==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-06 2J65 . COMPND 2 MOLECULE: UDP-3-O-[3-HYDROXYMYRISTOYL] N-ACETYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR L.BUETOW,A.DAWSON,W.N.HUNTER . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 7.7 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 . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 17.0 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 2 0 2 1 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 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 41 0, 0.0 119,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.2 25.1 42.7 -5.3 2 3 A L E -A 119 0A 81 117,-0.2 117,-0.2 1,-0.1 115,-0.1 -0.643 360.0 -97.3 -88.0 147.4 28.8 42.3 -6.1 3 4 A E E - 0 0 20 115,-2.8 113,-2.7 -2,-0.3 2,-0.3 -0.237 46.8-158.1 -53.8 146.0 30.5 39.0 -6.8 4 5 A K E +A 115 0A 23 78,-0.4 81,-2.0 111,-0.2 80,-1.9 -0.968 20.5 170.9-135.8 150.5 32.3 37.6 -3.7 5 6 A T E -A 114 0A 3 109,-2.2 109,-2.6 -2,-0.3 2,-0.3 -0.681 43.1 -80.7-134.3-170.2 35.0 35.2 -2.9 6 7 A V E -A 113 0A 1 79,-0.4 107,-0.2 -2,-0.2 24,-0.1 -0.760 26.4-132.9 -98.4 151.3 36.9 34.3 0.3 7 8 A K S S- 0 0 125 105,-1.9 2,-0.3 -2,-0.3 106,-0.1 0.733 84.9 -8.9 -71.6 -26.4 39.8 36.4 1.7 8 9 A E S S- 0 0 121 104,-0.3 2,-0.2 19,-0.1 -1,-0.1 -0.954 94.2 -59.4-158.9 172.0 42.0 33.3 2.3 9 10 A K - 0 0 139 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.410 48.2-161.3 -60.5 129.4 42.0 29.5 2.2 10 11 A L E -B 27 0B 17 17,-1.5 17,-2.8 -2,-0.2 2,-0.3 -0.961 3.5-153.1-118.5 135.8 39.5 28.0 4.7 11 12 A S E +B 26 0B 73 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.868 16.2 171.4-114.3 144.3 39.7 24.3 5.9 12 13 A F E +B 25 0B 9 13,-1.9 13,-3.5 -2,-0.3 2,-0.3 -0.985 7.5 174.7-143.9 146.4 37.1 21.9 7.1 13 14 A E E +B 24 0B 97 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.998 15.9 102.9-153.4 151.8 37.4 18.1 7.9 14 15 A G E -B 23 0B 11 9,-1.8 9,-2.4 -2,-0.3 2,-0.1 -0.939 63.6 -39.5 165.4-175.9 35.5 15.2 9.3 15 16 A V E -B 22 0B 51 -2,-0.3 82,-2.1 7,-0.2 83,-0.6 -0.366 51.9-125.2 -65.5 144.7 33.5 12.0 8.6 16 17 A G > - 0 0 0 5,-2.2 4,-1.7 80,-0.3 5,-0.1 -0.803 17.1-132.0 -90.0 138.0 31.2 11.9 5.6 17 18 A I T 4 S+ 0 0 16 78,-0.4 179,-2.4 -2,-0.4 180,-0.7 0.802 100.0 31.4 -64.0 -31.2 27.6 10.9 6.6 18 19 A H T 4 S+ 0 0 15 176,-0.2 177,-1.8 177,-0.2 -1,-0.2 0.852 123.8 39.9 -95.8 -41.6 27.2 8.2 3.8 19 20 A T T 4 S- 0 0 27 2,-0.2 -2,-0.2 176,-0.1 3,-0.1 0.736 87.9-140.2 -82.7 -25.5 30.7 6.9 3.2 20 21 A G < + 0 0 37 -4,-1.7 2,-0.3 