==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 28-DEC-09 3L7I . COMPND 2 MOLECULE: TEICHOIC ACID BIOSYNTHESIS PROTEIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR N.C.J.STRYNADKA,A.L.LOVERING . 1641 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 80686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1147 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 198 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 155 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 223 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 494 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.2 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 5 7 4 4 6 9 8 2 4 5 0 4 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 15 14 7 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 . 9 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 4 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 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 A 0 0 105 0, 0.0 2,-0.6 0, 0.0 826,-0.2 0.000 360.0 360.0 360.0 -0.0 -107.5 58.4 31.3 2 314 A F B -A 826 0A 47 824,-1.1 824,-1.7 4,-0.0 1253,-0.0 -0.916 360.0-137.6-119.0 110.8 -110.0 59.1 28.5 3 315 A K > - 0 0 138 -2,-0.6 4,-1.8 822,-0.2 5,-0.1 -0.310 11.7-134.1 -61.9 142.3 -113.7 59.5 29.2 4 316 A V H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 102.3 56.6 -68.6 -38.8 -116.2 57.9 26.7 5 317 A N H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 110.9 43.5 -62.7 -35.7 -118.5 60.9 26.4 6 318 A Q H > S+ 0 0 63 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.891 110.3 56.6 -70.4 -39.3 -115.5 63.1 25.2 7 319 A F H X S+ 0 0 5 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.858 107.0 49.6 -62.1 -36.1 -114.3 60.4 22.9 8 320 A R H X S+ 0 0 97 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.944 114.2 43.3 -65.8 -50.4 -117.6 60.3 21.2 9 321 A K H X S+ 0 0 46 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.851 112.3 56.7 -59.6 -34.7 -117.7 64.0 20.7 10 322 A T H X S+ 0 0 26 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.934 106.8 46.4 -67.2 -46.0 -114.1 63.8 19.7 11 323 A L H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.897 110.1 54.3 -63.4 -37.9 -114.7 61.4 16.9 12 324 A R H X S+ 0 0 108 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.926 107.3 50.5 -64.5 -41.8 -117.7 63.4 15.6 13 325 A H H X S+ 0 0 36 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.831 107.1 53.1 -64.6 -34.5 -115.6 66.5 15.4 14 326 A V H X S+ 0 0 7 -4,-1.6 4,-3.0 2,-0.2 5,-0.4 0.962 109.2 51.6 -63.1 -50.8 -112.8 64.8 13.4 15 327 A K H X S+ 0 0 64 -4,-2.2 4,-2.8 1,-0.2 6,-0.3 0.950 112.4 44.4 -46.6 -59.7 -115.5 63.6 11.0 16 328 A N H X>S+ 0 0 14 -4,-2.6 4,-0.9 1,-0.2 5,-0.8 0.854 114.0 50.2 -59.8 -38.2 -116.9 67.2 10.5 17 329 A I H <5S+ 0 0 52 -4,-2.5 3,-0.4 2,-0.2 -1,-0.2 0.966 117.4 37.0 -64.4 -52.4 -113.4 68.7 10.2 18 330 A V H <5S+ 0 0 11 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.3 48.7 -70.9 -33.9 -112.1 66.3 7.5 19 331 A L H <5S- 0 0 28 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.596 104.8-129.1 -81.1 -10.5 -115.5 66.0 5.7 20 332 A R T <5 + 0 0 178 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.713 44.6 171.2 67.9 20.2 -115.9 69.8 5.7 21 333 A R > < - 0 0 93 -5,-0.8 3,-1.0 -6,-0.3 -1,-0.2 -0.245 40.8-127.6 -52.1 146.7 -119.4 69.4 7.1 22 334 A K T > S+ 0 0 194 1,-0.3 3,-0.9 2,-0.1 4,-0.2 0.652 103.6 73.2 -79.5 -15.4 -120.9 72.8 8.2 23 335 A N T 3> + 0 0 64 1,-0.2 4,-2.2 2,-0.1 3,-0.4 0.325 64.5 101.9 -80.6 9.2 -121.7 71.4 11.6 24 336 A K H <> S+ 0 0 90 -3,-1.0 4,-2.0 -8,-0.2 -1,-0.2 0.901 75.9 57.4 -60.7 -34.0 -118.0 71.6 12.3 25 337 A E H <> S+ 0 0 58 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.876 108.9 47.2 -63.2 -31.8 -118.7 74.8 14.3 26 338 A R H > S+ 0 0 54 -3,-0.4 4,-2.6 -4,-0.2 -1,-0.2 0.873 108.7 50.0 -79.0 -41.7 -121.1 72.8 16.5 27 339 A S H X S+ 0 0 9 -4,-2.2 4,-1.0 2,-0.2 -14,-0.2 0.867 110.8 52.1 -68.0 -34.6 -118.9 69.8 17.2 28 340 A L H >X S+ 0 0 72 -4,-2.0 4,-1.8 -5,-0.3 3,-0.5 0.949 111.5 46.6 -61.6 -46.3 -116.1 72.1 18.2 29 341 A Y H 3X S+ 0 0 9 -4,-1.5 4,-0.9 1,-0.3 -2,-0.2 0.899 108.2 54.9 -62.5 -43.0 -118.5 73.9 20.6 30 342 A D H 3< S+ 0 0 41 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.757 110.9 50.2 -61.3 -23.9 -119.8 70.6 22.0 31 343 A L H << S+ 0 0 34 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.890 116.6 32.7 -83.3 -41.9 -116.2 69.8 22.8 32 344 A T H < S+ 0 0 70 -4,-1.8 2,-1.2 -5,-0.1 -2,-0.2 0.294 80.2 125.8-104.5 8.7 -115.0 72.8 24.6 33 345 A D < + 0 0 30 -4,-0.9 2,-0.3 -5,-0.2 -4,-0.0 -0.565 36.2 168.0 -75.4 101.0 -118.2 73.7 26.3 34 346 A K > - 0 0 127 -2,-1.2 3,-1.9 1,-0.1 4,-0.2 -0.818 49.7-120.3-112.9 151.0 -117.1 73.9 30.0 35 347 A E G > S+ 0 0 107 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.728 111.0 69.5 -58.8 -18.8 -119.0 75.3 32.9 36 348 A D G 3 S+ 0 0 157 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.552 80.4 74.5 -77.4 -7.0 -116.0 77.7 33.3 37 349 A N G < + 0 0 49 -3,-1.9 2,-0.5 67,-0.1 -1,-0.2 0.657 68.4 113.3 -80.2 -14.3 -116.8 79.6 30.1 38 350 A V < - 0 0 19 -3,-0.9 68,-0.2 -4,-0.2 67,-0.2 -0.442 49.4-164.1 -71.0 112.2 -119.7 81.4 31.7 39 351 A K E > -b 106 0B 98 66,-2.5 3,-2.1 -2,-0.5 68,-0.6 -0.866 16.5-143.7 -90.3 111.8 -119.3 85.1 32.1 40 352 A P E 3 S+ 0 0 36 0, 0.0 67,-0.1 0, 0.0 -1,-0.1 0.747 94.7 55.4 -49.0 -30.0 -122.0 86.2 34.6 41 353 A K E 3 S+ 0 0 104 65,-0.1 31,-2.5 66,-0.1 2,-0.5 0.246 85.4 99.2 -94.7 19.8 -122.6 89.6 32.9 42 354 A T E < - c 0 72B 3 -3,-2.1 65,-2.0 63,-0.3 66,-1.2 -0.878 48.1-177.6-103.0 131.7 -123.4 88.1 29.4 43 355 A I E -bc 108 73B 0 29,-2.6 31,-2.5 -2,-0.5 2,-0.4 -0.992 11.2-153.3-129.4 131.9 -127.0 87.7 28.3 44 356 A V E -bc 109 74B 0 64,-2.5 66,-2.6 -2,-0.4 2,-0.4 -0.872 9.5-168.7-102.9 142.4 -128.4 86.2 25.0 45 357 A F E +bc 110 75B 0 29,-2.2 31,-2.3 -2,-0.4 2,-0.3 -0.948 11.9 163.6-124.2 144.4 -131.7 87.1 23.4 46 358 A E E -b 111 0B 1 64,-1.5 66,-0.8 -2,-0.4 2,-0.4 -0.901 15.6-161.5-157.2 128.5 -133.6 85.5 20.6 47 359 A S B >>>S-H 52 0C 0 5,-0.8 3,-1.2 29,-0.3 5,-1.1 -0.937 75.3 -5.2-113.9 145.1 -137.1 85.8 19.4 48 360 A F G >45S- 0 0 72 -2,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.843 129.1 -55.4 41.2 49.5 -138.9 83.3 17.2 49 361 A G G 345S- 0 0 14 1,-0.2 -1,-0.3 -3,-0.2 28,-0.0 0.831 106.8 -52.7 59.5 31.3 -135.7 81.2 16.7 50 362 A G G <45S+ 0 0 1 -3,-1.2 28,-2.6 2,-0.2 29,-0.5 0.716 104.3 120.9 86.1 23.0 -133.9 84.3 15.4 51 363 A K T <<5S+ 0 0 120 -4,-1.1 2,-0.3 -3,-0.6 -3,-0.1 0.735 76.9 15.2 -83.7 -17.4 -136.2 85.5 12.7 52 364 A N B < -H 47 0C 40 -5,-1.1 -5,-0.8 24,-0.2 2,-0.7 -0.914 59.1-123.2-150.3 158.4 -136.6 88.8 14.4 53 365 A Y S S+ 0 0 19 -2,-0.3 2,-0.3 -7,-0.1 31,-0.1 -0.955 82.9 86.7-103.3 103.0 -135.8 91.5 16.8 54 366 A S > + 0 0 7 -2,-0.7 4,-1.5 242,-0.0 242,-0.1 -0.941 46.1 49.8-171.2-174.4 -139.2 91.5 18.4 55 367 A D H >> S- 0 0 18 -2,-0.3 4,-1.4 1,-0.2 3,-0.7 0.061 104.4 -26.3 55.7-159.1 -141.7 90.2 21.0 56 368 A S H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.802 134.9 57.1 -63.2 -35.1 -141.2 89.8 24.7 57 369 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.903 103.2 57.4 -59.2 -36.9 -137.4 89.3 24.4 58 370 A K H < + 0 0 42 -4,-2.9 3,-1.0 -5,-0.2 -1,-0.2 -0.345 63.9 156.6-144.3 60.0 -128.4 98.1 33.2 69 381 A P T 3 + 0 0 65 0, 0.0 4,-0.2 0, 0.0 -4,-0.1 0.635 62.3 70.2 -64.1 -19.8 -126.3 99.5 30.3 70 382 A N T 3 S+ 0 0 142 2,-0.1 2,-0.2 -3,-0.1 -5,-0.1 0.147 73.6 97.7 -99.2 21.3 -123.1 97.9 31.3 71 383 A Y S < S- 0 0 32 -3,-1.0 2,-1.0 -7,-0.1 -29,-0.2 -0.676 83.6-102.5 -96.9 159.7 -123.8 94.2 30.7 72 384 A R E -c 42 0B 67 -31,-2.5 -29,-2.6 -2,-0.2 2,-0.5 -0.729 42.1-164.9 -81.0 105.2 -122.7 92.3 27.5 73 385 A Y E -c 43 0B 2 -2,-1.0 17,-2.5 15,-0.2 2,-0.4 -0.819 7.8-176.7 -94.7 129.0 -125.9 92.1 25.4 74 386 A I E -cd 44 90B 0 -31,-2.5 -29,-2.2 -2,-0.5 2,-0.4 -0.986 9.4-162.4-125.3 131.8 -126.0 89.6 22.5 75 387 A W E -cd 45 91B 0 15,-2.3 17,-3.0 -2,-0.4 2,-0.5 -0.940 9.1-149.8-110.8 137.6 -128.7 89.0 20.0 76 388 A S E + d 0 92B 0 -31,-2.3 -29,-0.3 -2,-0.4 2,-0.3 -0.903 23.7 165.7-107.8 131.5 -128.9 85.9 17.8 77 389 A F E - d 0 93B 0 15,-2.2 17,-1.9 -2,-0.5 -26,-0.2 -0.894 45.0-128.1-135.2 164.1 -130.5 86.0 14.3 78 390 A K S S+ 0 0 108 -28,-2.6 -27,-0.1 -2,-0.3 -1,-0.1 0.881 113.2 17.5 -76.3 -39.5 -130.7 83.9 11.2 79 391 A N S > S- 0 0 80 -29,-0.5 3,-2.1 1,-0.1 -1,-0.2 -0.702 71.6-179.0-135.2 81.5 -129.6 86.9 9.2 80 392 A P G > S+ 0 0 13 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.707 79.0 62.8 -55.8 -28.3 -128.0 89.5 11.4 81 393 A D G 3 S+ 0 0 167 1,-0.3 -2,-0.0 3,-0.1 10,-0.0 0.579 102.5 51.8 -78.0 -8.7 -127.3 92.0 8.6 82 394 A K G < S+ 0 0 170 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.155 98.6 81.3-108.7 13.8 -131.1 92.3 7.9 83 395 A N < - 0 0 28 -3,-1.2 2,-0.7 -31,-0.1 -31,-0.1 -0.976 64.9-151.2-124.7 138.7 -132.0 93.0 11.5 84 396 A V - 0 0 126 -2,-0.4 -31,-0.1 -31,-0.1 -3,-0.1 -0.908 15.0-176.5-113.2 108.3 -131.7 96.4 13.3 85 397 A V - 0 0 26 -2,-0.7 2,-0.1 4,-0.1 6,-0.1 -0.903 15.8-143.0-106.5 126.8 -131.1 96.3 17.0 86 398 A P + 0 0 65 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.461 60.3 20.4 -78.5 157.5 -131.0 99.5 19.1 87 399 A G S S- 0 0 58 1,-0.2 -2,-0.1 -2,-0.1 -25,-0.0 -0.374 108.5 -35.3 92.5-160.4 -128.5 99.9 21.9 88 400 A S S S+ 0 0 68 -2,-0.1 -15,-0.2 -19,-0.1 -1,-0.2 0.367 88.0 122.3 -90.6 3.7 -125.3 98.3 23.0 89 401 A A - 0 0 21 -3,-0.4 2,-0.4 -17,-0.1 -15,-0.2 -0.320 50.8-144.7 -71.9 148.0 -125.9 94.7 21.9 90 402 A E E -d 74 0B 87 -17,-2.5 -15,-2.3 -2,-0.0 2,-0.4 -0.847 20.3-134.5-101.6 149.0 -123.7 92.8 19.4 91 403 A K E -d 75 0B 83 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.887 16.5-163.9-111.4 139.4 -125.4 90.4 17.1 92 404 A V E -d 76 0B 5 -17,-3.0 -15,-2.2 -2,-0.4 2,-0.3 -0.830 18.6-121.9-114.3 156.8 -124.4 86.9 16.1 93 405 A K E > -d 77 0B 114 -2,-0.3 3,-1.5 -17,-0.2 6,-0.4 -0.732 38.5 -99.8 -95.0 140.5 -125.4 84.5 13.2 94 406 A R T 3 S+ 0 0 64 -17,-1.9 3,-0.1 -2,-0.3 -1,-0.1 -0.305 104.3 12.0 -59.9 137.6 -127.0 81.1 14.0 95 407 A N T 3 S+ 0 0 48 1,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.686 98.8 123.4 71.8 20.1 -124.6 78.2 13.8 96 408 A S S <> S- 0 0 25 -3,-1.5 4,-2.2 -71,-0.1 3,-0.4 -0.641 79.0-104.0-107.1 165.9 -121.5 80.4 13.7 97 409 A A H > S+ 0 0 37 1,-0.3 4,-2.5 -2,-0.2 5,-0.1 0.925 124.0 50.6 -55.1 -41.8 -118.5 80.3 16.0 98 410 A E H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.810 106.1 56.1 -67.5 -32.9 -119.8 83.5 17.7 99 411 A Y H > S+ 0 0 0 -6,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.954 110.1 44.1 -61.8 -52.0 -123.2 81.9 18.1 100 412 A Y H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.902 113.7 51.2 -63.3 -41.9 -121.8 79.0 20.0 101 413 A Q H X S+ 0 0 98 -4,-2.5 4,-3.9 -5,-0.2 5,-0.3 0.973 107.9 51.7 -53.3 -59.7 -119.6 81.2 22.1 102 414 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.3 -2,-0.2 0.902 113.3 44.9 -48.7 -49.3 -122.4 83.5 23.1 103 415 A Y H < S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.838 116.2 45.7 -68.5 -33.8 -124.5 80.5 24.2 104 416 A S H < S+ 0 0 6 -4,-2.4 -2,-0.2 -3,-0.3 -1,-0.2 0.886 117.6 45.0 -68.2 -40.1 -121.6 78.9 26.0 105 417 A E H < S+ 0 0 24 -4,-3.9 -66,-2.5 -5,-0.2 -63,-0.3 0.718 90.6 103.2 -81.1 -20.4 -120.6 82.2 27.6 106 418 A A E < -b 39 0B 0 -4,-1.8 -63,-0.2 -5,-0.3 3,-0.1 -0.347 49.9-164.6 -76.2 141.4 -124.0 83.5 28.7 107 419 A S E S+ 0 0 0 -65,-2.0 19,-3.0 -68,-0.6 2,-0.4 0.688 84.2 38.8 -86.4 -21.4 -125.2 83.4 32.3 108 420 A H E -be 43 126B 0 -66,-1.2 -64,-2.5 17,-0.2 2,-0.5 -0.984 62.4-161.9-138.3 126.4 -128.7 84.0 31.0 109 421 A W E -be 44 127B 2 17,-2.5 19,-3.5 -2,-0.4 2,-0.5 -0.903 13.7-170.0 -97.7 126.5 -130.7 82.8 28.0 110 422 A V E +be 45 128B 2 -66,-2.6 -64,-1.5 -2,-0.5 2,-0.3 -0.970 22.7 135.3-118.6 119.6 -133.8 84.9 27.1 111 423 A S E -be 46 129B 2 17,-2.0 19,-2.9 -2,-0.5 20,-0.6 -0.997 49.2-143.3-159.9 171.1 -136.3 83.7 24.5 112 424 A N S S+ 0 0 0 -66,-0.8 2,-0.3 -2,-0.3 -65,-0.1 0.044 84.1 42.2-120.7 19.3 -139.9 83.2 23.5 113 425 A A S S- 0 0 16 -67,-0.2 17,-0.1 18,-0.1 18,-0.1 -0.969 99.3 -66.8-157.9 168.9 -139.6 79.9 21.6 114 426 A R - 0 0 87 -2,-0.3 -2,-0.1 15,-0.0 3,-0.1 -0.351 47.0-147.1 -60.5 135.1 -138.0 76.5 21.8 115 427 A T - 0 0 5 1,-0.1 -1,-0.0 48,-0.1 -4,-0.0 -0.872 34.2 -83.3-105.9 147.3 -134.2 76.8 21.5 116 428 A P > - 0 0 23 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.043 26.1-133.5 -50.9 146.5 -132.3 73.9 19.9 117 429 