==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-JAN-11 3Q8H . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 464 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 20.9 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 . 3 0.6 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 . 23 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 6 0 0 0 0 0 0 0 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 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 0 PARALLEL BRIDGES PER LADDER . 0 0 5 1 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 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 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 M 0 0 102 0, 0.0 2,-1.9 0, 0.0 151,-0.1 0.000 360.0 360.0 360.0 159.6 9.4 -59.3 -21.2 2 2 A D E +A 151 0A 34 149,-0.5 149,-2.8 2,-0.0 2,-0.2 -0.487 360.0 171.0 -92.7 72.4 9.0 -56.0 -22.7 3 3 A F E -A 150 0A 3 -2,-1.9 2,-0.3 147,-0.2 147,-0.2 -0.497 8.9-174.3 -81.2 150.9 10.9 -53.7 -20.2 4 4 A R E -A 149 0A 5 145,-2.4 145,-2.6 -2,-0.2 2,-0.3 -0.994 11.8-144.5-143.1 144.9 11.6 -50.0 -20.9 5 5 A I E -A 148 0A 6 -2,-0.3 2,-0.3 143,-0.2 143,-0.2 -0.810 13.0-173.0-111.1 151.1 13.6 -47.4 -19.0 6 6 A G E -A 147 0A 1 141,-2.2 141,-2.3 -2,-0.3 2,-0.3 -0.957 4.1-163.2-136.0 154.6 13.0 -43.7 -18.6 7 7 A Q E -A 146 0A 20 -2,-0.3 2,-0.3 41,-0.2 139,-0.2 -0.979 7.2-166.8-137.8 151.8 14.9 -40.8 -17.1 8 8 A G E -A 145 0A 1 137,-2.5 137,-2.3 -2,-0.3 2,-0.3 -0.987 8.0-169.6-142.6 156.4 13.9 -37.3 -16.0 9 9 A Y E +A 144 0A 4 -2,-0.3 2,-0.3 135,-0.2 135,-0.2 -0.992 10.8 167.2-138.3 141.2 15.4 -34.0 -15.0 10 10 A D E +A 143 0A 3 133,-2.2 133,-2.5 -2,-0.3 2,-0.3 -0.988 6.9 179.6-150.3 153.3 14.0 -30.9 -13.5 11 11 A V E +A 142 0A 1 -2,-0.3 2,-0.3 131,-0.2 131,-0.2 -0.983 2.9 179.0-145.4 143.1 15.2 -27.6 -11.9 12 12 A H E -A 141 0A 1 129,-1.6 129,-2.1 -2,-0.3 2,-0.1 -0.990 31.4-108.0-137.8 150.6 13.4 -24.6 -10.5 13 13 A Q E -A 140 0A 59 21,-0.4 21,-2.3 -2,-0.3 2,-0.5 -0.440 27.6-126.2 -68.5 146.9 14.6 -21.4 -8.8 14 14 A L E +E 33 0B 13 125,-2.2 19,-0.2 19,-0.2 -1,-0.1 -0.847 38.5 170.0 -91.7 127.2 14.1 -20.9 -5.1 15 15 A V E > -E 32 0B 29 17,-3.1 17,-2.8 -2,-0.5 3,-0.7 -0.956 35.1 -99.3-137.2 153.5 12.4 -17.6 -4.4 16 16 A P E 3 S+E 31 0B 106 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.332 99.4 31.7 -66.9 154.3 10.8 -15.9 -1.3 17 17 A G T 3 S+ 0 0 80 13,-0.7 14,-0.1 1,-0.2 13,-0.1 0.605 92.4 102.1 78.8 14.0 7.1 -16.0 -0.8 18 18 A R S < S- 0 0 79 -3,-0.7 -1,-0.2 12,-0.1 2,-0.1 -0.960 76.0-112.6-120.4 140.2 6.3 -19.4 -2.4 19 19 A P - 0 0 80 0, 0.0 2,-0.8 0, 0.0 14,-0.7 -0.489 29.3-120.5 -64.9 144.1 5.7 -22.6 -0.3 20 20 A L E +F 27 0C 1 7,-0.6 7,-3.2 12,-0.3 2,-0.5 -0.819 40.0 173.0 -88.8 111.9 8.5 -25.2 -0.7 21 21 A I E +F 26 0C 27 -2,-0.8 2,-0.4 17,-0.3 20,-0.3 -0.974 4.5 164.1-124.2 115.9 6.8 -28.3 -2.0 22 22 A I E > S-F 25 0C 0 3,-2.0 3,-1.9 -2,-0.5 18,-0.1 -0.999 73.4 -2.5-135.0 130.3 8.9 -31.3 -3.0 23 23 A G T 3 S- 0 0 0 -2,-0.4 87,-0.2 1,-0.3 88,-0.2 0.805 130.5 -61.1 58.5 29.5 7.5 -34.9 -3.6 24 24 A G T 3 S+ 0 0 22 1,-0.2 2,-0.5 86,-0.1 -1,-0.3 0.429 110.9 124.6 79.8 1.4 4.1 -33.5 -2.6 25 25 A V E < -F 22 0C 20 -3,-1.9 -3,-2.0 78,-0.0 2,-0.6 -0.815 59.0-138.8 -99.2 125.8 5.4 -32.5 0.9 26 26 A T E -F 21 0C 96 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.728 24.9-160.9 -79.9 118.8 5.2 -28.9 2.1 27 27 A I E -F 20 0C 4 -7,-3.2 -7,-0.6 -2,-0.6 2,-0.1 -0.896 23.6-112.6-109.9 126.0 8.5 -28.3 3.8 28 28 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.385 62.5 136.1 -58.9 123.8 8.8 -25.4 6.3 29 29 A Y - 0 0 50 -2,-0.1 -9,-0.3 69,-0.1 -2,-0.0 -0.932 63.1-124.0-170.6 145.2 11.2 -23.0 4.6 30 30 A E S S+ 0 0 145 -2,-0.3 -13,-0.7 -11,-0.1 2,-0.3 0.514 97.8 42.3 -72.1 -10.8 11.5 -19.2 4.0 31 31 A R E -E 16 0B 60 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.1 -0.911 66.9-165.4-131.9 162.4 11.7 -19.8 0.2 32 32 A G E -E 15 0B 0 -17,-2.8 -17,-3.1 -2,-0.3 -12,-0.3 -0.872 33.0 -82.4-141.0 174.1 9.8 -22.0 -2.3 33 33 A L E -E 14 0B 0 -14,-0.7 2,-0.5 -2,-0.3 -19,-0.2 -0.584 38.0-146.4 -87.1 139.8 10.2 -23.2 -5.9 34 34 A L + 0 0 68 -21,-2.3 -21,-0.4 -2,-0.3 2,-0.3 -0.879 48.2 48.5-104.5 132.6 9.0 -20.9 -8.7 35 35 A G S S+ 0 0 31 -2,-0.5 2,-0.4 2,-0.3 -23,-0.1 -0.970 79.8 22.4 158.2-138.6 7.5 -22.2 -11.9 36 36 A H S > S- 0 0 134 -2,-0.3 3,-1.9 2,-0.1 4,-0.2 -0.626 115.1 -36.5 -71.0 127.3 5.0 -24.4 -13.8 37 37 A S T 3 S- 0 0 33 -2,-0.4 -2,-0.3 1,-0.3 30,-0.1 -0.337 130.2 -18.7 59.5-131.9 2.2 -25.2 -11.3 38 38 A D T 3 S- 0 0 29 28,-1.5 -17,-0.3 -4,-0.1 -1,-0.3 0.343 90.3-124.4 -87.2 3.0 3.4 -25.6 -7.7 39 39 A A < + 0 0 0 -3,-1.9 2,-1.4 1,-0.2 -2,-0.1 0.766 40.9 176.5 62.5 32.7 6.9 -26.2 -9.2 40 40 A D > - 0 0 0 -4,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.533 9.8-169.3 -72.3 93.2 7.4 -29.6 -7.5 41 41 A V H > S+ 0 0 0 -2,-1.4 4,-2.1 -20,-0.3 -1,-0.2 0.830 79.3 49.6 -56.2 -38.1 10.8 -30.5 -9.0 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 112.2 45.9 -70.8 -49.4 10.8 -34.1 -7.9 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.887 112.6 51.8 -63.1 -36.4 7.4 -35.0 -9.1 44 44 A H