==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-AUG-05 2ARS . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR D.J.KIM,K.H.KIM,H.H.LEE,S.J.LEE,J.Y.HA,H.J.YOON,S.W.SUH . 245 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 16.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 21 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 1 1 1 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 1 0 0 1 0 1 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 1 0 0 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 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 X 0 0 169 0, 0.0 213,-4.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -13.0 40.2 22.0 31.8 2 2 A E E -a 214 0A 67 211,-0.2 2,-0.3 213,-0.1 213,-0.2 -0.727 360.0-176.6 -88.3 133.8 39.3 21.2 35.4 3 3 A G E -a 215 0A 3 211,-2.5 213,-2.7 -2,-0.4 2,-0.5 -0.860 25.1-116.5-132.7 167.6 35.7 22.0 36.3 4 4 A R E -ab 216 35A 28 30,-3.1 32,-2.7 -2,-0.3 2,-0.7 -0.893 15.7-161.8-108.7 125.8 33.1 22.0 39.1 5 5 A L E -ab 217 36A 11 211,-2.6 213,-2.9 -2,-0.5 2,-0.6 -0.910 12.4-169.4-104.1 114.1 30.0 19.8 39.1 6 6 A L E -ab 218 37A 2 30,-2.6 32,-2.1 -2,-0.7 2,-1.5 -0.911 18.9-169.6-111.3 113.9 27.5 21.2 41.6 7 7 A L + 0 0 73 -2,-0.6 2,-0.6 211,-0.5 32,-0.1 -0.586 37.0 158.7 -94.8 68.1 24.5 19.1 42.5 8 8 A L + 0 0 27 -2,-1.5 2,-0.2 30,-0.3 -2,-0.1 -0.866 10.1 163.3-102.4 118.4 23.1 22.1 44.3 9 9 A E - 0 0 83 -2,-0.6 32,-0.1 30,-0.1 30,-0.1 -0.770 34.9-174.0-129.5 172.9 19.3 22.3 44.9 10 10 A T > - 0 0 24 30,-0.5 3,-2.8 -2,-0.2 7,-0.3 -0.254 24.9-177.3-158.0 46.9 16.7 24.0 46.9 11 11 A P T 3 S+ 0 0 74 0, 0.0 30,-0.1 0, 0.0 -2,-0.1 -0.270 73.8 35.9 -54.3 143.0 13.6 22.1 45.9 12 12 A G T 3 S+ 0 0 49 0, 0.0 2,-0.4 0, 0.0 29,-0.1 -0.049 113.9 65.6 100.4 -29.7 10.6 23.6 47.6 13 13 A N <> + 0 0 49 -3,-2.8 4,-2.0 1,-0.1 3,-0.2 -0.719 52.5 169.3-130.2 85.5 12.1 27.1 47.2 14 14 A T H > S+ 0 0 0 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.848 79.4 57.9 -62.3 -36.7 12.4 28.2 43.6 15 15 A R H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 109.0 45.3 -62.7 -39.8 13.3 31.8 44.5 16 16 A X H > S+ 0 0 4 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 109.5 55.9 -68.7 -40.6 16.3 30.6 46.5 17 17 A S H X S+ 0 0 0 -4,-2.0 4,-1.4 -7,-0.3 -2,-0.2 0.890 108.0 47.8 -58.1 -41.5 17.3 28.2 43.7 18 18 A L H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.859 106.8 57.7 -67.6 -34.3 17.4 31.1 41.3 19 19 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.884 102.2 55.3 -62.4 -38.5 19.5 33.1 43.9 20 20 A Y H X S+ 0 0 22 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.920 106.2 51.8 -59.5 -44.8 22.0 30.3 43.8 21 21 A D H X S+ 0 0 6 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.950 113.6 41.4 -58.4 -52.7 22.3 30.7 40.0 22 22 A E H X S+ 0 0 4 -4,-2.2 4,-3.4 1,-0.2 5,-0.3 0.883 112.6 57.8 -65.3 -34.3 23.0 34.4 40.1 23 23 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.968 108.0 43.1 -59.6 -55.0 25.3 33.9 43.1 24 24 A I H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.838 117.4 49.4 -61.9 -30.7 27.6 31.5 41.3 25 25 A Y H < S+ 0 0 2 -4,-1.7 3,-0.4 -5,-0.3 -2,-0.2 0.951 115.2 40.6 -72.8 -50.2 27.5 33.8 38.3 26 26 A R H < S+ 0 0 122 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.849 114.5 52.3 -68.1 -33.5 28.2 37.1 40.1 27 27 A S H < S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.697 88.6 107.3 -75.9 -18.6 30.8 35.6 42.4 28 28 A F < - 0 0 7 -4,-0.7 2,-0.4 -3,-0.4 64,-0.1 -0.305 53.3-160.5 -64.7 138.3 32.7 34.1 39.4 29 29 A Q > - 0 0 121 -2,-0.1 3,-2.6 64,-0.0 127,-0.1 -0.943 34.6 -90.5-120.8 145.1 36.1 35.7 38.4 30 30 A Y T 3 S+ 0 0 139 -2,-0.4 127,-0.1 1,-0.3 3,-0.1 -0.252 116.6 28.2 -51.2 128.3 37.8 35.4 35.0 31 31 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 125,-0.2 -3,-0.0 0.258 89.8 127.5 101.4 -14.5 40.1 32.3 35.2 32 32 A D S < S- 0 0 65 -3,-2.6 -1,-0.3 1,-0.1 61,-0.3 -0.125 73.5 -79.0 -67.5 172.5 38.0 30.4 37.9 33 33 A K - 0 0 107 1,-0.1 -30,-0.2 59,-0.1 -1,-0.1 -0.547 53.0-106.0 -74.7 138.0 37.0 26.8 37.3 34 34 A P - 0 0 19 0, 0.0 -30,-3.1 0, 0.0 2,-0.4 -0.312 36.9-141.9 -61.2 150.1 34.0 26.4 35.0 35 35 A I E -bC 4 91A 0 56,-2.8 56,-2.3 -32,-0.2 2,-0.5 -0.956 20.1-176.0-122.9 135.3 30.8 25.5 36.8 36 36 A L E -bC 5 90A 0 -32,-2.7 -30,-2.6 -2,-0.4 2,-0.4 -0.986 14.1-173.1-129.0 115.6 28.0 23.1 35.8 37 37 A R E -bC 6 89A 0 52,-2.8 52,-2.3 -2,-0.5 2,-0.4 -0.928 9.1-162.0-115.1 137.7 25.1 22.9 38.2 38 38 A F E + C 0 88A 4 -32,-2.1 -30,-0.3 -2,-0.4 2,-0.3 -0.954 25.6 146.4-117.0 136.7 22.1 20.6 38.1 39 39 A Y E - C 0 87A 2 48,-2.5 48,-2.5 -2,-0.4 2,-0.3 -0.970 30.9-137.7-159.8 171.6 18.9 21.3 40.0 40 40 A R - 0 0 62 -2,-0.3 -30,-0.5 46,-0.2 2,-0.3 -0.981 6.3-152.0-140.8 150.2 15.1 21.0 40.0 41 41 A H - 0 0 2 41,-0.5 44,-0.3 -2,-0.3 3,-0.2 -0.925 17.6-130.9-119.6 146.0 12.2 23.2 41.0 42 42 A D - 0 0 57 -2,-0.3 39,-0.1 1,-0.2 -28,-0.1 -0.409 68.8 -33.5 -86.2 173.1 8.8 22.0 42.2 43 43 A R S S+ 0 0 97 -2,-0.1 25,-2.0 24,-0.1 2,-0.3 0.106 92.5 122.8 -31.2 111.8 5.6 23.4 40.6 44 44 A S E -iJ 68 81B 0 37,-2.3 37,-3.2 23,-0.3 2,-0.5 -0.987 54.5-124.5-169.5 163.3 6.3 27.0 39.6 45 45 A V E -iJ 69 80B 0 23,-2.7 25,-2.4 -2,-0.3 2,-0.5 -0.982 21.1-159.4-119.0 127.4 6.4 29.6 36.8 46 46 A I E -iJ 70 79B 2 33,-2.6 33,-2.1 -2,-0.5 2,-0.3 -0.935 8.7-161.6-109.8 123.1 9.6 31.5 36.1 47 47 A I E -i 71 0B 0 23,-2.4 25,-2.5 -2,-0.5 31,-0.2 -0.727 23.3-103.6-103.8 154.2 9.3 34.8 34.2 48 48 A G > - 0 0 0 28,-0.4 3,-1.9 -2,-0.3 27,-0.3 -0.242 33.8-103.3 -71.3 162.5 12.1 