==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-03 1P42 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR D.A.WHITTINGTON,K.M.RUSCHE,H.SHIN,C.A.FIERKE,D.W.CHRISTIANSO . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 8 1.5 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 . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0 0 1 0 2 3 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 2 2 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 4 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 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 G 0 0 46 0, 0.0 119,-3.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 154.6 25.9 45.1 13.6 2 3 A L E -A 119 0A 79 117,-0.3 117,-0.2 1,-0.1 115,-0.1 -0.605 360.0-100.4 -88.5 148.5 28.2 42.2 14.4 3 4 A E E - 0 0 11 115,-3.1 113,-2.8 -2,-0.2 2,-0.3 -0.212 43.4-156.5 -59.4 155.7 32.0 42.5 14.9 4 5 A K E +A 115 0A 30 78,-0.3 81,-2.2 111,-0.2 80,-1.9 -0.974 21.2 171.3-140.8 153.8 34.1 41.6 11.9 5 6 A T E -A 114 0A 3 109,-2.1 109,-2.5 -2,-0.3 2,-0.3 -0.680 45.0 -77.3-139.3-169.7 37.6 40.5 11.0 6 7 A V E -A 113 0A 0 79,-0.4 107,-0.2 -2,-0.2 3,-0.1 -0.760 27.2-131.1-100.4 149.0 39.2 39.3 7.8 7 8 A K S S- 0 0 119 105,-2.8 2,-0.3 -2,-0.3 -1,-0.1 0.833 87.3 -8.0 -63.9 -33.9 38.7 35.7 6.4 8 9 A E S S- 0 0 118 104,-0.3 -1,-0.1 19,-0.1 19,-0.1 -0.954 95.1 -61.5-155.4 169.9 42.4 35.3 5.9 9 10 A K - 0 0 140 -2,-0.3 2,-0.4 -3,-0.1 19,-0.2 -0.313 48.4-161.7 -58.9 137.7 45.7 37.2 6.0 10 11 A L E -B 27 0B 17 17,-1.6 17,-3.6 2,-0.0 2,-0.4 -0.972 3.4-160.8-123.9 138.7 45.9 40.1 3.6 11 12 A S E +B 26 0B 71 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.932 12.5 173.9-125.3 147.5 49.2 41.8 2.5 12 13 A F E -B 25 0B 9 13,-1.5 13,-3.3 -2,-0.4 2,-0.3 -0.972 8.2-179.5-143.1 150.8 50.0 45.1 0.9 13 14 A E E +B 24 0B 100 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 18.5 107.1-153.6 158.8 53.4 46.7 0.1 14 15 A G E -B 23 0B 20 9,-2.2 9,-2.2 -2,-0.3 2,-0.1 -0.925 62.9 -43.6 157.7-179.4 55.0 49.8 -1.3 15 16 A V E -B 22 0B 51 -2,-0.3 82,-2.3 7,-0.2 83,-0.6 -0.363 51.4-120.8 -74.8 153.7 56.9 53.0 -0.5 16 17 A G > - 0 0 0 5,-1.9 4,-1.9 80,-0.2 5,-0.1 -0.811 16.9-133.5 -93.7 136.8 55.9 55.2 2.4 17 18 A I T 4 S+ 0 0 17 78,-0.4 179,-2.6 -2,-0.4 180,-0.8 0.841 101.6 31.0 -60.5 -33.1 55.0 58.7 1.3 18 19 A H T 4 S+ 0 0 15 176,-0.2 177,-2.1 177,-0.2 -1,-0.2 0.883 125.2 38.3 -93.5 -42.6 57.1 60.3 4.1 19 20 A T T 4 S- 0 0 31 176,-0.2 -2,-0.2 175,-0.1 3,-0.1 0.780 87.0-142.5 -79.4 -27.7 60.0 57.9 4.7 20 21 A G < + 0 0 35 