1,-0.3 -3,-0.1 0.574 62.3 126.4 72.7 9.9 31.8 6.7 6.9 21 22 A E - 0 0 90 -5,-0.1 -5,-2.2 -7,-0.0 2,-0.3 -0.696 66.1-112.6-101.4 151.3 35.2 8.0 5.6 22 23 A Y E +B 15 0B 145 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.637 41.1 175.6 -78.8 133.3 37.2 11.0 6.7 23 24 A S E -B 14 0B 3 -9,-2.4 -9,-1.8 -2,-0.3 2,-0.4 -0.899 18.8-139.6-135.6 167.6 37.6 13.7 4.1 24 25 A K E -BC 13 91B 62 67,-2.0 67,-3.0 -2,-0.3 2,-0.4 -0.989 7.1-154.4-136.1 142.7 39.1 17.2 4.0 25 26 A L E -BC 12 90B 0 -13,-3.5 -13,-1.9 -2,-0.4 2,-0.5 -0.946 7.9-175.8-120.0 129.9 37.9 20.5 2.4 26 27 A I E -BC 11 89B 27 63,-2.4 63,-2.9 -2,-0.4 2,-0.6 -0.970 12.8-155.9-125.0 116.8 40.0 23.4 1.2 27 28 A I E -BC 10 88B 0 -17,-2.8 -17,-1.5 -2,-0.5 61,-0.2 -0.825 15.1-162.9 -95.2 118.0 38.1 26.4 -0.0 28 29 A H E - C 0 87B 38 59,-3.0 59,-2.0 -2,-0.6 -19,-0.1 -0.848 19.2-116.7-106.2 135.3 40.2 28.5 -2.4 29 30 A P E - C 0 86B 51 0, 0.0 2,-0.3 0, 0.0 57,-0.2 -0.334 34.5-172.2 -58.4 144.6 39.7 32.2 -3.5 30 31 A E - 0 0 50 55,-1.0 55,-0.1 -24,-0.1 3,-0.1 -0.968 21.3-105.8-139.2 157.4 39.1 32.6 -7.3 31 32 A K > - 0 0 152 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.198 55.3 -59.7 -78.7 171.5 38.8 35.7 -9.5 32 33 A E T 3 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.1 53,-0.0 -0.151 119.8 18.4 -50.2 136.6 35.7 37.3 -11.1 33 34 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.2 85,-0.1 -2,-0.1 0.484 87.3 113.2 79.7 5.2 33.7 35.1 -13.4 34 35 A T < - 0 0 40 -3,-1.5 51,-0.1 1,-0.1 -2,-0.1 0.865 59.7-158.2 -73.5 -37.5 35.1 31.7 -12.2 35 36 A G - 0 0 25 49,-0.3 51,-1.3 -4,-0.2 2,-0.5 -0.282 35.8 -50.6 82.9-177.9 31.8 30.4 -10.7 36 37 A I E +d 86 0B 20 202,-0.2 11,-2.6 49,-0.2 2,-0.3 -0.853 67.3 162.6 -95.4 128.4 31.6 27.7 -8.0 37 38 A R E -dE 87 46B 55 49,-2.0 51,-2.8 -2,-0.5 2,-0.3 -0.984 31.1-134.8-142.6 152.5 33.5 24.5 -8.7 38 39 A F E -dE 88 45B 0 7,-3.2 7,-2.6 -2,-0.3 2,-0.4 -0.706 17.2-153.3 -97.6 156.8 34.7 21.5 -6.9 39 40 A F E +dE 89 44B 44 49,-2.6 51,-3.0 -2,-0.3 2,-0.3 -0.996 21.6 159.7-135.6 130.7 38.2 20.1 -7.4 40 41 A K E > - E 0 43B 9 3,-2.3 3,-2.0 -2,-0.4 51,-0.1 -0.929 66.1 -15.3-156.4 124.5 39.2 16.4 -6.9 41 42 A N T 3 S- 0 0 120 49,-0.3 3,-0.1 -2,-0.3 50,-0.0 0.898 129.1 -47.7 46.9 50.0 42.1 14.3 -8.1 42 43 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.458 115.8 115.1 76.2 2.3 43.0 16.8 -10.8 43 44 A V E < -E 40 0B 28 -3,-2.0 -3,-2.3 20,-0.0 2,-0.5 -0.913 55.5-146.8-112.3 128.8 39.4 17.2 -12.1 44 45 A Y E -E 39 0B 106 -2,-0.5 -5,-0.2 -5,-0.2 22,-0.1 -0.806 