36.6 32.4 49 49 A Y T 3 S+ 0 0 90 25,-2.1 26,-0.2 1,-0.3 -1,-0.1 0.886 119.9 47.6 -51.8 -45.9 13.8 39.7 33.8 50 50 A F T 3 S+ 0 0 174 26,-0.2 -1,-0.3 24,-0.1 2,-0.2 0.293 97.7 93.5 -84.1 12.8 11.9 42.1 31.4 51 51 A Q < - 0 0 30 -3,-1.9 2,-0.5 25,-0.1 -4,-0.1 -0.624 64.4-139.3-104.8 164.8 8.5 40.6 32.1 52 52 A V >> - 0 0 52 -2,-0.2 3,-2.6 1,-0.1 4,-1.1 -0.991 19.8-131.3-122.5 124.4 5.7 41.5 34.5 53 53 A A H 3> S+ 0 0 0 190,-1.0 4,-2.2 -2,-0.5 3,-0.3 0.781 103.3 56.3 -42.2 -42.1 3.9 38.7 36.2 54 54 A E H 34 S+ 0 0 131 189,-0.3 -1,-0.3 1,-0.2 189,-0.0 0.531 106.8 49.6 -75.0 -5.8 0.4 40.0 35.5 55 55 A E H <4 S+ 0 0 116 -3,-2.6 -1,-0.2 3,-0.0 -2,-0.2 0.691 119.6 33.2-101.4 -26.0 1.0 40.1 31.7 56 56 A E H < S+ 0 0 70 -4,-1.1 122,-1.4 -3,-0.3 2,-0.3 0.745 119.0 32.7-102.0 -29.4 2.4 36.6 31.3 57 57 A V B < S-K 177 0C 2 -4,-2.2 2,-1.0 -5,-0.2 120,-0.1 -0.830 71.7-114.7-131.1 168.3 0.5 34.5 33.9 58 58 A D > - 0 0 55 118,-0.6 4,-2.2 -2,-0.3 3,-0.5 -0.815 25.0-170.8-101.3 91.8 -2.8 34.1 35.7 59 59 A L H > S+ 0 0 48 -2,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.781 86.1 56.4 -53.5 -28.9 -1.8 34.8 39.3 60 60 A D H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 107.7 46.1 -70.0 -45.1 -5.3 33.5 40.3 61 61 A Y H > S+ 0 0 69 -3,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.943 113.8 47.8 -62.1 -51.0 -4.8 30.2 38.7 62 62 A X H <>S+ 0 0 4 -4,-2.2 5,-3.5 1,-0.2 4,-0.4 0.829 109.7 53.5 -60.7 -35.3 -1.4 29.6 40.1 63 63 A K H <5S+ 0 0 177 -4,-1.5 3,-0.5 -5,-0.3 -1,-0.2 0.860 108.9 49.1 -69.5 -35.3 -2.5 30.5 43.6 64 64 A K H <5S+ 0 0 184 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.773 115.8 43.4 -74.3 -26.7 -5.3 28.0 43.4 65 65 A N T <5S- 0 0 55 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.357 113.5-114.6 -99.2 3.4 -3.0 25.3 42.2 66 66 A G T 5 + 0 0 45 -3,-0.5 2,-0.6 -4,-0.4 -3,-0.2 0.947 58.2 160.7 62.5 48.6 -0.2 26.1 44.7 67 67 A I < - 0 0 11 -5,-3.5 -23,-0.3 -8,-0.1 -1,-0.2 -0.915 35.8-130.8-108.3 114.7 2.2 27.2 41.9 68 68 A X E -i 44 0B 58 -25,-2.0 -23,-2.7 -2,-0.6 2,-0.5 -0.326 13.5-143.2 -65.3 139.9 5.1 29.4 43.0 69 69 A L E +i 45 0B 21 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.2 -0.904 27.7 165.8-106.1 130.2 5.8 32.5 41.0 70 70 A A E -i 46 0B 0 -25,-2.4 -23,-2.4 -2,-0.5 2,-0.4 -0.992 25.9-145.6-144.6 150.8 9.5 33.5 40.5 71 71 A R E -i 47 0B 9 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.2 -0.959 19.5-145.9-118.5 131.8 11.4 35.9 38.3 72 72 A R - 0 0 17 -25,-2.5 -53,-0.0 -2,-0.4 -57,-0.0 -0.483 20.6-119.8 -96.3 168.3 14.9 35.1 37.0 73 73 A Y S S+ 0 0 83 -2,-0.2 2,-0.1 -55,-0.1 -1,-0.1 0.823 90.9 75.6 -71.9 -34.8 17.9 37.3 36.4 74 74 A T S S- 0 0 3 1,-0.1 -25,-2.1 -25,-0.1 -2,-0.2 -0.429 81.3-117.8 -82.3 154.9 18.1 36.4 32.7 75 75 A