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.597 60.7 127.3 74.1 8.7 60.5 57.0 1.0 21 22 A E - 0 0 90 -5,-0.1 -5,-1.9 1,-0.1 -1,-0.3 -0.637 67.4-105.7 -98.5 157.1 61.2 53.5 2.3 22 23 A Y E +B 15 0B 133 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.579 44.4 174.0 -78.7 140.2 59.6 50.3 1.3 23 24 A S E -B 14 0B 1 -9,-2.2 -9,-2.2 -2,-0.2 2,-0.4 -0.975 16.3-151.6-145.2 158.2 57.2 48.8 3.8 24 25 A K E -BC 13 91B 57 67,-1.6 67,-2.5 -2,-0.3 2,-0.4 -0.983 2.7-153.4-135.5 148.2 54.8 45.9 4.0 25 26 A L E -BC 12 90B 0 -13,-3.3 -13,-1.5 -2,-0.4 2,-0.4 -0.904 6.0-171.2-119.9 146.6 51.6 45.1 5.8 26 27 A I E -BC 11 89B 32 63,-1.7 63,-2.9 -2,-0.4 2,-0.7 -0.963 14.2-154.2-135.9 112.6 50.1 41.8 6.8 27 28 A I E -BC 10 88B 0 -17,-3.6 -17,-1.6 -2,-0.4 61,-0.2 -0.835 16.1-162.5 -93.1 114.3 46.5 42.1 8.1 28 29 A H E - C 0 87B 35 59,-3.3 59,-2.0 -2,-0.7 -22,-0.1 -0.772 18.9-115.7-101.6 141.6 45.8 39.2 10.5 29 30 A P E - C 0 86B 49 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.373 34.2-169.5 -69.3 152.8 42.4 38.0 11.7 30 31 A E - 0 0 47 55,-0.9 55,-0.1 -24,-0.1 3,-0.1 -0.980 21.3-104.9-142.5 152.9 41.7 38.3 15.4 31 32 A K > - 0 0 157 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.169 55.9 -63.3 -73.7 169.3 38.9 37.0 17.7 32 33 A E T 3 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.1 -27,-0.0 -0.113 119.6 20.8 -51.5 144.5 36.0 39.0 19.1 33 34 A G T 3 S+ 0 0 52 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.481 89.3 111.7 75.2 2.7 36.8 41.8 21.4 34 35 A T < - 0 0 38 -3,-1.5 51,-0.1 1,-0.1 -2,-0.1 0.917 59.5-160.4 -74.4 -44.0 40.4 42.2 20.2 35 36 A G - 0 0 21 -4,-0.3 51,-1.5 49,-0.1 2,-0.5 -0.305 33.7 -51.4 88.5-179.8 40.0 45.6 18.6 36 37 A I E +d 86 0B 17 49,-0.2 11,-2.6 202,-0.2 2,-0.3 -0.836 66.8 154.8 -97.8 127.9 42.3 47.2 15.9 37 38 A R E -dE 87 46B 65 49,-1.8 51,-2.8 -2,-0.5 2,-0.3 -0.982 34.1-129.9-149.0 158.1 46.0 47.3 16.6 38 39 A F E -dE 88 45B 0 7,-3.2 7,-2.8 -2,-0.3 2,-0.4 -0.690 15.4-151.5-104.1 161.8 49.3 47.4 14.8 39 40 A F E +dE 89 44B 49 49,-2.2 51,-3.0 -2,-0.3 2,-0.3 -0.985 21.1 163.8-137.7 123.7 52.3 45.1 15.4 40 41 A K E > - E 0 43B 13 3,-2.4 3,-2.6 -2,-0.4 51,-0.1 -0.986 67.1 -16.6-144.7 130.7 55.9 46.2 14.8 41 42 A N T 3 S- 0 0 121 49,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.870 129.5 -47.7 43.4 48.4 59.1 44.6 16.0 42 43 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.474 115.6 113.5 76.9 3.8 57.3 42.7 18.7 43 44 A V E < -E 40 0B 29 -3,-2.6 -3,-2.4 20,-0.0 2,-0.5 -0.914 57.5-142.3-115.4 133.0 55.3 45.5 20.0 44 45 