A L T 3 S+ 0 0 69 1,-0.2 4,-0.1 3,-0.1 -2,-0.0 0.740 100.6 70.3 -74.1 -23.0 -131.3 70.8 21.9 118 430 A Y T 3 S+ 0 0 75 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.692 82.8 90.2 -69.1 -13.8 -127.7 70.8 20.5 119 431 A L S < S- 0 0 1 -3,-0.9 2,-0.8 1,-0.0 -4,-0.0 -0.623 82.8-128.9 -76.8 143.8 -127.2 73.9 22.7 120 432 A N - 0 0 51 -2,-0.3 2,-1.1 1,-0.0 -2,-0.1 -0.806 16.5-164.3-104.7 103.3 -126.0 73.0 26.2 121 433 A K - 0 0 43 -2,-0.8 2,-0.1 -4,-0.1 -17,-0.1 -0.688 21.7-162.7 -86.9 100.6 -127.9 74.5 29.1 122 434 A K > - 0 0 22 -2,-1.1 3,-2.1 1,-0.1 -88,-0.0 -0.360 34.2-109.9 -86.2 163.1 -125.6 74.0 32.0 123 435 A E T 3 S+ 0 0 182 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.799 120.0 63.7 -51.2 -34.1 -126.3 74.2 35.8 124 436 A N T 3 S+ 0 0 53 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.715 97.3 66.4 -61.5 -30.6 -124.3 77.3 35.6 125 437 A Q < - 0 0 1 -3,-2.1 2,-0.6 -17,-0.0 -17,-0.2 -0.676 69.9-137.1-108.9 151.7 -126.8 79.1 33.3 126 438 A T E -e 108 0B 26 -19,-3.0 -17,-2.5 -2,-0.2 2,-0.7 -0.930 13.4-159.8-110.7 120.3 -130.4 80.4 33.7 127 439 A Y E -e 109 0B 0 -2,-0.6 42,-1.9 39,-0.4 41,-1.8 -0.861 6.6-164.1-102.4 108.5 -132.8 79.8 30.8 128 440 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-73.7 154.4 -169.8 87.7 18.2 354 666 A I E -n 327 0E 53 -28,-0.2 2,-0.4 -7,-0.1 -26,-0.2 -0.893 27.5-170.4 -97.4 125.6 -169.1 84.8 15.8 355 667 A Y E -n 328 0E 42 -28,-2.7 -26,-0.6 -2,-0.6 -29,-0.0 -0.940 18.6-178.7-112.8 137.4 -169.8 85.5 12.2 356 668 A T S S+ 0 0 79 -2,-0.4 -1,-0.1 -28,-0.2 -28,-0.1 0.716 76.8 50.7-100.6 -28.2 -169.8 82.9 9.5 357 669 A E S > S- 0 0 93 1,-0.1 4,-0.7 -28,-0.0 3,-0.5 -0.864 77.8-137.7-105.3 145.5 -170.7 85.2 6.6 358 670 A P H > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.767 91.3 72.0 -65.8 -27.3 -168.8 88.5 6.1 359 671 A Y H > S+ 0 0 105 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.751 95.9 45.6 -73.5 -28.3 -171.9 90.6 5.3 360 672 A G H > S+ 0 0 16 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.823 111.4 55.8 -78.2 -34.0 -173.4 90.8 8.8 361 673 A L H X S+ 0 0 2 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.937 105.6 52.3 -58.0 -49.0 -170.0 91.6 10.1 362 674 A A H X S+ 0 0 2 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.942 110.1 46.6 -53.8 -53.5 -169.8 94.6 7.6 363 675 A K H >< S+ 0 0 124 -4,-1.5 3,-1.1 1,-0.2 4,-0.4 0.922 110.4 54.4 -58.0 -43.2 -173.1 96.0 8.8 364 676 A E H >< S+ 0 0 42 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.907 101.7 56.7 -58.4 -48.6 -172.1 95.6 12.4 365 677 A L H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.2 -1,-0.3 0.700 84.5 85.5 -51.8 -25.5 -168.8 97.6 12.0 366 678 A K T << S+ 0 0 85 -3,-1.1 2,-0.5 -4,-0.8 -1,-0.2 0.899 102.8 28.1 -47.0 -43.3 -170.9 100.6 10.7 367 679 A N T X> + 0 0 70 -3,-1.3 4,-1.0 -4,-0.4 3,-0.6 -0.793 67.6 176.3-126.9 86.0 -171.4 101.6 14.3 368 680 A L H X> S+ 0 0 10 -3,-0.6 4,-2.4 -2,-0.5 3,-1.0 0.908 78.4 61.5 -55.3 -46.5 -168.6 100.5 16.6 369 681 A D H 3> S+ 0 0 111 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.840 101.0 53.7 -53.6 -37.3 -170.0 102.2 19.7 370 682 A K H <> S+ 0 0 110 -3,-0.6 4,-2.3 1,-0.2 -1,-0.3 0.835 108.8 49.3 -67.8 -32.6 -173.1 100.1 19.5 371 683 A V H < S+ 0 0 153 -4,-1.6 3,-1.2 -5,-0.2 4,-0.4 0.943 110.4 50.2 -74.1 -51.4 -172.2 98.5 24.4 374 686 A Q H 3< S+ 0 0 115 -4,-2.3 3,-0.2 1,-0.3 4,-0.2 0.873 123.4 32.4 -55.8 -37.4 -173.8 95.2 23.4 375 687 A Y T 3X S+ 0 0 48 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.190 81.8 108.1-109.5 13.9 -170.7 93.3 24.4 376 688 A Q H <> S+ 0 0 68 -3,-1.2 4,-2.3 1,-0.2 5,-0.2 0.946 83.2 52.1 -56.6 -45.6 -169.4 95.4 27.2 377 689 A E H > S+ 0 0 163 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.918 114.3 41.7 -51.1 -51.0 -170.5 92.5 29.6 378 690 A K H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.848 111.7 53.6 -70.9 -38.0 -168.6 89.9 27.5 379 691 A I H X S+ 0 0 5 -4,-3.1 4,-2.3 -28,-0.2 -1,-0.2 0.890 110.4 49.2 -61.5 -40.4 -165.4 92.1 27.0 380 692 A D H X S+ 0 0 59 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.918 109.6 50.2 -66.6 -43.5 -165.2 92.6 30.7 381 693 A A H X S+ 0 0 57 