==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-12 4B52 . COMPND 2 MOLECULE: BACILLOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS POLYMYXA; . AUTHOR A.RUF,M.STIHLE,J.BENZ,M.SCHMIDT,H.SOBEK . 610 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-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 . 25 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 0 0 0 0 0 0 0 0 1 1 4 0 2 0 0 2 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 PARALLEL BRIDGES PER LADDER . 2 8 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 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 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 A 0 0 60 0, 0.0 16,-2.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 163.5 8.2 -0.2 70.1 2 2 A T E -A 16 0A 101 14,-0.2 14,-0.2 12,-0.1 2,-0.2 -0.866 360.0-172.8-107.9 106.3 7.0 3.1 71.7 3 3 A G E -A 15 0A 0 12,-2.3 12,-1.9 -2,-0.7 2,-0.3 -0.515 1.0-167.8 -92.8 159.8 8.9 6.0 70.3 4 4 A T E +Ab 14 57A 53 52,-1.9 54,-3.5 10,-0.2 2,-0.3 -0.947 19.8 128.3-140.0 153.1 8.6 9.6 71.6 5 5 A G E -Ab 13 58A 5 8,-2.0 8,-2.1 -2,-0.3 2,-0.2 -0.891 50.9 -72.0 170.4 177.0 9.7 13.1 70.4 6 6 A K E -A 12 0A 116 52,-0.7 54,-0.4 -2,-0.3 58,-0.3 -0.584 36.2-140.6 -91.6 144.1 8.7 16.6 69.7 7 7 A G > - 0 0 2 4,-2.0 3,-1.9 -2,-0.2 55,-0.2 -0.222 44.6 -82.9 -84.9-173.7 6.5 17.8 66.7 8 8 A V T 3 S+ 0 0 33 53,-0.5 54,-0.1 1,-0.3 117,-0.1 0.841 131.6 55.1 -62.8 -32.1 7.1 21.0 64.7 9 9 A L T 3 S- 0 0 99 52,-0.1 -1,-0.3 119,-0.1 -3,-0.0 0.415 120.3-107.5 -85.1 5.1 5.3 23.0 67.4 10 10 A G S < S+ 0 0 42 -3,-1.9 2,-0.5 1,-0.3 -2,-0.1 0.590 73.1 140.6 84.2 12.4 7.6 21.7 70.1 11 11 A D - 0 0 64 1,-0.0 -4,-2.0 -6,-0.0 -1,-0.3 -0.749 50.8-128.6 -95.8 124.1 4.9 19.4 71.7 12 12 A T E +A 6 0A 98 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.566 38.3 163.1 -67.4 134.5 6.1 15.9 73.0 13 13 A K E -A 5 0A 32 -8,-2.1 -8,-2.0 -2,-0.3 2,-0.3 -0.947 28.5-129.3-147.5 158.0 4.0 13.0 71.6 14 14 A S E +A 4 0A 73 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.754 27.2 164.3-110.7 172.4 4.4 9.2 71.3 15 15 A F E -A 3 0A 16 -12,-1.9 -12,-2.3 -2,-0.3 2,-0.4 -0.951 40.4 -81.6-175.8 161.5 3.9 6.9 68.4 16 16 A T E +A 2 0A 38 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.699 46.5 167.6 -90.4 137.1 4.7 3.4 67.3 17 17 A T - 0 0 2 -16,-2.0 2,-0.4 -2,-0.4 12,-0.2 -0.688 28.8-116.3-132.7 179.7 8.1 2.4 65.9 18 18 A T E -C 25 0B 33 7,-2.1 7,-2.7 -2,-0.2 2,-0.3 -0.994 18.0-130.4-128.0 134.5 10.1 -0.7 65.1 19 19 A A E -C 24 0B 61 -2,-0.4 2,-0.4 5,-0.2 5,-0.3 -0.609 24.1-176.5 -85.1 130.1 13.3 -2.0 66.6 20 20 A S E > -C 