==== 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 HYDROLASE 12-FEB-10 3LS9 . COMPND 2 MOLECULE: TRIAZINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.SEFFERNICK,L.P.WACKETT,S.C.ALMO . 906 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 6 0.7 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 . 56 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.8 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 0 5 9 0 2 0 4 2 0 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 3 6 4 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 PARALLEL BRIDGES PER LADDER . 3 2 4 0 4 0 2 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 0 0 2 0 2 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 1 A M 0 0 43 0, 0.0 44,-2.3 0, 0.0 45,-1.4 0.000 360.0 360.0 360.0 156.6 9.7 70.0 13.2 2 2 A I E -Ab 27 46A 30 25,-2.2 25,-2.9 42,-0.2 2,-0.5 -0.968 360.0-162.0-114.9 129.7 10.1 68.7 9.7 3 3 A L E -Ab 26 47A 0 43,-2.6 45,-3.2 -2,-0.5 2,-0.7 -0.953 7.9-162.1-112.6 121.9 7.1 67.7 7.6 4 4 A I E -Ab 25 48A 0 21,-3.0 21,-2.1 -2,-0.5 2,-0.4 -0.914 27.8-160.3 -97.7 111.8 7.4 65.6 4.5 5 5 A R E + b 0 49A 95 43,-2.7 45,-2.9 -2,-0.7 46,-0.5 -0.779 50.4 3.8-108.0 135.2 4.1 66.3 2.8 6 6 A G E - 0 0 15 -2,-0.4 46,-0.4 1,-0.2 47,-0.2 0.758 65.9-176.9 75.8 27.7 2.1 64.4 0.1 7 7 A L E -A 23 0A 0 16,-2.0 16,-1.8 -3,-0.3 15,-0.5 -0.331 26.0-138.1 -52.3 132.9 4.3 61.3 -0.4 8 8 A T E S+ 0 0 46 45,-1.2 14,-1.0 42,-0.9 2,-0.3 0.905 85.2 7.9 -64.5 -40.4 2.8 59.3 -3.2 9 9 A R E -Ac 21 54A 30 44,-1.7 46,-2.5 12,-0.2 2,-0.4 -0.997 62.7-168.1-144.4 137.7 3.4 56.0 -1.3 10 10 A V E -Ac 20 55A 0 10,-2.4 10,-2.1 -2,-0.3 2,-0.6 -0.998 5.5-163.4-124.4 126.7 4.6 55.3 2.2 11 11 A I E +A 19 0A 2 44,-2.7 8,-0.2 -2,-0.4 372,-0.1 -0.946 9.8 178.6-111.6 114.1 5.6 51.8 3.2 12 12 A T - 0 0 4 6,-2.2 371,-2.2 -2,-0.6 -1,-0.1 0.804 22.2-150.6 -87.6 -31.1 5.7 51.5 7.0 13 13 A F + 0 0 7 5,-0.6 6,-0.1 369,-0.2 371,-0.1 0.763 45.4 153.3 51.7 31.5 6.7 47.9 7.7 14 14 A D > - 0 0 10 4,-0.4 3,-2.0 369,-0.2 -1,-0.1 -0.110 66.0 -81.8 -74.2-178.1 4.7 48.3 10.9 15 15 A D T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.653 134.0 42.3 -66.0 -15.4 3.1 45.3 12.6 16 16 A Q T 3 S- 0 0 134 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.262 111.1-119.2-109.2 8.5 0.1 45.5 10.3 17 17 A E < - 0 0 101 -3,-2.0 -2,-0.1 1,-0.2 2,-0.0 0.856 47.0-172.0 56.9 39.2 2.2 46.0 7.2 18 18 A R - 0 0 136 -7,-0.1 -6,-2.2 -6,-0.0 -5,-0.6 -0.317 13.7-175.2 -67.2 142.5 0.5 49.4 6.6 19 19 A E E -A 11 0A 58 -8,-0.2 2,-0.3 -7,-0.1 -8,-0.2 -0.913 7.0-157.3-127.1 157.6 1.0 51.4 3.5 20 20 A L E -A 10 0A 35 -10,-2.1 -10,-2.4 -2,-0.3 2,-0.4 -0.983 6.4-148.5-136.2 147.4 -0.4 54.8 2.7 21 21 A E E S+A 9 0A 107 -2,-0.3 -12,-0.2 1,-0.2 -13,-0.2 -0.940 81.0 1.7-113.1 142.1 -1.1 56.8 -0.4 22 22 A D E S+ 0 0 100 -14,-1.0 16,-0.3 -15,-0.5 2,-0.2 0.957 100.9 137.6 50.2 63.1 -0.8 60.6 -0.6 23 23 A A E -A 7 0A 0 -16,-1.8 -16,-2.0 -3,-0.2 2,-0.3 -0.787 44.6-121.2-139.0 172.6 0.3 60.9 3.0 24 24 A D E - D 0 36A 5 12,-3.1 12,-2.0 -2,-0.2 2,-0.4 -0.777 2.1-149.4-122.1 158.7 2.8 62.7 5.3 25 25 