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.923 113.5 46.6 -59.7 -43.9 -165.6 88.9 31.5 382 694 A F H X>S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 5,-0.5 0.880 112.0 50.2 -66.4 -40.8 -162.8 88.1 29.0 383 695 A Y H X5S+ 0 0 55 -4,-2.3 4,-0.9 1,-0.2 5,-0.4 0.821 110.9 50.6 -67.7 -31.1 -160.6 90.9 30.4 384 696 A D H <5S+ 0 0 107 -4,-2.1 4,-0.4 3,-0.2 -2,-0.2 0.934 115.3 42.1 -69.0 -43.9 -161.1 89.5 33.8 385 697 A R H <5S+ 0 0 113 -4,-2.1 -209,-0.4 -5,-0.2 -210,-0.2 0.839 131.7 12.1 -78.0 -36.8 -160.2 86.0 32.9 386 698 A F H <5S+ 0 0 4 -4,-2.3 -3,-0.2 -5,-0.1 -1,-0.1 0.625 129.0 37.2-119.8 -18.2 -157.2 86.4 30.6 387 699 A C S >< + 0 0 115 -198,-0.2 4,-2.3 1,-0.1 -197,-0.1 0.179 40.8 108.5-108.9 18.9 -144.5 95.8 34.6 394 706 A A H > S+ 0 0 1 -197,-0.3 4,-2.4 1,-0.2 5,-0.2 0.943 78.6 47.4 -66.4 -50.4 -143.4 92.5 32.9 395 707 A S H > S+ 0 0 4 -197,-0.2 4,-3.1 1,-0.2 5,-0.2 0.877 112.0 54.0 -60.8 -35.7 -140.1 93.6 31.3 396 708 A Q H > S+ 0 0 87 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.955 106.7 50.7 -59.6 -51.6 -139.2 95.2 34.6 397 709 A Y H X S+ 0 0 116 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.940 116.9 39.6 -52.7 -53.1 -139.8 91.9 36.5 398 710 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.972 116.0 50.4 -62.1 -53.6 -137.6 89.9 34.1 399 711 A G H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.875 114.9 43.7 -52.6 -41.3 -134.9 92.6 33.8 400 712 A D H X S+ 0 0 54 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.3 0.826 109.9 56.9 -74.7 -30.7 -134.7 93.0 37.6 401 713 A L H X S+ 0 0 25 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.932 109.9 44.9 -64.0 -44.0 -134.8 89.2 38.0 402 714 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.919 111.7 52.7 -64.4 -45.3 -131.7 88.9 35.8 403 715 A H H X S+ 0 0 44 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.889 109.8 48.3 -57.8 -40.6 -130.0 91.8 37.5 404 716 A K H X S+ 0 0 132 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.792 109.0 54.9 -72.4 -27.7 -130.5 90.1 40.9 405 717 A D H X S+ 0 0 37 -4,-1.5 4,-1.5 -3,-0.2 -1,-0.2 0.877 108.5 46.9 -71.6 -37.7 -129.2 86.8 39.6 406 718 A I H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.720 100.8 64.2 -85.0 -19.3 -125.9 88.3 38.3 407 719 A K H < S+ 0 0 125 -4,-1.3 -1,-0.2 -5,-0.2 3,-0.2 0.923 106.0 46.9 -60.7 -43.3 -125.2 90.2 41.5 408 720 A E H < S+ 0 0 91 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.1 0.973 106.6 54.7 -61.5 -55.5 -124.9 86.8 43.3 409 721 A Q H < S+ 0 0 60 -4,-1.5 2,-2.8 1,-0.3 -1,-0.2 0.778 87.5 86.3 -51.2 -29.3 -122.7 85.2 40.7 410 722 A L < 0 0 83 -4,-1.1 -1,-0.3 -3,-0.2 -4,-0.0 -0.276 360.0 360.0 -72.6 56.1 -120.3 88.1 41.2 411 723 A E 0 0 193 -2,-2.8 -1,-0.1 0, 0.0 -4,-0.0 -0.688 360.0 360.0-162.8 360.0 -118.6 86.4 44.1 412 !* 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 0.0 413 313 B A 0 0 126 0, 0.0 857,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 154.0 -108.9 61.4 -4.6 414 314 B F - 0 0 48 1,-0.1 2,-1.2 854,-0.1 854,-0.0 -0.263 360.0-142.1 -53.2 126.1 -110.1 61.2 -1.0 415 315 B K > + 0 0 88 1,-0.2 4,-1.7 824,-0.1 3,-0.2 -0.697 23.2 179.9 -97.1 89.0 -112.3 58.1 -0.6 416 316 B V H > S+ 0 0 62 -2,-1.2 4,-2.4 1,-0.2 5,-0.2 0.844 73.2 56.5 -65.0 -39.8 -115.0 59.5 1.8 417 317 B N H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 109.3 49.1 -59.6 -44.2 -117.2 56.5 2.3 418 318 B Q H > S+ 0 0 8 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.916 108.2 53.8 -54.9 -46.2 -114.2 54.5 3.4 419 319 B F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.926 107.1 51.1 -59.4 -44.0 -113.2 57.2 5.9 420 320 B R H X S+ 0 0 93 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.929 112.0 47.0 -56.5 -48.6 -116.7 57.1 7.4 421 321 B K H X S+ 0 0 63 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.930 110.2 52.9 -57.3 -48.2 -116.5 53.3 7.8 422 322 B T H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.943 110.5 47.3 -57.0 -47.4 -113.0 53.6 9.3 423 323 B L H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.912 111.8 50.9 -59.0 -41.7 -114.2 56.1 11.9 424 324 B R H X S+ 0 0 105 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.963 