==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-04 1UWS . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR T.M.GLOSTER,S.ROBERTS,V.M-A.DUCROS,G.PERUGINO,M.ROSSI,R.HOOS . 968 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 686 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 4.9 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 . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 64 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.3 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 4 2 2 2 1 4 1 2 2 0 4 0 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 5 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 3 5 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 . 4 2 0 0 0 0 0 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 0 108 0, 0.0 2,-0.5 0, 0.0 467,-0.2 0.000 360.0 360.0 360.0 160.4 57.3 91.1 31.2 2 2 A Y E -A 467 0A 65 465,-2.2 465,-2.1 2,-0.0 2,-0.3 -0.929 360.0-163.7-121.7 101.4 54.1 92.1 29.6 3 3 A S E -A 466 0A 64 -2,-0.5 463,-0.2 463,-0.2 462,-0.1 -0.715 4.8-146.7 -96.1 139.3 54.0 95.9 29.4 4 4 A F - 0 0 17 461,-2.6 402,-0.0 -2,-0.3 -1,-0.0 -0.628 35.7 -80.4-100.1 159.2 50.9 97.9 28.8 5 5 A P > - 0 0 59 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.160 43.2-112.8 -55.1 152.3 50.6 101.2 26.8 6 6 A N T 3 S+ 0 0 178 1,-0.3 -2,-0.0 -3,-0.1 459,-0.0 0.720 117.6 50.5 -61.6 -24.5 51.6 104.3 28.9 7 7 A S T 3 S+ 0 0 95 2,-0.1 -1,-0.3 410,-0.0 2,-0.1 0.553 84.6 110.8 -88.6 -12.5 48.0 105.6 28.8 8 8 A F < - 0 0 19 -3,-1.5 2,-0.4 457,-0.1 409,-0.2 -0.415 55.0-154.1 -67.4 135.3 46.5 102.2 30.0 9 9 A R E -b 417 0B 78 407,-1.8 409,-1.9 -2,-0.1 2,-0.4 -0.931 9.2-153.9-118.9 139.8 45.0 102.4 33.5 10 10 A F E +b 418 0B 7 -2,-0.4 66,-2.9 64,-0.2 67,-0.8 -0.892 40.4 116.1-102.2 136.7 44.5 99.6 36.1 11 11 A G E -bc 419 77B 0 407,-2.6 409,-2.4 -2,-0.4 2,-0.3 -0.694 49.3 -86.4-163.6-141.2 41.8 100.1 38.7 12 12 A W E -bc 420 78B 0 65,-1.3 67,-1.9 407,-0.4 2,-0.3 -0.961 14.7-139.5-152.0 159.5 38.5 98.7 40.0 13 13 A S E + c 0 79B 0 407,-2.0 410,-0.5 -2,-0.3 409,-0.4 -0.910 24.3 167.3-119.8 150.2 34.8 98.7 39.7 14 14 A Q - 0 0 2 65,-1.9 2,-0.3 -2,-0.3 67,-0.2 -0.972 24.8-127.3-156.9 165.0 32.1 98.7 42.4 15 15 A A > - 0 0 1 -2,-0.3 4,-1.6 65,-0.2 5,-0.3 -0.890 15.2-130.4-119.8 151.8 28.4 99.3 42.8 16 16 A G H > S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.939 106.5 44.7 -64.6 -51.3 26.5 101.6 45.2 17 17 A F H 4 S+ 0 0 3 1,-0.2 4,-0.3 132,-0.2 -1,-0.2 0.812 116.6 48.0 -62.5 -33.4 24.0 99.1 46.6 18 18 A Q H 4 S+ 0 0 3 1,-0.1 409,-2.3 408,-0.1 -1,-0.2 0.813 128.5 17.4 -78.5 -30.3 26.7 96.5 47.1 19 19 A S H < S+ 0 0 0 -4,-1.6 40,-3.0 407,-0.2 41,-0.3 0.681 106.6 73.5-116.6 -24.9 29.3 98.6 48.8 20 20 A E S < S+ 0 0 5 -4,-2.7 40,-2.3 -5,-0.3 3,-0.5 0.936 81.6 71.7 -67.5 -50.7 27.7 101.8 50.2 21 21 A M + 0 0 4 -5,-0.4 37,-2.6 -4,-0.3 38,-0.4 -0.161 59.5 79.5 -72.5 159.2 25.7 100.6 53.2 22 22 A G S S+ 0 0 9 1,-0.4 -1,-0.2 32,-0.2 