13.9-169.2 -87.0 123.0 37.3 20.4 -11.8 45 46 A I E -E 38 0B 0 -7,-2.6 -7,-3.2 -2,-0.5 18,-0.1 -0.932 17.3-137.1-113.4 106.0 33.6 19.7 -11.3 46 47 A P E -E 37 0B 38 0, 0.0 2,-2.1 0, 0.0 -9,-0.3 -0.297 20.2-118.3 -55.8 141.9 31.3 22.7 -11.8 47 48 A A S S+ 0 0 4 -11,-2.6 191,-0.4 191,-0.1 2,-0.3 -0.492 75.0 123.2 -79.0 65.8 28.5 23.1 -9.2 48 49 A R S > S- 0 0 101 -2,-2.1 3,-1.8 189,-0.1 189,-0.2 -0.915 76.1-112.0-130.5 157.7 25.9 22.9 -12.0 49 50 A H G > S+ 0 0 23 187,-2.0 3,-1.4 -2,-0.3 188,-0.1 0.749 109.2 69.3 -61.4 -27.3 22.9 20.6 -12.7 50 51 A E G 3 S+ 0 0 105 1,-0.2 -1,-0.3 186,-0.2 -3,-0.1 0.684 99.1 52.4 -62.7 -19.2 24.6 18.9 -15.8 51 52 A F G < S+ 0 0 39 -3,-1.8 11,-2.3 -5,-0.1 2,-0.3 0.358 76.8 120.1-104.1 4.3 27.0 17.3 -13.3 52 53 A V E < +F 61 0C 25 -3,-1.4 9,-0.3 9,-0.2 3,-0.1 -0.535 27.9 168.5 -70.6 130.1 24.5 15.7 -10.9 53 54 A V E + 0 0 65 7,-2.5 2,-0.3 1,-0.4 8,-0.2 0.554 63.4 17.5-117.5 -16.2 24.9 11.9 -10.8 54 55 A H E +F 60 0C 46 6,-1.0 6,-2.6 1,-0.1 -1,-0.4 -0.968 44.9 167.6-159.4 139.5 22.7 10.8 -7.8 55 56 A T + 0 0 25 -2,-0.3 198,-0.5 4,-0.2 197,-0.2 0.329 49.5 104.3-134.5 3.0 19.9 12.5 -5.8 56 57 A N S S- 0 0 110 1,-0.2 197,-0.2 196,-0.1 196,-0.2 0.931 105.1 -3.4 -59.5 -55.4 18.3 9.7 -3.7 57 58 A H S S+ 0 0 60 1,-0.2 2,-0.2 195,-0.1 -1,-0.2 0.099 139.7 2.4-127.9 21.4 19.7 10.4 -0.2 58 59 A S S S- 0 0 0 2,-0.0 2,-0.6 -3,-0.0 -1,-0.2 -0.883 82.0 -93.7 175.0 167.3 22.0 13.3 -1.0 59 60 A T - 0 0 0 -2,-0.2 12,-2.3 -3,-0.1 2,-0.4 -0.930 46.3-171.8-101.7 119.2 23.0 15.5 -4.0 60 61 A D E -F 54 0C 2 -6,-2.6 -7,-2.5 -2,-0.6 -6,-1.0 -0.921 7.8-158.7-117.3 143.1 26.1 14.0 -5.7 61 62 A L E +FG 52 68C 0 7,-2.5 7,-3.1 -2,-0.4 2,-0.3 -0.832 13.0 172.6-116.9 154.8 28.2 15.5 -8.5 62 63 A G E + G 0 67C 8 -11,-2.3 2,-0.3 -2,-0.3 5,-0.2 -0.988 10.2 171.1-161.3 153.1 30.6 13.9 -10.9 63 64 A F E > - G 0 66C 88 3,-2.1 3,-2.6 -2,-0.3 -12,-0.0 -0.942 69.8 -4.1-161.8 139.7 32.8 14.4 -14.0 64 65 A K T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -19,-0.0 0.786 131.2 -46.9 46.1 38.0 35.4 12.5 -15.9 65 66 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 -22,-0.0 -1,-0.3 0.406 114.3 111.5 91.0 -3.0 35.4 9.6 -13.4 66 67 A Q E < -G 63 0C 42 -3,-2.6 -3,-2.1 -22,-0.1 2,-0.3 -0.909 44.9-171.5-109.0 130.3 35.6 11.7 -10.2 67 68 A R E -G 62 0C 127 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.911 11.9-164.5-124.9 147.3 32.5 11.8 -7.9 68 69 A I E -G 61 0C 0 -7,-3.1 -7,-2.5 -2,-0.3 3,-0.3 -0.985 13.2-149.8-132.8 123.1 31.7 13.9 -4.8 69 70 A K B +h 94 0D 33 