G + 0 0 23 76,-0.5 2,-0.2 -27,-0.3 -1,-0.1 0.098 62.2 84.9 -73.9-167.2 15.8 37.7 29.9 76 76 A G S S- 0 0 28 -28,-0.1 -28,-0.4 74,-0.1 -26,-0.2 -0.502 74.9 -46.3 104.8-175.1 13.5 35.6 27.8 77 77 A G - 0 0 29 52,-0.2 2,-0.3 -2,-0.2 -28,-0.1 -0.127 60.8 -80.0 -89.5-174.5 9.9 34.3 28.2 78 78 A A - 0 0 21 -31,-0.2 2,-0.3 -30,-0.1 -31,-0.2 -0.618 44.2-173.9 -87.7 144.1 8.0 32.6 30.9 79 79 A V E -J 46 0B 37 -33,-2.1 -33,-2.6 -2,-0.3 2,-0.4 -0.974 21.1-128.4-138.8 152.9 8.3 28.9 31.6 80 80 A Y E -J 45 0B 6 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.849 26.6-171.3-101.7 135.0 6.6 26.3 33.7 81 81 A H E +J 44 0B 12 -37,-3.2 -37,-2.3 -2,-0.4 2,-0.3 -0.934 13.5 157.4-126.0 149.4 8.7 24.0 35.9 82 82 A D > - 0 0 16 -2,-0.3 3,-2.4 -39,-0.2 -41,-0.5 -0.886 62.3 -78.8-152.5 178.6 8.0 20.9 38.0 83 83 A L T 3 S+ 0 0 69 1,-0.3 -41,-0.1 -2,-0.3 85,-0.1 0.587 123.3 70.4 -64.6 -6.2 10.0 18.0 39.3 84 84 A G T 3 S+ 0 0 3 -43,-0.1 83,-2.3 82,-0.1 82,-1.9 0.504 85.8 84.4 -86.1 -5.7 9.8 16.5 35.9 85 85 A D E < - D 0 165A 1 -3,-2.4 2,-0.7 -44,-0.3 -44,-0.3 -0.820 68.3-149.5-100.6 136.2 12.1 19.2 34.6 86 86 A L E - D 0 164A 4 78,-2.5 78,-2.7 -2,-0.4 2,-0.3 -0.911 18.5-166.0-104.2 113.0 15.9 18.9 34.8 87 87 A N E +CD 39 163A 0 -48,-2.5 -48,-2.5 -2,-0.7 2,-0.3 -0.727 10.4 173.3 -98.1 149.8 17.4 22.3 35.1 88 88 A F E -CD 38 162A 0 74,-2.2 74,-3.1 -2,-0.3 2,-0.3 -0.982 11.8-163.0-155.6 145.1 21.1 23.0 34.6 89 89 A S E -CD 37 161A 0 -52,-2.3 -52,-2.8 -2,-0.3 2,-0.4 -0.952 4.4-156.1-131.0 150.3 23.4 26.1 34.5 90 90 A V E -CD 36 160A 4 70,-3.5 70,-1.9 -2,-0.3 2,-0.4 -0.990 5.9-172.6-128.5 132.0 26.9 26.7 33.2 91 91 A V E +CD 35 159A 0 -56,-2.3 -56,-2.8 -2,-0.4 2,-0.3 -0.996 19.4 157.1-126.1 126.0 29.2 29.5 34.3 92 92 A R E - D 0 158A 48 66,-1.7 66,-1.8 -2,-0.4 2,-0.1 -0.944 46.3 -84.1-144.1 165.0 32.5 30.1 32.5 93 93 A S E - D 0 157A 33 -2,-0.3 2,-0.4 -61,-0.3 64,-0.3 -0.409 46.6-153.1 -67.8 144.3 35.1 32.7 31.8 94 94 A S E - D 0 156A 6 62,-1.0 62,-0.6 60,-0.1 -64,-0.1 -0.979 27.0-177.8-129.8 139.7 34.3 34.9 28.9 95 95 A D S S+ 0 0 132 -2,-0.4 2,-0.2 60,-0.1 -1,-0.1 0.392 75.1 18.0-109.1 -3.3 36.4 36.9 26.4 96 96 A D S S- 0 0 82 58,-0.1 58,-0.1 2,-0.1 60,-0.1 -0.795 71.0-114.2-149.2-168.7 33.6 38.5 24.4 97 97 A X + 0 0 123 -2,-0.2 2,-1.4 56,-0.1 56,-0.1 0.026 57.1 142.0-125.0 24.7 29.9 39.4 24.4 98 98 A D > + 0 0 69 1,-0.2 4,-1.6 2,-0.1 -2,-0.1 -0.539 21.9 176.9 -73.3 91.9 28.8 37.0 21.6 99 99 A I H > S+ 0 0 71 -2,-1.4 4,-2.1 1,-0.2 5,-0.2 0.930 77.0 53.7 -60.8 -49.8 25.4 35.8 22.8 100 100 A T H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 107.9 51.3 -54.5 -41.8 24.7 33.7 19.6 101 101 A S H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 106.6 53.4 -65.9 -40.4 27.9 31.9 19.9 102 102 A X H X S+ 