32,-0.1 -0.020 70.6 88.6 134.5 -29.8 27.2 99.4 56.5 23 23 A T S > S- 0 0 21 -3,-0.5 3,-2.0 1,-0.1 -1,-0.4 -0.841 91.7-100.8 -93.7 127.1 28.1 102.6 58.3 24 24 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 -0.223 111.9 34.3 -43.0 133.6 25.2 104.1 60.5 25 25 A G T 3 S+ 0 0 75 -3,-0.0 -4,-0.0 36,-0.0 0, 0.0 0.247 96.2 89.2 99.6 -9.7 23.6 106.9 58.5 26 26 A S < + 0 0 3 -3,-2.0 -5,-0.1 28,-0.1 34,-0.0 0.524 52.5 131.9 -96.4 -7.0 24.1 105.3 55.1 27 27 A E - 0 0 94 -4,-0.2 27,-0.0 27,-0.1 0, 0.0 -0.206 32.2-174.9 -56.8 130.4 20.8 103.3 54.9 28 28 A D + 0 0 8 1,-0.1 3,-0.3 -11,-0.1 6,-0.1 -0.867 12.4 166.1-125.9 94.2 18.9 103.6 51.7 29 29 A P + 0 0 47 0, 0.0 2,-0.3 0, 0.0 6,-0.1 0.428 52.9 92.9 -84.9 1.0 15.6 101.7 52.2 30 30 A N + 0 0 62 4,-0.1 124,-1.9 5,-0.0 2,-0.3 -0.113 63.5 90.3 -98.4 37.5 14.0 103.2 49.0 31 31 A T B > S-K 153 0C 0 -2,-0.3 4,-2.3 122,-0.3 5,-0.2 -0.901 76.7-122.2-125.3 159.0 14.8 100.7 46.3 32 32 A D H > S+ 0 0 5 120,-2.3 4,-3.0 -2,-0.3 5,-0.1 0.930 115.9 53.2 -55.6 -45.0 13.2 97.7 44.8 33 33 A W H > S+ 0 0 5 119,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 107.3 50.7 -62.3 -42.5 16.3 95.7 45.7 34 34 A Y H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.960 115.0 42.4 -58.8 -50.9 16.2 96.8 49.4 35 35 A K H X S+ 0 0 73 -4,-2.3 4,-0.7 1,-0.2 3,-0.4 0.927 112.5 55.9 -61.2 -43.1 12.6 95.7 49.7 36 36 A W H >< S+ 0 0 2 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.895 109.0 43.9 -56.3 -46.9 13.2 92.5 47.7 37 37 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 13,-0.2 0.699 114.2 50.9 -79.8 -16.2 16.0 91.3 50.0 38 38 A H H 3< S+ 0 0 50 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.516 82.2 121.9 -91.1 -5.2 14.1 92.2 53.2 39 39 A D S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.890 98.7 47.5 -54.9 -43.9 9.7 87.6 54.4 41 41 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 6,-0.2 0.924 111.0 50.9 -68.2 -41.8 8.4 85.4 51.7 42 42 A N H >>S+ 0 0 1 1,-0.2 5,-1.8 2,-0.2 6,-1.2 0.892 112.3 48.3 -60.1 -38.3 11.6 85.7 49.6 43 43 A M H ><5S+ 0 0 66 -4,-2.3 3,-0.9 2,-0.2 -2,-0.2 0.932 111.0 48.9 -67.1 -44.8 13.7 84.8 52.6 44 44 A A H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.8 49.4 -64.7 -35.0 11.6 81.8 53.5 45 45 A A H 3<5S- 0 0 72 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.606 110.4-124.2 -76.0 -14.5 11.8 80.5 49.9 46 46 A G T <<5S+ 0 0 58 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.648 74.3 129.6 73.7 16.1 15.6 81.0 49.9 47 47 A L S - 0 0 37 -2,-0.2 3,-1.9 -3,-0.1 -18,-0.1 -0.931 13.2-134.3-123.8 141.2 21.0 92.5 54.4 53 53 A P G > S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 374,-0.1 0.728 99.6 71.7 -66.8 -24.4 22.9 95.3 52.6 54 54 A E G 3 S+ 0 0 37 1,-0.3 -32,-0.2 -33,-0.1 -28,-0.1 0.581 93.8 59.3 -65.2 -10.2 22.7 97.7 55.6 55 55 A N G < S+ 0 0 91 -3,-1.9 -1,-0.3 -34,-0.1 -33,-0.1 0.072 91.3 124.4-100.0 25.8 25.3 95.3 57.2 56 56 A G S < S- 0 0 0 -3,-1.6 -37,-0.1 1,-0.1 370,-0.1 0.232 