H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.926 109.5 49.3 -63.6 -44.3 8.1 -33.3 -12.4 45 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 100,-0.2 0.921 113.4 46.7 -59.5 -41.5 11.3 -35.3 -12.9 46 46 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 110.0 53.3 -66.5 -42.4 9.5 -38.5 -12.1 47 47 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.928 109.9 48.4 -57.4 -45.5 6.6 -37.6 -14.5 48 48 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -41,-0.2 0.900 109.4 52.5 -64.1 -39.8 9.2 -37.0 -17.3 49 49 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.882 111.6 47.0 -63.7 -40.1 10.9 -40.4 -16.5 50 50 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.942 113.6 45.4 -69.9 -47.5 7.5 -42.2 -16.8 51 51 A F H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.4 0.908 114.2 52.6 -59.8 -35.2 6.5 -40.5 -20.0 52 52 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.3 -2,-0.2 0.919 106.1 50.7 -69.6 -40.8 10.0 -41.1 -21.3 53 53 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 114.1 45.7 -63.0 -32.6 9.9 -44.9 -20.5 54 54 A A T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.428 111.0-123.1 -87.9 -1.2 6.5 -45.1 -22.3 55 55 A A T < 5 + 0 0 12 -3,-1.1 -3,-0.2 -4,-0.4 224,-0.1 0.900 69.9 134.8 54.1 48.1 7.8 -43.1 -25.3 56 56 A L < - 0 0 32 -5,-2.8 2,-0.4 1,-0.3 -4,-0.2 0.060 66.3-114.2-112.8 22.8 5.0 -40.6 -24.8 57 57 A G - 0 0 7 -6,-0.3 -1,-0.3 -5,-0.1 2,-0.3 -0.669 52.4 -51.2 88.2-129.7 7.1 -37.4 -25.1 58 58 A D >> - 0 0 24 -2,-0.4 4,-1.4 -3,-0.1 3,-0.9 -0.871 51.8 -87.8-146.3 175.5 7.4 -35.1 -22.0 59 59 A I H 3> S+ 0 0 23 -2,-0.3 4,-2.3 1,-0.3 -1,-0.0 0.831 121.3 55.3 -60.6 -32.4 5.5 -33.3 -19.3 60 60 A G H 34 S+ 0 0 48 223,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.809 102.7 56.0 -74.1 -27.9 5.0 -30.2 -21.5 61 61 A R H <4 S+ 0 0 152 -3,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.906 117.3 35.4 -63.6 -40.5 3.4 -32.2 -24.3 62 62 A H H < S+ 0 0 32 -4,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.807 123.6 37.8 -86.5 -30.7 0.8 -33.5 -21.9 63 63 A F < 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.733 360.0 360.0-132.4 74.6 0.2 -30.6 -19.6 64 64 A S 0 0 154 -2,-0.4 -4,-0.1 -3,-0.3 -3,-0.1 -0.146 360.0 360.0 -34.6 360.0 0.3 -27.3 -21.5 65 ! 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 66 73 A A 0 0 85 0, 0.0 -28,-1.