==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 16-SEP-03 1ULT . COMPND 2 MOLECULE: LONG CHAIN FATTY ACID-COA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.HISANAGA,H.AGO,T.NAKATSU,K.HAMADA,K.IDA,H.KANDA, . 1047 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 11.7 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 . 11 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 78 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 3 2 0 4 8 2 4 4 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 5 11 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 PARALLEL BRIDGES PER LADDER . 13 5 2 3 7 0 0 0 1 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 . 2 4 0 0 0 4 2 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 8 A A 0 0 82 0, 0.0 624,-0.1 0, 0.0 598,-0.1 0.000 360.0 360.0 360.0-143.4 19.5 -9.2 71.3 2 9 A F - 0 0 19 622,-0.3 704,-2.8 704,-0.3 598,-0.1 -0.893 360.0-120.6-101.7 127.3 18.9 -9.6 67.6 3 10 A P B -A 705 0A 96 0, 0.0 2,-0.1 0, 0.0 702,-0.1 -0.400 22.5-140.0 -68.8 142.7 20.4 -6.7 65.5 4 11 A S - 0 0 30 700,-0.6 720,-0.2 2,-0.1 702,-0.1 -0.429 10.5-134.2 -93.7 175.1 18.0 -4.7 63.3 5 12 A T + 0 0 20 718,-2.5 918,-3.7 -2,-0.1 919,-0.6 0.274 61.6 129.7-110.3 7.6 18.8 -3.4 59.8 6 13 A M B -B 922 0B 16 717,-0.7 916,-0.2 916,-0.3 -2,-0.1 -0.360 66.5-105.3 -61.5 138.4 17.5 0.1 60.5 7 14 A M - 0 0 17 914,-2.5 2,-0.6 911,-0.3 914,-0.1 -0.304 32.4-103.3 -68.9 151.1 20.0 2.7 59.5 8 15 A D + 0 0 148 -3,-0.1 2,-0.3 915,-0.0 -1,-0.1 -0.650 60.8 150.0 -74.5 118.5 22.0 4.6 62.1 9 16 A E - 0 0 15 -2,-0.6 2,-0.3 910,-0.1 159,-0.1 -0.957 34.4-142.1-147.0 160.5 20.4 8.0 62.4 10 17 A E - 0 0 62 -2,-0.3 2,-0.2 157,-0.1 155,-0.0 -0.929 21.5-118.5-125.7 150.6 19.9 10.6 65.1 11 18 A L - 0 0 4 -2,-0.3 2,-0.3 907,-0.0 181,-0.2 -0.631 37.6-179.0 -82.7 148.3 16.9 12.9 65.7 12 19 A N > - 0 0 3 -2,-0.2 3,-1.7 179,-0.1 4,-0.4 -0.925 35.0-138.1-156.2 129.2 17.7 16.6 65.4 13 20 A L T >> S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 4,-0.8 0.841 100.8 68.4 -51.0 -39.6 15.7 19.8 65.9 14 21 A W H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.829 86.5 69.5 -53.0 -34.2 17.3 21.3 62.8 15 22 A D H <> S+ 0 0 23 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.813 91.9 59.4 -53.7 -35.6 15.4 18.8 60.6 16 23 A F H <> S+ 0 0 4 -3,-1.8 4,-2.3 -4,-0.4 -1,-0.2 0.932 108.7 42.5 -60.1 -48.0 12.1 20.5 61.5 17 24 A L H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.5 -2,-0.2 0.845 114.2 51.1 -69.0 -35.2 13.2 23.8 60.0 18 25 A E H X S+ 0 0 68 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.912 112.5 46.2 -68.2 -42.9 14.8 22.2 57.0 19 26 A R H X S+ 0 0 32 -4,-2.6 4,-3.0 -5,-0.2 5,-0.5 0.910 112.8 51.0 -64.4 -42.4 11.6 20.3 56.3 20 27 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 7,-0.2 0.907 108.4 51.4 -61.7 -43.7 9.6 23.4 56.8 21 28 A A H < S+ 0 0 22 -4,-2.4 4,-0.3 22,-0.2 -1,-0.2 0.847 116.5 40.7 -63.5 -34.7 11.7 25.4 54.4 22 29 A A H < S+ 0 0 47 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.888 130.1 23.0 -83.0 -40.3 11.3 22.7 51.7 23 30 A L H < S+ 0 0 14 