==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-FEB-09 3G7S . COMPND 2 MOLECULE: LONG-CHAIN-FATTY-ACID--COA LIGASE (FADD-1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; . AUTHOR K.PALANI,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 993 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41511.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 51 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 2 0 0 6 2 2 6 0 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 11 3 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 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 3 2 0 2 1 0 1 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 2 A E 0 0 212 0, 0.0 2,-0.2 0, 0.0 426,-0.1 0.000 360.0 360.0 360.0 92.3 1.9 14.3 5.9 2 3 A L - 0 0 37 424,-0.1 424,-0.2 1,-0.1 3,-0.1 -0.646 360.0-143.4-106.1 163.0 -0.3 14.9 9.0 3 4 A K S S+ 0 0 112 422,-2.7 2,-0.3 1,-0.3 423,-0.2 0.308 93.7 32.9-105.0 6.2 -3.9 15.9 9.3 4 5 A Y S S- 0 0 30 421,-0.6 2,-0.5 2,-0.1 -1,-0.3 -0.932 74.1-149.1-159.1 135.9 -3.2 18.1 12.3 5 6 A K + 0 0 32 -2,-0.3 2,-0.3 789,-0.3 422,-0.1 -0.956 32.8 134.4-118.9 123.1 -0.0 20.2 13.0 6 7 A I + 0 0 17 -2,-0.5 2,-0.3 420,-0.2 709,-0.1 -0.967 8.6 140.0-165.0 148.6 1.3 20.9 16.5 7 8 A G - 0 0 7 707,-0.4 352,-0.1 -2,-0.3 353,-0.1 -0.936 48.3 -75.9-169.7-176.7 4.5 21.0 18.6 8 9 A F - 0 0 14 350,-0.7 353,-0.5 -2,-0.3 709,-0.3 -0.826 50.8-102.3-103.6 139.5 6.4 22.9 21.2 9 10 A P - 0 0 3 0, 0.0 351,-0.1 0, 0.0 707,-0.1 -0.265 33.2-107.9 -63.5 138.0 8.3 26.2 20.5 10 11 A S - 0 0 16 732,-0.2 2,-0.2 350,-0.1 701,-0.1 -0.347 44.0-163.4 -60.2 137.4 12.0 26.4 20.1 11 12 A L - 0 0 19 731,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.645 21.8-105.1-121.0 177.1 13.6 28.1 23.2 12 13 A Y - 0 0 85 502,-0.3 502,-0.3 -2,-0.2 195,-0.0 -0.925 29.4-155.6-106.6 128.1 16.9 29.7 24.2 13 14 A Y - 0 0 22 -2,-0.5 2,-0.1 194,-0.0 191,-0.1 -0.900 10.0-141.0-108.0 116.9 19.1 27.6 26.5 14 15 A P - 0 0 2 0, 0.0 2,-1.1 0, 0.0 189,-0.1 -0.429 11.7-131.1 -73.7 147.3 21.6 29.5 28.7 15 16 A K + 0 0 103 -2,-0.1 2,-0.3 188,-0.0 161,-0.1 -0.790 59.9 126.3-101.0 89.8 25.0 28.1 29.3 16 17 A I - 0 0 29 -2,-1.1 2,-0.4 159,-0.1 187,-0.1 -0.844 67.5 -86.7-137.9 172.7 25.2 28.3 33.0 17 18 A S >> - 0 0 4 -2,-0.3 3,-3.1 1,-0.1 4,-0.5 -0.686 37.9-125.7 -81.6 133.1 25.9 26.3 36.2 18 19 A L T >4 S+ 0 0 3 -2,-0.4 3,-1.1 1,-0.3 4,-0.4 0.812 