A Y E -E 39 0B 101 -2,-0.4 -5,-0.2 -5,-0.2 22,-0.1 -0.780 14.4-169.3 -90.7 127.7 51.5 45.9 19.8 45 46 A I E -E 38 0B 0 -7,-2.8 -7,-3.2 -2,-0.5 18,-0.1 -0.926 17.8-138.4-119.1 105.3 50.3 49.5 19.2 46 47 A P E -E 37 0B 38 0, 0.0 2,-2.3 0, 0.0 -9,-0.3 -0.302 20.2-118.1 -61.2 144.0 46.5 49.9 19.6 47 48 A A S S+ 0 0 3 -11,-2.6 191,-0.4 191,-0.1 2,-0.3 -0.493 75.2 121.5 -81.7 69.8 44.8 52.1 17.0 48 49 A R S > S- 0 0 96 -2,-2.3 3,-2.3 189,-0.1 189,-0.2 -0.964 76.6-112.5-135.4 152.5 43.7 54.5 19.7 49 50 A H G > S+ 0 0 25 187,-2.4 3,-1.6 -2,-0.3 188,-0.1 0.739 108.5 71.7 -54.6 -28.1 44.3 58.2 20.4 50 51 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 186,-0.3 -3,-0.1 0.737 98.7 50.4 -62.6 -20.4 46.4 57.5 23.5 51 52 A F G < S+ 0 0 37 -3,-2.3 11,-2.2 -5,-0.2 -1,-0.3 0.360 77.5 121.3-101.4 6.6 49.2 56.3 21.1 52 53 A V E < +F 61 0C 21 -3,-1.6 9,-0.3 9,-0.2 3,-0.1 -0.514 26.6 167.0 -70.0 132.7 49.2 59.3 18.7 53 54 A V E + 0 0 64 7,-2.7 2,-0.3 1,-0.4 8,-0.2 0.481 62.9 21.3-124.0 -8.9 52.7 60.9 18.6 54 55 A H E +F 60 0C 46 6,-1.1 6,-2.7 1,-0.1 -1,-0.4 -0.963 45.3 163.4-160.5 141.0 52.6 63.1 15.5 55 56 A T + 0 0 25 -2,-0.3 198,-0.5 4,-0.2 197,-0.2 0.369 49.9 100.2-140.9 1.2 49.8 64.8 13.5 56 57 A N S S+ 0 0 111 1,-0.2 197,-0.2 196,-0.1 196,-0.1 0.928 106.7 1.3 -61.8 -50.2 51.4 67.6 11.4 57 58 A H S S- 0 0 57 1,-0.3 2,-0.3 195,-0.1 -1,-0.2 0.201 139.8 -2.4-125.1 16.8 51.7 65.9 8.0 58 59 A S S S- 0 0 0 2,-0.1 2,-0.7 14,-0.0 -1,-0.3 -0.912 80.5 -92.0 173.9 168.9 50.1 62.5 8.8 59 60 A T - 0 0 0 -2,-0.3 12,-2.4 -3,-0.1 13,-0.4 -0.925 47.4-174.0-104.4 114.9 48.7 60.6 11.8 60 61 A D E -F 54 0C 0 -6,-2.7 -7,-2.7 -2,-0.7 -6,-1.1 -0.896 8.8-160.0-115.1 143.3 51.5 58.6 13.5 61 62 A L E +FG 52 68C 0 7,-2.4 7,-2.8 -2,-0.4 2,-0.3 -0.814 12.7 172.3-117.0 157.1 51.2 56.2 16.4 62 63 A G E + G 0 67C 9 -11,-2.2 2,-0.3 -2,-0.3 5,-0.2 -0.989 10.4 173.1-162.4 154.3 53.9 54.9 18.7 63 69 A F E > - G 0 66C 86 3,-2.5 3,-2.1 -2,-0.3 -12,-0.0 -0.919 69.1 -2.8-164.4 137.6 54.4 52.8 21.8 64 70 A K T 3 S- 0 0 165 -2,-0.3 3,-0.1 1,-0.3 -19,-0.0 0.818 130.4 -46.8 48.1 42.7 57.4 51.5 23.7 65 71 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -22,-0.0 -1,-0.3 0.450 115.7 110.3 84.8 -2.0 60.0 52.9 21.3 66 72 A Q E < -G 63 0C 42 -3,-2.1 -3,-2.5 -22,-0.1 2,-0.3 -0.922 44.9-174.3-110.4 134.0 58.2 51.6 18.2 67 73 A R E -G 62 0C 118 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.941 13.4-167.4-129.1 149.6 56.5 54.1 15.8 68 74 A I E -G 61 0C 0 -7,-2.8 -7,-2.4 -2,-0.3 3,-0.3 -0.977 16.7-148.6-136.7 120.8 54.4 