 -5.1 -7.8 49.4 94 389 A G + 0 0 10 -2,-0.3 -21,-2.3 1,-0.2 2,-0.8 0.652 55.5 160.1 73.5 18.8 -1.8 -9.6 48.8 95 390 A V E +e 73 0A 37 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.633 4.8 167.7 -69.2 106.5 -3.0 -12.0 46.1 96 391 A S E + 0 0 40 -23,-1.5 2,-0.3 -2,-0.8 -22,-0.2 0.552 62.2 34.5-103.0 -5.0 0.4 -13.0 44.6 97 392 A F E -e 74 0A 0 -24,-1.4 -22,-2.7 87,-0.1 2,-0.5 -0.941 56.5-171.7-151.1 123.8 -0.9 -15.9 42.4 98 393 A D E > -e 75 0A 2 -2,-0.3 4,-2.3 -24,-0.2 -22,-0.3 -0.958 9.1-161.8-117.0 111.1 -4.2 -16.5 40.5 99 394 A L H > S+ 0 0 0 -24,-3.5 4,-2.6 -2,-0.5 5,-0.2 0.794 89.3 56.2 -65.0 -32.1 -4.5 -20.0 39.2 100 395 A L H > S+ 0 0 21 -25,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.965 111.4 42.5 -65.6 -48.7 -7.2 -19.1 36.7 101 396 A L H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.835 113.7 52.5 -67.4 -31.8 -5.0 -16.4 35.1 102 397 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.937 111.6 46.1 -66.6 -47.4 -2.0 -18.7 35.2 103 398 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.934 110.8 55.0 -59.1 -46.2 -3.9 -21.5 33.4 104 399 A Y H < S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 108.8 45.6 -50.4 -51.3 -5.3 -18.9 30.9 105 400 A L H < S+ 0 0 1 -4,-1.8 370,-0.5 2,-0.2 -1,-0.2 0.901 112.6 51.4 -61.1 -41.2 -1.8 -17.7 29.9 106 401 A L H < S- 0 0 2 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.865 136.8 -6.9 -69.8 -36.4 -0.5 -21.2 29.5 107 402 A D >< - 0 0 29 -4,-2.6 3,-1.5 -5,-0.2 4,-0.3 -0.508 54.4-176.3-163.4 97.1 -3.3 -22.2 27.3 108 403 A P G > S+ 0 0 10 0, 0.0 3,-0.9 0, 0.0 -3,-0.1 0.731 86.7 65.2 -62.2 -24.3 -6.4 -20.1 26.6 109 404 A A G 3 S+ 0 0 67 1,-0.2 -5,-0.1 208,-0.1 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3,-1.9 0.880 100.0 63.3 -59.1 -43.2 -5.5 -29.0 38.1 120 415 A K H ><5S+ 0 0 123 -4,-2.2 3,-1.9 1,-0.3 -1,-0.3 0.802 88.8 70.5 -51.0 -30.2 -6.1 -31.5 35.2 121 416 A M T <<5S+ 0 0 44 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.756 107.4 35.7 -65.1 -21.6 -3.4 -29.5 33.2 122 417 A K T < 5S- 0 0 57 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.017 121.2-103.0-119.9 26.3 -0.7 -30.9 35.5 123 418 A Q T < 5S+ 0 0 161 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.737 76.4 138.6 65.7 24.9 -2.3 -34.3 36.1 124 419 A Y < + 0 0 49 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.909 15.4 161.2-100.9 121.7 -3.6 -33.5 39.5 125 420 A E + 0 0 123 -2,-0.6 2,-0.9 -3,-0.1 -1,-0.1 0.217 34.0 114.7-128.9 14.9 -7.0 -34.9 39.9 126 421 A A S S+ 0 0 44 28,-0.1 2,-0.3 -7,-0.1 32,-0.1 -0.122 70.2 67.2 -77.6 39.3 -7.5 -35.0 43.7 127 422 A V S S- 0 0 12 -2,-0.9 24,-0.1 -11,-0.1 -8,-0.0 -0.967 80.3-120.9-157.2 142.2 -10.4 -32.4 43.5 128 423 A R - 0 0 119 -2,-0.3 -12,-0.4 1,-0.1 -13,-0.1 -0.613 31.0-102.8 -88.3 145.6 -13.9 -32.6 42.0 129 424 A P >> - 0 0 63 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.441 33.3-121.6 -56.2 138.8 -15.3 -30.3 39.2 130 425 A D H 3> S+ 0 0 30 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.818 112.2 60.5 -51.4 -34.7 -17.6 -27.7 40.7 131 426 A E H 3> S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 100.2 54.1 -68.3 -35.5 -20.4 -29.0 38.6 132 427 A A H <4 S+ 0 0 58 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.815 117.4 37.2 -59.7 -36.6 -20.2 -32.4 40.2 133 428 A V H < S+ 0 0 16 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.870 129.1 29.1 -86.4 -42.2 -20.5 -30.8 43.7 134 429 A Y H < S- 0 0 7 -4,-3.5 7,-2.6 1,-0.2 -3,-0.2 0.720 103.0-125.8 -94.9 -22.2 -23.0 -28.1 42.9 135 430 A G < - 0 0 24 -4,-2.1 -1,-0.2 -5,-0.4 3,-0.1 -0.171 31.3 -67.6 89.2 170.5 -25.1 -29.5 40.1 136 431 A K S S- 0 0 185 1,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.984 85.3 -52.9 -67.0 -75.6 -26.0 -28.2 36.6 137 432 A G S S+ 0 0 46 -3,-0.0 -1,-0.2 -6,-0.0 4,-0.1 -0.901 118.3 12.3-171.7 139.8 -28.3 -25.1 36.8 138 433 A A S S+ 0 0 121 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.488 131.4 53.9 55.6 -2.0 -31.6 -24.5 38.5 139 434 A K S S+ 0 0 184 2,-0.0 -1,-0.2 -5,-0.0 -3,-0.0 0.412 82.0 118.4-113.1 -25.2 -30.8 -27.7 40.3 140 435 A R + 0 0 88 -5,-0.1 2,-0.3 1,-0.0 -5,-0.2 -0.116 43.3 166.2 -33.2 112.3 -27.4 -26.1 41.2 141 436 A A - 0 0 56 -7,-2.6 -2,-0.0 -8,-0.1 -1,-0.0 -0.955 44.8-109.5-134.7 153.8 -27.5 -26.1 45.0 142 437 A V - 0 0 70 -2,-0.3 3,-0.1 1,-0.0 -8,-0.1 -0.772 45.3-137.0 -76.2 128.9 -25.0 -25.5 47.8 143 438 A P - 0 0 31 0, 0.0 -9,-0.0 0, 0.0 -1,-0.0 -0.209 31.7 -68.6 -80.5 179.4 -24.6 -28.9 49.4 144 439 A D >> - 0 0 130 1,-0.1 4,-2.6 4,-0.1 3,-0.8 -0.255 55.1 -96.6 -66.2 155.6 -24.4 -29.7 53.1 145 440 A E H 3> S+ 0 0 70 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.751 118.8 50.3 -48.4 -41.5 -21.5 -28.6 55.2 146 441 A P H 3> S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.934 115.7 43.7 -70.1 -32.3 -19.4 -31.8 55.2 147 442 A V H <> S+ 0 0 65 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.950 118.3 45.1 -69.6 -47.2 -19.6 -32.1 51.4 148 443 A L H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.925 112.3 50.4 -59.8 -49.1 -19.0 -28.3 50.9 149 444 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.915 110.3 47.9 -63.4 -46.0 -16.1 -28.1 53.4 150 445 A E H X S+ 0 0 44 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.898 111.9 51.9 -62.4 -40.3 -14.1 -31.0 52.0 151 446 A H H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.948 110.7 45.8 -59.4 -49.6 -14.6 -29.6 48.4 152 447 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 113.7 50.1 -63.6 -39.0 -13.3 -26.1 49.3 153 448 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.916 109.0 51.6 -64.7 -39.3 -10.4 -27.6 51.2 154 449 A R H X S+ 0 0 37 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.929 110.9 47.9 -64.4 -43.1 -9.5 -29.9 48.2 155 450 A K H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.924 113.1 47.5 -58.8 -46.9 -9.5 -26.8 45.9 156 451 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.911 110.8 52.5 -61.9 -44.6 -7.3 -24.8 48.3 157 452 A A H X S+ 0 0 5 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.917 110.9 47.7 -53.6 -47.0 -5.0 -27.9 48.6 158 453 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.941 110.7 50.0 -62.3 -49.1 -4.8 -28.0 44.7 159 454 A I H X S+ 0 0 1 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.932 