112.9 64.3 -48.8 -28.3 22.7 24.7 37.4 19 20 A A T >> S+ 0 0 0 76,-0.3 4,-1.1 1,-0.2 3,-0.8 0.736 85.0 71.6 -68.8 -23.1 23.6 26.4 40.6 20 21 A D H <> S+ 0 0 58 -3,-3.1 4,-2.6 1,-0.3 -1,-0.2 0.742 88.7 62.3 -66.0 -23.7 23.1 29.8 39.0 21 22 A R H S+ 0 0 2 -3,-0.8 4,-1.6 -4,-0.4 -2,-0.2 0.938 110.2 42.3 -62.3 -46.3 19.4 29.1 42.7 23 24 A D H X S+ 0 0 48 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.966 117.6 46.4 -63.1 -52.0 20.9 32.6 42.7 24 25 A A H X S+ 0 0 40 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.894 109.0 54.6 -57.7 -45.2 18.5 33.8 40.0 25 26 A A H X>S+ 0 0 1 -4,-3.5 4,-2.6 1,-0.2 5,-0.7 0.890 104.8 54.8 -58.2 -39.1 15.5 32.3 41.6 26 27 A A H X5S+ 0 0 8 -4,-1.6 4,-1.6 26,-0.2 -1,-0.2 0.933 112.3 43.8 -60.2 -45.0 16.2 34.2 44.8 27 28 A E H <5S+ 0 0 168 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.917 118.7 41.5 -67.1 -45.3 16.3 37.4 42.8 28 29 A K H <5S+ 0 0 77 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.946 131.8 20.1 -68.6 -50.5 13.1 36.8 40.8 29 30 A F H ><5S+ 0 0 34 -4,-2.6 3,-1.9 -5,-0.2 -3,-0.2 0.621 81.7 170.8 -99.2 -15.9 10.9 35.2 43.4 30 31 A G T 3<< + 0 0 2 -4,-1.6 23,-1.4 -5,-0.7 22,-0.6 -0.140 69.7 10.5 48.8-116.3 12.5 36.4 46.7 31 32 A E T 3 S+ 0 0 135 21,-0.2 -1,-0.3 20,-0.2 2,-0.1 0.380 93.0 126.2 -78.7 3.6 10.4 35.7 49.8 32 33 A K S < S- 0 0 64 -3,-1.9 20,-1.5 -6,-0.1 2,-0.3 -0.384 73.8-104.7 -63.0 137.8 7.9 33.4 47.9 33 34 A T E +A 51 0A 51 18,-0.2 18,-0.3 1,-0.2 -1,-0.1 -0.515 43.1 176.7 -66.1 126.7 7.6 30.0 49.6 34 35 A A E + 0 0 0 16,-2.6 212,-2.5 1,-0.3 2,-0.4 0.817 57.8 16.5-100.5 -42.6 9.6 27.6 47.4 35 36 A I E -Ab 50 246A 0 15,-1.8 15,-1.9 210,-0.2 2,-0.4 -0.987 55.3-169.6-141.1 147.4 9.4 24.2 49.2 36 37 A I E -Ab 49 247A 19 210,-2.3 212,-3.6 -2,-0.4 2,-0.7 -0.999 19.9-136.7-137.9 132.7 7.4 22.6 52.0 37 38 A S E + b 0 248A 16 11,-3.7 2,-0.2 -2,-0.4 212,-0.1 -0.810 32.5 178.8 -91.0 112.5 7.9 19.4 53.8 38 39 A A E - b 0 249A 0 210,-2.5 212,-0.6 -2,-0.7 218,-0.0 -0.622 30.4 -38.5-107.8 170.5 4.6 17.5 54.2 39 40 A E S S+ 0 0 124 -2,-0.2 -1,-0.1 210,-0.1 221,-0.1 -0.406 111.1 48.1 -74.0 150.0 3.7 14.2 55.7 40 41 A P S S+ 0 0 24 0, 0.0 210,-2.8 0, 0.0 2,-0.4 0.478 85.1 172.9 -80.7 138.6 4.9 11.6 55.8 41 42 A K - 0 0 93 208,-0.2 -2,-0.1 209,-0.1 43,-0.1 -0.907 23.1-148.2-120.4 145.2 8.2 13.2 56.8 42 43 A F - 0 0 56 -2,-0.4 208,-0.0 41,-0.3 0, 0.0 -0.630 48.3 -68.4-100.8 159.6 11.5 