81.4 -75.7 -81.2-165.7 27.7 96.0 54.3 57 57 A P - 0 0 0 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.610 60.3-127.9 -76.3 -11.7 31.3 97.2 53.9 58 58 A G > + 0 0 0 -37,-2.6 4,-3.0 -39,-0.2 3,-0.4 0.850 48.2 158.2 77.0 39.4 30.4 100.9 54.5 59 59 A Y H > S+ 0 0 6 -40,-3.0 4,-1.2 -38,-0.4 -39,-0.2 0.835 70.2 68.2 -61.1 -30.6 31.8 102.8 51.6 60 60 A W H 4 S+ 0 0 25 -40,-2.3 -1,-0.2 -41,-0.3 -39,-0.1 0.928 118.2 20.3 -55.3 -47.8 29.3 105.6 52.3 61 61 A G H 4 S+ 0 0 40 -41,-0.4 3,-0.3 -3,-0.4 -2,-0.2 0.812 130.9 44.6 -87.5 -33.6 31.1 106.4 55.5 62 62 A N H >X + 0 0 50 -4,-3.0 4,-1.7 -42,-0.2 3,-1.1 0.207 68.9 120.8-104.3 14.5 34.5 104.9 54.9 63 63 A Y H 3X S+ 0 0 23 -4,-1.2 4,-3.0 1,-0.3 5,-0.2 0.791 70.5 61.1 -50.8 -36.9 35.3 105.9 51.4 64 64 A K H 3> S+ 0 0 119 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.903 106.3 47.3 -59.7 -41.5 38.5 107.8 52.4 65 65 A T H <> S+ 0 0 67 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.906 111.2 50.5 -61.9 -46.9 40.0 104.4 53.6 66 66 A F H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.954 114.2 45.5 -54.3 -49.5 38.9 102.6 50.4 67 67 A H H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.853 108.1 56.5 -65.6 -37.6 40.6 105.4 48.4 68 68 A D H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.928 111.4 44.3 -56.3 -48.3 43.7 105.3 50.6 69 69 A N H X S+ 0 0 19 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 111.3 51.9 -65.7 -45.5 44.1 101.6 49.9 70 70 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 -1,-0.2 0.888 111.5 48.4 -56.0 -44.2 43.4 102.0 46.2 71 71 A Q H ><5S+ 0 0 94 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.920 110.3 50.0 -62.1 -47.7 46.1 104.8 46.0 72 72 A K H 3<5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 106.5 57.9 -59.6 -30.7 48.6 102.6 47.9 73 73 A M T 3<5S- 0 0 0 -4,-1.9 390,-0.3 -5,-0.2 -1,-0.3 0.514 117.0-116.3 -79.8 -5.4 47.8 99.8 45.4 74 74 A G T < 5 + 0 0 17 -3,-1.6 -64,-0.2 1,-0.2 -3,-0.2 0.679 55.9 163.7 81.2 18.1 48.9 102.1 42.5 75 75 A L < - 0 0 3 -5,-2.3 -64,-0.2 1,-0.1 -1,-0.2 -0.454 21.4-178.7 -75.2 144.8 45.4 102.2 41.0 76 76 A K + 0 0 65 -66,-2.9 66,-2.8 1,-0.1 2,-0.3 0.338 60.9 47.3-125.8 2.1 44.7 105.0 38.4 77 77 A I E -cd 11 142B 0 -67,-0.8 -65,-1.3 64,-0.3 2,-0.3 -0.995 53.4-177.2-146.8 146.8 41.0 104.4 37.5 78 78 A A E -cd 12 143B 0 64,-2.3 66,-2.8 -2,-0.3 2,-0.4 -0.995 8.7-163.1-142.5 143.3 37.7 103.8 39.2 79 79 A R E +cd 13 144B 0 -67,-1.9 -65,-1.9 -2,-0.3 2,-0.3 -0.996 25.5 149.4-128.2 127.0 34.2 103.1 38.1 80 80 A L E - d 0 145B 6 64,-1.5 66,-3.0 -2,-0.4 2,-0.3 -0.857 31.4-129.0-140.6 170.8 31.2 103.5 40.5 81 81 A N E - d 0 146B 2 -2,-0.3 2,-0.3 64,-0.2 66,-0.2 -0.913 12.0-126.2-123.3 156.5 27.6 104.5 40.2 82 82 A V - 0 0 1 64,-1.2 2,-0.8 -2,-0.3 67,-0.2 -0.757 32.6-120.6 -84.8 143.9 25.3 106.9 41.9 83 83 A E >> - 0 0 3 -2,-0.3 3,-1.7 1,-0.2 4,-1.2 -0.847 13.3-151.5 -89.6 111.2 22.1 105.3 43.3 84 84 A W H >> S+ 0 0 6 -2,-0.8 4,-2.7 63,-0.3 3,-0.7 