24,-2.1 26,-2.5 -2,-0.4 -9,-0.2 -0.637 66.7 14.6 -89.1 146.0 28.8 13.0 -2.4 70 71 A T + 0 0 5 -2,-0.3 3,-0.3 -11,-0.2 4,-0.3 0.916 60.1 154.2 68.7 57.2 26.7 15.3 -0.4 71 72 A V > + 0 0 0 -12,-2.3 4,-2.2 -3,-0.3 5,-0.2 0.523 46.0 95.2 -89.7 -6.8 27.2 18.8 -1.8 72 73 A E H > S+ 0 0 5 -13,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.809 83.8 45.4 -60.9 -36.1 23.9 20.3 -0.7 73 74 A H H > S+ 0 0 8 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.912 113.4 45.3 -79.5 -44.4 25.0 21.9 2.6 74 75 A I H > S+ 0 0 0 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.926 115.9 49.9 -62.6 -41.9 28.2 23.6 1.5 75 76 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.849 107.4 53.4 -65.3 -35.2 26.3 24.9 -1.7 76 77 A S H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.906 109.3 48.6 -64.8 -43.1 23.4 26.3 0.4 77 78 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 6,-0.2 0.906 111.4 49.4 -62.5 -42.8 25.8 28.3 2.6 78 79 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-0.2 0.892 112.6 48.3 -64.9 -39.8 27.6 29.7 -0.5 79 80 A H H ><5S+ 0 0 7 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.907 110.5 50.7 -61.8 -47.6 24.2 30.6 -2.0 80 81 A L H 3<5S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.847 116.0 41.0 -62.4 -36.0 23.1 32.3 1.2 81 82 A L T 3<5S- 0 0 19 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.366 110.0-122.4 -93.2 3.5 26.3 34.4 1.5 82 83 A E T < 5 + 0 0 40 -3,-1.0 2,-0.6 -4,-0.2 -78,-0.4 0.808 47.7 168.6 53.8 34.4 26.3 35.1 -2.3 83 84 A I < + 0 0 0 -5,-2.5 -1,-0.2 -6,-0.2 -78,-0.2 -0.704 1.9 168.1 -73.4 120.0 29.8 33.6 -2.7 84 85 A T + 0 0 9 -80,-1.9 2,-0.4 -2,-0.6 -49,-0.3 0.598 56.1 50.2-114.4 -19.0 30.1 33.3 -6.4 85 86 A N S S+ 0 0 1 -81,-2.0 -55,-1.0 -51,-0.1 -79,-0.4 -0.843 71.7 116.7-131.8 96.3 33.8 32.5 -7.1 86 87 A V E -Cd 29 36B 0 -51,-1.3 -49,-2.0 -2,-0.4 2,-0.5 -0.992 47.6-137.9-152.3 153.1 35.5 29.7 -5.3 87 88 A T E -Cd 28 37B 4 -59,-2.0 -59,-3.0 -2,-0.3 2,-0.8 -0.964 16.2-156.0-107.6 125.9 37.1 26.3 -5.7 88 89 A I E -Cd 27 38B 0 -51,-2.8 -49,-2.6 -2,-0.5 2,-0.5 -0.873 10.5-158.7-102.5 100.7 36.2 23.6 -3.2 89 90 A E E -Cd 26 39B 47 -63,-2.9 -63,-2.4 -2,-0.8 2,-0.5 -0.698 7.2-161.5 -79.7 125.1 39.1 21.2 -3.1 90 91 A V E -C 25 0B 3 -51,-3.0 2,-0.8 -2,-0.5 -49,-0.3 -0.938 15.0-168.5-111.2 123.5 38.0 17.8 -1.8 91 92 A I E S+C 24 0B 94 -67,-3.0 -67,-2.0 -2,-0.5 2,-0.3 -0.896 73.8 23.9-107.4 98.4 40.4 15.2 -0.5 92 93 A G S S- 0 0 24 -2,-0.8 -69,-0.1 -69,-0.2 -2,-0.1 -0.907 98.7 -79.5 135.2-168.4 38.1 12.3 -0.2 