53.7 12.7 69 75 A K B +h 94 0D 29 24,-2.2 26,-2.3 -2,-0.4 -9,-0.2 -0.559 64.8 16.3 -92.6 154.4 53.7 56.7 10.4 70 76 A T + 0 0 6 -2,-0.2 4,-0.3 24,-0.2 3,-0.3 0.922 59.3 154.2 58.1 60.5 50.6 57.5 8.3 71 77 A V > + 0 0 0 -12,-2.4 4,-2.3 -3,-0.3 5,-0.3 0.533 44.9 97.7 -92.2 -5.7 47.9 55.2 9.6 72 78 A E H > S+ 0 0 9 -13,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.808 83.2 44.2 -54.6 -38.0 45.0 57.5 8.6 73 79 A H H > S+ 0 0 8 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.920 114.3 44.8 -78.1 -44.9 44.1 55.7 5.3 74 80 A I H > S+ 0 0 0 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.917 116.2 49.9 -65.4 -38.2 44.2 52.1 6.4 75 81 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.866 107.8 53.1 -67.4 -34.7 42.3 53.0 9.5 76 82 A S H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.919 109.4 48.3 -66.6 -42.3 39.6 54.9 7.5 77 83 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.906 111.8 49.3 -63.6 -41.7 39.0 51.9 5.3 78 84 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.3 0.870 112.4 49.0 -65.1 -35.7 38.7 49.6 8.3 79 85 A H H ><5S+ 0 0 6 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.940 110.1 50.5 -68.5 -46.9 36.3 52.1 9.9 80 86 A L H 3<5S+ 0 0 16 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.826 116.3 40.6 -61.1 -33.5 34.2 52.3 6.8 81 87 A L T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.413 109.3-126.0 -94.5 0.7 33.9 48.5 6.5 82 88 A E T < 5 + 0 0 38 -3,-1.1 2,-0.6 -4,-0.3 -78,-0.3 0.855 44.5 169.2 54.7 41.7 33.4 48.2 10.2 83 89 A I < + 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -78,-0.2 -0.752 4.1 174.5 -80.6 123.1 36.3 45.7 10.6 84 90 A T + 0 0 8 -80,-1.9 2,-0.5 -2,-0.6 -79,-0.2 0.664 56.4 47.1-108.4 -21.6 36.7 45.6 14.4 85 91 A N S S+ 0 0 2 -81,-2.2 -55,-0.9 -51,-0.1 -79,-0.4 -0.924 70.3 114.0-131.7 109.0 39.2 42.9 15.1 86 92 A V E -Cd 29 36B 0 -51,-1.5 -49,-1.8 -2,-0.5 2,-0.5 -0.972 48.5-133.7-163.5 156.9 42.5 42.7 13.3 87 93 A T E -Cd 28 37B 5 -59,-2.0 -59,-3.3 -2,-0.3 2,-0.9 -0.981 16.6-154.2-118.2 123.4 46.3 43.0 13.8 88 94 A I E -Cd 27 38B 0 -51,-2.8 -49,-2.2 -2,-0.5 2,-0.4 -0.835 10.9-157.1-101.0 98.3 48.1 45.0 11.2 89 95 A E E -Cd 26 39B 47 -63,-2.9 -63,-1.7 -2,-0.9 2,-0.5 -0.610 7.9-161.0 -76.1 128.7 51.7 43.8 11.2 90 96 A V E -C 25 0B 4 -51,-3.0 2,-0.8 -2,-0.4 -49,-0.4 -0.955 15.7-172.6-118.6 119.9 54.0 46.4 9.8 91 97 A I E S+C 24 0B 90 -67,-2.5 -67,-1.6 -2,-0.5 2,-0.3 -0.866 72.7 30.1-107.4 91.0 57.5 45.5 8.5 92 98 A G S S- 0 0 21 -2,-0.8 -69,-0.1 -69,-0.2 -2,-0.1 -0.898 98.8 -84.0 147.5-169.9 