0.886 95.3 60.1 -38.4 -53.4 19.0 106.9 41.7 85 85 A S H 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 69,-0.1 0.724 100.8 53.9 -52.5 -33.1 17.0 106.2 44.8 86 86 A R H <4 S+ 0 0 21 -3,-1.7 39,-0.3 1,-0.1 -1,-0.3 0.857 114.2 39.6 -71.7 -39.7 19.3 108.3 47.0 87 87 A I H << S+ 0 0 0 -4,-1.2 35,-2.8 -3,-0.7 -2,-0.2 0.850 132.4 24.5 -80.1 -37.8 19.0 111.4 44.8 88 88 A F < + 0 0 2 -4,-2.7 -1,-0.2 33,-0.2 -2,-0.1 -0.659 66.1 154.2-128.9 74.9 15.2 111.0 44.1 89 89 A P + 0 0 25 0, 0.0 66,-0.2 0, 0.0 65,-0.1 0.709 63.2 63.8 -74.2 -19.4 13.7 109.0 47.0 90 90 A N S S- 0 0 105 30,-0.3 30,-0.0 -3,-0.1 -60,-0.0 -0.780 97.4 -90.8-108.3 148.2 10.2 110.5 46.4 91 91 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.208 36.8-134.6 -57.0 142.0 8.0 110.2 43.3 92 92 A L - 0 0 12 -4,-0.1 25,-0.0 1,-0.1 89,-0.0 -0.691 34.0 -90.8 -94.2 151.1 8.3 112.9 40.6 93 93 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.376 49.9 -99.3 -62.9 138.5 5.2 114.5 39.1 94 94 A R 0 0 61 1,-0.1 83,-0.0 -3,-0.0 0, 0.0 -0.394 360.0 360.0 -56.5 135.2 3.9 112.7 36.0 95 95 A P 0 0 72 0, 0.0 -1,-0.1 0, 0.0 85,-0.0 -0.299 360.0 360.0 -75.4 360.0 5.1 114.5 32.9 96 ! 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 97 98 A F 0 0 104 0, 0.0 2,-0.7 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 118.6 3.9 111.9 27.6 98 99 A D > - 0 0 96 1,-0.1 3,-1.4 78,-0.0 78,-0.0 -0.852 360.0-163.0-103.2 111.4 1.7 109.0 26.6 99 100 A E T 3 S+ 0 0 112 -2,-0.7 77,-0.4 1,-0.3 -1,-0.1 0.659 86.3 62.4 -69.1 -18.4 2.4 105.8 28.6 100 101 A S T 3 S+ 0 0 105 76,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.614 78.4 105.7 -83.6 -13.6 0.7 103.4 26.1 101 102 A K < - 0 0 62 -3,-1.4 75,-0.1 1,-0.1 0, 0.0 -0.542 62.9-150.7 -68.1 127.5 3.1 104.4 23.3 102 103 A Q S S+ 0 0 131 -2,-0.3 2,-0.3 74,-0.0 -1,-0.1 0.901 74.8 58.0 -65.5 -47.5 5.6 101.5 22.7 103 104 A D - 0 0 50 137,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.647 57.9-163.2 -95.2 143.0 8.6 103.7 21.6 104 105 A V + 0 0 8 -2,-0.3 140,-0.1 1,-0.1 3,-0.1 -0.911 23.0 162.0-120.5 97.1 10.3 106.5 23.4 105 106 A T + 0 0 77 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.656 62.8 20.8 -92.0 -20.9 12.2 108.3 20.6 106 107 A E - 0 0 167 2,-0.0 2,-0.4 141,-0.0 -1,-0.2 -0.994 50.1-169.2-151.5 139.4 12.8 111.6 22.3 107 108 A V - 0 0 21 -2,-0.3 2,-0.5 137,-0.1 -3,-0.0 -0.944 27.7-137.6-129.1 111.1 13.0 112.9 25.9 108 109 A E + 0 0 49 -2,-0.4 2,-0.4 5,-0.0 -2,-0.0 -0.546 28.1 176.1 -74.3 120.5 13.2 116.7 25.9 109 110 A I + 0 0 29 -2,-0.5 2,-0.3 4,-0.0 -2,-0.0 -0.991 6.3 155.5-124.1 129.7 15.7 118.0 28.4 110 111 A N > - 0 0 80 -2,-0.4 4,-2.3 1,-0.1 3,-0.4 -0.953 55.4 -89.4-145.3 174.8 16.6 121.6 29.0 111 112 A E H > S+ 0 0 115 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.822 123.2 48.6 -50.3 -44.3 18.0 124.0 31.6 112 113 A N H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 110.6 50.8 -64.7 -42.6 14.6 124.9 33.0 113 114 A E H > S+ 0 0 47 