==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-DEC-06 2E5A . COMPND 2 MOLECULE: LIPOYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.FUJIWARA,H.HOSAKA,M.MATSUDA,M.SUZUKI,A.NAKAGAWA . 329 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 18.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 29 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 1 0 1 0 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 1 0 4 0 2 0 1 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 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 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 5 A G 0 0 30 0, 0.0 2,-0.3 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 174.3 37.0 53.5 12.7 2 6 A L E -a 32 0A 41 29,-1.5 31,-2.8 209,-0.1 2,-0.5 -0.975 360.0-151.0-157.2 136.8 40.2 52.3 14.4 3 7 A I E -a 33 0A 1 211,-0.5 213,-3.1 -2,-0.3 2,-0.4 -0.957 19.5-179.9-117.5 119.9 43.2 50.2 13.4 4 8 A L E -ab 34 216A 11 29,-3.3 31,-3.0 -2,-0.5 2,-0.4 -0.915 10.9-167.8-120.4 143.6 45.0 48.1 16.0 5 9 A Q E -ab 35 217A 37 211,-2.3 213,-2.5 -2,-0.4 31,-0.2 -0.987 21.5-130.0-130.5 126.0 48.1 45.9 15.8 6 10 A S E - b 0 218A 6 29,-2.2 31,-0.2 -2,-0.4 213,-0.2 -0.488 5.2-157.2 -71.4 139.9 49.1 43.5 18.5 7 11 A I S S+ 0 0 97 211,-2.2 2,-0.2 -2,-0.2 -1,-0.1 0.546 71.4 89.0 -87.1 -12.5 52.8 43.6 19.6 8 12 A S - 0 0 24 210,-0.4 29,-0.6 1,-0.1 -2,-0.1 -0.555 56.7-165.2 -90.2 147.9 52.4 40.1 20.9 9 13 A N + 0 0 67 -2,-0.2 30,-2.8 27,-0.1 2,-0.8 0.150 58.3 114.1-111.4 14.9 53.1 36.9 19.0 10 14 A D >> - 0 0 38 28,-0.2 4,-2.0 1,-0.2 3,-0.7 -0.795 57.7-153.5 -89.4 108.8 51.3 34.7 21.6 11 15 A V H 3> S+ 0 0 0 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.818 91.2 56.6 -48.5 -39.2 48.1 33.3 20.1 12 16 A Y H 3> S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 110.6 42.0 -69.4 -38.1 46.4 33.0 23.5 13 17 A H H <> S+ 0 0 36 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.815 114.7 52.2 -74.2 -31.2 46.7 36.7 24.3 14 18 A N H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.894 110.3 47.0 -72.4 -42.6 45.8 37.7 20.7 15 19 A L H X S+ 0 0 6 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.852 107.9 57.9 -60.8 -38.2 42.7 35.6 20.8 16 20 A A H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.2 -2,-0.2 0.861 100.3 57.4 -60.9 -36.6 41.9 37.2 24.2 17 21 A V H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.911 105.7 49.9 -57.0 -47.5 42.0 40.6 22.5 18 22 A E H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.940 111.8 47.6 -54.2 -53.5 39.3 39.4 20.2 19 23 A D H X S+ 0 0 13 