0 0 8 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.937 112.1 44.3 -60.3 -48.1 27.3 31.0 23.6 103 103 A F H X S+ 0 0 19 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.890 112.2 53.4 -64.6 -37.9 24.0 29.4 22.8 104 104 A R H X S+ 0 0 143 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.929 110.7 46.2 -63.9 -43.9 25.4 27.7 19.7 105 105 A T H X S+ 0 0 40 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.920 113.8 47.3 -65.2 -44.6 28.2 26.0 21.8 106 106 A X H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 111.1 52.0 -63.2 -43.4 25.9 24.9 24.6 107 107 A N H X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.844 105.7 54.5 -62.4 -33.7 23.3 23.5 22.2 108 108 A E H X S+ 0 0 108 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.918 109.3 48.8 -64.7 -41.0 26.1 21.5 20.5 109 109 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.907 112.3 48.3 -64.0 -41.3 26.9 20.1 23.9 110 110 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.942 109.7 50.9 -65.2 -47.4 23.2 19.3 24.5 111 111 A V H X S+ 0 0 18 -4,-3.0 4,-2.1 1,-0.2 10,-0.2 0.927 111.3 48.9 -55.9 -46.1 22.8 17.6 21.1 112 112 A N H X S+ 0 0 49 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.880 110.5 51.6 -61.2 -39.7 25.8 15.4 21.7 113 113 A S H >X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.6 0.949 111.6 44.9 -63.1 -49.9 24.5 14.5 25.2 114 114 A L H ><>S+ 0 0 2 -4,-2.7 5,-2.4 1,-0.2 3,-0.7 0.825 104.2 64.0 -65.6 -30.5 21.1 13.4 23.9 115 115 A R H ><5S+ 0 0 134 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 0.871 94.3 62.1 -60.6 -34.5 22.7 11.5 21.0 116 116 A I H <<5S+ 0 0 73 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.876 106.0 45.4 -57.0 -38.3 24.2 9.3 23.7 117 117 A L T <<5S- 0 0 38 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.313 123.3-104.5 -89.4 7.3 20.7 8.3 24.7 118 118 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.698 79.6 130.3 79.0 18.9 19.5 7.7 21.1 119 119 A L < - 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0 0 18 -5,-1.1 2,-1.2 -6,-0.4 -1,-0.3 -0.963 53.2-140.1-120.6 136.0 36.2 20.2 30.7 214 225 A D E -a 2 0A 97 -213,-4.1 -211,-2.5 -2,-0.4 2,-0.6 -0.727 23.3-161.2 -94.9 85.2 36.6 17.6 33.4 215 226 A F E -a 3 0A 15 -2,-1.2 2,-0.4 -11,-0.2 -211,-0.2 -0.586 10.8-172.2 -72.1 114.0 33.6 18.4 35.6 216 227 A R E -a 4 0A 151 -213,-2.7 -211,-2.6 -2,-0.6 -2,-0.0 -0.901 33.3 -96.6-111.3 137.4 34.3 16.9 39.0 217 228 A E E +a 5 0A 149 -2,-0.4 2,-0.2 -213,-0.2 -211,-0.2 -0.213 60.1 151.8 -52.4 129.9 31.7 16.8 41.8 218 229 A D E -a 6 0A 68 -213,-2.9 -211,-0.5 -3,-0.0 2,-0.3 -0.812 36.5-110.6-146.5-175.4 32.3 19.7 44.2 219 230 A T - 0 0 102 -2,-0.2 -213,-0.1 -213,-0.1 -211,-0.0 -0.877 34.2 -93.3-126.8 159.9 30.4 21.9 46.6 220 231 A I - 0 0 29 