==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-FEB-06 2DDO . COMPND 2 MOLECULE: PYRIDOXINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.SAFO,F.N.MUSAYEV,M.L.DI SALVO,S.HUNT,J.B.CLAUDE, . 531 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 0 0 2 2 0 2 2 0 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 4 0 0 2 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 . 0 1 2 0 1 0 2 1 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 . 1 0 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 10 A K 0 0 241 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 20.4 -14.4 59.8 2 11 A S - 0 0 36 1,-0.1 73,-0.1 2,-0.1 4,-0.0 -0.746 360.0-163.2-109.1 154.6 20.0 -13.2 56.2 3 12 A R + 0 0 100 -2,-0.3 525,-1.4 2,-0.1 526,-0.4 0.501 63.3 105.6-107.3 -9.6 22.4 -11.5 53.9 4 13 A A S S- 0 0 15 71,-0.2 -2,-0.1 523,-0.2 71,-0.0 -0.322 83.2 -91.3 -71.3 151.0 19.7 -10.5 51.5 5 14 A L - 0 0 31 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.199 44.0-148.9 -58.9 154.2 18.4 -6.9 51.3 6 15 A Q - 0 0 36 71,-0.1 2,-0.3 -3,-0.1 71,-0.2 -0.912 12.0-167.2-129.0 154.7 15.5 -6.0 53.5 7 16 A A - 0 0 0 69,-0.8 72,-0.2 -2,-0.3 30,-0.2 -1.000 21.5-154.1-143.8 142.9 12.5 -3.6 53.3 8 17 A D S S+ 0 0 26 28,-1.0 73,-2.9 -2,-0.3 74,-1.4 0.787 87.8 35.7 -81.3 -31.2 9.9 -2.3 55.7 9 18 A I E -ab 37 82A 0 27,-2.0 29,-1.4 72,-0.2 2,-0.4 -0.864 60.6-158.0-125.1 155.2 7.4 -1.6 52.9 10 19 A V E -ab 38 83A 0 72,-1.0 74,-2.4 -2,-0.3 2,-0.6 -0.980 16.8-159.5-133.0 114.3 6.5 -3.3 49.6 11 20 A A E -ab 39 84A 0 27,-2.1 29,-2.5 -2,-0.4 2,-0.7 -0.893 5.6-169.4-101.9 114.6 4.8 -0.8 47.3 12 21 A V E +ab 40 85A 0 72,-3.9 74,-2.6 -2,-0.6 2,-0.2 -0.870 41.4 92.5-109.4 101.9 2.7 -2.4 44.5 13 22 A Q E S-a 41 0A 8 27,-1.0 29,-1.1 -2,-0.7 30,-0.3 -0.921 70.3 -38.3-164.8-172.7 1.6 0.1 41.9 14 23 A S E - 0 0 10 -2,-0.2 9,-2.9 27,-0.2 10,-0.5 -0.137 42.4-160.3 -63.7 157.4 2.3 1.9 38.6 15 24 A Q E -a 44 0A 26 28,-1.8 30,-1.4 7,-0.2 2,-0.4 -0.998 2.9-164.3-140.6 134.4 5.7 3.0 37.4 16 25 A V E -a 45 0A 11 5,-0.4 30,-0.2 -2,-0.3 31,-0.1 -0.967 23.6-144.5-125.5 142.3 6.6 5.6 34.7 17 26 A V S S+ 0 0 16 28,-1.9 2,-0.4 -2,-0.4 292,-0.4 0.903 100.0 27.5 -65.0 -41.3 9.8 6.3 32.9 18 27 A Y S S+ 0 0 2 28,-3.3 -1,-0.2 27,-0.2 30,-0.2 -0.983 106.7 40.8-124.3 128.2 8.9 10.0 33.0 19 28 A G S S- 0 0 10 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.2 -0.519 76.6 -91.7 126.4 165.4 6.8 11.5 35.8 20 29 A