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.918 114.5 48.1 -50.1 -50.3 37.3 38.2 23.2 20 24 A W H X S+ 0 0 27 -4,-3.0 4,-2.4 2,-0.2 5,-0.4 0.935 112.7 43.7 -62.8 -53.9 37.9 41.5 24.9 21 25 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.928 114.2 53.6 -58.1 -46.6 37.0 43.9 22.1 22 26 A H H < S+ 0 0 14 -4,-2.4 120,-0.3 -5,-0.3 -1,-0.2 0.860 117.4 37.2 -46.5 -45.7 33.9 41.6 21.4 23 27 A D H < S+ 0 0 85 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.751 131.7 19.6 -83.7 -28.4 32.9 42.0 25.1 24 28 A H H < S+ 0 0 101 -4,-2.4 2,-0.4 -5,-0.1 -3,-0.2 0.637 90.8 95.2-126.5 -23.2 33.8 45.6 25.8 25 29 A M < - 0 0 39 -4,-2.2 2,-0.8 -5,-0.4 117,-0.0 -0.667 63.7-133.2 -88.1 131.6 34.2 47.9 22.8 26 30 A N + 0 0 119 -2,-0.4 117,-0.1 1,-0.1 64,-0.1 -0.724 26.9 178.1 -77.2 110.2 31.4 50.1 21.5 27 31 A L > + 0 0 6 -2,-0.8 3,-1.5 115,-0.3 2,-0.5 0.352 33.6 126.5-101.1 3.1 31.5 49.5 17.7 28 32 A E T 3 S- 0 0 141 1,-0.3 -2,-0.1 61,-0.1 61,-0.0 -0.521 96.0 -11.9 -65.8 114.6 28.6 51.6 16.7 29 33 A G T 3 S+ 0 0 74 -2,-0.5 -1,-0.3 1,-0.0 -2,-0.1 0.579 130.3 81.5 67.6 11.9 29.9 54.0 14.0 30 34 A K < - 0 0 80 -3,-1.5 -2,-0.1 2,-0.0 2,-0.1 -0.561 61.2-175.3-147.9 74.3 33.4 52.9 14.9 31 35 A P - 0 0 23 0, 0.0 -29,-1.5 0, 0.0 2,-0.4 -0.373 16.7-138.9 -71.8 154.7 34.5 49.6 13.4 32 36 A V E -aC 2 88A 0 56,-1.7 56,-3.0 -31,-0.2 2,-0.5 -0.959 10.3-158.5-120.7 129.3 37.9 48.1 14.3 33 37 A L E -aC 3 87A 0 -31,-2.8 -29,-3.3 -2,-0.4 2,-0.5 -0.933 15.8-167.3 -96.6 127.9 40.5 46.5 12.2 34 38 A F E -aC 4 86A 0 52,-2.5 52,-2.7 -2,-0.5 2,-0.4 -0.976 1.2-165.3-121.0 121.1 42.8 44.3 14.3 35 39 A L E +aC 5 85A 1 -31,-3.0 -29,-2.2 -2,-0.5 2,-0.3 -0.885 16.7 163.0-109.5 134.6 46.1 43.0 12.8 36 40 A W E - C 0 84A 9 48,-2.2 48,-2.9 -2,-0.4 2,-0.4 -0.999 24.0-160.2-154.0 148.6 48.1 40.2 14.5 37 41 A R - 0 0 44 -29,-0.6 2,-0.3 -2,-0.3 43,-0.1 -0.994 15.3-155.2-128.9 138.4 50.8 37.6 13.9 38 42 A N - 0 0 0 41,-0.4 44,-0.3 -2,-0.4 -28,-0.2 -0.827 19.9-115.3-110.7 151.7 51.4 34.5 15.9 39 43 A S S S- 0 0 35 -30,-2.8 -28,-0.1 -2,-0.3 39,-0.1 -0.279 77.5 -42.1 -64.0 165.8 54.5 32.3 16.5 40 44 A P S S+ 0 0 51 0, 0.0 25,-2.3 0, 0.0 2,-0.3 -0.066 85.6 152.8 -41.1 115.1 54.2 28.7 15.2 41 45 A T E -fG 65 78B 0 37,-2.8 37,-3.7 23,-0.2 2,-0.5 -0.979 42.8-144.0-152.8 131.4 50.6 27.6 16.1 42 46 A V E -fG 66 77B 0 23,-3.0 25,-2.4 -2,-0.3 2,-0.6 -0.879 24.1-160.0 -91.5 128.3 48.0 25.2 14.8 43 47 A V E -fG 67 76B 4 33,-2.8 33,-2.0 -2,-0.5 2,-0.3 -0.942 5.7-166.9-116.7 112.3 44.5 26.8 15.3 44 48 A I E -f 68 0B 0 23,-2.4 25,-2.0 -2,-0.6 31,-0.2 -0.658 