111.4 47.2 -63.6 -46.3 -117.2 54.0 12.8 425 325 B H H X S+ 0 0 9 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.872 110.3 52.0 -65.0 -36.3 -115.1 50.9 13.3 426 326 B V H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.931 109.7 51.4 -61.8 -42.9 -112.6 52.8 15.4 427 327 B K H X S+ 0 0 65 -4,-2.3 4,-2.5 1,-0.2 6,-0.2 0.971 111.7 44.3 -60.4 -55.1 -115.4 54.0 17.6 428 328 B N H <>S+ 0 0 15 -4,-2.5 5,-1.7 1,-0.2 4,-0.3 0.881 114.3 50.8 -55.1 -40.1 -116.9 50.6 18.1 429 329 B I H ><5S+ 0 0 35 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.915 113.1 42.7 -70.6 -42.9 -113.5 49.0 18.8 430 330 B V H 3<5S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 114.5 51.3 -70.7 -37.3 -112.4 51.6 21.4 431 331 B L T 3<5S- 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.356 108.2-121.1 -84.0 5.9 -115.8 51.6 23.1 432 332 B R T < 5 + 0 0 151 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.678 52.3 169.3 61.3 21.6 -116.0 47.8 23.5 433 333 B R > < - 0 0 95 -5,-1.7 3,-1.0 -6,-0.2 -1,-0.2 -0.271 41.3-132.0 -60.0 145.4 -119.3 47.8 21.4 434 334 B K T > S+ 0 0 191 1,-0.2 3,-1.2 2,-0.1 4,-0.2 0.829 101.2 68.9 -71.0 -30.4 -120.7 44.4 20.2 435 335 B N T 3> + 0 0 63 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.370 65.5 101.3 -73.4 8.2 -121.2 45.8 16.7 436 336 B K H <> S+ 0 0 86 -3,-1.0 4,-2.2 1,-0.2 -1,-0.3 0.866 78.6 58.4 -59.8 -33.3 -117.4 45.9 16.2 437 337 B E H <> S+ 0 0 47 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.917 106.0 48.1 -58.7 -44.0 -117.9 42.7 14.2 438 338 B R H > S+ 0 0 55 -3,-0.3 4,-2.6 -4,-0.2 -2,-0.2 0.936 112.2 47.1 -62.6 -49.1 -120.3 44.5 11.9 439 339 B S H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 -14,-0.2 0.816 109.7 52.7 -70.4 -30.6 -118.1 47.5 11.3 440 340 B L H X S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.947 111.8 48.4 -62.6 -46.0 -115.0 45.4 10.6 441 341 B Y H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.925 111.6 47.9 -56.2 -52.1 -117.1 43.5 8.1 442 342 B D H < S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 110.6 53.1 -60.9 -32.2 -118.4 46.7 6.4 443 343 B L H < S+ 0 0 12 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.862 121.0 28.2 -74.0 -36.0 -114.9 48.2 6.2 444 344 B T H < S+ 0 0 47 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.543 80.8 125.1-110.3 -13.8 -113.3 45.2 4.5 445 345 B D < + 0 0 30 -4,-2.2 2,-0.3 -5,-0.2 68,-0.0 -0.306 37.7 175.7 -49.8 116.2 -116.1 43.6 2.5 446 346 B K > - 0 0 86 -2,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.919 47.2-114.3-125.6 159.2 -114.9 43.4 -1.2 447 347 B E G > S+ 0 0 91 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.695 115.3 64.3 -60.6 -14.3 -116.3 42.0 -4.3 448 348 B D G 3 S+ 0 0 141 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.468 79.1 76.1 -91.1 -2.0 -113.3 39.6 -4.1 449 349 B N G < S+ 0 0 45 -3,-2.3 2,-0.4 67,-0.1 -1,-0.2 0.722 74.9 108.8 -76.4 -14.8 -114.2 37.9 -0.9 450 350 B V < - 0 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0, 0.0 -26,-1.8 0, 0.0 2,-0.6 -0.426 37.0-126.3 -79.4 157.0 -49.4 27.0 20.1 1178 666 C I E -n 1151 0M 54 -28,-0.2 2,-0.4 -7,-0.1 -26,-0.2 -0.932 28.3-173.2-100.9 117.3 -50.3 29.7 17.6 1179 667 C Y E -n 1152 0M 48 -28,-1.9 -26,-1.3 -2,-0.6 -25,-0.1 -0.904 18.4-175.5-107.9 143.4 -49.4 28.8 14.1 1180 668 C T S S+ 0 0 79 -2,-0.4 -1,-0.1 -28,-0.2 -28,-0.1 0.594 79.0 47.4-107.2 -20.6 -49.7 31.2 11.1 1181 669 C E S > S- 0 0 83 1,-0.0 4,-0.7 -105,-0.0 3,-0.3 -0.934 79.1-138.4-119.8 147.2 -48.7 28.7 8.4 1182 670 C P H > S+ 0 0 10 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.463 86.8 76.7 -89.4 -2.1 -50.2 25.2 8.4 1183 671 C Y H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.837 98.1 42.3 -82.9 -33.4 -47.1 23.1 7.6 1184 672 C G H > S+ 0 0 19 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.877 111.2 58.1 -74.4 -40.0 -45.6 23.2 11.0 1185 673 C L H X S+ 0 0 1 -4,-0.7 4,-2.4 1,-0.2 -2,-0.2 0.956 108.3 46.9 -49.7 -53.3 -49.1 22.6 12.4 1186 674 C A H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.934 110.4 49.8 -57.9 -52.7 -49.2 19.4 10.4 1187 675 C K H >< S+ 0 0 116 -4,-2.0 3,-1.2 1,-0.2 4,-0.3 0.938 111.7 49.8 -53.6 -47.3 -45.8 