A I E -AD 4 35A 0 -21,-2.1 -21,-3.0 -2,-0.3 2,-0.5 -0.996 14.2-159.4-126.2 126.9 5.6 62.1 7.8 26 26 A L E -AD 3 34A 14 8,-2.7 7,-3.2 -2,-0.4 8,-1.4 -0.921 9.8-167.9-109.2 129.7 6.2 64.4 10.7 27 27 A I E -AD 2 32A 1 -25,-2.9 -25,-2.2 -2,-0.5 2,-0.4 -0.911 12.8-173.4-120.6 139.3 9.6 64.5 12.4 28 28 A D E > - D 0 31A 82 3,-2.8 3,-1.9 -2,-0.4 361,-0.1 -0.921 64.6 -54.8-133.0 108.6 10.8 66.1 15.6 29 29 A G T 3 S- 0 0 44 -2,-0.4 -27,-0.1 1,-0.3 360,-0.1 -0.419 122.6 -11.3 59.0-128.8 14.5 65.9 16.3 30 30 A P T 3 S+ 0 0 53 0, 0.0 359,-2.6 0, 0.0 2,-0.3 0.495 124.8 70.4 -82.0 -2.8 15.6 62.3 16.1 31 31 A K E < S-DE 28 388A 99 -3,-1.9 -3,-2.8 357,-0.3 2,-0.4 -0.811 77.6-114.7-125.4 156.4 12.2 60.7 16.1 32 32 A I E -D 27 0A 1 355,-2.9 354,-2.9 352,-0.3 -5,-0.3 -0.714 23.6-174.7 -79.8 130.8 9.1 60.3 14.0 33 33 A V E - 0 0 43 -7,-3.2 2,-0.3 -2,-0.4 -6,-0.2 0.819 64.1 -11.2 -92.2 -42.0 6.0 62.0 15.5 34 34 A A E -D 26 0A 26 -8,-1.4 -8,-2.7 350,-0.1 2,-0.4 -0.993 44.5-158.0-161.1 151.7 3.4 60.8 13.1 35 35 A V E +D 25 0A 35 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.961 53.5 83.1-135.4 115.3 2.7 59.1 9.8 36 36 A G E S-D 24 0A 12 -12,-2.0 -12,-3.1 -2,-0.4 3,-0.5 -0.989 73.3 -43.5 173.1-177.0 -0.6 59.8 8.1 37 37 A K S S- 0 0 136 -2,-0.3 -14,-0.1 -14,-0.2 -15,-0.1 -0.478 107.0 -4.9 -78.4 144.5 -2.8 62.0 6.0 38 38 A D S S- 0 0 145 -16,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.854 79.9-165.9 46.0 55.6 -3.0 65.8 6.2 39 39 A L - 0 0 29 -3,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.420 26.2 -98.6 -72.2 148.3 -0.7 66.2 9.2 40 40 A S - 0 0 46 1,-0.1 3,-0.3 -2,-0.1 -1,-0.1 -0.425 17.5-157.3 -70.0 134.7 -0.6 69.5 11.0 41 41 A D > + 0 0 88 1,-0.2 3,-2.2 -2,-0.2 -1,-0.1 0.160 51.1 135.4 -91.8 17.8 2.2 71.9 10.2 42 42 A R T 3 S+ 0 0 202 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.796 81.9 9.3 -29.4 -65.3 1.5 73.4 13.6 43 43 A S T 3 S+ 0 0 73 -3,-0.3 2,-0.4 -41,-0.0 -1,-0.3 -0.271 95.0 137.7-120.7 45.9 5.1 73.8 14.8 44 44 A V < - 0 0 29 -3,-2.2 -42,-0.2 1,-0.1 3,-0.1 -0.777 31.5-176.5 -95.9 132.7 6.9 72.9 11.6 45 45 A S S S+ 0 0 112 -44,-2.3 2,-0.3 -2,-0.4 -43,-0.2 0.576 76.5 30.0-100.3 -14.5 10.0 75.0 10.5 46 46 A R E -b 2 0A 94 -45,-1.4 -43,-2.6 2,-0.0 2,-0.5 -0.956 60.5-165.3-149.5 129.9 10.4 73.2 7.2 47 47 A T E -b 3 0A 62 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.2 -0.955 10.9-159.0-113.4 129.3 8.1 71.4 4.8 48 48 A I E -b 4 0A 6 -45,-3.2 -43,-2.7 -2,-0.5 2,-0.8 -0.907 21.3-123.0-109.8 132.0 9.5 69.1 2.1 49 49 A D E +b 5 0A 87 -2,-0.4 -43,-0.2 -45,-0.2 -45,-0.1 -0.646 30.8 175.4 -78.1 109.8 7.4 68.3 -1.0 50 50 A G > + 0 0 0 -45,-2.9 3,-1.8 -2,-0.8 -42,-0.9 0.397 29.9 133.1 -95.4 0.9 7.0 64.5 -1.2 51 51 A R T 3 S+ 0 0 163 -46,-0.5 -44,-0.2 1,-0.3 3,-0.1 -0.285 73.6 20.3 -57.1 132.8 4.8 64.4 -4.2 52 52 A G T 3 S+ 0 0 16 -46,-0.4 344,-3.3 1,-0.3 345,-0.6 0.553 106.0 108.4 86.0 9.6 5.9 61.8 -6.7 53 53 A M E < - 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0 0 2 -16,-0.3 2,-0.1 -15,-0.1 -1,-0.1 -0.552 37.0-138.1 -72.8 131.4 10.9 36.0 -2.6 359 359 A S > - 0 0 14 -2,-0.3 4,-2.4 -4,-0.1 