26.8-103.4 -94.3 151.7 41.5 24.5 15.2 45 49 A G > - 0 0 0 28,-0.4 3,-1.8 -2,-0.3 27,-0.2 -0.241 40.0 -96.5 -67.3 162.3 37.9 25.6 15.0 46 50 A R T 3 S+ 0 0 60 25,-2.7 26,-0.2 1,-0.3 -1,-0.1 0.766 122.3 38.4 -48.8 -37.5 35.6 25.6 18.0 47 51 A H T 3 S+ 0 0 90 26,-0.2 128,-2.1 24,-0.1 -1,-0.3 -0.021 95.4 116.3-110.5 29.2 34.0 22.2 17.3 48 52 A Q < - 0 0 0 -3,-1.8 128,-0.1 126,-0.2 -4,-0.1 -0.524 60.2-131.4-102.5 166.8 37.1 20.4 16.0 49 53 A N >> - 0 0 0 126,-0.4 4,-1.4 -2,-0.2 3,-1.0 -0.965 11.1-157.9-116.7 110.6 39.2 17.4 17.2 50 54 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.1 0.796 92.3 58.5 -68.4 -25.0 42.9 18.1 17.2 51 55 A W H 34 S+ 0 0 0 1,-0.2 116,-0.5 2,-0.2 5,-0.1 0.780 112.2 43.7 -66.9 -26.3 43.9 14.4 17.0 52 56 A Q H <4 S+ 0 0 57 -3,-1.0 113,-0.4 1,-0.1 -1,-0.2 0.748 119.0 43.3 -84.0 -27.5 41.9 14.4 13.7 53 57 A E H < S+ 0 0 19 -4,-1.4 2,-0.3 111,-0.1 -2,-0.2 0.673 114.0 19.8-101.7 -23.4 43.3 17.7 12.5 54 58 A C S < S- 0 0 0 -4,-2.0 2,-1.2 -5,-0.1 109,-0.2 -0.953 72.2-102.9-147.5 165.7 47.0 17.7 13.1 55 59 A N > + 0 0 32 107,-2.3 4,-1.5 -2,-0.3 5,-0.1 -0.761 38.8 179.6 -87.5 90.0 50.2 15.8 13.8 56 60 A L H > S+ 0 0 2 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.822 76.1 56.4 -65.9 -35.2 50.4 16.5 17.6 57 61 A N H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 109.1 45.7 -60.2 -49.5 53.6 14.5 18.1 58 62 A L H 4 S+ 0 0 29 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.791 112.7 52.8 -63.2 -30.8 55.4 16.5 15.4 59 63 A M H >X>S+ 0 0 4 -4,-1.5 5,-2.6 2,-0.2 3,-0.9 0.892 108.0 49.4 -70.7 -43.0 54.0 19.7 17.0 60 64 A R H 3<5S+ 0 0 94 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.863 112.6 47.4 -63.4 -38.9 55.3 18.8 20.5 61 65 A E T 3<5S+ 0 0 137 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.344 116.8 43.4 -88.9 4.6 58.8 18.1 19.2 62 66 A E T <45S- 0 0 113 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.387 112.0-113.4-123.4 -2.8 59.0 21.2 17.1 63 67 A G T <5 + 0 0 59 -4,-0.8 2,-0.5 -3,-0.3 -3,-0.2 0.730 59.9 156.1 75.1 25.1 57.5 23.6 19.7 64 68 A V < - 0 0 11 -5,-2.6 -1,-0.3 -6,-0.2 -23,-0.2 -0.732 35.4-135.2 -85.1 125.7 54.3 24.3 17.7 65 69 A K E -f 41 0B 52 -25,-2.3 -23,-3.0 -2,-0.5 2,-0.4 -0.372 6.1-140.8 -76.9 156.7 51.4 25.5 19.9 66 70 A L E +f 42 0B 8 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.2 -0.985 24.2 174.0-116.1 130.9 47.8 24.3 19.7 67 71 A A E -f 43 0B 1 -25,-2.4 -23,-2.4 -2,-0.4 2,-0.5 -0.983 23.1-148.4-132.0 146.4 45.0 26.7 20.1 68 72 A R E -f 44 0B 1 168,-0.4 -23,-0.2 -2,-0.3 2,-0.1 -0.980 20.9-150.5-110.5 