18.2 11.3 1188 676 C E H >< S+ 0 0 39 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.924 103.3 59.4 -57.5 -47.4 -46.6 18.7 15.0 1189 677 C L H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -1,-0.3 0.756 86.7 80.3 -48.9 -28.4 -49.9 16.9 14.7 1190 678 C K T << S+ 0 0 107 -3,-1.2 -1,-0.3 -4,-1.1 2,-0.2 0.707 100.3 35.4 -59.3 -21.9 -47.9 13.8 13.6 1191 679 C N T X> + 0 0 77 -3,-2.2 4,-1.4 -4,-0.3 3,-1.3 -0.609 65.1 176.2-135.7 75.2 -47.0 13.1 17.3 1192 680 C L H <> S+ 0 0 13 -3,-0.6 4,-2.5 1,-0.3 5,-0.2 0.788 79.7 59.3 -44.6 -37.7 -50.0 13.9 19.6 1193 681 C D H 3> S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.829 101.6 51.6 -71.5 -34.0 -48.2 12.5 22.6 1194 682 C K H <> S+ 0 0 117 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.888 112.6 48.2 -65.2 -36.8 -45.2 14.9 22.3 1195 683 C V H X S+ 0 0 2 -4,-1.4 4,-1.4 -7,-0.2 -2,-0.2 0.902 108.2 52.1 -73.5 -40.7 -47.7 17.8 22.1 1196 684 C Q H < S+ 0 0 53 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.884 117.5 39.7 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5,-0.4 0.951 109.2 51.1 -51.1 -53.8 -56.3 26.8 31.0 1207 695 C Y H X S+ 0 0 58 -4,-2.0 4,-1.7 1,-0.2 5,-0.5 0.829 111.2 49.5 -58.1 -32.9 -58.5 24.1 32.6 1208 696 C D H X S+ 0 0 101 -4,-1.9 4,-0.6 3,-0.2 -1,-0.2 0.952 114.9 40.4 -70.7 -51.4 -58.2 25.8 36.0 1209 697 C R H < S+ 0 0 118 -4,-2.4 -209,-0.5 1,-0.2 -2,-0.2 0.851 135.2 15.6 -66.3 -34.6 -59.1 29.3 34.9 1210 698 C F H < S+ 0 0 5 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.502 129.2 34.5-122.0 -8.7 -61.9 28.4 32.5 1211 699 C C H >< S+ 0 0 1 -4,-1.7 3,-0.8 -5,-0.4 -3,-0.2 0.433 80.1 94.9-136.0 2.6 -63.1 24.8 33.0 1212 700 C S T 3< S+ 0 0 68 -4,-0.6 -4,-0.1 -5,-0.5 -1,-0.1 0.259 76.4 69.6 -84.9 12.4 -62.9 23.8 36.7 1213 701 C V T 3 + 0 0 36 -216,-0.3 2,-0.8 -3,-0.1 -1,-0.2 0.564 67.7 98.5-111.0 -9.4 -66.5 24.7 37.4 1214 702 C D < + 0 0 17 -3,-0.8 -194,-0.2 1,-0.2 -195,-0.0 -0.714 38.1 175.3 -84.3 110.1 -68.5 21.9 35.5 1215 703 C N - 0 0 96 -2,-0.8 -1,-0.2 -196,-0.6 -195,-0.1 0.413 56.9-109.9 -83.5 -1.0 -69.6 19.1 37.9 1216 704 C G S S+ 0 0 6 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I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.913 112.3 51.7 -55.2 -46.0 -87.5 25.1 37.8 1227 715 C H H X S+ 0 0 37 -4,-2.2 4,-1.1 1,-0.2 3,-0.2 0.951 108.9 48.8 -55.5 -55.9 -89.1 22.3 39.9 1228 716 C K H X S+ 0 0 134 -4,-2.1 4,-1.2 1,-0.2 3,-0.4 0.853 110.6 53.6 -53.0 -40.5 -88.6 24.2 43.2 1229 717 C D H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 109.9 45.9 -61.6 -43.5 -90.1 27.3 41.6 1230 718 C I H < S+ 0 0 0 -4,-2.0 4,-0.5 -3,-0.2 -1,-0.2 0.508 102.0 62.4 -91.5 -1.4 -93.2 25.5 40.4 1231 719 C K H < S+ 0 0 136 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.880 111.0 41.9 -75.6 -46.0 -94.0 23.7 43.7 1232 720 C E H < S+ 0 0 120 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.980 110.5 54.7 -58.9 -59.2 -94.4 27.1 45.3 1233 721 C Q S < S+ 0 0 59 -4,-2.2 2,-1.7 1,-0.2 -1,-0.2 0.790 89.3 89.4 -48.9 -29.8 -96.3 28.5 42.3 1234 722 C L 0 0 74 -4,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 -0.570 360.0 360.0 -72.4 87.2 -98.6 25.6 42.9 1235 723 C E 0 0 210 -2,-1.7 -1,-0.1 0, 0.0 -4,-0.0 -0.410 360.0 360.0-170.4 360.0 -101.0 27.2 45.4 1236 !* 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 1237 313 D A 0 0 120 0, 0.0 2,-0.6 0, 0.0 -791,-0.0 0.000 360.0 360.0 360.0 27.9 -110.5 50.0 -4.4 1238 314 D F - 0 0 70 1,-0.1 2,-1.2 -794,-0.1 3,-0.1 -0.590 360.0-140.5 -66.0 114.8 -109.5 50.0 -0.7 1239 315 D K > - 0 0 81 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 -0.646 22.7-178.4 -78.6 97.8 -107.2 53.1 -0.3 1240 316 D V H > S+ 0 0 64 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.831 78.5 52.5 -72.9 -28.9 -104.6 51.6 2.2 1241 317 D N H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 108.3 50.5 -69.8 -43.0 -102.6 54.8 2.5 1242 318 D Q H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.933 108.5 53.8 -54.5 -46.5 -105.7 56.8 3.4 1243 319 D F H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.889 107.6 50.5 -58.3 -39.5 -106.6 54.2 6.0 1244 320 D R H X S+ 0 0 96 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.859 