S S S+ 0 0 12 -2,-0.2 2,-0.3 193,-0.2 239,-0.2 -0.435 77.5 107.0-115.7 58.5 6.1 11.6 39.5 21 30 A V > + 0 0 11 -2,-0.3 3,-1.5 -5,-0.1 -5,-0.4 -0.838 69.3 0.9-128.9 166.9 3.3 9.0 39.9 22 31 A G T >> S- 0 0 0 -2,-0.3 4,-2.4 1,-0.3 3,-1.6 -0.158 130.1 -17.3 55.8-148.1 3.1 5.5 41.3 23 32 A N H 3> S+ 0 0 6 -9,-2.9 4,-1.7 1,-0.3 -1,-0.3 0.651 128.1 77.8 -63.4 -12.6 6.3 4.1 42.7 24 33 A S H <4 S+ 0 0 39 -3,-1.5 -1,-0.3 -10,-0.5 -2,-0.2 0.851 112.8 19.2 -65.3 -31.7 8.1 6.7 40.8 25 34 A I H <> S+ 0 0 4 -3,-1.6 4,-1.5 -4,-0.3 -2,-0.2 0.740 123.1 59.2-105.2 -34.2 7.2 9.2 43.4 26 35 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.887 101.1 52.6 -65.8 -42.1 6.4 6.9 46.3 27 36 A V H X S+ 0 0 27 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.961 110.2 45.9 -62.4 -52.3 9.7 5.2 46.6 28 37 A P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.866 113.2 52.5 -58.5 -34.3 11.8 8.3 46.9 29 38 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.906 108.6 49.0 -66.9 -42.7 9.3 9.7 49.4 30 39 A I H <>S+ 0 0 0 -4,-2.5 5,-1.3 1,-0.2 3,-0.5 0.844 108.0 55.6 -64.6 -35.0 9.6 6.5 51.5 31 40 A K H ><5S+ 0 0 98 -4,-2.2 3,-3.2 1,-0.2 -2,-0.2 0.946 99.4 59.2 -62.9 -48.0 13.4 6.8 51.3 32 41 A Q H 3<5S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.737 102.2 55.3 -51.5 -28.0 13.2 10.4 52.8 33 42 A N T 3<5S- 0 0 15 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.213 122.7-110.2 -90.0 12.5 11.5 8.9 55.8 34 43 A G T < 5S+ 0 0 62 -3,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.925 74.7 130.6 59.9 48.1 14.5 6.5 56.2 35 44 A L < - 0 0 10 -5,-1.3 2,-0.3 -4,-0.2 -1,-0.2 -0.957 53.0-128.3-131.6 148.8 12.6 3.4 55.2 36 45 A N + 0 0 89 -2,-0.3 -27,-2.0 2,-0.0 -28,-1.0 -0.710 29.7 179.8 -95.9 149.3 13.4 0.6 52.7 37 46 A V E -a 9 0A 14 -2,-0.3 2,-0.5 -30,-0.2 -27,-0.2 -1.000 25.5-145.5-149.6 147.5 11.0 -0.5 50.1 38 47 A F E -a 10 0A 15 -29,-1.4 -27,-2.1 -2,-0.3 2,-0.6 -0.972 22.5-147.8-112.8 127.1 10.6 -2.9 47.2 39 48 A A E -a 11 0A 20 -2,-0.5 -27,-0.2 248,-0.4 -2,-0.0 -0.857 11.3-170.2-100.0 120.3 8.6 -1.6 44.3 40 49 A V E -a 12 0A 0 -29,-2.5 -27,-1.0 -2,-0.6 2,-0.2 -0.926 19.1-143.3-108.9 108.0 6.6 -4.1 42.3 41 50 A P E -a 13 0A 0 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 -0.521 20.2-174.3 -75.4 136.8 5.2 -2.4 39.2 42 51 A T E S+ 0 0 0 -29,-1.1 17,-3.4 1,-0.3 2,-0.3 0.720 80.5 15.0 -96.6 -30.9 1.7 -3.3 37.9 43 52 A V E - C 0 58A 7 -30,-0.3 -28,-1.8 15,-0.3 2,-0.5 -0.993 63.3-153.0-142.1 146.1 2.1 -1.1 34.7 44 53 A L E +aC 15 57A 0 13,-2.9 13,-0.6 -2,-0.3 -28,-0.2 -0.717 28.4 168.6-125.4 84.1 5.1 0.4 33.0 45 54 A L E -aC 16 56A 19 -30,-1.4 -28,-1.9 -2,-0.5 11,-0.2 -0.382 42.4-127.7 -90.1 166.8 4.1 3.5 31.1 46 55 A S S S- 0 0 0 9,-1.9 -28,-3.3 1,-0.3 2,-0.2 0.950 87.6 -28.3 -74.6 -52.7 6.2 6.2 29.5 47 56 A N S S- 0 0 0 8,-0.2 -1,-0.3 -30,-0.2 -28,-0.1 -0.806 90.8 -57.9-148.0-177.4 4.2 9.0 31.3 48 57 A T > - 0 0 9 -2,-0.2 3,-1.4 -30,-0.2 5,-0.1 -0.494 46.2-118.7 -74.4 143.5 0.7 9.5 32.6 49 58 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.514 102.3 87.8 -59.0 -3.6 -2.2 9.1 30.1 50 59 A H T 3 S+ 0 0 123 3,-0.0 2,-0.2 2,-0.0 4,-0.1 0.409 79.1 80.0 -77.2 3.7 -3.1 12.7 30.8 51 60 A Y S < S- 0 0 59 -3,-1.4 293,-0.0 2,-0.2 -4,-0.0 -0.575 96.2-105.5-105.6 171.3 -0.6 13.6 28.1 52 61 A D S S+ 0 0 158 -2,-0.2 2,-0.3 291,-0.1 -1,-0.1 0.914 105.0 26.7 -60.9 -44.8 -1.0 13.7 24.3 53 62 A T + 0 0 30 -5,-0.1 2,-0.3 287,-0.1 -2,-0.2 -0.833 63.6 164.9-121.8 158.5 1.1 10.6 24.0 54 63 A F - 0 0 99 -2,-0.3 2,-0.3 -8,-0.1 283,-0.1 -0.897 10.2-167.8-168.5 141.2 1.9 7.6 26.2 55 64 A Y + 0 0 44 -2,-0.3 -9,-1.9 281,-0.1 2,-0.2 -0.939 43.0 49.4-135.6 159.4 3.5 4.2 25.7 56 65 A G E -C 45 0A 20 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.662 54.6-154.9 110.3-170.6 3.8 0.9 27.6 57 66 A G E -C 44 0A 16 -13,-0.6 -13,-2.9 -2,-0.2 2,-0.2 -0.894 34.8 -20.9-172.5-155.7 1.3 -1.2 29.5 58 67 A A E -C 43 0A 40 -15,-0.3 -15,-0.3 -2,-0.3 -16,-0.1 -0.468 62.7-111.0 -75.6 144.5 0.3 -3.7 32.2 59 68 A I - 0 0 1 -17,-3.4 30,-0.1 -2,-0.2 -1,-0.1 -0.640 45.6-100.3 -75.2 130.3 3.0 -6.0 33.5 60 69 A P > - 0 0 52 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.159 27.3-116.6 -49.6 142.5 2.3 -9.6 32.3 61 70 A D H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.852 114.8 51.1 -51.8 -40.2 0.7 -11.8 34.9 62 71 A E H > S+ 0 0 144 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 112.8 46.0 -66.7 -37.4 3.7 -14.2 35.0 63 72 A W H > S+ 0 0 32 -3,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.976 115.4 45.0 -67.4 -53.9 6.1 -11.3 35.6 64 73 A F H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.888 113.7 50.4 -54.8 -47.5 3.9 -9.7 38.3 65 74 A S H X S+ 0 0 24 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.910 113.1 47.8 -57.8 -44.9 3.3 -13.0 39.9 66 75 A G H X S+ 0 0 0 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.903 101.9 