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.731 137.2 24.5 -99.9 -25.9 7.6 21.8 52.1 24 31 A F S >< S+ 0 0 6 -4,-2.3 3,-1.6 -5,-0.5 19,-0.5 -0.134 73.6 142.5-132.4 38.1 6.1 24.9 53.8 25 32 A G T 3 S+ 0 0 16 -4,-0.3 19,-2.0 1,-0.3 20,-0.4 0.737 72.9 45.8 -52.8 -32.5 8.5 27.6 52.7 26 33 A R T 3 S+ 0 0 200 17,-0.1 -1,-0.3 16,-0.1 2,-0.1 0.505 79.8 117.0 -93.1 -5.0 5.9 30.3 52.2 27 34 A K < - 0 0 33 -3,-1.6 16,-1.6 -7,-0.2 17,-0.2 -0.439 69.2-114.3 -63.0 136.3 3.9 29.8 55.4 28 35 A E E -C 42 0C 66 14,-0.2 212,-2.1 -2,-0.1 2,-0.4 -0.356 23.2-162.3 -81.5 154.3 4.3 32.9 57.4 29 36 A V E -Cd 41 240C 0 12,-2.2 12,-1.9 210,-0.2 2,-0.4 -0.960 22.3-170.6-130.4 103.9 5.9 33.8 60.7 30 37 A V E -Cd 40 241C 0 210,-2.9 212,-3.4 -2,-0.4 2,-0.4 -0.845 3.0-173.1-102.4 138.2 4.4 37.1 61.9 31 38 A S E -Cd 39 242C 0 8,-3.0 8,-3.4 -2,-0.4 2,-0.7 -0.989 21.0-149.1-135.4 140.1 5.8 39.0 64.9 32 39 A R E -C 38 0C 9 210,-2.5 6,-0.2 -2,-0.4 214,-0.2 -0.931 27.1-146.9-106.7 114.1 4.8 42.0 66.9 33 40 A L > - 0 0 32 4,-2.5 3,-2.0 -2,-0.7 213,-0.2 -0.158 31.6 -95.0 -72.7 171.6 7.9 43.8 68.2 34 41 A H T 3 S+ 0 0 63 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.786 126.2 60.0 -59.2 -26.6 8.1 45.6 71.5 35 42 A T T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.648 118.9-112.4 -75.7 -14.7 7.4 48.9 69.6 36 43 A G S < S+ 0 0 21 -3,-2.0 -2,-0.1 1,-0.4 2,-0.1 0.338 73.4 134.3 99.8 -6.6 4.1 47.4 68.5 37 44 A E - 0 0 114 -5,-0.1 -4,-2.5 1,-0.1 2,-0.6 -0.452 53.8-126.2 -76.4 151.5 5.1 47.1 64.8 38 45 A V E -C 32 0C 61 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.885 21.0-164.1-106.4 119.5 4.3 43.9 62.9 39 46 A H E -C 31 0C 54 -8,-3.4 -8,-3.0 -2,-0.6 2,-0.4 -0.792 5.3-156.6-100.7 142.1 7.1 42.1 61.1 40 47 A R E +C 30 0C 107 -2,-0.4 2,-0.2 -10,-0.2 -10,-0.2 -0.970 24.7 140.9-124.7 131.3 6.4 39.4 58.5 41 48 A T E -C 29 0C 4 -12,-1.9 -12,-2.2 -2,-0.4 2,-0.3 -0.780 32.2-125.8-146.1-169.4 8.6 36.6 57.3 42 49 A T E > -C 28 0C 32 -14,-0.3 4,-2.9 -2,-0.2 5,-0.2 -0.917 30.9-102.0-142.7 167.6 8.4 32.9 56.3 43 50 A Y H > S+ 0 0 0 -16,-1.6 4,-2.6 -19,-0.5 -22,-0.2 0.892 120.0 56.2 -59.1 -39.7 10.0 29.5 57.1 44 51 A A H > S+ 0 0 42 -19,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.927 112.5 41.0 -58.1 -45.8 12.1 29.8 53.9 45 52 A E H > S+ 0 0 84 -20,-0.4 4,-3.2 2,-0.2 5,-0.3 0.908 113.4 52.8 -69.2 -43.5 13.6 33.1 55.1 46 53 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.869 109.8 50.7 -59.5 -37.3 13.9 32.0 58.7 47 54 A Y H X S+ 0 0 50 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.924 112.6 44.7 -66.4 -47.1 15.8 28.9 57.5 48 55 A Q H X S+ 0 0 61 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.929 116.4 45.9 -65.1 -44.2 18.2 31.0 55.4 49 56 A R H X S+ 0 0 24 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.840 109.8 55.0 -68.8 -31.3 18.7 33.6 58.1 50 57 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.852 104.6 53.3 -69.9 -34.4 19.2 30.8 60.7 51 58 A R H X S+ 0 0 37 -4,-1.7 4,-1.6 1,-0.2 110,-1.4 0.881 110.2 48.4 -66.3 -35.8 22.0 29.3 58.6 52 59 A R H X S+ 0 0 75 -4,-1.5 4,-2.5 108,-0.2 106,-2.5 0.791 106.7 56.7 -73.0 -27.8 