108.9 50.2 -68.4 -36.3 -103.1 54.6 7.6 1245 321 D K H X S+ 0 0 58 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.768 110.1 51.7 -73.3 -27.8 -103.3 58.4 7.8 1246 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685 D Q H >< S+ 0 0 162 -4,-1.6 3,-1.1 -5,-0.2 4,-0.4 0.862 114.4 54.6 -73.8 -41.5 -49.8 92.2 -3.0 1607 686 D Q H 3< S+ 0 0 113 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.725 121.5 28.1 -69.7 -26.7 -48.2 89.0 -1.8 1608 687 D Y T 3X S+ 0 0 38 -4,-2.3 4,-2.5 -5,-0.1 -1,-0.3 -0.038 85.6 110.8-123.1 27.3 -51.3 86.9 -2.4 1609 688 D Q H <> S+ 0 0 57 -3,-1.1 4,-3.0 2,-0.2 5,-0.3 0.986 82.0 48.3 -65.6 -51.7 -52.8 88.9 -5.2 1610 689 D E H > S+ 0 0 174 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.880 115.3 45.1 -50.6 -45.2 -52.1 86.1 -7.7 1611 690 D K H > S+ 0 0 96 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.839 112.4 51.7 -69.7 -35.6 -53.6 83.6 -5.3 1612 691 D I H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.962 110.5 47.5 -64.4 -51.9 -56.6 85.8 -4.6 1613 692 D D H X S+ 0 0 49 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.824 108.9 54.1 -57.9 -35.4 -57.4 86.3 -8.3 1614 693 D A H X S+ 0 0 60 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.2 0.863 110.6 47.7 -69.3 -37.1 -57.1 82.6 -9.0 1615 694 D F H X>S+ 0 0 8 -4,-1.4 4,-2.3 -3,-0.3 5,-0.5 0.873 109.9 51.2 -68.2 -43.7 -59.6 81.9 -6.3 1616 695 D Y H X5S+ 0 0 60 -4,-2.4 4,-1.4 1,-0.2 5,-0.4 0.884 109.9 52.3 -60.4 -36.1 -61.9 84.6 -7.6 1617 696 D D H <5S+ 0 0 103 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.731 115.8 37.6 -76.8 -22.2 -61.7 83.0 -11.0 1618 697 D R H <5S+ 0 0 110 -4,-0.9 -206,-0.4 -3,-0.4 -2,-0.2 0.832 131.9 19.1 -95.1 -37.6 -62.6 79.5 -9.9 1619 698 D F H <5S+ 0 0 8 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.626 132.0 31.6-112.9 -18.9 -65.3 80.1 -7.2 1620 699 D C S >< + 0 0 117 -195,-0.2 4,-2.2 1,-0.1 -194,-0.1 0.236 46.0 105.1-103.5 11.2 -78.4 89.3 -10.7 1627 706 D A H > S+ 0 0 0 1,-0.2 4,-2.1 -194,-0.2 5,-0.3 0.885 77.6 49.8 -69.0 -42.3 -79.3 86.1 -8.8 1628 707 D S H > S+ 0 0 7 -194,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.879 111.7 52.0 -59.9 -37.8 -82.3 87.3 -6.9 1629 708 D Q H > S+ 0 0 77 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.931 107.4 52.3 -65.1 -42.6 -83.7 88.7 -10.1 1630 709 D Y H X S+ 0 0 115 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 117.0 36.0 -61.2 -51.4 -83.2 85.3 -11.9 1631 710 D I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.989 116.9 55.0 -60.9 -59.0 -85.1 83.3 -9.3 1632 711 D G H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.836 113.4 41.5 -39.3 -48.5 -87.6 86.1 -8.7 1633 712 D D H X S+ 0 0 57 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.882 110.6 56.1 -70.7 -42.4 -88.4 86.2 -12.5 1634 713 D L H X S+ 0 0 25 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.933 108.3 49.1 -54.7 -46.6 -88.5 82.4 -12.8 1635 714 D I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.936 111.5 48.8 -61.2 -46.5 -91.1 82.3 -10.1 1636 715 D H H X S+ 0 0 37 -4,-1.7 4,-1.0 -5,-0.3 -2,-0.2 0.968 113.3 46.4 -53.3 -57.2 -93.2 85.0 -11.7 1637 716 D K H X S+ 0 0 130 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.795 110.6 54.8 -58.6 -33.1 -93.0 83.3 -15.1 1638 717 D D H X S+ 0 0 31 -4,-2.3 4,-1.1 -5,-0.3 3,-0.2 0.983 109.4 46.0 -61.2 -53.6 -93.9 79.9 -13.5 1639 718 D I H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.503 105.4 60.1 -79.7 -3.7 -97.1 81.3 -11.9 1640 719 D K H >< S+ 0 0 121 -4,-1.0 3,-1.5 2,-0.2 -1,-0.2 0.905 104.0 49.5 -76.3 -50.1 -98.2 83.0 -15.1 1641 720 D E H >X S+ 0 0 71 -4,-1.4 4,-0.8 1,-0.3 3,-0.6 0.787 109.6 54.8 -58.2 -25.4 -98.3 79.7 -16.9 1642 721 D Q T 3< S+ 0 0 55 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.709 98.7 60.9 -82.6 -21.0 -100.3 78.4 -14.0 1643 722 D L T <4 S+ 0 0 92 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.151 104.4 52.9 -93.1 38.9 -102.9 81.2 -14.2 1644 723 D E T <4 0 0 158 -3,-0.6 -2,-0.2 1,-0.3 -1,-0.1 0.634 360.0 360.0-138.5 -55.2 -103.9 80.0 -17.8 1645 724 D H < 0 0 195 -4,-0.8 -1,-0.3 0, 0.0 0, 0.0 -0.392 360.0 360.0-105.0 360.0 -104.9 76.4 -18.4