60.1 -64.7 -46.6 7.1 -13.7 39.9 67 76 A Y H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.892 112.0 42.6 -49.7 -42.7 8.2 -10.3 41.3 68 77 A L H X S+ 0 0 2 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.943 115.1 46.6 -70.2 -49.6 6.2 -11.1 44.4 69 78 A R H >X S+ 0 0 89 -4,-2.1 4,-2.8 1,-0.2 3,-0.6 0.859 108.8 59.0 -61.2 -35.4 7.2 -14.8 44.7 70 79 A A H 3X S+ 0 0 1 -4,-3.8 4,-2.2 1,-0.2 5,-0.3 0.918 97.2 58.2 -60.8 -44.4 10.8 -13.6 44.1 71 80 A L H 3<>S+ 0 0 0 -4,-1.5 5,-2.1 -5,-0.3 6,-0.3 0.812 113.1 42.1 -56.7 -27.5 10.7 -11.3 47.2 72 81 A Q H X<5S+ 0 0 72 -4,-0.9 3,-1.3 -3,-0.6 -2,-0.2 0.922 112.5 49.3 -83.4 -49.3 9.9 -14.5 49.1 73 82 A E H 3<5S+ 0 0 81 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.726 112.2 51.7 -62.1 -22.4 12.4 -16.9 47.5 74 83 A R T 3<5S- 0 0 23 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.588 106.5-134.5 -87.4 -16.7 15.0 -14.2 48.0 75 84 A D T < 5 + 0 0 59 -3,-1.3 3,-0.2 -5,-0.3 -71,-0.2 0.955 60.5 136.5 59.6 52.6 14.0 -14.0 51.7 76 85 A A < + 0 0 0 -5,-2.1 -69,-0.8 1,-0.1 3,-0.3 0.154 49.5 80.5-112.7 16.0 14.0 -10.2 51.7 77 86 A L > + 0 0 10 -6,-0.3 3,-1.1 -5,-0.2 -1,-0.1 0.106 53.5 110.7-108.9 19.7 10.8 -9.9 53.7 78 87 A R T 3 S+ 0 0 124 1,-0.2 -1,-0.2 -3,-0.2 -72,-0.1 0.758 88.7 35.6 -63.4 -27.1 12.4 -10.5 57.1 79 88 A Q T 3 S+ 0 0 108 -3,-0.3 -1,-0.2 -72,-0.2 2,-0.1 0.216 84.8 143.4-112.5 12.6 11.7 -6.9 58.0 80 89 A L < + 0 0 13 -3,-1.1 -72,-0.2 1,-0.2 -71,-0.2 -0.323 9.2 156.7 -59.7 125.1 8.4 -6.5 56.2 81 90 A R + 0 0 110 -73,-2.9 31,-0.9 1,-0.4 2,-0.3 0.492 61.9 11.5-126.9 -10.5 6.0 -4.3 58.2 82 91 A A E -bd 9 112A 0 -74,-1.4 -72,-1.0 29,-0.2 2,-0.4 -0.972 50.4-154.1-167.7 153.1 3.6 -3.0 55.5 83 92 A V E -bd 10 113A 0 29,-1.7 31,-2.7 -2,-0.3 2,-0.4 -0.988 14.8-162.5-135.9 121.7 2.4 -3.5 51.9 84 93 A T E -bd 11 114A 6 -74,-2.4 -72,-3.9 -2,-0.4 2,-0.4 -0.851 0.4-162.2-108.4 140.0 0.8 -0.6 49.9 85 94 A T E +bd 12 115A 5 29,-2.0 31,-2.3 -2,-0.4 -72,-0.2 -0.981 18.9 157.9-121.5 133.3 -1.1 -1.1 46.7 86 95 A G + 0 0 0 -74,-2.6 32,-0.2 -2,-0.4 -73,-0.1 -0.150 55.1 6.1-123.6-139.9 -1.9 1.7 44.3 87 96 A Y S S- 0 0 66 -2,-0.1 -45,-0.3 -73,-0.1 -1,-0.3 -0.258 71.1-162.0 -49.5 115.7 -2.8 2.0 40.6 88 97 A M - 0 0 0 30,-0.3 41,-0.3 -75,-0.1 3,-0.1 -0.601 14.5-149.9 -97.5 165.0 -3.3 -1.7 39.5 89 98 A G S S+ 0 0 10 1,-0.3 2,-0.3 -2,-0.2 40,-0.1 0.815 71.0 6.1-104.1 -41.8 -3.3 -2.8 35.9 90 99 A T > - 0 0 23 1,-0.1 4,-1.4 -31,-0.1 -1,-0.3 -0.932 63.3-119.7-140.3 164.8 -5.7 -5.8 35.7 91 100 A A H > S+ 0 0 18 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.822 116.4 60.8 -72.6 -29.0 -8.1 -7.6 38.0 92 101 A S H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.825 102.3 52.5 -64.5 -30.9 -5.9 -10.7 37.4 93 102 A Q H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.896 110.5 46.5 -70.3 -42.8 -3.0 -8.7 39.0 94 103 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.896 110.8 51.8 -67.6 -41.3 -5.2 -7.9 42.0 95 104 A K H X S+ 0 0 88 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.932 113.8 44.3 -60.5 -44.5 -6.3 -11.5 42.3 96 105 A I H X S+ 0 0 32 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 113.0 51.3 -65.1 -44.7 -2.6 -12.5 42.2 97 106 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.892 109.3 52.7 -59.1 -38.7 -1.6 -9.8 44.7 98 107 A A H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.925 107.8 47.8 -64.0 -49.8 -4.4 -11.0 47.0 99 108 A E H X S+ 0 0 113 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.912 111.3 52.7 -59.0 -42.7 -3.3 -14.6 47.1 100 109 A W H X S+ 0 0 17 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.940 111.3 46.9 -58.6 -46.3 0.3 -13.4 47.7 101 110 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.906 106.0 56.2 -64.8 -40.5 -0.9 -11.3 50.6 102 111 A T H X S+ 0 0 63 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.818 109.1 50.6 -61.1 -25.7 -3.0 -14.1 52.1 103 112 A A H >< S+ 0 0 33 -4,-1.4 3,-1.1 -3,-0.4 4,-0.5 0.919 105.7 53.4 -76.7 -45.0 0.2 -16.1 52.2 104 113 A L H >X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.3 3,-1.1 0.788 95.5 69.3 -60.6 -31.1 2.2 -13.4 53.9 105 114 A R H 3< S+ 0 0 69 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.862 90.3 63.2 -55.8 -35.8 -0.4 -13.2 56.7 106 115 A K T << S+ 0 0 163 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.789 119.6 22.9 -60.2 -31.0 0.7 -16.7 57.9 107 116 A D T <4 S+ 0 0 94 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.295 132.4 42.7-117.5 3.6 4.2 -15.4 58.7 108 117 A H >< + 0 0 32 -4,-1.1 3,-2.1 -3,-0.3 -2,-0.2 -0.402 61.9 158.6-147.1 59.9 3.4 -11.7 59.1 109 118 A P T 3 S+ 0 0 95 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.782 77.5 54.2 -57.6 -30.1 0.1 -11.7 61.1 110 119 A D T 3 S+ 0 0 156 -3,-0.1 -5,-0.1 2,-0.1 -29,-0.0 0.489 82.9 142.3 -85.1 1.4 0.7 -8.1 62.3 111 120 A L < - 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