122.9 41.2 26.4 19.8 69 73 A R - 0 0 18 -25,-2.0 -54,-0.0 -2,-0.5 -25,-0.0 -0.380 20.6-119.4 -85.6 169.4 39.5 29.6 18.6 70 74 A R S S+ 0 0 48 -2,-0.1 2,-0.1 -25,-0.1 -1,-0.1 0.682 89.3 81.8 -85.1 -18.5 35.9 30.6 19.5 71 75 A S S S- 0 0 0 1,-0.1 -25,-2.7 67,-0.1 -2,-0.2 -0.493 81.3-117.3 -81.9 156.5 34.7 30.7 15.9 72 76 A G + 0 0 31 65,-0.7 2,-0.2 -27,-0.2 -1,-0.1 0.070 63.8 73.8 -73.1-169.6 33.7 27.6 14.0 73 77 A G S S- 0 0 33 -28,-0.1 -28,-0.4 63,-0.1 -26,-0.2 -0.522 74.3 -32.3 101.6-163.1 35.4 26.2 10.9 74 78 A G - 0 0 24 -2,-0.2 2,-0.4 -30,-0.1 103,-0.1 -0.112 58.1 -84.2 -97.3-173.5 38.6 24.4 10.0 75 79 A T + 0 0 17 -31,-0.2 2,-0.3 88,-0.1 -31,-0.2 -0.761 41.2 176.0-100.2 131.9 42.2 24.1 11.0 76 80 A V E -G 43 0B 35 -33,-2.0 -33,-2.8 -2,-0.4 2,-0.5 -0.859 26.4-123.1-126.5 162.5 44.9 26.4 9.9 77 81 A Y E -G 42 0B 6 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.934 23.5-163.8-106.7 132.4 48.6 26.9 10.6 78 82 A H E +G 41 0B 8 -37,-3.7 -37,-2.8 -2,-0.5 2,-0.3 -0.946 20.3 148.1-111.5 133.0 50.0 30.2 11.8 79 83 A D > - 0 0 20 -2,-0.4 3,-2.3 -39,-0.2 -41,-0.4 -0.872 64.9 -79.2-142.0-172.8 53.6 31.4 11.9 80 84 A M T 3 S+ 0 0 65 1,-0.3 114,-0.1 -2,-0.3 -41,-0.1 0.649 125.5 63.3 -65.2 -14.9 55.3 34.7 11.5 81 85 A G T 3 S+ 0 0 14 72,-0.1 71,-2.5 -43,-0.1 72,-2.3 0.333 93.1 81.3 -85.7 5.6 54.9 34.6 7.7 82 86 A N E < - D 0 151A 1 -3,-2.3 2,-0.4 -44,-0.3 -44,-0.4 -0.948 66.6-151.2-117.2 131.4 51.1 34.7 8.2 83 87 A I E - D 0 150A 0 67,-2.7 67,-0.8 -2,-0.4 2,-0.4 -0.852 6.4-156.3 -97.5 132.9 48.9 37.8 8.9 84 88 A N E -CD 36 149A 4 -48,-2.9 -48,-2.2 -2,-0.4 2,-0.4 -0.918 8.9-166.5-103.7 137.5 45.7 37.5 10.8 85 89 A L E -CD 35 148A 0 63,-2.8 63,-2.2 -2,-0.4 2,-0.5 -0.986 5.6-168.2-124.0 130.3 43.0 40.2 10.3 86 90 A T E -CD 34 147A 0 -52,-2.7 -52,-2.5 -2,-0.4 2,-0.7 -0.973 4.7-162.9-119.8 120.1 40.0 40.7 12.5 87 91 A F E -CD 33 146A 3 59,-3.3 59,-2.0 -2,-0.5 2,-0.5 -0.893 12.0-164.5 -99.5 106.2 37.2 43.0 11.3 88 92 A F E +CD 32 145A 0 -56,-3.0 -56,-1.7 -2,-0.7 2,-0.3 -0.818 21.3 150.3 -93.6 128.5 35.0 44.0 14.3 89 93 A T E - D 0 144A 18 55,-2.6 55,-2.7 -2,-0.5 2,-0.1 -0.877 51.5 -86.2-139.3 173.7 31.6 45.5 13.6 90 94 A T > - 0 0 20 -63,-0.4 3,-0.7 -2,-0.3 4,-0.4 -0.460 52.4-105.1 -67.2 158.9 28.1 45.8 15.1 91 95 A K G > S+ 0 0 103 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.885 122.4 59.2 -56.8 -37.6 26.0 42.8 14.1 92 96 A K G 3 S+ 0 0 199 1,-0.3 -1,-0.2 3,-0.0 51,-0.0 0.841 107.4 45.3 -59.6 -35.5 24.1 45.0 11.7 93 97 A K G < S+ 0 0 147 -3,-0.7 2,-0.3 51,-0.0 -1,-0.3 0.331 78.5 132.3 -94.8 