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.895 110.7 50.0 -61.8 -39.6 13.5 121.2 33.3 114 115 A L H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.846 108.2 51.7 -69.0 -36.9 16.8 120.4 35.1 115 116 A K H X S+ 0 0 104 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.855 109.7 51.2 -66.1 -33.2 16.3 123.3 37.6 116 117 A R H >< S+ 0 0 137 -4,-1.8 3,-1.0 2,-0.2 4,-0.4 0.893 109.8 48.3 -68.6 -40.8 12.8 121.9 38.2 117 118 A L H >X S+ 0 0 4 -4,-1.9 3,-2.0 1,-0.3 4,-0.9 0.888 100.1 68.9 -64.7 -38.4 14.2 118.4 38.9 118 119 A D H 3< S+ 0 0 37 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.777 91.8 59.9 -47.7 -29.9 16.7 120.1 41.1 119 120 A E T << S+ 0 0 70 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.654 106.0 45.4 -82.8 -15.6 13.9 120.9 43.6 120 121 A Y T <4 S+ 0 0 109 -3,-2.0 -30,-0.3 -4,-0.4 -1,-0.2 0.554 92.1 106.9 -94.9 -11.4 13.0 117.3 44.1 121 122 A A S < S- 0 0 10 -4,-0.9 2,-0.8 -3,-0.4 -33,-0.2 -0.388 76.6-116.5 -76.1 142.7 16.6 116.1 44.6 122 123 A N > - 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0 0 19 463,-2.5 404,-0.0 -2,-0.3 -2,-0.0 -0.693 36.2 -79.4-103.3 159.0 30.5 29.6 32.0 491 5 B P > - 0 0 56 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.115 43.0-113.6 -47.5 151.9 31.3 26.0 31.0 492 6 B N T 3 S+ 0 0 179 1,-0.2 -2,-0.0 -3,-0.1 461,-0.0 0.724 117.2 52.1 -63.0 -23.7 29.6 23.3 33.1 493 7 B S T 3 S+ 0 0 93 2,-0.1 -1,-0.2 412,-0.0 2,-0.1 0.550 84.3 110.3 -90.3 -9.7 33.0 22.2 34.4 494 8 B F < - 0 0 19 -3,-1.2 2,-0.4 459,-0.1 411,-0.2 -0.416 54.4-153.6 -72.1 135.9 34.1 25.7 35.5 495 9 B R E -s 905 0J 79 409,-1.9 411,-2.1 -2,-0.1 2,-0.5 -0.910 9.5-154.2-117.6 141.0 34.4 26.3 39.2 496 10 B F E +s 906 0J 7 -2,-0.4 66,-2.8 64,-0.3 67,-0.7 -0.926 40.0 119.8-103.5 134.7 34.1 29.5 41.3 497 11 B G E -st 907 563J 0 409,-2.9 411,-2.5 -2,-0.5 2,-0.3 -0.638 47.8 -91.0-157.9-142.3 35.8 29.6 44.7 498 12 B W E -st 908 564J 0 65,-1.3 67,-1.9 409,-0.4 2,-0.3 -0.964 15.1-136.0-151.7 159.6 38.5 31.3 46.7 499 13 B S E + t 0 565J 0 409,-2.0 412,-0.5 -2,-0.3 411,-0.4 -0.913 23.6 172.2-121.0 153.1 42.1 31.4 47.7 500 14 B Q - 0 0 2 65,-1.8 2,-0.3 -2,-0.3 67,-0.1 -0.963 21.4-134.6-156.8 155.0 43.6 31.8 51.1 501 15 B A > - 0 0 2 -2,-0.3 4,-1.6 65,-0.2 5,-0.3 -0.905 16.1-129.7-121.2 151.7 47.1 31.5 52.8 502 16 B G H > S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.952 105.7 44.7 -65.5 -51.8 48.1 29.8 56.0 503 17 B F H 4 S+ 0 0 3 1,-0.2 4,-0.3 132,-0.2 -1,-0.2 0.825 115.4 49.5 -63.1 -33.2 50.0 32.7 57.6 504 18 B Q H 4 S+ 0 0 3 1,-0.1 411,-2.2 410,-0.1 -1,-0.2 0.829 128.1 15.6 -79.4 -30.7 47.4 35.2 56.7 505 19 B S H < S+ 0 0 0 -4,-1.6 40,-3.1 -3,-0.2 41,-0.3 0.694 105.0 75.6-117.4 -23.5 44.3 33.4 58.0 506 20 B E S < S+ 0 0 3 -4,-2.7 40,-2.2 -5,-0.3 41,-0.5 0.931 81.0 72.3 -64.3 -49.1 45.2 30.5 60.3 507 21 B M + 0 0 2 -5,-0.4 37,-2.5 -4,-0.3 38,-0.3 -0.230 58.4 79.2 -75.9 157.1 46.1 32.3 63.6 508 22 B G S S+ 0 0 16 1,-0.6 -1,-0.2 35,-0.2 32,-0.1 0.071 71.7 88.9 