5,-0.2 -0.470 20.2-110.9 -86.1 163.5 8.6 38.9 -3.2 360 360 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 120.0 49.6 -56.7 -44.0 9.6 42.6 -3.5 361 361 A R H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 109.2 51.3 -66.9 -37.6 7.9 43.4 -0.2 362 362 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 112.9 46.6 -61.7 -41.8 9.6 40.5 1.5 363 363 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 111.0 50.3 -67.9 -44.9 13.0 41.8 0.2 364 364 A L H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.885 110.0 52.2 -61.2 -36.2 12.3 45.4 1.1 365 365 A R H ><>S+ 0 0 66 -4,-2.2 5,-3.0 -5,-0.2 3,-1.3 0.921 107.1 52.3 -64.0 -43.5 11.4 44.2 4.6 366 366 A M H 3<>S+ 0 0 4 -4,-2.1 5,-1.5 1,-0.3 -44,-0.7 0.902 108.9 50.8 -55.8 -41.4 14.7 42.3 4.9 367 367 A A T 3<5S+ 0 0 0 -4,-2.0 -307,-3.1 -46,-0.2 -1,-0.3 0.503 127.2 19.6 -78.3 -5.0 16.6 45.5 3.9 368 368 A T T <>5S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.4 5,-0.2 0.476 135.4 17.3-124.5 -87.6 14.8 47.6 6.6 369 369 A R H >5S+ 0 0 37 12,-0.5 4,-2.4 1,-0.2 -3,-0.2 0.870 125.7 53.7 -63.4 -39.3 13.0 45.9 9.5 370 370 A G H >S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.2 4,-0.4 0.931 108.7 48.0 -58.2 -43.2 17.2 46.4 12.1 373 373 A E H ><5S+ 0 0 60 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.895 107.3 55.8 -65.6 -39.6 16.3 43.2 13.9 374 374 A C H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.887 111.4 44.3 -55.5 -40.4 19.7 41.7 13.0 375 375 A L T 3<5S- 0 0 3 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.462 116.9-113.8 -86.2 -1.4 21.4 44.7 14.6 376 376 A G T < 5 + 0 0 26 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.896 67.6 144.2 70.7 43.2 19.1 44.7 17.7 377 377 A R > < + 0 0 3 -5,-2.8 3,-1.8 -8,-0.1 -1,-0.1 -0.726 21.2 166.5-121.1 82.9 17.5 48.0 16.8 378 378 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.619 80.4 65.5 -69.1 -9.7 13.8 48.1 17.7 379 379 A D T 3 S+ 0 0 15 -7,-0.1 9,-3.2 8,-0.1 2,-0.2 0.481 101.7 54.8 -86.8 -3.8 14.1 51.9 17.2 380 380 A L S < S+ 0 0 4 -3,-1.8 -12,-0.1 7,-0.2 3,-0.1 -0.677 81.1 44.9-122.9 172.1 14.8 51.5 13.4 381 381 A G S S+ 0 0 6 -2,-0.2 -12,-0.5 -323,-0.2 2,-0.3 0.442 90.8 83.7 80.6 4.2 13.4 50.0 10.3 382 382 A V - 0 0 3 6,-0.2 2,-1.2 -14,-0.1 -369,-0.2 -1.000 69.3-135.6-142.6 133.2 9.7 51.0 10.7 383 383 A L + 0 0 2 -371,-2.2 2,-0.3 -2,-0.3 -369,-0.2 -0.746 62.0 111.6 -90.8 92.6 7.9 54.2 9.8 384 384 A E S > S- 0 0 60 -2,-1.2 3,-2.1 4,-0.2 -352,-0.3 -0.987 75.0 -70.0-156.6 159.0 5.8 54.9 12.8 385 385 A E T 3 S+ 0 0 147 -2,-0.3 -352,-0.2 1,-0.2 3,-0.1 -0.195 116.8 22.1 -48.9 132.2 5.5 57.2 15.7 386 386 A G T 3 S+ 0 0 41 -354,-2.9 -1,-0.2 1,-0.4 2,-0.1 0.201 97.6 108.9 95.8 -16.9 8.3 56.8 18.2 387 387 A R S < S- 0 0 39 -3,-2.1 -355,-2.9 1,-0.1 -1,-0.4 -0.408 81.4 -76.4 -85.8 168.2 10.8 55.2 15.9 388 388 A A B -E 31 0A 4 -9,-3.2 2,-2.1 -357,-0.2 -357,-0.3 -0.356 39.9-116.7 -63.6 142.5 14.0 56.9 14.6 389 389 A A + 0 0 0 -359,-2.6 38,-2.3 -361,-0.1 2,-0.6 -0.488 64.7 139.4 -79.1 69.1 13.6 59.5 11.8 390 390 A D + 0 0 7 -2,-2.1 -332,-1.9 35,-0.2 2,-0.4 -0.975 26.2 164.5-114.3 