23 0B 60 3,-2.9 3,-1.9 -2,-0.3 2,-0.3 -0.890 55.2 -64.3-131.2 105.2 15.9 -3.0 64.0 21 21 A G T 3 S- 0 0 87 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.430 121.6 -6.0 55.6-118.0 19.1 -4.5 65.4 22 22 A S T 3 S+ 0 0 117 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.503 133.7 31.1 -83.6 -11.5 20.7 -1.8 67.4 23 23 A S E < S-C 20 0B 36 -3,-1.9 -3,-2.9 32,-0.1 2,-0.3 -0.547 77.7-100.1-139.0-169.8 18.4 1.1 66.6 24 24 A Y E -CD 19 53B 67 29,-2.5 29,-2.1 -5,-0.3 2,-0.4 -0.971 18.1-148.5-129.9 144.3 14.7 2.1 65.6 25 25 A Q E -CD 18 52B 43 -7,-2.7 2,-2.2 -2,-0.3 -7,-2.1 -0.866 29.0-116.1-106.9 148.8 12.9 2.8 62.4 26 26 A L S S+ 0 0 0 25,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.518 74.8 121.6 -84.6 78.4 10.0 5.2 62.1 27 27 A K E -E 36 0C 61 -2,-2.2 2,-0.6 9,-0.2 9,-0.2 -0.993 46.5-162.4-149.8 122.1 7.6 2.5 61.0 28 28 A D E > -E 35 0C 1 7,-3.3 7,-2.9 -2,-0.4 3,-0.6 -0.953 6.9-178.6-111.4 111.5 4.4 1.4 62.7 29 29 A T T 3 + 0 0 90 -2,-0.6 -1,-0.1 5,-0.2 5,-0.1 0.368 67.9 79.9 -92.9 10.3 3.3 -2.1 61.5 30 30 A T T 3 S+ 0 0 99 5,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.457 78.5 69.2 -95.5 -3.7 0.2 -2.2 63.6 31 31 A R S X S- 0 0 50 -3,-0.6 3,-2.4 62,-0.1 62,-0.3 -0.977 114.7 -59.2-120.4 112.7 -2.2 -0.0 61.3 32 32 A G T 3 S- 0 0 31 -2,-0.5 59,-0.1 1,-0.3 3,-0.1 -0.163 116.1 -19.8 47.1-137.9 -3.1 -1.7 58.1 33 33 A N T 3 S- 0 0 111 57,-2.8 -1,-0.3 1,-0.3 59,-0.2 0.285 123.0 -75.3 -79.3 11.7 -0.1 -2.6 56.0 34 34 A G < - 0 0 1 -3,-2.4 59,-2.9 57,-0.1 2,-0.5 -0.251 27.2-111.9 122.3 154.2 1.8 -0.1 58.0 35 35 A V E +Ef 28 93C 0 -7,-2.9 -7,-3.3 57,-0.2 2,-0.4 -0.984 42.8 177.0-118.5 120.7 2.5 3.5 58.6 36 36 A V E -Ef 27 94C 2 57,-3.0 59,-1.9 -2,-0.5 2,-0.4 -0.979 13.9-158.9-134.8 135.3 6.1 4.3 57.5 37 37 A T E - f 0 95C 0 -11,-2.8 14,-2.3 -2,-0.4 -11,-0.3 -0.921 11.1-176.4-126.4 131.1 8.0 7.6 57.4 38 38 A Y E -Gf 50 96C 22 57,-2.9 59,-2.9 -2,-0.4 2,-0.4 -0.704 21.1-133.0-121.5 159.0 11.0 8.6 55.4 39 39 A T E -Gf 49 97C 21 10,-3.4 10,-2.3 -2,-0.2 59,-0.2 -0.947 0.3-160.2-109.0 137.6 13.4 11.5 54.9 40 40 A A > - 0 0 6 57,-2.6 3,-2.3 -2,-0.4 5,-0.4 0.298 38.8-130.2 -90.3 6.9 14.3 12.7 51.4 41 41 A S T 3 - 0 0 42 56,-0.4 58,-0.1 1,-0.3 57,-0.1 0.836 64.3 -58.4 52.7 37.3 17.4 14.3 53.1 42 42 A N T 3 S+ 0 0 79 56,-2.0 -1,-0.3 1,-0.3 2,-0.2 0.653 119.4 100.5 63.4 20.2 16.7 17.7 51.4 43 43 A R S < S- 0 0 168 -3,-2.3 57,-2.9 55,-0.4 -1,-0.3 -0.587 81.2-111.9-114.2-177.3 16.8 16.3 47.9 44 44 A Q S S+ 0 0 50 -2,-0.2 2,-0.5 55,-0.2 414,-0.1 0.124 71.9 116.0-110.4 21.4 13.9 15.4 45.7 45 45 A S - 0 0 70 -5,-0.4 -2,-0.2 2,-0.1 