137.8 -22.7 43.7 34.0 65.9 509 23 B T S > S- 0 0 21 -3,-0.4 3,-2.1 1,-0.1 -1,-0.6 -0.769 92.6 -83.8 -99.2 153.1 42.1 31.1 67.9 510 24 B P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.239 115.8 16.1 -54.9 131.8 43.7 29.8 71.2 511 25 B G T 3 S+ 0 0 76 1,-0.0 -4,-0.0 -3,-0.0 0, 0.0 0.483 96.8 102.6 86.5 3.7 46.4 27.2 70.4 512 26 B S < + 0 0 4 -3,-2.1 -5,-0.0 28,-0.1 34,-0.0 0.486 45.5 129.1 -96.3 -6.1 46.8 28.2 66.7 513 27 B E - 0 0 101 -4,-0.2 3,-0.0 1,-0.1 27,-0.0 -0.227 35.5-172.4 -59.4 132.4 50.1 30.3 67.1 514 28 B D + 0 0 7 1,-0.1 3,-0.3 -11,-0.1 6,-0.1 -0.844 13.2 166.4-124.1 92.8 52.9 29.4 64.8 515 29 B P + 0 0 42 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.414 53.0 91.1 -83.6 4.1 55.9 31.4 66.0 516 30 B N + 0 0 64 4,-0.1 124,-2.3 5,-0.0 2,-0.3 -0.044 63.0 91.9-102.9 31.2 58.4 29.5 63.9 517 31 B T B > S-B 639 0K 0 -3,-0.3 4,-2.2 122,-0.3 5,-0.2 -0.874 76.4-121.0-117.6 161.0 58.7 31.3 60.6 518 32 B D H > S+ 0 0 5 120,-2.4 4,-2.9 -2,-0.3 5,-0.1 0.923 116.6 52.8 -54.6 -43.3 60.9 34.0 59.2 519 33 B W H > S+ 0 0 5 119,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 106.5 51.1 -66.6 -41.5 57.7 36.1 58.6 520 34 B Y H > S+ 0 0 26 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.963 114.2 43.3 -57.8 -50.7 56.6 35.7 62.2 521 35 B K H X S+ 0 0 71 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.932 112.4 55.9 -61.1 -42.3 59.9 36.9 63.5 522 36 B W H >< S+ 0 0 2 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.911 108.4 44.6 -58.3 -46.0 60.0 39.7 60.9 523 37 B V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 13,-0.2 0.696 114.8 49.1 -79.5 -15.3 56.7 41.2 61.9 524 38 B H H 3< S+ 0 0 52 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.487 81.6 122.0 -93.0 -6.1 57.5 41.1 65.7 525 39 B D S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.864 98.5 48.7 -56.1 -42.6 61.3 45.9 67.3 527 41 B E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.904 110.9 49.9 -66.2 -42.5 63.5 47.6 64.8 528 42 B N H >>S+ 0 0 1 2,-0.2 5,-2.0 1,-0.2 6,-1.1 0.907 113.1 47.7 -59.8 -41.9 61.2 46.8 61.8 529 43 B M H ><5S+ 0 0 78 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.923 111.5 49.0 -65.4 -44.9 58.3 48.1 63.8 530 44 B A H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.846 111.8 49.5 -65.3 -35.9 60.1 51.3 64.8 531 45 B A H 3<5S- 0 0 72 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.596 111.4-123.3 -72.0 -15.9 61.2 51.9 61.1 532 46 B G T <<5S+ 0 0 57 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.642 74.6 129.7 74.9 16.5 57.5 51.3 60.0 533 47 B L S - 0 0 42 -2,-0.2 3,-1.9 -3,-0.1 -18,-0.1 -0.935 11.9-135.5-123.5 136.9 50.5 40.7 64.6 539 53 B P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 376,-0.1 0.735 98.8 71.8 -63.3 -27.4 49.2 37.6 62.8 540 54 B E G 3 S+ 0 0 41 1,-0.3 -32,-0.2 -32,-0.1 -28,-0.1 0.584 92.9 59.5 -69.0 -7.9 48.3 35.7 66.1 541 55 B N G < S+ 0 0 91 -3,-1.9 -1,-0.3 -34,-0.1 -33,-0.1 0.088 91.1 124.7 -99.1 27.1 45.4 