110.5 15.6 57.4 9.3 391 391 A I E -FG 57 424A 0 33,-2.3 33,-2.7 -2,-0.6 2,-0.4 -0.986 24.4-166.8-138.4 136.3 13.8 57.7 6.0 392 392 A A E -FG 56 423A 0 -336,-2.4 -336,-2.7 -2,-0.4 2,-0.4 -0.996 11.3-172.9-126.4 132.9 14.7 57.0 2.4 393 393 A C E -FG 55 422A 0 29,-2.6 28,-2.7 -2,-0.4 29,-1.5 -0.973 6.1-165.7-129.1 141.0 12.6 58.2 -0.6 394 394 A W E -F 54 0A 3 -340,-2.1 -340,-2.5 -2,-0.4 2,-0.2 -0.935 27.4-112.3-121.5 144.5 12.8 57.6 -4.3 395 395 A R E -F 53 0A 84 -2,-0.4 -342,-0.3 -342,-0.2 3,-0.2 -0.529 20.9-170.0 -75.1 142.6 11.1 59.4 -7.2 396 396 A L S S+ 0 0 32 -344,-3.3 8,-0.2 -2,-0.2 -343,-0.1 0.391 71.0 77.8-107.1 -3.6 8.4 57.5 -9.0 397 397 A D + 0 0 74 -345,-0.6 2,-0.1 5,-0.1 -1,-0.1 0.121 61.8 119.4-104.7 21.9 8.0 60.0 -11.9 398 398 A G S > S- 0 0 23 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.451 75.1-114.5 -81.6 159.1 11.0 59.2 -14.1 399 399 A V G > S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 172,-0.2 0.821 115.1 63.1 -63.6 -27.3 10.7 58.0 -17.6 400 400 A D G 3 S+ 0 0 11 1,-0.2 15,-0.6 171,-0.1 -1,-0.3 0.481 104.6 46.5 -77.3 -1.7 12.2 54.7 -16.6 401 401 A R G X S+ 0 0 19 -3,-1.9 3,-1.4 13,-0.1 -1,-0.2 0.225 77.7 128.3-124.3 15.3 9.3 54.0 -14.2 402 402 A V T < S+ 0 0 8 -3,-1.1 3,-0.1 1,-0.2 124,-0.1 -0.462 72.0 30.1 -65.9 139.5 6.4 54.9 -16.5 403 403 A G T 3 S+ 0 0 7 1,-0.3 123,-1.2 -2,-0.1 2,-0.4 0.445 81.8 143.2 91.4 -1.7 3.9 52.0 -16.6 404 404 A V B < -r 526 0D 38 -3,-1.4 -1,-0.3 -8,-0.2 123,-0.2 -0.600 27.5-175.6 -74.8 127.6 4.6 50.8 -13.1 405 405 A H S S+ 0 0 72 121,-2.1 123,-0.2 -2,-0.4 122,-0.2 0.818 75.1 36.5 -94.8 -33.3 1.4 49.7 -11.4 406 406 A D S > S- 0 0 15 121,-1.0 4,-2.6 120,-0.3 -1,-0.3 -0.962 70.1-157.0-122.8 112.1 2.8 48.9 -7.9 407 407 A P H > S+ 0 0 17 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.790 91.2 54.0 -63.0 -31.9 5.5 51.3 -6.7 408 408 A A H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 3,-0.2 0.930 112.8 42.6 -68.9 -45.1 7.0 49.0 -4.2 409 409 A I H >> S+ 0 0 1 1,-0.2 4,-2.3 118,-0.2 3,-1.2 0.920 110.4 59.1 -63.0 -40.6 7.5 46.2 -6.8 410 410 A G H 3X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.829 95.2 62.9 -58.1 -32.9 8.7 48.9 -9.2 411 411 A L H 3< S+ 0 0 3 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.831 115.6 31.4 -61.4 -32.4 11.5 49.8 -6.8 412 412 A I H << S+ 0 0 3 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.761 125.9 40.5 -91.7 -32.2 12.9 46.3 -7.3 413 413 A M H < S+ 0 0 0 -4,-2.3 2,-0.3 -5,-0.1 -3,-0.2 0.488 111.4 39.7-106.3 -5.3 11.9 45.5 -10.8 414 414 A T < + 0 0 9 -4,-1.8 372,-0.1 -5,-0.2 -13,-0.1 -0.873 67.9 71.7-136.6 168.1 12.4 48.7 -12.8 415 415 A G - 0 0 10 -15,-0.6 373,-0.2 -2,-0.3 3,-0.1 0.034 55.1-121.3 112.2 151.5 14.8 51.6 -13.3 416 416 A L S S+ 0 0 3 1,-0.2 456,-3.3 371,-0.1 457,-0.4 0.540 97.0 38.7 -93.5 -14.4 18.1 52.8 -14.5 417 417 A S B -S 871 0E 14 454,-0.3 454,-0.3 455,-0.2 -1,-0.2 -0.999 49.2-164.0-147.4 138.1 19.2 54.1 -11.1 418 418 A D + 0 0 28 452,-3.4 2,-0.2 -2,-0.3 453,-0.2 0.249 50.3 135.3 -99.6 9.8 18.9 53.2 -7.5 419 419 A R - 0 0 51 451,-0.4 -298,-0.2 1,-0.1 2,-0.1 -0.410 