58.8 49.0 8.0 93 99 A N S S+ 0 0 70 -2,-0.3 -24,-2.2 -71,-0.2 2,-0.3 0.339 100.5 30.6-113.8 6.2 58.3 52.4 9.6 94 100 A E B S-h 69 0D 0 -26,-0.3 -24,-0.2 -72,-0.1 -1,-0.1 -0.990 83.8 -97.3-160.2 155.1 55.2 53.6 7.8 95 101 A I - 0 0 4 -26,-2.3 -78,-0.4 -2,-0.3 -82,-0.1 -0.596 54.0-101.6 -75.5 135.1 52.0 52.4 6.1 96 102 A P - 0 0 3 0, 0.0 -80,-0.2 0, 0.0 -81,-0.1 -0.332 24.9-149.6 -57.8 138.3 52.5 52.1 2.3 97 103 A I > + 0 0 6 -82,-2.3 3,-2.4 1,-0.2 4,-0.2 0.757 25.5 177.6 -82.2 -24.7 50.8 55.1 0.6 98 104 A L T 3 S- 0 0 34 -83,-0.6 -1,-0.2 1,-0.3 -83,-0.1 -0.361 72.3 -16.3 55.0-126.5 50.0 53.1 -2.6 99 105 A D T 3 S- 0 0 40 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.384 99.9 -99.6 -89.8 7.4 48.1 55.5 -4.9 100 106 A G S < S+ 0 0 0 -3,-2.4 78,-1.4 1,-0.4 2,-0.2 0.369 97.3 77.6 95.0 -6.1 47.3 58.0 -2.2 101 107 A S S S- 0 0 2 76,-0.2 -1,-0.4 -4,-0.2 4,-0.2 -0.499 88.1-108.0-120.2-169.5 43.7 56.8 -1.6 102 108 A G S > S+ 0 0 0 72,-1.5 4,-3.1 71,-0.2 5,-0.2 0.335 82.3 109.5-105.1 7.9 42.1 53.9 0.2 103 109 A W H > S+ 0 0 82 71,-1.0 4,-2.9 1,-0.2 5,-0.3 0.905 77.8 43.2 -49.2 -59.3 41.0 52.1 -3.0 104 110 A E H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.920 117.5 47.3 -57.5 -44.8 43.4 49.1 -2.9 105 111 A F H > S+ 0 0 3 -4,-0.2 4,-2.5 1,-0.2 5,-0.3 0.942 114.0 48.9 -59.2 -49.3 42.8 48.6 0.8 106 112 A Y H X S+ 0 0 13 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.918 110.6 47.7 -58.2 -51.4 39.1 48.9 0.4 107 113 A E H X S+ 0 0 31 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.909 116.1 44.1 -60.0 -43.5 38.7 46.4 -2.6 108 114 A A H < S+ 0 0 29 -4,-1.9 3,-0.3 -5,-0.3 4,-0.2 0.937 117.8 41.2 -68.7 -49.4 40.8 43.7 -0.9 109 115 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.2 -102,-0.2 0.882 108.7 59.8 -67.8 -39.4 39.4 43.9 2.6 110 116 A R H >< S+ 0 0 80 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.823 105.0 50.5 -58.8 -32.8 35.7 44.3 1.4 111 117 A K T 3< S+ 0 0 125 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.507 112.1 49.3 -83.5 -5.7 36.0 40.9 -0.4 112 118 A N T < S+ 0 0 29 -3,-1.7 -105,-2.8 -4,-0.2 -104,-0.3 -0.041 74.2 142.5-125.9 33.8 37.4 39.2 2.7 113 120 A I E < -A 6 0A 40 -3,-0.7 2,-0.5 -107,-0.2 -107,-0.2 -0.521 28.0-167.7 -78.6 139.8 35.0 40.2 5.5 114 121 A L E -A 5 0A 82 -109,-2.5 -109,-2.1 -2,-0.2 2,-0.1 -0.965 14.3-141.1-129.3 113.7 34.2 37.6 8.2 115 122 A N E -A 4 0A 97 -2,-0.5 -111,-0.2 -111,-0.2 2,-0.2 -0.460 23.4-157.2 -71.8 148.0 31.3 38.3 10.6 116 123 A Q E - 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