11.9 58.0 43 44 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.177 61.8-172.4 -49.1 134.9 14.0 13.7 60.4 44 45 A S - 0 0 51 2,-0.1 4,-0.1 -3,-0.1 -3,-0.0 -0.892 36.7-145.9-132.4 159.5 15.4 16.8 58.8 45 46 A E S S+ 0 0 46 -2,-0.3 -1,-0.0 2,-0.1 106,-0.0 0.076 83.6 68.4-109.7 21.3 18.1 19.4 59.5 46 47 A F S S- 0 0 24 1,-0.1 -2,-0.1 4,-0.0 40,-0.1 -0.909 90.4 -84.6-136.6 162.6 16.0 22.1 57.8 47 48 A P - 0 0 72 0, 0.0 38,-0.1 0, 0.0 -1,-0.1 -0.065 43.1-103.6 -61.9 167.2 12.7 24.0 58.5 48 49 A E S S+ 0 0 120 1,-0.2 -11,-3.7 -12,-0.1 2,-0.3 0.777 104.7 6.4 -62.5 -27.1 9.3 22.8 57.5 49 50 A S E -A 36 0A 49 -13,-0.3 2,-0.3 36,-0.0 -13,-0.2 -0.982 66.2-163.0-153.9 156.9 9.4 25.2 54.6 50 51 A X E -A 35 0A 3 -15,-1.9 -16,-2.6 -2,-0.3 -15,-1.8 -0.980 13.3-136.3-142.6 150.9 11.8 27.7 53.0 51 52 A N E > -A 33 0A 26 -2,-0.3 4,-2.0 -18,-0.3 -18,-0.2 -0.516 39.7 -97.1 -99.0 175.8 11.5 30.6 50.6 52 53 A F H > S+ 0 0 3 -20,-1.5 4,-1.9 -22,-0.6 -26,-0.2 0.841 122.4 55.2 -64.6 -31.3 13.8 31.2 47.6 53 54 A L H > S+ 0 0 75 -23,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.916 109.2 47.8 -64.9 -43.5 16.1 33.6 49.5 54 55 A E H > S+ 0 0 82 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.877 108.9 52.4 -64.9 -42.0 16.7 31.0 52.3 55 56 A I H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.927 109.2 51.9 -60.9 -42.9 17.5 28.2 49.8 56 57 A C H X S+ 0 0 6 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.956 115.6 39.7 -57.9 -52.4 20.0 30.5 48.2 57 58 A E H >X S+ 0 0 83 -4,-2.2 4,-1.8 1,-0.2 3,-0.8 0.908 114.6 49.2 -67.0 -46.7 21.7 31.3 51.5 58 59 A V H 3X S+ 0 0 26 -4,-3.1 4,-2.0 1,-0.3 5,-0.2 0.899 109.7 52.6 -62.4 -39.5 21.6 27.9 53.2 59 60 A T H 3X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.664 106.9 55.8 -70.8 -14.2 23.0 26.2 50.1 60 61 A K H S+ 0 0 9 -4,-3.4 5,-1.9 1,-0.2 -1,-0.2 0.758 113.7 52.2 -66.0 -22.7 31.4 20.7 52.3 67 68 A S H ><5S+ 0 0 30 -4,-1.3 3,-2.2 -5,-0.4 -2,-0.2 0.932 106.7 50.4 -75.8 -48.6 34.1 22.3 50.0 68 69 A R H 3<5S+ 0 0 163 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.724 106.5 59.1 -61.3 -22.1 36.3 23.3 53.0 69 70 A K T 3<5S- 0 0 57 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.474 132.5 -82.7 -87.8 -2.0 36.0 19.7 54.2 70 71 A G T < 5S+ 0 0 15 -3,-2.2 -3,-0.2 1,-0.4 -2,-0.1 0.139 80.0 136.4 130.0 -26.5 37.4 18.2 51.0 71 72 A V < - 0 0 0 -5,-1.9 -1,-0.4 1,-0.0 2,-0.3 -0.353 34.7-169.4 -59.7 131.7 34.8 18.0 48.3 72 73 A R > - 0 0 169 1,-0.1 3,-1.9 -2,-0.1 25,-0.1 -0.822 29.8 -76.0-123.9 162.3 36.2 19.1 45.0 73 74 A K T 3 S+ 0 0 110 -2,-0.3 26,-0.3 1,-0.3 25,-0.2 -0.213 115.8 17.0 -55.7 141.1 34.9 20.0 41.5 74 75 A G T 3 S+ 0 0 40 24,-2.5 -1,-0.3 1,-0.3 25,-0.2 0.258 89.7 147.2 80.2 -12.1 34.0 17.0 39.3 75 76 A E < - 0 0 24 -3,-1.9 25,-3.7 1,-0.1 2,-0.9 -0.306 51.3-127.9 -61.6 131.8 33.9 14.7 42.4 76 77 A H E -i 100 0B 28 45,-0.3 47,-1.5 23,-0.2 48,-0.9 -0.726 30.6-169.9 -82.7 109.7 31.4 11.9 42.3 77 78 A V E -ij 101 124B 0 23,-1.3 25,-2.8 -2,-0.9 48,-0.2 -0.900 16.7-136.3-106.1 120.9 29.5 12.2 45.5 78 79 A G E -ij 102 125B 0 46,-3.1 48,-2.2 -2,-0.6 2,-0.4 -0.499 20.2-164.9 -71.4 143.3 27.1 9.4 46.5 79 80 A V E +ij 103 126B 0 23,-1.9 25,-2.6 46,-0.2 2,-0.5 -0.922 17.1 167.4-136.7 108.8 23.8 10.8 47.8 80 81 A C E + j 0 127B 2 46,-3.0 48,-2.3 -2,-0.4 51,-0.1 -0.815 25.6 129.5-125.4 90.4 21.5 8.5 49.7 81 82 A I - 0 0 2 -2,-0.5 3,-0.1 46,-0.2 23,-0.1 -0.998 53.1-117.9-140.5 137.2 18.7 10.5 51.4 82 83 A P - 0 0 14 0, 0.0 5,-0.4 0, 0.0 169,-0.1 -0.289 59.3 -59.8 -72.0 163.4 15.0 9.9 51.3 83 84 A N S S+ 0 0 13 167,-0.5 -41,-0.3 166,-0.1 2,-0.3 -0.116 90.6 113.0 -41.6 131.4 12.6 12.5 49.8 84 85 A S S > S- 0 0 6 -3,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.931 82.6 -90.9 171.9 171.1 13.1 15.6 51.9 85 86 A I H > S+ 0 0 1 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.826 121.2 65.3 -71.4 -31.0 14.3 19.2 51.8 86 87 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 98.8 51.5 -58.2 -40.9 17.7 17.8 52.9 87 88 A Y H > S+ 0 0 3 -5,-0.4 4,-2.4 2,-0.2 5,-0.2 0.968 113.4 43.7 -62.0 -53.4 18.0 15.8 49.6 88 89 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.924 113.3 50.8 -58.2 -47.4 17.4 18.9 47.5 89 90 A X H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.860 110.4 51.4 -61.4 -34.7 19.6 21.1 49.6 90 91 A T H X S+ 0 0 5 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.953 110.2 46.0 -66.7 -52.8 22.4 18.6 49.3 91 92 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.898 114.7 50.3 -56.3 -43.0 22.2 18.3 45.5 92 93 A Y H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.889 110.6 46.6 -64.8 -43.5 22.1 22.1 45.3 93 94 A A H X S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 3,-0.2 0.918 112.3 52.0 -66.2 -41.8 25.1 22.7 47.5 94 95 A L H <>S+ 0 0 5 -4,-2.6 5,-2.9 1,-0.2 -1,-0.2 0.800 107.4 