55,-0.1 -0.770 61.3-121.3 -86.5 134.1 14.0 11.6 45.4 46 46 A I S S+ 0 0 27 -2,-0.5 -6,-0.1 525,-0.2 -2,-0.0 -0.974 82.5 15.5-122.0 146.1 11.1 9.9 47.0 47 47 A P S S- 0 0 41 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.926 85.3-176.7 -78.6 -22.2 10.4 8.0 49.1 48 48 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.818 44.8 -36.0 104.3-147.1 14.0 8.5 50.4 49 49 A T E -G 39 0C 84 -10,-2.3 -10,-3.4 -2,-0.3 -8,-0.2 -0.917 64.9-100.6-119.6 143.7 15.2 6.5 53.3 50 50 A I E -G 38 0C 44 -2,-0.4 -12,-0.3 -12,-0.3 2,-0.1 -0.339 46.3-107.3 -57.3 132.1 13.2 5.4 56.4 51 51 A L - 0 0 15 -14,-2.3 -25,-2.5 -25,-0.3 2,-0.3 -0.434 41.8-168.5 -69.3 140.0 13.9 7.6 59.4 52 52 A T E -D 25 0B 91 -27,-0.2 2,-0.3 -2,-0.1 -27,-0.2 -0.919 14.3-177.3-129.5 153.7 16.1 6.0 62.0 53 53 A D E -D 24 0B 35 -29,-2.1 -29,-2.5 -2,-0.3 3,-0.1 -0.973 24.2-139.0-150.5 148.2 17.1 6.8 65.7 54 54 A A S S+ 0 0 74 -2,-0.3 -1,-0.1 -31,-0.2 4,-0.1 0.783 98.7 24.6 -81.1 -28.2 19.4 5.0 68.0 55 55 A D S S- 0 0 108 2,-0.2 -1,-0.2 -31,-0.1 3,-0.1 0.400 102.3-111.1-123.8 5.0 17.4 5.2 71.3 56 56 A N S S+ 0 0 12 1,-0.2 -52,-1.9 -32,-0.1 2,-0.6 0.538 86.1 113.0 70.8 11.4 13.8 5.7 70.2 57 57 A V E -b 4 0A 81 -54,-0.2 -2,-0.2 2,-0.0 2,-0.2 -0.936 65.0-142.0-108.6 111.9 13.6 9.3 71.4 58 58 A W E -b 5 0A 12 -54,-3.5 -52,-0.7 -2,-0.6 2,-0.5 -0.489 26.9-171.9 -88.4 135.9 13.3 11.3 68.1 59 59 A N + 0 0 147 -2,-0.2 -54,-0.1 -54,-0.1 -52,-0.1 -0.738 60.0 94.2-120.0 75.1 14.8 14.5 67.1 60 60 A D > - 0 0 28 -2,-0.5 4,-2.8 -54,-0.4 5,-0.2 -0.518 48.9-171.9-159.5 87.6 13.1 15.3 63.8 61 61 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 -53,-0.5 0.894 85.6 51.0 -51.8 -47.8 10.0 17.4 64.3 62 62 A A H > S+ 0 0 5 1,-0.2 4,-2.6 -55,-0.2 5,-0.2 0.904 114.4 42.5 -55.2 -46.2 8.8 17.1 60.7 63 63 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.897 111.3 54.4 -72.8 -39.1 9.1 13.3 60.7 64 64 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 -58,-0.3 5,-0.2 0.930 114.9 41.4 -59.1 -46.3 7.5 12.9 64.2 65 65 A D H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.906 113.3 51.8 -70.8 -37.4 4.5 15.0 63.1 66 66 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.880 117.8 40.8 -64.9 -36.5 4.2 13.3 59.6 67 67 A H H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.917 117.1 44.9 -77.8 -49.4 4.2 9.9 61.3 68 68 A T H X S+ 0 0 9 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.914 116.1 46.1 -62.5 -52.4 2.0 10.6 64.3 69 69 A Y H X S+ 0 0 23 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.850 109.5 54.6 -63.9 -32.6 -0.6 12.5 62.2 70 70 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.3 -2,-0.2 0.951 112.3 45.5 -60.8 -42.5 -0.6 9.8 59.5 71 71 A A H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.949 114.0 47.9 -65.8 -44.2 -1.3 7.3 62.4 72 72 A K H X S+ 0 0 119 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.852 112.2 49.5 -62.3 -36.4 -4.0 9.6 63.9 73 73 A T H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.922 108.4 53.6 -71.4 -41.3 -5.6 10.1 60.4 74 74 A Y H X S+ 0 0 16 -4,-3.0 4,-2.3 1,-0.2 11,-0.3 0.949 112.6 44.3 -49.6 -51.9 -5.6 6.3 59.9 75 75 A D H X S+ 0 0 66 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.849 111.4 52.5 -67.0 -37.9 -7.4 5.9 63.3 76 76 A Y H X S+ 0 0 23 -4,-1.9 4,-3.3 2,-0.2 5,-0.5 0.916 109.8 49.5 -62.9 -43.4 -9.9 8.8 62.5 77 77 A Y H X S+ 0 0 3 -4,-2.5 4,-1.9 2,-0.2 6,-1.7 0.932 115.6 42.4 -67.2 -44.7 -10.9 7.2 59.1 78 78 A K H X S+ 0 0 90 -4,-2.3 4,-1.1 4,-0.3 -2,-0.2 0.933 120.3 42.9 -65.9 -43.3 -11.5 3.8 60.7 79 79 A A H < S+ 0 0 87 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.917 124.0 32.8 -66.6 -43.3 -13.3 5.2 63.7 80 80 A K H < S+ 0 0 58 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.855 137.7 14.0 -93.1 -30.3 -15.4 7.8 62.0 81 81 A F H < S- 0 0 29 -4,-1.9 -3,-0.2 -5,-0.5 -2,-0.2 0.352 92.8-118.1-126.3 3.3 -16.2 6.2 58.6 82 82 A G < + 0 0 62 -4,-1.1 2,-0.4 -5,-0.3 -4,-0.3 0.733 64.0 145.5 65.2 24.4 -15.2 2.6 59.0 83 83 A R - 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0 0 9 -5,-1.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.944 61.3-110.9-114.1 151.4 14.2 27.7 30.2 507 202 B P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 7,-0.0 -0.478 20.6-167.8 -71.8 150.8 17.6 26.1 31.4 508 203 B D S S+ 0 0 21 1,-0.2 2,-0.3 -2,-0.1 3,-0.1 0.230 70.8 53.1-119.4 7.7 19.5 24.1 28.8 509 204 B H S > S- 0 0 24 1,-0.1 3,-2.6 98,-0.1 98,-0.2 -0.991 79.6-124.6-146.8 145.7 21.9 22.5 31.3 510 205 B Y G > S+ 0 0 81 96,-3.0 3,-2.3 -2,-0.3 97,-0.2 0.783 106.3 69.4 -58.0 -35.1 21.5 20.6 34.6 511 206 B S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 95,-0.2 96,-0.1 0.715 101.7 49.3 -58.6 -15.9 23.7 23.0 36.5 512 207 B N G < S+ 0 0 103 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.208 79.5 146.5-113.2 20.6 20.8 25.5 36.0 513 208 B L < - 0 0 37 -3,-2.3 2,-0.5 1,-0.1 9,-0.1 -0.213 51.0-122.7 -50.0 131.6 18.0 23.3 37.2 514 209 B Y + 0 0 79 8,-0.2 -1,-0.1 1,-0.1 12,-0.1 -0.745 30.7 177.5 -73.6 129.9 15.2 25.1 39.0 515 210 B T + 0 0 78 -2,-0.5 -414,-0.4 -58,-0.0 -1,-0.1 0.245 42.1 105.2-123.0 14.8 14.6 23.6 42.5 516 211 B G S S- 0 0 23 -413,-0.1 -413,-0.1 -416,-0.1 -414,-0.1 -0.177 77.7-110.5 -81.6-173.6 11.9 25.8 