111.4 50.3 -53.8 -50.2 -4.0 -24.3 44.5 160 455 A W H < S+ 0 0 72 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.894 116.8 40.2 -55.2 -46.5 -1.3 -24.7 47.2 161 456 A E H < S+ 0 0 109 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.826 114.1 51.8 -76.6 -32.7 0.3 -27.6 45.3 162 457 A L H X S+ 0 0 6 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.556 84.0 83.0 -87.8 -9.5 0.0 -26.3 41.8 163 458 A E H X S+ 0 0 25 -4,-1.1 4,-3.2 -3,-0.3 5,-0.3 0.961 91.5 51.3 -55.5 -55.3 1.5 -22.8 42.1 164 459 A R H > S+ 0 0 161 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.942 113.7 41.5 -49.5 -59.2 5.1 -24.1 41.7 165 460 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.876 116.0 50.0 -63.0 -35.9 4.5 -26.1 38.5 166 461 A F H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.974 113.3 45.6 -64.2 -49.6 2.3 -23.3 37.0 167 462 A L H X S+ 0 0 36 -4,-3.2 4,-3.1 -5,-0.2 -1,-0.2 0.882 110.3 54.9 -57.3 -41.4 5.0 -20.7 37.7 168 463 A D H X S+ 0 0 64 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.909 112.0 43.0 -59.5 -46.2 7.8 -23.0 36.4 169 464 A E H X S+ 0 0 42 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.933 113.3 51.6 -68.9 -44.5 6.0 -23.4 33.0 170 465 A L H <>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 6,-0.5 0.959 110.6 49.6 -50.9 -52.0 5.1 -19.7 32.9 171 466 A R H ><5S+ 0 0 178 -4,-3.1 3,-1.7 4,-0.2 -2,-0.2 0.921 109.4 50.7 -54.3 -45.7 8.8 -18.9 33.5 172 467 A R H 3<5S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 112.5 47.2 -58.6 -40.7 9.8 -21.4 30.7 173 468 A N T 3<5S- 0 0 22 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.358 114.7-119.5 -75.6 1.5 7.4 -19.6 28.3 174 469 A E T < 5S+ 0 0 125 -3,-1.7 -3,-0.2 -4,-0.2 4,-0.2 0.847 84.0 117.1 47.5 44.4 8.7 -16.2 29.5 175 470 A Q >< + 0 0 0 -5,-2.8 4,-2.2 -6,-0.2 -4,-0.2 0.240 35.2 98.0-117.4 10.1 5.2 -15.4 30.7 176 471 A D H > S+ 0 0 44 -6,-0.5 4,-2.8 2,-0.2 5,-0.2 0.918 88.8 44.0 -67.4 -45.7 5.9 -14.9 34.5 177 472 A R H >>S+ 0 0 159 2,-0.2 4,-2.9 1,-0.2 5,-0.8 0.887 109.0 60.1 -64.1 -37.0 6.0 -11.1 34.3 178 473 A L H >>S+ 0 0 9 1,-0.2 5,-2.7 3,-0.2 4,-0.9 0.951 113.8 36.2 -52.5 -48.1 2.9 -11.3 32.0 179 474 A L 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5,-0.1 -0.865 79.3 -31.3 -92.7 111.8 -6.7 5.4 16.5 361 656 A Q S > S+ 0 0 73 -2,-0.7 4,-2.0 1,-0.1 -1,-0.2 0.880 77.2 167.1 47.4 49.4 -6.1 2.3 14.3 362 657 A I H > S+ 0 0 6 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.894 71.6 53.0 -56.9 -38.7 -4.0 0.5 17.0 363 658 A E H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.943 111.3 43.7 -66.0 -48.5 -4.2 -2.8 15.1 364 659 A L H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.814 114.7 51.0 -64.3 -37.0 -2.9 -1.4 11.9 365 660 A R H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.866 110.6 48.5 -67.2 -40.9 -0.2 0.5 13.8 366 661 A V H X S+ 0 0 2 -4,-3.2 4,-3.5 2,-0.2 5,-0.2 0.935 110.3 52.4 -61.2 -46.5 0.8 -2.7 15.6 367 662 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 6,-0.3 0.905 107.3 51.5 -55.7 -45.4 0.9 -4.5 12.3 368 663 A A H X>S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 5,-0.7 0.897 