53.6-130.4 -63.1 125.3 19.8 56.7 -6.3 420 420 A A - 0 0 0 -300,-2.6 -26,-0.2 -2,-0.2 3,-0.1 -0.463 7.8-151.6 -72.5 149.9 17.6 57.9 -3.5 421 421 A S S S+ 0 0 5 -28,-2.7 13,-1.9 1,-0.3 2,-0.4 0.932 79.8 18.4 -85.4 -51.1 16.0 61.4 -3.9 422 422 A L E -G 393 0A 3 -29,-1.5 -29,-2.6 10,-0.2 2,-0.4 -0.984 65.9-177.7-129.5 127.9 15.6 62.3 -0.2 423 423 A V E -GH 392 431A 0 8,-2.1 7,-3.0 -2,-0.4 8,-1.6 -0.994 1.7-176.3-132.7 127.2 17.4 60.8 2.7 424 424 A V E -GH 391 429A 2 -33,-2.7 -33,-2.3 -2,-0.4 2,-0.4 -0.980 1.6-176.0-121.1 130.3 17.0 61.6 6.4 425 425 A V E > S- H 0 428A 0 3,-2.3 3,-2.3 -2,-0.4 -35,-0.2 -0.997 74.6 -10.7-127.4 127.7 19.1 60.1 9.2 426 426 A N T 3 S- 0 0 54 -2,-0.4 -36,-0.2 1,-0.3 -395,-0.1 0.858 130.4 -56.1 56.5 33.9 18.4 60.8 12.9 427 427 A G T 3 S+ 0 0 12 -38,-2.3 2,-0.5 -397,-0.2 -1,-0.3 0.471 113.0 121.3 78.6 2.0 16.1 63.6 11.8 428 428 A Q E < -H 425 0A 88 -3,-2.3 -3,-2.3 -39,-0.2 2,-0.5 -0.862 64.2-129.8-101.6 125.7 18.8 65.3 9.7 429 429 A V E +H 424 0A 14 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.603 37.7 162.2 -72.1 119.5 18.3 65.8 5.9 430 430 A L E + 0 0 8 -7,-3.0 7,-2.1 -2,-0.5 8,-0.6 0.642 60.1 33.6-114.0 -24.0 21.4 64.5 4.3 431 431 A V E +HI 423 436A 0 -8,-1.6 -8,-2.1 5,-0.3 -1,-0.3 -1.000 58.9 168.6-134.9 135.2 20.4 63.9 0.6 432 432 A E E > S+ I 0 435A 49 3,-2.4 3,-1.5 -2,-0.4 -10,-0.2 -0.987 72.7 5.1-144.5 140.9 18.0 65.9 -1.5 433 433 A N T 3 S- 0 0 127 -2,-0.3 -11,-0.2 1,-0.3 -12,-0.1 0.871 130.4 -62.0 52.0 37.4 17.5 65.8 -5.2 434 434 A E T 3 S+ 0 0 83 -13,-1.9 -1,-0.3 1,-0.2 -13,-0.1 0.715 118.3 102.8 66.8 21.4 19.9 62.8 -5.3 435 435 A R E < S-I 432 0A 124 -3,-1.5 -3,-2.4 -14,-0.4 -1,-0.2 -0.993 78.8-104.8-137.0 141.3 22.8 65.0 -4.0 436 436 A P E -I 431 0A 12 0, 0.0 -5,-0.3 0, 0.0 5,-0.2 -0.399 23.4-162.7 -64.0 141.6 24.4 65.3 -0.6 437 437 A V S S+ 0 0 67 -7,-2.1 -6,-0.1 3,-0.1 -7,-0.1 0.686 86.5 20.3 -98.2 -21.1 23.3 68.5 1.2 438 438 A L S S+ 0 0 112 -8,-0.6 2,-0.2 -286,-0.1 -7,-0.1 0.714 106.8 80.7-113.7 -36.7 26.1 68.6 3.9 439 439 A A S S- 0 0 26 -9,-0.3 2,-1.4 -287,-0.1 3,-0.1 -0.492 79.2-125.2 -75.9 143.4 28.9 66.4 2.5 440 440 A D > - 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0 0 3 -16,-0.3 2,-0.1 -15,-0.1 -1,-0.1 -0.581 36.5-137.5 -74.6 131.4 31.3 35.0 -18.1 813 359 B S > - 0 0 11 -2,-0.3 4,-2.3 -4,-0.1 5,-0.2 -0.452 20.1-111.3 -85.8 161.3 33.7 38.0 -17.8 814 360 B A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 120.1 50.1 -54.2 -44.8 32.7 41.7 -17.8 815 361 B R H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 108.4 51.5 -66.3 -37.5 34.4 42.1 -21.2 816 362 B E H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 113.1 46.4 -62.2 -40.8 32.6 39.1 -22.7 817 363 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.915 111.0 50.3 -69.1 -43.3 29.3 40.5 -21.5 818 364 B L H < S+ 0 0 0 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.884 109.9 52.3 -62.9 -36.5 30.0 44.0 -22.8 819 365 B R H ><>S+ 0 0 71 -4,-2.2 5,-3.0 -5,-0.2 3,-1.4 0.926 106.9 52.8 -63.9 -42.9 30.9 42.5 -26.1 820 366 B M H 3<>S+ 0 0 4 -4,-2.1 5,-1.4 1,-0.3 -44,-0.7 0.907 108.9 49.8 -56.6 -40.8 27.6 40.6 -26.2 821 367 B A T 3<5S+ 0 0 0 -4,-2.0 -307,-2.9 -46,-0.2 -1,-0.3 0.497 127.7 20.3 -79.2 -4.2 25.7 43.9 -25.6 822 368 B T T <>5S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.4 5,-0.2 0.476 135.1 16.6-124.5 -88.9 27.5 45.6 -28.4 823 369 B R H >5S+ 0 0 39 12,-0.4 4,-2.4 2,-0.2 -3,-0.2 0.868 126.1 53.7 -62.6 -38.6 29.3 43.7 -31.2 824 370 B G H >S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.2 4,-0.5 0.927 108.8 48.1 -58.9 -44.1 25.1 44.0 -33.8 827 373 B E H ><5S+ 0 0 61 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.907 108.0 55.0 -63.2 -41.1 26.0 40.6 -35.3 828 374 B C H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.906 111.6 44.4 -55.2 -42.9 22.6 39.2 -34.2 829 375 B L H 3<5S- 0 0 4 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.487 116.6-113.7 -82.7 -4.9 20.9 42.0 -36.1 830 376 B G T <<5 + 0 0 25 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.913 67.7 143.0 71.7 46.7 23.1 41.7 -39.1 831 377 B R > < + 0 0 2 -5,-2.7 3,-1.6 -8,-0.1 -1,-0.2 -0.754 21.1 167.3-124.1 84.0 24.8 45.1 -38.7 832 378 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.577 80.5 65.1 -70.6 -6.9 28.5 45.1 -39.6 833 379 B D T 3 S+ 0 0 15 -7,-0.1 9,-3.2 8,-0.1 2,-0.2 0.465 102.0 55.3 -89.5 -4.2 28.3 48.9 -39.4 834 380 B L S < S+ 0 0 3 -3,-1.6 -12,-0.1 7,-0.2 3,-0.0 -0.664 80.4 44.9-121.0 174.1 27.5 48.9 -35.6 835 381 B G S S+ 0 0 6 -2,-0.2 -12,-0.4 -323,-0.2 2,-0.4 0.478 91.4 83.8 77.8 5.9 28.9 47.6 -32.3 836 382 B V - 0 0 3 6,-0.2 2,-1.2 -14,-0.1 -369,-0.2 -0.997 69.6-136.7-143.3 132.0 32.6 48.6 -32.8 837 383 B L + 0 0 2 -371,-2.0 2,-0.3 -2,-0.4 -369,-0.2 -0.751 62.0 116.0 -89.8 95.6 34.4 51.9 -32.3 838 384 B E S > S- 0 0 63 -2,-1.2 3,-2.1 4,-0.2 -352,-0.3 -0.987 74.0 -73.3-158.4 151.1 36.5 52.0 -35.4 839 385 B E T 3 S+ 0 0 137 -2,-0.3 -352,-0.2 1,-0.2 3,-0.1 -0.204 117.0 22.4 -47.7 131.2 37.0 54.1 -38.5 840 386 B G T 3 S+ 0 0 34 -354,-3.0 -1,-0.2 1,-0.3 2,-0.1 0.204 97.7 109.4 95.2 -16.5 34.1 53.6 -41.0 841 387 B R S < S- 0 0 41 -3,-2.1 -355,-2.9 1,-0.1 -1,-0.3 -0.432 81.1 -78.2 -85.0 165.6 31.6 52.3 -38.5 842 388 B A B -X 485 0F 4 -9,-3.2 2,-2.2 -357,-0.2 -357,-0.3 -0.347 39.7-115.8 -62.1 142.8 28.5 54.2 -37.4 843 389 B A + 0 0 0 -359,-2.9 38,-2.4 -361,-0.1 2,-0.6 -0.525 64.2 141.0 -79.7 69.3 28.9 57.0 -34.8 844 390 B D + 0 0 7 -2,-2.2 -332,-1.9 35,-0.2 2,-0.4 -0.971 25.6 164.7-112.3 108.7 26.8 55.2 -32.2 845 391 B I E -YZ 511 878F 0 33,-2.3 33,-2.7 -2,-0.6 2,-0.4 -0.985 24.8-167.3-136.6 135.1 28.6 55.8 -28.9 846 392 B A E -YZ 510 877F 0 -336,-2.4 -336,-2.7 -2,-0.4 2,-0.4 -0.994 11.6-173.3-124.6 131.1 27.7 55.5 -25.2 847 393 B C E -YZ 509 876F 0 29,-2.6 28,-2.6 -2,-0.4 29,-1.4 -0.964 6.1-166.1-125.7 141.1 29.8 57.0 -22.4 848 394 B W E -Y 508 0F 2 -340,-2.1 -340,-2.6 -2,-0.4 2,-0.2 -0.938 27.8-111.6-120.6 145.9 29.5 56.7 -18.7 849 395 B R E -Y 507 0F 89 -2,-0.4 -342,-0.3 -342,-0.2 3,-0.2 -0.541 21.4-170.1 -74.2 140.5 31.2 58.9 -16.0 850 396 B L S S+ 0 0 36 -344,-3.3 8,-0.2 -2,-0.2 -343,-0.1 0.421 71.1 77.0-104.4 -4.1 33.9 57.2 -14.0 851 397 B D + 0 0 78 -345,-0.6 2,-0.2 