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.353 47.2-117.4 -65.7 147.1 29.3 25.5 46.7 221 232 A T > - 0 0 54 1,-0.1 4,-3.2 -2,-0.0 5,-0.2 -0.496 17.3-115.3 -86.0 160.5 31.8 27.7 48.5 222 233 A E H > S+ 0 0 172 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.890 119.4 54.8 -59.8 -37.2 30.9 29.7 51.7 223 234 A K H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 111.8 41.4 -61.6 -48.3 31.5 32.8 49.7 224 235 A E H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 115.3 51.3 -66.1 -43.1 29.0 31.8 47.0 225 236 A E H X S+ 0 0 57 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.908 109.5 50.1 -60.2 -43.3 26.6 30.5 49.6 226 237 A S H X S+ 0 0 78 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.928 110.5 49.2 -62.5 -44.2 26.7 33.8 51.5 227 238 A L H X S+ 0 0 41 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.890 109.7 52.6 -62.0 -39.2 26.1 35.8 48.3 228 239 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.903 109.6 48.0 -62.8 -43.5 23.1 33.6 47.5 229 240 A R H X S+ 0 0 95 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.894 112.3 49.8 -65.2 -39.7 21.6 34.1 50.9 230 241 A E H X S+ 0 0 102 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.928 111.6 48.1 -64.6 -44.6 22.1 37.8 50.6 231 242 A L H X>S+ 0 0 13 -4,-2.7 5,-1.9 2,-0.2 4,-1.7 0.869 114.4 46.9 -63.9 -37.4 20.5 37.9 47.1 232 243 A F H <>S+ 0 0 31 -4,-2.3 5,-2.6 3,-0.2 6,-0.3 0.983 114.4 46.1 -66.5 -57.1 17.6 35.9 48.4 233 244 A D H <5S+ 0 0 78 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.864 123.8 32.4 -52.9 -45.1 17.1 38.0 51.5 234 245 A K H <5S- 0 0 145 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.637 138.8 -1.2 -92.3 -15.5 17.3 41.3 49.7 235 246 A K T ><5S+ 0 0 31 -4,-1.7 3,-2.1 -5,-0.3 6,-0.4 0.568 119.4 51.1-136.5 -68.1 15.8 40.5 46.3 236 247 A Y T 3 S- 0 0 25 -3,-2.1 4,-1.7 -6,-0.3 5,-0.1 -0.556 71.3-137.7 -90.8 154.1 10.7 40.1 47.8 239 250 A E H > S+ 0 0 110 -2,-0.2 4,-1.2 1,-0.2 6,-0.3 0.887 100.5 61.3 -74.3 -41.8 7.5 40.8 46.0 240 251 A E H >>S+ 0 0 91 1,-0.2 5,-2.6 2,-0.2 6,-2.1 0.871 109.9 44.6 -54.4 -36.0 8.7 43.9 44.2 241 252 A W H >45S+ 0 0 9 -6,-0.4 3,-0.9 4,-0.2 -2,-0.2 0.975 111.9 48.2 -71.9 -55.6 11.3 41.7 42.5 242 253 A N H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 -7,-0.3 -2,-0.2 0.514 113.8 49.4 -64.9 -6.6 9.1 38.7 41.6 243 254 A X H 3<5S- 0 0 53 -4,-1.2 -190,-1.0 -3,-0.2 -189,-0.3 0.641 116.5-110.5-103.8 -21.8 6.4 41.0 40.1 244 255 A G T <<5S+ 0 0 25 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.651 88.7 107.2 99.7 21.3 8.8 43.0 38.0 245 256 A L < 0 0 145 -5,-2.6 -4,-0.2 -6,-0.3 -5,-0.1 0.827 360.0 360.0 -97.5 -40.7 8.6 46.3 39.9 246 257 A L 0 0 105 -6,-2.1 -1,-0.1 -7,-0.1 -8,-0.0 -0.216 360.0 360.0 -53.6 360.0 12.0 46.5 41.6