113.7 46.0 -56.3 -44.2 3.2 -1.7 10.9 369 664 A H H <5S+ 0 0 25 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.917 116.6 41.8 -65.8 -47.8 5.4 -2.3 13.9 370 665 A I H <5S+ 0 0 47 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.895 122.4 38.1 -68.4 -42.1 5.5 -6.1 13.8 371 666 A A H <5S- 0 0 13 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.579 94.3-143.0 -83.7 -15.7 5.9 -6.5 10.0 372 667 A E T <5 - 0 0 100 -4,-0.9 2,-0.7 -5,-0.3 -3,-0.2 0.874 28.8-179.8 46.2 45.6 8.2 -3.4 9.8 373 668 A D >< - 0 0 2 -5,-0.7 4,-2.6 -6,-0.3 5,-0.3 -0.631 22.8-148.0 -75.9 118.6 6.6 -2.5 6.5 374 669 A D H > S+ 0 0 123 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.889 94.8 42.8 -52.5 -43.4 8.4 0.6 5.3 375 670 A N H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 114.0 49.1 -78.9 -34.0 5.4 2.1 3.5 376 671 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 112.5 49.6 -64.2 -41.1 2.8 1.2 6.2 377 672 A M H X S+ 0 0 9 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.818 109.7 50.8 -67.8 -39.0 5.1 2.8 8.9 378 673 A E H X S+ 0 0 80 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.890 105.7 57.2 -62.7 -43.1 5.5 5.9 6.8 379 674 A A H <>S+ 0 0 1 -4,-2.0 5,-2.7 1,-0.2 -2,-0.2 0.924 112.2 39.3 -56.7 -46.9 1.7 6.2 6.4 380 675 A F H ><5S+ 0 0 4 -4,-1.7 3,-1.4 3,-0.2 -1,-0.2 0.806 112.4 57.1 -72.1 -32.2 1.2 6.3 10.2 381 676 A R H 3<5S+ 0 0 132 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.880 110.6 44.6 -65.1 -33.0 4.3 8.5 10.7 382 677 A R T 3<5S- 0 0 150 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.160 112.7-129.5 -90.4 18.2 2.6 10.9 8.3 383 678 A D T < 5 + 0 0 76 -3,-1.4 -3,-0.2 1,-0.1 -4,-0.1 0.793 45.6 175.9 35.1 48.7 -0.6 10.4 10.3 384 679 A L < - 0 0 56 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.1 -0.338 46.6 -97.1 -80.5 159.2 -2.5 9.7 7.1 385 680 A D > - 0 0 74 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.662 43.4-152.5 -69.4 111.7 -6.1 8.6 6.7 386 681 A I H > S+ 0 0 4 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.832 87.4 49.3 -71.8 -31.8 -5.2 4.9 6.3 387 682 A H H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 112.1 47.6 -72.1 -40.4 -8.1 3.9 4.3 388 683 A T H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.928 111.8 52.2 -64.2 -41.3 -7.6 6.7 1.8 389 684 A K H X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.898 109.2 49.0 -60.0 -41.9 -3.9 5.9 1.6 390 685 A T H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.864 109.7 52.1 -66.8 -37.4 -4.6 2.2 0.8 391 686 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 6,-0.2 0.928 108.9 51.0 -61.5 -45.2 -7.1 3.2 -1.9 392 687 A M H X>S+ 0 0 46 -4,-2.4 5,-1.3 1,-0.2 4,-0.7 0.952 115.4 41.5 -57.3 -51.8 -4.4 5.4 -3.5 393 688 A D H ><5S+ 0 0 31 -4,-2.5 3,-0.6 3,-0.2 -2,-0.2 0.931 118.0 44.1 -63.8 -48.9 -1.9 2.6 -3.5 394 689 A I H 3<5S+ 0 0 10 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 125.8 32.6 -69.0 -36.2 -4.2 -0.2 -4.6 395 690 A F H 3<5S- 0 0 65 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.439 101.8-132.2 -93.7 4.3 -5.9 1.9 -7.3 396 691 A Q T <<5 + 0 0 147 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.937 