7.2 27.4 45.8 9.8 94 98 A Y < + 0 0 62 -3,-1.3 2,-0.2 -4,-0.4 -6,-0.0 -0.445 21.9 153.6 -59.8 119.1 28.6 42.2 9.7 95 99 A D > - 0 0 71 -2,-0.3 4,-1.5 1,-0.1 3,-0.1 -0.644 21.6-180.0-156.9 89.6 29.7 41.7 6.1 96 100 A R H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.873 85.7 52.0 -62.5 -40.3 32.5 39.1 5.3 97 101 A M H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 105.1 56.1 -70.0 -33.7 32.5 39.7 1.6 98 102 A E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.920 109.6 47.2 -58.9 -44.2 32.9 43.4 2.0 99 103 A N H X S+ 0 0 10 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.887 110.5 50.6 -66.0 -43.4 36.1 42.7 4.1 100 104 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.878 108.9 51.9 -63.4 -39.7 37.5 40.3 1.6 101 105 A K H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.888 107.2 54.1 -61.6 -39.2 37.0 42.8 -1.2 102 106 A L H X S+ 0 0 4 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.898 107.4 50.1 -60.5 -43.4 38.9 45.3 0.9 103 107 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.878 108.0 53.5 -62.5 -40.2 41.8 42.9 1.3 104 108 A V H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.916 107.9 50.7 -61.3 -44.7 41.8 42.4 -2.5 105 109 A R H X S+ 0 0 109 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.934 110.3 50.5 -55.1 -47.5 42.1 46.1 -3.1 106 110 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.894 110.8 47.2 -61.1 -45.2 45.0 46.3 -0.6 107 111 A L H X S+ 0 0 2 -4,-2.3 4,-1.0 1,-0.2 3,-0.4 0.881 111.6 51.2 -64.3 -40.6 46.9 43.5 -2.3 108 112 A K H < S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 100.8 64.0 -68.2 -27.9 46.3 45.0 -5.8 109 113 A A H < S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.4 32.6 -61.5 -37.2 47.6 48.4 -4.5 110 114 A V H < S+ 0 0 56 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.495 135.9 27.9-100.1 -8.5 51.1 46.8 -3.9 111 115 A H S >< S- 0 0 51 -4,-1.0 3,-1.2 -5,-0.1 -1,-0.3 -0.567 88.5-142.4-149.9 84.1 50.8 44.4 -6.8 112 116 A P T 3 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.128 83.0 11.5 -53.0 137.9 48.5 45.8 -9.6 113 117 A H T 3 S+ 0 0 181 1,-0.2 2,-0.3 -5,-0.0 -5,-0.1 0.794 81.6 171.2 58.5 34.1 46.4 43.2 -11.3 114 118 A L < - 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0 0 20 -2,-2.1 -2,-0.0 3,-0.2 24,-0.0 -0.993 68.6-134.0-151.9 134.9 47.0 13.1 27.1 307 312 A P S S+ 0 0 12 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.560 106.8 53.6 -69.2 -10.7 50.5 11.6 26.6 308 313 A I S >> S+ 0 0 121 1,-0.2 2,-2.2 2,-0.1 3,-1.8 0.919 102.3 53.1 -85.1 -56.7 51.7 13.3 29.8 309 314 