23.6 32.8 58.6 53 60 A L H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.887 104.9 51.6 -71.0 -36.1 23.1 32.9 62.4 54 61 A M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 111.3 48.1 -64.9 -41.0 25.1 29.7 62.8 55 62 A G H X S+ 0 0 13 -4,-1.6 4,-2.4 104,-0.3 -2,-0.2 0.937 113.0 47.3 -63.7 -46.5 27.8 31.3 60.7 56 63 A G H X S+ 0 0 3 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.904 111.8 49.4 -62.3 -42.9 27.8 34.5 62.7 57 64 A L H <>S+ 0 0 3 -4,-2.8 5,-2.5 1,-0.2 3,-0.3 0.876 110.2 51.7 -64.7 -36.6 27.9 32.6 66.0 58 65 A R H ><5S+ 0 0 102 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.924 105.5 54.9 -64.5 -43.0 30.7 30.5 64.8 59 66 A A H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.7 54.8 -60.7 -24.7 32.6 33.7 63.9 60 67 A L T 3<5S- 0 0 30 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.264 128.0 -97.8 -92.2 9.4 32.1 34.8 67.5 61 68 A G T < 5S+ 0 0 43 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.506 71.5 148.3 91.2 4.0 33.7 31.6 68.8 62 69 A V < + 0 0 4 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.2 -0.595 21.5 171.7 -76.1 128.8 30.6 29.5 69.6 63 70 A G > - 0 0 26 -2,-0.4 3,-2.5 1,-0.1 25,-0.1 -0.740 42.5 -51.5-129.4 179.0 31.3 25.8 69.1 64 71 A V T 3 S+ 0 0 54 1,-0.3 26,-0.3 -2,-0.2 25,-0.1 -0.235 125.6 13.8 -51.4 130.8 29.7 22.4 69.7 65 72 A G T 3 S+ 0 0 3 24,-2.5 -1,-0.3 1,-0.3 25,-0.2 0.260 93.8 130.5 87.1 -13.6 28.5 22.2 73.3 66 73 A D < - 0 0 39 -3,-2.5 25,-3.2 1,-0.1 2,-0.4 -0.445 57.0-120.6 -75.2 149.4 28.9 26.0 74.1 67 74 A R E -i 91 0D 32 45,-0.4 47,-2.8 44,-0.2 48,-0.8 -0.772 24.6-173.6 -94.5 132.2 26.0 27.8 75.7 68 75 A V E -ij 92 115D 0 23,-2.6 25,-2.8 -2,-0.4 2,-0.3 -0.992 16.2-150.8-121.8 125.4 24.3 30.8 74.0 69 76 A A E -ij 93 116D 0 46,-3.1 48,-3.4 -2,-0.5 2,-0.4 -0.686 8.9-158.9-104.0 155.7 21.7 32.6 76.0 70 77 A T E -ij 94 117D 0 23,-2.1 25,-2.6 -2,-0.3 2,-0.2 -0.952 11.2-175.5-127.6 147.6 18.6 34.6 75.2 71 78 A L E + j 0 118D 0 46,-2.1 48,-2.2 -2,-0.4 2,-0.3 -0.763 52.9 95.3-138.0 82.3 16.7 37.2 77.2 72 79 A G - 0 0 0 23,-0.4 150,-0.2 -2,-0.2 2,-0.1 -0.951 62.8-104.9-160.8-179.1 13.7 37.9 75.0 73 80 A F - 0 0 20 -2,-0.3 2,-0.6 148,-0.1 5,-0.2 -0.384 58.2 -59.1-107.2-175.1 10.1 37.4 74.0 74 81 A N S S+ 0 0 5 170,-0.3 170,-1.5 -2,-0.1 -42,-0.3 -0.586 78.6 116.8 -76.5 113.7 8.4 35.6 71.2 75 82 A H S >> S- 0 0 11 -2,-0.6 4,-1.5 168,-0.1 3,-0.8 -0.952 75.9 -84.2-165.0 165.0 9.4 37.0 67.7 76 83 A F H 3> S+ 0 0 6 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.730 121.0 54.9 -51.7 -33.3 11.2 35.8 64.6 77 84 A R H 3> S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 108.0 49.6 -71.0 -37.1 14.8 36.3 65.8 78 85 A H H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.853 110.4 52.5 -67.1 -31.4 14.1 34.2 68.9 79 86 A L H X S+ 0 0 0 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.914 107.8 50.1 -69.5 -41.1 12.7 31.6 66.5 80 87 A E H >X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 3,-0.6 0.891 111.2 49.1 -63.8 -37.5 15.9 31.7 64.4 81 88 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.884 100.3 66.0 -67.6 -37.5 17.9 