59.8 133.1 35.4 60.1 -2.7 3.9 -8.1 397 692 A V < - 0 0 33 -5,-1.3 -1,-0.2 -6,-0.2 2,-0.1 -0.833 58.8-103.9-120.3 169.5 -4.6 7.2 -8.0 398 693 A S > - 0 0 47 -2,-0.3 3,-1.7 -3,-0.1 4,-0.2 -0.468 44.5 -94.1 -83.9 164.1 -3.7 10.6 -6.3 399 694 A E G > S+ 0 0 139 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.900 123.4 45.2 -49.2 -53.2 -5.5 11.7 -3.1 400 695 A D G 3 S+ 0 0 151 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.537 103.5 65.6 -80.3 1.9 -8.3 13.8 -4.8 401 696 A E G < S+ 0 0 114 -3,-1.7 2,-0.7 2,-0.1 -1,-0.3 0.326 77.1 109.6 -88.9 6.2 -8.9 11.1 -7.3 402 697 A V < - 0 0 28 -3,-1.9 -10,-0.1 -4,-0.2 -14,-0.0 -0.742 57.7-156.0 -87.9 116.0 -10.1 8.8 -4.5 403 698 A T > - 0 0 67 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.376 28.6-108.8 -82.9 165.0 -13.9 8.2 -4.8 404 699 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.885 121.7 50.1 -61.3 -33.3 -16.1 7.3 -1.8 405 700 A N H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.877 108.4 53.1 -73.9 -34.7 -16.6 3.8 -3.3 406 701 A M H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 109.7 47.7 -59.4 -44.3 -12.8 3.4 -3.7 407 702 A R H X S+ 0 0 82 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.899 109.7 54.0 -68.4 -38.1 -12.2 4.3 -0.1 408 703 A R H X S+ 0 0 141 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.895 109.1 47.0 -62.0 -44.4 -14.9 1.9 1.0 409 704 A Q H X S+ 0 0 25 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.901 113.4 49.0 -60.3 -47.8 -13.3 -1.1 -0.9 410 705 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.797 107.6 55.4 -65.8 -28.3 -9.8 -0.2 0.6 411 706 A K H X S+ 0 0 89 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.928 107.5 49.0 -64.2 -50.3 -11.3 0.0 4.1 412 707 A A H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.841 109.5 52.6 -59.8 -34.6 -12.6 -3.5 3.7 413 708 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.933 107.4 51.8 -69.0 -43.6 -9.2 -4.6 2.5 414 709 A N H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.922 109.9 48.9 -56.9 -47.3 -7.6 -3.1 5.6 415 710 A F H X S+ 0 0 94 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.930 112.2 49.1 -56.8 -45.2 -10.1 -5.0 7.8 416 711 A G H X S+ 0 0 14 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.887 105.4 58.2 -60.4 -40.3 -9.3 -8.2 5.9 417 712 A I H < S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.945 111.9 39.9 -60.2 -44.6 -5.6 -7.7 6.3 418 713 A V H < S+ 0 0 6 -4,-1.9 84,-0.2 1,-0.2 -1,-0.2 0.911 115.7 50.5 -73.7 -33.7 -5.8 -7.6 10.0 419 714 A Y H < S- 0 0 125 -4,-2.5 79,-0.4 -5,-0.2 -1,-0.2 0.709 132.0 -83.9 -71.6 -18.3 -8.3 -10.4 10.3 420 715 A G < - 0 0 6 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.1 0.494 56.4-106.5 103.0 95.8 -6.2 -12.7 8.0 421 716 A I - 0 0 27 -4,-0.4 2,-0.4 73,-0.1 3,-0.1 -0.196 39.6-179.3 -70.0 142.9 -7.0 -11.9 4.4 422 717 A S > - 0 0 31 1,-0.2 4,-3.1 72,-0.0 5,-0.3 -0.982 28.2-146.0-140.3 127.7 -9.1 -14.2 2.3 423 718 A D H > S+ 0 0 48 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.946 107.4 44.3 -59.1 -42.2 -10.1 -13.7 -1.3 424 719 A Y H > S+ 0 0 153 