43.9 517 212 B S S >> S+ 0 0 26 -415,-0.2 3,-0.6 4,-0.1 4,-0.6 0.583 75.3 114.2 -97.0 -7.2 8.2 24.8 44.4 518 213 B S H >> S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 3,-0.8 -0.288 82.7 14.9 -64.3 149.2 6.5 27.0 41.7 519 214 B D H 3> S- 0 0 69 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.889 137.5 -59.8 58.2 42.4 4.9 25.2 38.8 520 215 B N H <4 S- 0 0 42 -3,-0.6 -63,-1.9 1,-0.2 -1,-0.3 0.836 115.7 -32.3 50.8 45.6 5.1 21.9 40.7 521 216 B G H << S- 0 0 1 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.748 114.3 -62.3 86.0 21.2 8.9 22.0 41.0 522 217 B G H >X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.1 3,-2.0 0.784 76.4 163.6 80.0 32.3 9.4 23.8 37.7 523 218 B V H 3X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.3 -58,-0.2 0.797 78.0 40.8 -60.0 -32.1 8.0 21.1 35.4 524 219 B H H 34 S+ 0 0 19 -5,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.454 118.8 46.7 -90.1 -3.0 7.6 23.5 32.4 525 220 B T H X4 S+ 0 0 48 -3,-2.0 3,-1.5 -6,-0.2 -2,-0.2 0.843 111.0 46.8-102.4 -49.6 10.9 25.2 33.0 526 221 B N H >X S+ 0 0 2 -4,-3.2 3,-1.4 1,-0.3 4,-0.6 0.606 90.0 81.7 -75.1 -20.5 13.2 22.2 33.6 527 222 B S H 3X S+ 0 0 0 -4,-0.6 4,-2.3 -5,-0.4 -1,-0.3 0.719 75.6 77.7 -51.5 -23.4 11.9 20.4 30.5 528 223 B G H <> S+ 0 0 0 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.887 87.9 57.4 -53.7 -34.5 14.3 22.6 28.6 529 224 B I H <> S+ 0 0 0 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.925 110.6 40.5 -67.1 -41.4 17.2 20.4 29.7 530 225 B I H X S+ 0 0 0 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.875 112.2 55.4 -76.0 -40.1 15.7 17.2 28.3 531 226 B N H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.872 108.5 49.9 -54.0 -40.0 14.5 19.0 25.1 532 227 B K H X S+ 0 0 21 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.881 109.1 50.9 -66.8 -37.3 18.1 20.1 24.6 533 228 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 111.4 48.0 -67.9 -41.4 19.4 16.6 25.1 534 229 B Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.943 112.0 50.3 -62.7 -50.6 16.8 15.3 22.5 535 230 B Y H X>S+ 0 0 42 -4,-2.6 4,-3.0 -37,-0.3 5,-0.7 0.911 111.0 48.3 -52.9 -49.0 17.9 18.1 20.1 536 231 B L H X5S+ 0 0 3 -4,-2.8 4,-1.1 3,-0.2 -1,-0.2 0.891 110.5 51.2 -63.5 -37.6 21.6 17.3 20.5 537 232 B L H <5S+ 0 0 0 -4,-2.3 14,-2.8 -5,-0.2 15,-0.3 0.960 119.9 36.5 -61.5 -43.6 20.8 13.5 19.9 538 233 B A H <5S+ 0 0 6 -4,-2.9 14,-2.7 12,-0.2 -2,-0.2 0.970 133.5 21.1 -71.8 -58.3 18.9 14.3 16.7 539 234 B Q H <5S- 0 0 113 -4,-3.0 11,-0.5 -5,-0.2 -3,-0.2 0.745 95.3-139.2 -86.2 -33.1 20.9 17.2 15.3 540 235 B G << + 0 0 8 -4,-1.1 