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 138.8 -1.6 -27.0 -10.5 67 74 A D > - 0 0 81 1,-0.2 4,-1.7 -30,-0.1 3,-0.4 -0.678 360.0-152.6 -75.4 117.2 -1.1 -29.8 -8.0 68 75 A S H > S+ 0 0 0 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.710 94.2 61.4 -68.6 -19.0 1.9 -31.8 -9.4 69 76 A R H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.901 102.2 49.9 -69.8 -39.3 0.5 -34.9 -7.7 70 77 A A H > S+ 0 0 43 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.915 112.0 49.4 -62.2 -39.6 -2.7 -34.6 -9.8 71 78 A L H X S+ 0 0 34 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.935 110.0 50.0 -65.1 -42.8 -0.3 -34.3 -12.8 72 79 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.922 110.3 50.6 -61.3 -42.3 1.7 -37.4 -11.7 73 80 A R H X S+ 0 0 106 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.893 111.4 47.4 -62.7 -39.5 -1.5 -39.4 -11.3 74 81 A E H X S+ 0 0 75 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 110.9 52.5 -69.7 -39.2 -2.7 -38.4 -14.8 75 82 A C H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.959 109.4 49.2 -55.7 -49.8 0.7 -39.3 -16.1 76 83 A A H X S+ 0 0 15 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.868 109.8 52.4 -60.9 -37.0 0.5 -42.7 -14.5 77 84 A S H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.888 110.9 46.0 -64.8 -41.5 -3.0 -43.2 -16.0 78 85 A R H X S+ 0 0 85 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.881 111.4 51.7 -69.6 -38.5 -1.7 -42.4 -19.5 79 86 A V H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 -2,-0.2 0.908 112.7 45.9 -64.6 -41.0 1.3 -44.7 -19.1 80 87 A A H ><5S+ 0 0 59 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.895 110.5 53.6 -65.7 -42.9 -1.1 -47.5 -18.0 81 88 A Q H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 102.5 58.0 -63.9 -27.9 -3.5 -46.6 -20.9 82 89 A A T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.532 129.1-100.2 -77.3 -8.3 -0.5 -47.0 -23.3 83 90 A G T < 5S+ 0 0 25 -3,-1.7 69,-3.4 1,-0.3 2,-0.4 0.521 78.9 130.2 104.5 9.5 -0.2 -50.6 -21.9 84 91 A F E < -B 151 0A 11 -5,-2.3 2,-0.4 67,-0.3 -1,-0.3 -0.769 42.2-155.7-101.7 144.1 2.7 -50.2 -19.3 85 92 A A E -B 150 0A 41 65,-2.8 65,-2.3 -2,-0.4 2,-0.4 -0.929 27.0-122.6-105.6 137.2 2.9 -51.3 -15.7 86 93 A I E -B 149 0A 26 -2,-0.4 63,-0.3 63,-0.2 3,-0.1 -0.639 27.4-179.1 -81.1 130.2 5.4 -49.3 -13.6 87 94 A R E - 0 0 50 61,-3.0 2,-0.3 -2,-0.4 62,-0.2 0.836 60.2 -24.1 -96.4 -45.3 8.0 -51.6 -11.9 88 95 A N E -B 148 0A 3 60,-1.6 60,-2.3 2,-0.0 2,-0.4 -0.991 46.9-148.4-162.0 163.4 10.1 -49.1 -9.9 89 96 A V E -Bc 147 122A 1 32,-2.2 34,-1.8 -2,-0.3 2,-0.3 -0.999 12.6-178.3-132.7 138.6 11.1 -45.5 -9.5 90 97 A D E +B 146 0A 0 56,-2.6 56,-2.8 -2,-0.4 2,-0.3 -0.945 12.5 169.3-129.8 156.4 14.4 -44.0 -8.2 91 98 A S E -B 145 0A 0 -2,-0.3 34,-1.7 