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.912 114.4 49.7 -62.5 -45.0 -13.5 -15.4 -0.6 425 720 A G H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.902 113.7 44.4 -62.5 -44.1 -13.9 -13.5 2.7 426 721 A L H X S+ 0 0 8 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.924 112.8 52.3 -66.1 -44.8 -13.2 -10.1 1.1 427 722 A A H X>S+ 0 0 7 -4,-2.4 5,-1.9 -5,-0.3 4,-0.8 0.888 111.9 46.0 -58.2 -44.8 -15.4 -11.0 -2.0 428 723 A Q H ><5S+ 0 0 108 -4,-2.7 3,-0.8 3,-0.2 -1,-0.2 0.949 114.0 48.6 -62.4 -48.4 -18.3 -11.9 0.3 429 724 A N H 3<5S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 120.5 36.1 -60.3 -38.2 -17.7 -8.7 2.4 430 725 A L H 3<5S- 0 0 28 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.493 104.7-123.8 -92.9 -2.4 -17.6 -6.5 -0.7 431 726 A N T <<5S+ 0 0 111 -4,-0.8 2,-0.2 -3,-0.8 -3,-0.2 0.937 74.7 113.8 46.0 54.2 -20.1 -8.3 -2.7 432 727 A I S - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.594 33.0-113.8 -99.1 162.5 -16.1 -12.0 -7.0 434 729 A R H > S+ 0 0 93 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.920 116.5 54.8 -62.5 -38.8 -13.0 -13.9 -5.7 435 730 A K H > S+ 0 0 147 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.925 110.2 45.6 -61.5 -42.0 -11.0 -13.1 -8.7 436 731 A E H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.886 114.6 49.0 -67.3 -37.9 -11.6 -9.4 -8.2 437 732 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.935 106.8 56.3 -61.2 -49.2 -10.8 -9.7 -4.5 438 733 A A H X S+ 0 0 27 -4,-3.7 4,-2.7 1,-0.2 -2,-0.2 0.876 106.8 49.5 -53.2 -40.6 -7.6 -11.6 -5.3 439 734 A E H X S+ 0 0 124 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.866 108.7 50.9 -70.1 -37.8 -6.4 -8.8 -7.4 440 735 A F H X S+ 0 0 34 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.976 113.8 47.7 -55.1 -51.7 -7.1 -6.1 -4.7 441 736 A I H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.901 111.4 48.8 -55.7 -45.8 -5.2 -8.4 -2.3 442 737 A E H X S+ 0 0 92 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.891 111.4 49.8 -63.4 -40.4 -2.4 -8.8 -4.8 443 738 A R H X S+ 0 0 34 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.886 107.5 55.9 -65.9 -39.9 -2.3 -5.0 -5.3 444 739 A Y H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 3,-0.3 0.946 107.2 48.3 -53.4 -51.9 -2.2 -4.6 -1.4 445 740 A F H < S+ 0 0 24 -4,-2.3 7,-0.2 1,-0.2 -1,-0.2 0.790 107.2 55.4 -67.0 -26.4 1.0 -6.8 -1.1 446 741 A E H < S+ 0 0 108 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.6 41.8 -71.2 -33.8 2.8 -4.9 -3.9 447 742 A S H < S+ 0 0 12 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.770 128.0 31.3 -79.5 -24.2 2.2 -1.7 -2.0 448 743 A F >X + 0 0 0 -4,-1.8 4,-1.7 -5,-0.1 3,-1.0 -0.533 65.1 161.4-135.9 64.2 3.0 -3.3 1.4 449 744 A P H 3> S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.751 74.8 60.3 -65.2 -25.7 5.6 -6.0 0.8 450 745 A G H 3> S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -77,-0.1 0.840 105.1 50.1 -65.5 -34.5 6.7 -6.1 4.5 451 746 A V H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.897 109.2 49.3 -71.3 -44.6 3.2 -7.0 5.4 452 747 A K H X S+ 0 0 81 -4,-1.7 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