2,-0.3 -5,-0.7 9,-0.2 -0.113 31.5 157.6 84.3 169.5 24.3 16.9 16.9 541 236 B G E -X 548 0L 30 7,-2.5 7,-2.8 -5,-0.1 2,-0.5 -0.890 44.4 -91.6 154.7 165.0 26.3 19.8 18.2 542 237 B T E +X 547 0L 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 48.0 164.1-111.9 125.0 29.1 20.9 20.5 543 238 B F E > -X 546 0L 29 3,-2.6 3,-2.3 -2,-0.5 -2,-0.0 -0.994 65.2 -7.6-148.8 127.7 27.7 22.0 23.9 544 239 B H T 3 S- 0 0 110 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.900 130.2 -56.4 49.7 39.6 29.6 22.5 27.3 545 240 B G T 3 S+ 0 0 74 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.383 113.1 116.8 76.6 -4.8 32.6 21.0 25.5 546 241 B V E < -X 543 0L 29 -3,-2.3 -3,-2.6 59,-0.1 2,-0.5 -0.845 53.7-148.7 -97.8 129.1 31.0 17.7 24.5 547 242 B T E -X 542 0L 68 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.884 11.8-165.9 -96.2 133.9 30.6 17.0 20.8 548 243 B V E -X 541 0L 3 -7,-2.8 -7,-2.5 -2,-0.5 2,-0.6 -0.972 15.0-142.1-122.4 122.3 27.6 14.9 19.9 549 244 B N - 0 0 129 -2,-0.5 -9,-0.2 -9,-0.2 53,-0.1 -0.818 31.0-124.1 -85.8 120.8 27.3 13.3 16.5 550 245 B G - 0 0 36 -2,-0.6 -12,-0.2 -11,-0.5 -11,-0.2 -0.293 19.5-163.0 -73.6 153.7 23.7 13.7 15.5 551 246 B I - 0 0 29 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.469 45.8-100.2-112.8 1.5 21.6 10.6 14.6 552 247 B G > - 0 0 34 -14,-2.7 4,-2.2 -15,-0.3 -1,-0.2 0.052 31.3 -91.0 92.7 147.2 18.6 12.2 12.8 553 248 B R H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.854 122.2 61.7 -57.6 -34.8 15.1 12.8 14.1 554 249 B D H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.918 112.1 34.2 -61.3 -49.0 13.9 9.4 12.8 555 250 B A H > S+ 0 0 9 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.917 118.1 53.1 -71.6 -41.9 16.3 7.4 15.1 556 251 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.813 109.0 48.7 -66.3 -34.3 16.2 9.8 18.0 557 252 B V H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.889 110.3 50.9 -79.1 -34.7 12.4 9.8 18.2 558 253 B Q H X S+ 0 0 65 -4,-1.3 4,-2.5 -5,-0.3 5,-0.2 0.901 112.5 48.2 -59.7 -44.9 12.2 5.9 18.1 559 254 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 114.5 44.5 -61.6 -46.1 14.8 5.8 20.9 560 255 B Y H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.953 111.5 54.0 -67.6 -48.6 12.9 8.4 23.0 561 256 B Y H X S+ 0 0 27 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.955 114.1 40.6 -47.5 -55.4 9.6 6.7 22.3 562 257 B S H X>S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 5,-0.9 0.963 114.8 52.7 -59.1 -45.7 10.9 3.3 23.5 563 258 B A H X>S+ 0 0 1 -4,-2.5 5,-1.3 -5,-0.2 4,-0.9 0.902 114.6 40.5 -57.9 -39.8 12.7 4.9 26.4 564 