A E T 34 S+ 0 0 92 1,-0.2 -3,-0.2 2,-0.2 -1,-0.2 -0.263 102.9 62.3 -79.5 53.0 49.0 12.0 32.3 310 315 A T T 34 S+ 0 0 17 -2,-2.2 -1,-0.2 -3,-0.3 -2,-0.1 0.305 88.4 63.8-148.3 -15.4 49.7 8.4 31.3 311 316 A T T <4 0 0 98 -3,-1.8 -2,-0.2 -4,-0.1 -3,-0.1 0.722 360.0 360.0 -78.5 -24.6 53.4 8.1 32.4 312 317 A V < 0 0 163 -4,-0.6 -4,-0.0 0, 0.0 -3,-0.0 -0.361 360.0 360.0-148.9 360.0 52.1 8.6 36.0 313 ! 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 0.0 314 330 A D > 0 0 188 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.6 61.0 -8.0 35.3 315 331 A E H > + 0 0 128 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.891 360.0 46.1 -70.3 -41.4 59.5 -9.6 32.1 316 332 A L H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.864 110.2 53.1 -69.2 -37.4 56.1 -8.1 33.0 317 333 A H H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.858 108.6 50.6 -66.3 -37.5 57.5 -4.7 33.8 318 334 A S H X S+ 0 0 65 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.838 111.8 47.2 -67.0 -37.3 59.2 -4.6 30.4 319 335 A K H X S+ 0 0 18 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.881 109.5 54.1 -71.4 -41.4 55.9 -5.6 28.6 320 336 A W H X S+ 0 0 69 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.910 108.6 49.2 -56.3 -47.2 54.0 -2.9 30.6 321 337 A N H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.897 110.4 49.3 -62.7 -44.4 56.5 -0.2 29.5 322 338 A I H X S+ 0 0 61 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.912 114.8 46.4 -59.5 -43.4 56.2 -1.2 25.8 323 339 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 111.5 49.5 -66.0 -48.4 52.4 -1.2 26.1 324 340 A C H X S+ 0 0 13 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.860 110.5 52.1 -57.7 -38.5 52.3 2.2 28.0 325 341 A E H X S+ 0 0 104 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.831 108.5 49.3 -69.6 -35.7 54.6 3.7 25.3 326 342 A K H < S+ 0 0 88 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.903 113.2 47.3 -67.3 -42.7 52.4 2.6 22.4 327 343 A I H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.903 109.2 53.6 -64.1 -44.6 49.3 4.0 24.2 328 344 A K H >< S+ 0 0 50 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.896 102.2 62.4 -52.6 -41.8 51.2 7.2 24.9 329 345 A G T 3< S+ 0 0 38 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.525 97.6 54.0 -67.8 -10.8 51.9 7.4 21.1 330 346 A I T < 0 0 32 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.392 360.0 360.0-100.1 2.6 48.2 7.6 20.1 331 347 A M < 0 0 1 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.483 360.0 360.0-110.0 360.0 47.5 10.6 22.4