31.3 67.5 82 89 A Y H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 117.1 26.3 -54.3 -28.3 15.7 28.4 68.5 83 90 A F H <>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 3,-0.6 0.959 120.2 36.7 -59.1 -53.6 22.0 27.3 68.3 86 93 A P H >45S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.887 112.8 61.2 -67.0 -35.0 20.9 23.6 68.4 87 94 A G H 3<5S+ 0 0 1 -4,-2.7 77,-2.9 1,-0.3 -2,-0.2 0.746 105.3 46.3 -62.7 -24.7 21.6 23.3 64.7 88 95 A M T <<5S- 0 0 2 -4,-1.4 -1,-0.3 -3,-0.6 -3,-0.1 0.274 124.7-100.2-100.8 9.0 25.2 24.1 65.2 89 96 A G T < 5S+ 0 0 2 -3,-1.7 -24,-2.5 1,-0.3 448,-0.4 0.460 83.5 127.4 88.7 0.2 25.6 21.7 68.1 90 97 A A < - 0 0 0 -5,-2.0 2,-0.5 -6,-0.3 -1,-0.3 -0.237 60.6-110.6 -84.3 176.3 25.4 24.5 70.7 91 98 A V E -i 67 0D 0 -25,-3.2 -23,-2.6 -3,-0.1 2,-0.8 -0.937 18.6-142.2-117.0 119.3 23.1 24.8 73.7 92 99 A L E -ik 68 173D 3 80,-2.6 82,-2.2 -2,-0.5 2,-0.8 -0.669 14.1-166.8 -82.2 107.3 20.3 27.4 73.9 93 100 A H E -ik 69 174D 0 -25,-2.8 -23,-2.1 -2,-0.8 2,-0.7 -0.833 7.2-160.2 -95.6 108.1 20.0 28.7 77.4 94 101 A T E -i 70 0D 5 80,-1.6 2,-0.4 -2,-0.8 82,-0.3 -0.800 7.3-163.7 -94.0 118.7 16.7 30.6 77.6 95 102 A A - 0 0 1 -25,-2.6 -23,-0.4 -2,-0.7 128,-0.1 -0.818 22.0-118.8-104.7 139.7 16.5 33.1 80.5 96 103 A N > - 0 0 25 -2,-0.4 3,-1.7 1,-0.1 -23,-0.1 -0.634 15.4-154.8 -76.8 114.0 13.4 34.7 81.9 97 104 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.633 90.1 64.6 -63.3 -14.9 13.6 38.5 81.5 98 105 A R T 3 S+ 0 0 149 2,-0.0 2,-0.1 3,-0.0 -2,-0.0 0.413 79.8 101.0 -90.8 1.6 11.2 39.0 84.5 99 106 A L S < S- 0 0 30 -3,-1.7 5,-0.0 1,-0.1 -4,-0.0 -0.461 88.2 -86.8 -81.5 159.6 13.6 37.5 87.0 100 107 A S > - 0 0 60 -2,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.245 38.1-111.8 -62.5 154.9 15.6 39.8 89.3 101 108 A P H > S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.848 117.1 54.7 -56.7 -35.2 19.0 41.0 87.9 102 109 A K H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.895 107.8 46.6 -67.4 -42.4 20.8 38.9 90.5 103 110 A E H > S+ 0 0 39 2,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.866 112.0 51.9 -68.4 -35.5 19.1 35.6 89.6 104 111 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 110.6 47.5 -67.3 -39.9 19.7 36.3 85.9 105 112 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.913 112.0 52.6 -66.3 -40.6 23.4 37.0 86.5 106 113 A Y H X S+ 0 0 87 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 112.7 40.9 -61.5 -49.5 23.5 33.8 88.6 107 114 A I H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.867 114.4 52.8 -70.8 -33.5 22.0 31.5 86.0 108 115 A L H <>S+ 0 0 0 -4,-2.2 5,-1.8 -5,-0.2 4,-0.3 0.847 114.9 42.3 -68.9 -32.0 24.0 33.1 83.2 109 116 A N H <5S+ 0 0 30 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.843 113.2 51.9 -81.0 -34.9 27.2 32.6 85.2 110 117 A H H <5S+ 0 0 43 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.895 115.2 41.6 -67.3 -39.5 26.2 29.1 86.2 111 118 A A T <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -44,-0.2 0.593 103.9-138.4 -82.2 -10.8 25.5 28.1 82.6 112 119 A E T 5 - 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