5,-0.1 -1,-0.1 0.070 62.8 118.0-105.9 24.0 34.4 59.9 -11.4 852 398 B G S > S- 0 0 24 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.490 76.2-112.1 -84.6 162.2 31.4 59.5 -9.2 853 399 B V G > S+ 0 0 3 1,-0.3 3,-1.0 2,-0.2 -736,-0.2 0.816 115.9 61.4 -64.9 -28.4 31.6 58.6 -5.5 854 400 B D G 3 S+ 0 0 3 1,-0.2 15,-0.6 -737,-0.1 -1,-0.3 0.452 105.6 47.3 -77.5 -1.9 30.1 55.1 -6.2 855 401 B R G X S+ 0 0 18 -3,-1.9 3,-1.6 13,-0.1 -1,-0.2 0.250 77.9 127.5-121.5 12.1 33.0 54.3 -8.5 856 402 B V T < S+ 0 0 8 -3,-1.0 3,-0.1 -4,-0.2 -784,-0.1 -0.435 72.5 28.9 -64.1 139.4 35.9 55.4 -6.3 857 403 B G T 3 S+ 0 0 6 1,-0.3 -785,-1.1 -787,-0.1 2,-0.4 0.443 81.3 144.1 89.6 -1.2 38.4 52.5 -5.9 858 404 B V B < -q 72 0C 35 -3,-1.6 -1,-0.3 -8,-0.2 -785,-0.2 -0.586 27.1-175.0 -74.3 128.0 37.7 50.9 -9.3 859 405 B H S S+ 0 0 73 -787,-2.2 -785,-0.2 -2,-0.4 -786,-0.2 0.825 75.7 35.6 -94.2 -35.3 40.9 49.5 -10.8 860 406 B D S > S- 0 0 15 -787,-1.1 4,-2.7 -788,-0.3 -1,-0.3 -0.966 70.2-157.5-121.6 111.9 39.6 48.4 -14.2 861 407 B P H > S+ 0 0 15 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.802 90.7 55.0 -63.7 -31.5 36.8 50.7 -15.6 862 408 B A H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.948 113.0 41.4 -66.0 -47.5 35.3 48.1 -17.9 863 409 B I H >> S+ 0 0 3 1,-0.2 4,-2.5 -790,-0.2 3,-1.2 0.918 111.2 59.2 -63.4 -40.7 34.8 45.7 -15.1 864 410 B G H 3X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.827 95.8 61.6 -55.7 -34.2 33.7 48.6 -12.9 865 411 B L H 3< S+ 0 0 2 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.834 115.7 32.5 -64.0 -30.9 30.9 49.4 -15.4 866 412 B I H << S+ 0 0 3 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.798 125.8 40.1 -89.5 -36.2 29.4 45.9 -14.6 867 413 B M H < S+ 0 0 1 -4,-2.5 2,-0.3 -5,-0.1 -3,-0.2 0.462 111.1 41.5-105.5 -5.3 30.3 45.5 -11.0 868 414 B T < + 0 0 9 -4,-1.8 -536,-0.1 -5,-0.2 -13,-0.1 -0.882 67.4 72.2-134.1 166.5 29.8 48.9 -9.3 869 415 B G - 0 0 10 -15,-0.6 -535,-0.1 -2,-0.3 3,-0.1 0.046 55.1-121.7 115.9 151.3 27.5 51.8 -9.2 870 416 B L S S+ 0 0 2 1,-0.2 -452,-3.4 -537,-0.1 -451,-0.4 0.554 97.2 36.2 -92.0 -13.8 24.2 53.2 -8.0 871 417 B S B -S 417 0E 6 -454,-0.3 -454,-0.3 -453,-0.2 -1,-0.2 -0.999 49.6-161.8-150.0 138.4 23.1 54.1 -11.6 872 418 B D + 0 0 28 -456,-3.3 2,-0.2 -2,-0.3 -455,-0.2 0.249 51.1 135.6 -99.6 9.7 23.4 52.8 -15.1 873 419 B R - 0 0 49 -457,-0.4 -298,-0.2 1,-0.1 2,-0.1 -0.398 53.2-130.1 -61.5 126.9 22.5 56.2 -16.6 874 420 B A - 0 0 0 -300,-2.7 -26,-0.2 -2,-0.2 3,-0.1 -0.466 7.8-151.9 -75.6 149.7 24.8 57.1 -19.5 875 421 B S S S+ 0 0 6 -28,-2.6 13,-1.8 1,-0.3 2,-0.4 0.919 80.3 16.6 -83.7 -49.9 26.4 60.6 -19.5 876 422 B L E -Z 847 0F 1 -29,-1.4 -29,-2.6 10,-0.2 2,-0.4 -0.993 66.0-177.6-133.3 127.9 26.8 61.1 -23.2 877 423 B V E -ZA 846 885F 0 8,-2.3 7,-2.8 -2,-0.4 8,-1.6 -0.997 2.0-175.2-133.4 128.9 25.0 59.2 -26.0 878 424 B V E -ZA 845 883F 1 -33,-2.7 -33,-2.3 -2,-0.4 2,-0.4 -0.981 1.2-175.0-122.9 129.9 25.5 59.7 -29.8 879 425 B V E > S- A 0 882F 0 3,-2.4 3,-2.3 -2,-0.4 -35,-0.2 -0.996 75.4 -12.0-127.8 125.2 23.4 57.9 -32.4 880 426 B N T 3 S- 0 0 47 -2,-0.4 -36,-0.2 