259 B F H <5S+ 0 0 2 -4,-2.6 -113,-0.4 1,-0.2 -1,-0.2 0.808 122.6 37.6 -86.8 -27.7 9.7 6.7 27.7 565 260 B T H <5S+ 0 0 20 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.656 128.7 27.2-100.2 -12.4 7.1 4.1 27.2 566 261 B N H <5S+ 0 0 111 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.736 127.0 29.2-110.6 -39.6 9.1 1.0 28.1 567 262 B Y T < - 0 0 83 -2,-0.1 3,-1.9 -117,-0.1 -117,-0.1 -0.746 41.0 -86.1-129.5 177.0 8.4 4.6 35.6 570 265 B S T 3 S+ 0 0 35 1,-0.3 -116,-2.0 -2,-0.3 -118,-0.1 0.743 126.8 44.3 -61.6 -25.4 6.3 7.1 37.4 571 266 B S T 3 S+ 0 0 68 -118,-0.2 -1,-0.3 -120,-0.1 -525,-0.2 0.310 81.8 139.8 -97.3 1.4 9.2 8.2 39.7 572 267 B S < - 0 0 4 -3,-1.9 -110,-0.2 -121,-0.2 2,-0.2 -0.140 32.5-164.2 -47.0 136.4 11.9 8.4 37.0 573 268 B D > - 0 0 43 -115,-0.1 4,-1.7 -114,-0.1 3,-0.2 -0.506 41.1 -83.9-111.9-173.3 14.4 11.4 37.2 574 269 B F H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.4 0.936 129.2 55.4 -62.5 -39.4 16.8 12.9 34.7 575 270 B S H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 107.8 47.9 -59.3 -38.6 19.4 10.3 35.7 576 271 B N H > S+ 0 0 68 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.823 108.2 56.2 -66.0 -31.8 16.9 7.4 34.9 577 272 B A H X S+ 0 0 1 -4,-1.7 4,-2.9 -3,-0.4 5,-0.2 0.895 105.4 50.2 -69.5 -43.5 16.1 9.0 31.6 578 273 B R H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.938 113.3 47.4 -53.6 -49.6 19.7 9.1 30.5 579 274 B A H X S+ 0 0 61 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.922 114.6 45.5 -68.1 -39.1 19.9 5.3 31.4 580 275 B A H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.900 112.0 50.3 -68.7 -43.2 16.7 4.5 29.6 581 276 B V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.945 111.7 50.0 -60.7 -42.7 17.6 6.5 26.5 582 277 B I H X S+ 0 0 27 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.939 111.6 48.0 -59.4 -42.9 21.0 4.7 26.4 583 278 B Q H X S+ 0 0 82 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.955 111.0 49.8 -68.3 -44.8 19.3 1.3 26.8 584 279 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.879 109.6 51.7 -57.8 -41.3 16.9 2.0 24.0 585 280 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.4 0.919 112.1 47.4 -57.9 -48.5 19.7 3.1 21.7 586 281 B K H X S+ 0 0 79 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 110.6 51.8 -60.4 -46.2 21.5 -0.2 22.5 587 282 B D H < S+ 0 0 80 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.903 119.0 35.9 -57.0 -40.9 18.4 -2.3 21.9 588 283 B Q H < S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.714 135.1 16.8 -90.9 -24.6 17.8 -0.7 18.6 589 284 B Y H < S- 0 0 93 