93 94 A N S S+ 0 0 71 -2,-0.3 -24,-2.1 1,-0.1 2,-0.3 0.361 100.4 34.5-117.8 0.4 34.8 11.2 -1.7 94 95 A E B S-h 69 0D 0 -26,-0.2 -24,-0.2 -3,-0.1 -1,-0.1 -0.990 82.0-101.1-155.3 148.0 32.2 13.2 0.2 95 96 A I - 0 0 4 -26,-2.5 -78,-0.4 -2,-0.3 -82,-0.1 -0.613 53.0-103.0 -66.8 133.4 31.7 16.6 1.9 96 97 A P - 0 0 2 0, 0.0 -80,-0.3 0, 0.0 -81,-0.1 -0.379 25.0-149.0 -53.9 138.0 32.2 16.3 5.7 97 98 A I > + 0 0 3 -82,-2.1 3,-2.2 1,-0.2 4,-0.2 0.751 25.0 178.4 -84.4 -27.4 28.8 16.3 7.4 98 99 A L T 3 S- 0 0 34 -83,-0.6 -1,-0.2 1,-0.3 4,-0.1 -0.373 72.9 -16.4 56.5-127.2 30.0 18.0 10.6 99 100 A D T 3 S- 0 0 60 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.378 100.3-101.5 -86.8 8.4 27.0 18.5 12.9 100 101 A G S < S+ 0 0 0 -3,-2.2 78,-1.6 1,-0.4 2,-0.2 0.451 95.8 82.9 88.7 1.3 24.5 17.9 10.0 101 102 A S S S- 0 0 1 76,-0.2 -1,-0.4 -4,-0.2 4,-0.2 -0.516 87.5-108.3-121.4-171.1 23.8 21.7 9.5 102 103 A G S > S+ 0 0 0 72,-1.9 4,-3.1 71,-0.2 73,-0.2 0.429 83.3 106.1 -99.2 1.3 25.4 24.6 7.7 103 104 A W H > S+ 0 0 77 71,-1.1 4,-2.7 1,-0.2 5,-0.2 0.814 77.5 44.4 -57.7 -47.7 26.6 26.4 10.9 104 105 A E H > S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 118.4 44.8 -67.0 -42.0 30.4 25.7 10.8 105 106 A F H > S+ 0 0 3 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.943 114.9 50.2 -61.3 -50.7 30.6 26.5 7.1 106 107 A Y H X S+ 0 0 17 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.908 111.3 46.0 -56.4 -50.4 28.4 29.6 7.6 107 108 A E H X S+ 0 0 54 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.859 116.1 45.1 -63.1 -40.1 30.4 31.1 10.5 108 109 A A H < S+ 0 0 22 -4,-1.6 3,-0.2 -5,-0.2 4,-0.2 0.923 118.1 41.6 -71.7 -43.6 33.8 30.6 8.9 109 110 A I H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.881 107.5 60.6 -73.5 -39.0 32.9 31.9 5.5 110 111 A R H >< S+ 0 0 111 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.812 104.7 50.9 -56.1 -34.3 30.8 34.8 6.7 111 112 A K T 3< S+ 0 0 146 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.510 111.4 49.3 -78.8 -9.3 34.0 36.2 8.5 112 113 A N T < S+ 0 0 23 -3,-1.7 -105,-1.9 -4,-0.2 2,-0.3 -0.104 73.3 144.3-128.4 35.6 36.0 35.9 5.3 113 114 A I E < -A 6 0A 42 -3,-0.6 2,-0.5 -107,-0.2 -107,-0.2 -0.622 26.4-168.8 -81.8 131.1 34.0 37.6 2.5 114 115 A L E -A 5 0A 75 -109,-2.6 -109,-2.2 -2,-0.3 2,-0.1 -0.953 13.6-144.2-121.4 110.7 35.8 39.5 -0.2 115 116 A N E -A 4 0A 89 -2,-0.5 -111,-0.2 -111,-0.2 2,-0.2 -0.469 24.3-160.8 -67.0 142.2 33.7 41.7 -2.5 116 117 A Q E - 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