1,-0.3 -395,-0.1 0.835 130.0 -55.7 56.6 34.1 24.1 58.2 -36.1 881 427 B G T 3 S+ 0 0 12 -38,-2.4 2,-0.5 -397,-0.2 -1,-0.3 0.451 113.2 120.7 79.1 1.8 26.4 61.1 -35.2 882 428 B Q E < -A 879 0F 93 -3,-2.3 -3,-2.4 -39,-0.2 2,-0.6 -0.862 64.4-130.3-102.1 125.0 23.7 63.0 -33.4 883 429 B V E +A 878 0F 13 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.625 37.3 162.7 -73.2 118.7 24.2 63.9 -29.8 884 430 B L E + 0 0 8 -7,-2.8 7,-2.4 -2,-0.6 8,-0.5 0.637 60.7 34.1-114.1 -21.5 21.0 62.7 -28.0 885 431 B V E +AB 877 890F 0 -8,-1.6 -8,-2.3 5,-0.3 2,-0.3 -0.997 59.6 164.8-136.5 133.1 22.0 62.6 -24.3 886 432 B E E > S+ B 0 889F 53 3,-2.4 3,-1.9 -2,-0.4 -10,-0.2 -0.985 72.9 7.6-144.8 140.6 24.5 64.9 -22.5 887 433 B N T 3 S- 0 0 115 -2,-0.3 -11,-0.1 -12,-0.3 -12,-0.1 0.860 130.2 -64.8 56.7 35.1 24.9 65.3 -18.7 888 434 B E T 3 S+ 0 0 55 -13,-1.8 -1,-0.3 1,-0.2 -12,-0.1 0.621 116.8 109.7 64.3 14.6 22.4 62.4 -18.4 889 435 B R E < S-B 886 0F 163 -3,-1.9 -3,-2.4 -14,-0.4 -1,-0.2 -0.938 77.5-104.6-123.7 142.0 19.7 64.5 -19.9 890 436 B P E -B 885 0F 26 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.402 22.5-155.6 -62.5 139.4 18.0 64.3 -23.3 891 437 B V S S+ 0 0 69 -7,-2.4 -6,-0.1 -2,-0.1 -7,-0.1 0.847 88.5 10.4 -82.4 -37.2 19.3 66.9 -25.7 892 438 B L S S+ 0 0 112 -8,-0.5 2,-0.1 -286,-0.1 -7,-0.1 0.735 106.8 87.3-114.6 -37.0 16.2 67.0 -27.9 893 439 B A S S- 0 0 29 -9,-0.3 2,-1.2 -287,-0.1 3,-0.1 -0.424 73.8-128.7 -71.6 143.3 13.4 65.0 -26.2 894 440 B D > - 0 0 89 1,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.764 27.7-173.7 -91.8 92.9 11.1 66.7 -23.8 895 441 B L H > S+ 0 0 33 -2,-1.2 4,-2.6 1,-0.2 5,-0.2 0.910 78.0 47.7 -58.3 -47.8 11.5 64.3 -20.9 896 442 B E H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 113.8 47.5 -64.7 -39.8 8.9 65.8 -18.6 897 443 B R H > S+ 0 0 151 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.897 111.2 51.5 -67.4 -41.5 6.3 66.0 -21.3 898 444 B I H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.933 110.8 48.1 -62.5 -44.7 6.9 62.5 -22.5 899 445 B V H X S+ 0 0 14 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.951 114.7 45.7 -59.4 -47.7 6.5 61.2 -18.9 900 446 B A H X S+ 0 0 57 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.935 115.3 46.0 -62.4 -46.9 3.3 63.1 -18.5 901 447 B N H X S+ 0 0 61 -4,-3.1 4,-0.6 2,-0.2 -1,-0.2 0.915 117.2 42.0 -64.8 -44.3 1.8 62.2 -21.8 902 448 B T H >X S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.2 4,-0.7 0.928 111.1 55.3 -71.2 -42.8 2.6 58.5 -21.6 903 449 B T H >< S+ 0 0 78 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.897 102.9 57.6 -54.7 -40.5 1.6 58.2 -17.9 904 450 B A H 3< S+ 0 0 85 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.749 108.4 47.6 -61.9 -24.3 -1.8 59.6 -18.9 905 451 B L H << S+ 0 0 69 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.446 78.4 113.8-101.3 -3.7 -2.3 56.7 -21.4 906 452 B I << 0 0 34 -3,-1.1 -350,-0.1 -4,-0.7 -381,-0.0 -0.582 360.0 360.0 -69.6 124.8 -1.3 53.8 -19.2 907 453 B P 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.355 360.0 360.0 -63.8 360.0 -4.4 51.6 -18.7