52.6 -65.0 -27.9 27.1 20.1 45.6 95 96 A W H ><5S+ 0 0 2 -4,-1.4 3,-0.6 3,-0.2 -76,-0.3 0.820 103.5 57.2 -76.6 -30.0 26.2 21.9 42.4 96 97 A R H 3<5S+ 0 0 0 -4,-1.5 75,-2.6 1,-0.3 -2,-0.2 0.869 110.7 42.9 -66.0 -37.1 27.5 25.2 43.7 97 98 A V T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 73,-0.2 -2,-0.2 0.441 116.7-120.8 -87.1 0.8 30.9 23.5 44.3 98 99 A A T < 5 + 0 0 4 -3,-0.6 -24,-2.5 -5,-0.2 -3,-0.2 0.744 60.5 151.1 66.3 26.7 30.5 21.9 40.9 99 100 A A < - 0 0 0 -5,-2.9 -23,-0.2 -26,-0.3 -1,-0.1 -0.133 48.1-117.2 -75.1-178.8 30.7 18.3 42.4 100 101 A T E -i 76 0B 4 -25,-3.7 -23,-1.3 -27,-0.0 81,-0.2 -0.774 24.9-150.3-130.7 90.4 28.9 15.5 40.6 101 102 A P E -i 77 0B 0 0, 0.0 81,-1.9 0, 0.0 -23,-0.2 -0.199 3.8-158.4 -58.1 144.0 26.1 13.8 42.7 102 103 A V E -i 78 0B 0 -25,-2.8 -23,-1.9 79,-0.2 79,-0.1 -0.877 19.1-139.6-127.2 93.1 25.3 10.1 42.2 103 104 A P E -i 79 0B 9 0, 0.0 2,-0.5 0, 0.0 81,-0.3 -0.287 17.7-157.0 -55.2 131.8 21.8 9.5 43.5 104 105 A I - 0 0 1 -25,-2.6 -23,-0.2 -23,-0.1 124,-0.1 -0.964 22.3-112.5-121.5 127.3 21.5 6.2 45.4 105 106 A N > - 0 0 37 -2,-0.5 3,-1.5 1,-0.2 -25,-0.0 -0.325 21.8-142.6 -53.8 123.3 18.3 4.2 45.9 106 107 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -26,-0.1 0.662 98.4 56.4 -63.5 -15.2 17.5 4.3 49.6 107 108 A X T 3 S+ 0 0 146 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.083 73.8 131.7-107.1 21.9 16.3 0.7 49.4 108 109 A Y < - 0 0 69 -3,-1.5 5,-0.1 1,-0.1 -4,-0.0 -0.541 62.3-114.9 -76.0 139.1 19.4 -0.9 48.0 109 110 A K >> - 0 0 133 -2,-0.2 4,-1.6 1,-0.1 3,-0.7 -0.364 38.6 -97.6 -67.5 156.8 20.6 -4.1 49.7 110 111 A S H 3> S+ 0 0 56 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.815 125.6 46.7 -46.0 -40.6 24.0 -3.7 51.4 111 112 A F H 3> S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.846 106.7 57.2 -74.3 -32.5 25.8 -5.3 48.5 112 113 A E H <> S+ 0 0 62 -3,-0.7 4,-1.0 1,-0.2 -1,-0.2 0.798 104.0 54.9 -66.5 -27.1 23.9 -3.2 45.9 113 114 A L H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.861 108.8 47.6 -71.9 -35.8 25.3 -0.2 47.7 114 115 A E H X S+ 0 0 48 -4,-1.1 4,-1.6 -5,-0.2 5,-0.3 0.897 106.6 56.3 -70.9 -42.5 28.8 -1.5 47.3 115 116 A H H X S+ 0 0 118 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.788 114.4 39.9 -61.4 -27.7 28.3 -2.3 43.7 116 117 A I H X S+ 0 0 10 -4,-1.0 4,-2.4 2,-0.2 6,-0.2 0.829 110.1 54.7 -92.4 -34.4 27.3 1.3 43.0 117 118 A L H <>S+ 0 0 0 -4,-2.0 5,-1.7 2,-0.2 26,-0.3 0.778 118.6 38.9 -68.3 -24.6 29.8 3.2 45.2 118 119 A N H ><5S+ 0 0 62 -4,-1.6 3,-0.9 3,-0.2 -2,-0.2 0.892 115.4 49.1 -88.6 -48.2 32.5 1.3 43.4 119 120 A D H 3<5S+ 0 0 42 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.2 0.872 117.5 42.2 -59.7 -38.5 31.1 1.4 39.9 120 121 A S T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.504 105.3-135.6 -85.6 -5.3 30.5 5.1 40.2 121 122 A E T < 5 - 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0 0 2 -2,-0.4 3,-0.2 23,-0.2 144,-0.1 -0.999 51.6-118.7-139.4 133.1 5.8 49.8 2.8 584 83 B P - 0 0 10 0, 0.0 5,-0.4 0, 0.0 167,-0.1 -0.249 61.9 -57.1 -68.4 162.9 2.6 47.8 2.6 585 84 B N S S+ 0 0 12 165,-0.5 -41,-0.4 164,-0.1 2,-0.3 -0.114 90.0 118.6 -40.0 119.2 2.4 44.2 3.8 586 85 B S S > S- 0 0 6 -3,-0.2 4,-1.2 -43,-0.1 3,-0.2 -0.976 79.7 -97.3-174.4 168.3 5.0 42.3 1.9 587 86 B I H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.822 120.0 64.3 -67.6 -27.4 8.2 40.3 2.1 588 87 B D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 96.7 53.5 -61.6 -44.8 10.0 43.6 1.2 589 88 B Y H > S+ 0 0 2 -5,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.929 112.5 44.6 -54.9 -50.0 8.8 45.2 4.5 590 89 B V H X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.895 111.5 51.8 -63.0 -44.0 10.3 42.4 6.5 591 90 B X H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.884 111.4 49.5 -62.6 -36.7 13.5 42.3 4.5 592 91 B T H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.973 111.7 45.3 -66.4 -55.2 14.0 46.0 5.1 593 92 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.915 115.1 49.2 -53.8 -47.5 13.4 46.0 8.8 594 93 B Y H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.889 110.5 49.5 -61.1 -42.1 15.7 42.9 9.2 595 94 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.928 110.3 51.4 -62.3 -45.5 18.5 44.6 7.1 596 95 B L H <>S+ 0 0 0 -4,-2.7 5,-3.3 1,-0.2 -2,-0.2 0.883 108.7 51.9 -60.1 -37.5 18.2 47.7 9.2 597 96 B W H ><5S+ 0 0 1 -4,-2.1 3,-0.9 3,-0.2 -76,-0.3 0.862 104.3 55.4 -68.4 -34.2 18.5 45.5 12.4 598 97 B R H 3<5S+ 0 0 0 -4,-1.9 75,-3.0 1,-0.3 -1,-0.2 0.884 111.7 44.8 -64.3 -35.2 21.7 43.9 11.0 599 98 B V T 3<5S- 0 0 3 -4,-1.8 -1,-0.3 73,-0.2 -2,-0.2 0.452 114.4-123.0 -84.3 -2.8 23.0 47.5 10.7 600 99 B A T < 5 + 0 0 4 -3,-0.9 -24,-3.2 -4,-0.2 -3,-0.2 0.873 61.8 148.5 61.6 34.8 21.7 48.2 14.1 601 100 B A < - 0 0 0 -5,-3.3 -1,-0.2 -26,-0.3 -23,-0.2 -0.463 49.6-119.1 -90.3 170.8 19.7 51.1 12.7 602 101 B T E -b 578 0I 4 -25,-3.5 -23,-2.1 -2,-0.2 81,-0.2 -0.818 24.6-155.0-119.2 94.0 16.3 52.1 14.2 603 102 B P E -b 579 0I 0 0, 0.0 81,-1.9 0, 0.0 -23,-0.2 -0.325 4.4-152.0 -68.2 149.7 13.3 51.9 11.9 604 103 B V E -b 580 0I 0 -25,-2.8 -23,-2.2 79,-0.2 2,-0.2 -0.943 20.3-136.9-120.0 100.8 10.2 54.0 12.4 605 104 B P E -b 581 0I 5 0, 0.0 2,-0.5 0, 0.0 81,-0.4 -0.437 20.3-160.3 -64.1 131.9 7.2 52.1 11.0 606 105 B I - 0 0 1 -25,-2.6 -23,-0.2 -2,-0.2 123,-0.1 -0.965 22.7-112.6-122.2 124.7 4.9 54.4 9.0 607 106 B N > - 0 0 32 -2,-0.5 3,-1.4 1,-0.2 -25,-0.0 -0.271 20.3-143.1 -51.4 123.2 1.3 53.7 8.2 608 107 B P T 3 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -26,-0.1 0.711 97.9 61.4 -62.7 -23.8 1.0 53.2 4.4 609 108 B X T 3 S+ 0 0 137 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.569 81.3 115.4 -81.3 -10.6 -2.4 54.9 4.4 610 109 B Y < - 0 0 42 -3,-1.4 2,-0.2 4,-0.1 380,-0.1 -0.192 50.7-155.5 -62.5 152.1 -0.9 58.2 5.7 611 110 B K > - 0 0 60 378,-0.2 4,-2.8 26,-0.0 5,-0.3 -0.675 39.4 -65.4-121.7 176.4 -0.9 61.2 3.5 612 111 B S H > S+ 0 0 7 376,-0.5 4,-2.6 1,-0.2 5,-0.2 0.763 128.4 43.8 -25.4 -65.2 1.2 64.4 3.2 613 112 B F H > S+ 0 0 11 376,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.959 117.9 43.8 -54.0 -57.7 0.3 66.0 6.6 614 113 B E H > S+ 0 0 10 375,-0.8 4,-2.1 -3,-0.2 5,-0.3 0.877 114.3 51.0 -57.4 -41.0 0.7 62.8 8.6 615 114 B L H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.929 108.8 49.5 -65.6 -46.9 3.9 61.8 6.8 616 115 B E H X S+ 0 0 28 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.937 114.2 46.5 -56.5 -49.3 5.7 65.1 7.3 617 116 B H H X S+ 0 0 82 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.818 112.4 45.3 -68.3 -35.4 4.8 65.1 11.0 618 117 B I H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 6,-0.2 0.902 115.5 50.5 -75.1 -34.7 5.8 61.6 12.0 619 118 B L H <>S+ 0 0 0 -4,-2.1 5,-2.1 -5,-0.3 4,-0.3 0.905 116.5 39.8 -65.7 -42.2 9.0 62.0 10.0 620 119 B N H <5S+ 0 0 62 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.900 114.6 51.4 -75.2 -42.0 9.9 65.3 11.7 621 120 B D H <5S+ 0 0 46 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.952 117.0 40.2 -59.8 -48.1 8.8 64.2 15.2 622 121 B S T <5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.541 104.6-134.7 -76.7 -7.5 10.9 61.0 14.9 623 122 B E T 5 - 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