38.2 66.4 542 56 B G S < S- 0 0 0 -3,-1.7 -37,-0.1 -33,-0.1 372,-0.1 0.235 80.6 -74.7 -82.7-165.3 44.1 37.0 63.0 543 57 B P - 0 0 1 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.584 60.9-127.2 -76.3 -8.7 40.8 35.6 61.6 544 58 B G > + 0 0 0 -37,-2.5 4,-2.7 -39,-0.2 3,-0.4 0.835 48.7 157.8 73.7 38.8 41.3 32.2 63.2 545 59 B Y H > S+ 0 0 2 -40,-3.1 4,-1.4 -38,-0.3 -39,-0.2 0.837 70.4 67.3 -62.3 -31.0 40.9 29.7 60.4 546 60 B W H 4 S+ 0 0 26 -40,-2.2 -1,-0.2 -41,-0.3 -39,-0.1 0.935 118.6 21.2 -54.7 -49.2 42.9 27.1 62.4 547 61 B G H 4 S+ 0 0 39 -41,-0.5 3,-0.3 -3,-0.4 -2,-0.2 0.742 131.1 43.6 -88.3 -27.5 40.1 26.9 64.9 548 62 B N H >X + 0 0 52 -4,-2.7 4,-1.6 -42,-0.2 3,-1.2 0.241 68.5 121.9-109.1 14.8 37.1 28.2 62.9 549 63 B Y H 3X S+ 0 0 26 -4,-1.4 4,-2.6 1,-0.3 -1,-0.2 0.744 70.9 60.8 -49.1 -34.2 37.6 26.4 59.6 550 64 B K H 3> S+ 0 0 120 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.898 106.1 46.7 -63.0 -43.0 34.1 24.8 59.8 551 65 B T H <> S+ 0 0 67 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.860 111.4 51.4 -63.0 -42.4 32.4 28.2 59.9 552 66 B F H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.944 113.8 44.9 -57.6 -48.6 34.6 29.4 56.9 553 67 B H H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.848 107.8 57.5 -68.8 -34.9 33.6 26.3 55.0 554 68 B D H X S+ 0 0 72 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.0 44.2 -58.6 -43.2 29.9 26.7 56.0 555 69 B N H X S+ 0 0 24 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.880 111.1 52.0 -72.6 -40.3 29.9 30.2 54.5 556 70 B A H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 -1,-0.2 0.879 111.4 48.0 -61.0 -39.3 31.7 29.1 51.4 557 71 B Q H ><5S+ 0 0 95 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.914 110.2 51.4 -68.9 -43.7 29.1 26.3 50.9 558 72 B K H 3<5S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.9 56.1 -56.0 -33.1 26.2 28.7 51.4 559 73 B M T 3<5S- 0 0 0 -4,-1.7 392,-0.3 -5,-0.1 -1,-0.3 0.459 116.3-116.8 -82.7 -4.9 27.9 31.0 48.8 560 74 B G T < 5 + 0 0 19 -3,-1.5 -64,-0.3 1,-0.2 -3,-0.2 0.643 56.1 161.6 80.5 16.3 27.9 28.1 46.2 561 75 B L < - 0 0 6 -5,-2.1 -64,-0.2 1,-0.1 -1,-0.2 -0.376 20.6-179.2 -72.7 148.5 31.6 27.9 45.9 562 76 B K + 0 0 52 -66,-2.8 66,-2.6 1,-0.2 2,-0.3 0.274 60.5 50.8-134.0 6.1 33.0 24.7 44.4 563 77 B I E -tu 497 628J 0 -67,-0.7 -65,-1.3 64,-0.3 2,-0.3 -0.995 54.1-177.5-148.4 144.3 36.8 25.2 44.5 564 78 B A E -tu 498 629J 0 64,-2.3 66,-2.8 -2,-0.3 2,-0.4 -0.997 10.6-161.0-142.3 142.6 39.4 26.2 47.2 565 79 B R E +tu 499 630J 0 -67,-1.9 -65,-1.8 -2,-0.3 2,-0.3 -0.996 26.4 154.0-126.6 129.9 43.1 26.8 47.1 566 80 B L E - u 0 631J 5 64,-1.7 66,-2.7 -2,-0.4 2,-0.3 -0.891 28.5-133.5-145.7 158.9 44.9 26.8 50.4 567 81 B N E - u 0 632J 1 -2,-0.3 2,-0.4 64,-0.2 66,-0.2 -0.896 11.2-128.4-119.5 159.3 48.5 26.0 51.6 568 82 B V - 0 0 0 64,-1.2 2,-0.8 -2,-0.3 67,-0.2 -0.810 31.7-121.8 -89.9 142.2 50.1 24.0 54.4 569 83 B E >> - 0 0 2 -2,-0.4 3,-1.5 1,-0.2 4,-1.1 -0.845 