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.500 112.1 -88.4-126.7 -14.3 21.3 -0.2 17.2 590 285 B G >< - 0 0 31 -4,-2.1 3,-1.4 -5,-0.4 6,-0.3 -0.107 40.3 -80.8 111.5 149.1 23.7 -2.4 19.2 591 286 B A T 3 S+ 0 0 60 1,-0.3 -1,-0.1 -4,-0.1 -5,-0.1 0.826 128.7 31.4 -49.3 -37.2 25.7 -2.0 22.4 592 287 B N T 3 S+ 0 0 153 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.315 90.5 136.1-110.1 9.3 28.5 -0.2 20.8 593 288 B S <> - 0 0 17 -3,-1.4 4,-2.1 1,-0.1 5,-0.1 0.039 68.9-114.6 -55.8 160.1 26.7 1.7 18.0 594 289 B A H > S+ 0 0 71 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.855 120.9 55.6 -57.0 -37.1 27.1 5.3 17.1 595 290 B E H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 105.4 48.4 -66.9 -43.6 23.6 5.7 18.3 596 291 B A H > S+ 0 0 7 -6,-0.3 4,-2.1 -11,-0.3 -2,-0.2 0.915 114.8 47.1 -63.9 -35.8 24.4 4.3 21.8 597 292 B T H X S+ 0 0 78 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 112.9 47.5 -67.8 -44.8 27.5 6.6 22.0 598 293 B A H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.883 109.4 55.8 -64.9 -41.5 25.5 9.8 20.8 599 294 B A H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.963 110.6 42.9 -57.4 -47.4 22.8 9.0 23.3 600 295 B A H X S+ 0 0 22 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 115.5 49.0 -63.3 -42.8 25.3 8.9 26.2 601 296 B K H X S+ 0 0 77 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.827 102.1 62.9 -68.8 -29.6 27.1 12.1 25.0 602 297 B S H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.909 109.0 41.7 -64.6 -38.3 23.8 13.9 24.6 603 298 B F H <>S+ 0 0 0 -4,-1.3 5,-2.2 2,-0.2 4,-0.5 0.867 111.3 55.8 -73.2 -38.6 23.2 13.6 28.3 604 299 B D H ><5S+ 0 0 56 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.933 105.0 54.1 -52.3 -46.2 26.9 14.4 29.1 605 300 B A H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.8 46.3 -63.1 -36.6 26.5 17.7 27.1 606 301 B V T 3<5S- 0 0 0 -4,-1.1 -96,-3.0 -5,-0.2 -1,-0.3 0.398 118.6-106.9 -90.0 5.4 23.5 18.8 29.2 607 302 B G T < 5S+ 0 0 16 -3,-1.5 2,-0.7 -4,-0.5 -3,-0.2 0.630 75.0 134.4 88.7 9.2 25.1 17.9 32.7 608 303 B V < 0 0 3 -5,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.842 360.0 360.0 -95.1 109.9 23.0 14.7 33.3 609 304 B N 0 0 138 -2,-0.7 -1,-0.2 -3,-0.1 -5,-0.1 0.649 360.0 360.0-103.8 360.0 25.1 11.9 34.6 610 !* 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 0.0 611 501 A X 0 0 70 0, 0.0 -504,-0.1 0, 0.0 -506,-0.1 0.000 360.0 360.0 360.0 360.0 -1.8 22.0 49.6 612 !* 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 0.0 613 501 B X 0 0 66 0, 0.0 -201,-0.1 0, 0.0 -203,-0.1 0.000 360.0 360.0 360.0 360.0 0.9 23.3 27.6