12.8-150.3 -88.9 109.5 52.6 26.0 56.4 570 84 B W H >> S+ 0 0 4 -2,-0.8 4,-2.8 63,-0.3 3,-0.8 0.879 95.3 59.3 -34.2 -53.7 56.0 24.2 56.1 571 85 B S H 34 S+ 0 0 0 1,-0.3 -1,-0.3 66,-0.2 67,-0.1 0.748 100.6 53.8 -55.5 -33.9 56.9 25.6 59.6 572 86 B R H <4 S+ 0 0 22 -3,-1.5 39,-0.3 1,-0.1 -1,-0.3 0.824 114.4 41.0 -73.0 -32.8 53.9 23.9 61.3 573 87 B I H << S+ 0 0 0 -4,-1.1 35,-2.9 -3,-0.8 -2,-0.2 0.886 131.6 23.9 -80.7 -45.2 54.9 20.5 59.9 574 88 B F < + 0 0 2 -4,-2.8 -1,-0.2 33,-0.2 -2,-0.1 -0.652 66.3 156.8-121.6 74.1 58.7 20.8 60.5 575 89 B P + 0 0 31 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 0.718 67.0 54.2 -68.8 -20.1 59.2 23.4 63.3 576 90 B N S S- 0 0 117 30,-0.3 30,-0.0 -3,-0.1 -60,-0.0 -0.782 99.5 -87.4-115.5 157.8 62.7 21.9 64.1 577 91 B P - 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0 0 38 137,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.695 58.6-162.3 -98.0 143.9 72.7 23.9 40.4 590 105 B V + 0 0 12 -2,-0.3 140,-0.1 1,-0.1 3,-0.1 -0.926 22.5 162.8-118.2 99.1 70.3 21.4 42.0 591 106 B T + 0 0 81 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.685 63.6 18.4 -93.3 -22.8 69.4 19.1 39.2 592 107 B E - 0 0 141 2,-0.0 2,-0.4 141,-0.0 -1,-0.2 -0.996 49.2-170.5-149.9 144.3 68.1 16.1 41.2 593 108 B V - 0 0 19 -2,-0.3 2,-0.4 137,-0.1 -3,-0.0 -0.929 26.7-141.7-132.7 108.1 66.8 15.5 44.7 594 109 B E + 0 0 124 -2,-0.4 2,-0.4 5,-0.0 -2,-0.0 -0.568 25.1 175.0 -75.5 125.2 66.4 11.8 45.3 595 110 B I + 0 0 23 -2,-0.4 2,-0.3 4,-0.0 -2,-0.1 -0.999 2.4 167.6-130.2 133.0 63.4 10.9 47.3 596 111 B N > - 0 0 65 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.889 50.8 -93.8-136.3 171.5 62.2 7.4 48.0 597 112 B E H > S+ 0 0 115 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.858 123.6 50.8 -54.4 -41.2 59.7 5.7 50.3 598 113 B N H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 109.9 49.7 -65.3 -45.5 62.4 5.0 53.0 599 114 B E H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 110.8 50.9 -53.6 -46.6 63.5 8.7 53.0 600 115 B L H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.854 107.8 52.1 -62.7 -38.4 59.8 9.7 53.3 601 116 B K H X S+ 0 0 91 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.859 109.8 49.4 -67.9 -35.8 59.4 7.4 56.3 602 117 B R H >X S+ 0 0 116 -4,-1.9 3,-1.1 2,-0.2 4,-0.5 0.909 109.5 51.2 -64.8 -45.9 62.4 9.0 57.9 603 118 B L H >X S+ 0 0 4 -4,-2.4 3,-1.9 1,-0.3 4,-0.7 0.905 100.9 64.5 -57.7 -40.9 61.1 12.5 57.3 604 119 B D H 3< S+ 0 0 38 -4,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.776 91.9 62.9 -55.2 -28.5 57.8 11.3 58.9 605 120 B E H << S+ 0 0 113 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.753 106.6 44.6 -67.4 -24.3 59.7 10.8 62.2 606 121 B Y H << S+ 0 0 114 -3,-1.9 -30,-0.3 -4,-0.5 -1,-0.2 0.554 91.0 105.7 -95.9 -9.4 60.4 14.6 62.4 607 122 B A S < S- 0 0 5 -4,-0.7 2,-0.6 -3,-0.5 -33,-0.2 -0.435 78.0-112.1 -80.6 143.3 57.0 15.9 61.4 608 123 B N > - 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