32,-0.3 2,-0.4 -0.994 23.9-147.2-161.0 161.9 15.2 -40.4 -7.8 92 99 A T E -Bd 144 125A 0 52,-2.6 52,-2.6 -2,-0.3 2,-0.5 -0.999 6.6-158.3-138.0 138.0 17.6 -37.8 -6.4 93 100 A I E -Bd 143 126A 0 32,-2.5 34,-2.5 -2,-0.4 2,-0.6 -0.956 10.4-156.5-109.5 131.6 16.9 -34.2 -5.1 94 101 A I E +Bd 142 127A 0 48,-3.1 48,-2.0 -2,-0.5 2,-0.3 -0.942 30.1 147.7-112.1 113.7 19.9 -31.9 -5.1 95 102 A A - 0 0 6 32,-2.2 5,-0.1 -2,-0.6 46,-0.1 -0.984 45.8-150.4-147.4 131.4 19.5 -29.0 -2.5 96 103 A Q S S+ 0 0 106 39,-0.6 -1,-0.1 44,-0.4 40,-0.1 0.844 79.6 50.9 -60.8 -34.9 22.0 -27.0 -0.4 97 104 A A S S+ 0 0 21 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 -0.952 77.2 34.4-169.5 160.6 19.1 -26.6 2.1 98 105 A P S S- 0 0 25 0, 0.0 2,-0.3 0, 0.0 -69,-0.1 0.681 80.4-102.4 -76.4-177.1 16.8 -27.2 3.9 99 106 A K - 0 0 78 -2,-0.2 -2,-0.1 1,-0.1 -3,-0.1 -0.571 37.9-173.7 -67.2 125.2 17.6 -30.6 5.4 100 107 A L >> + 0 0 10 -2,-0.3 3,-2.4 -5,-0.1 4,-0.8 0.654 58.9 91.4 -99.9 -20.6 15.4 -33.0 3.5 101 108 A A H >> S+ 0 0 60 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.837 82.8 55.6 -45.7 -47.3 16.0 -36.3 5.4 102 109 A P H 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.608 115.1 40.9 -63.4 -12.0 13.0 -35.8 7.8 103 110 A H H <> S+ 0 0 44 -3,-2.4 4,-1.8 2,-0.1 -2,-0.2 0.494 87.8 90.9-111.4 -11.9 10.7 -35.5 4.8 104 111 A I H S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.875 109.9 50.4 -64.0 -38.8 6.6 -38.8 3.3 107 114 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.930 109.2 51.3 -63.1 -45.3 7.7 -38.0 -0.3 108 115 A R H X S+ 0 0 46 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 109.4 50.2 -57.3 -44.1 8.2 -41.7 -1.0 109 116 A A H X S+ 0 0 44 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.857 110.1 50.5 -62.4 -39.3 4.7 -42.5 0.4 110 117 A N H X S+ 0 0 33 -4,-1.9 4,-2.4 -87,-0.2 -2,-0.2 0.923 112.6 45.3 -65.4 -43.4 3.1 -39.8 -1.8 111 118 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 112.1 51.8 -66.9 -45.8 4.8 -41.0 -5.0 112 119 A A H X>S+ 0 0 4 -4,-2.7 5,-2.7 -5,-0.2 4,-0.7 0.929 111.3 48.2 -56.2 -45.3 3.9 -44.6 -4.1 113 120 A A H ><5S+ 0 0 66 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.942 111.8 48.9 -59.8 -45.8 0.2 -43.6 -3.7 114 121 A D H 3<5S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 118.5 39.2 -69.6 -28.3 0.1 -41.6 -6.9 115 122 A L H 3<5S- 0 0 12 -4,-2.2 -1,-0.3 -5,-0.2 -29,-0.2 0.412 108.2-122.5 -98.3 0.6 1.7 -44.5 -8.9 116 123 A D T <<5 + 0 0 149 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.924 66.1 138.4 52.3 49.1 -0.2 -47.2 -7.1 117 124 A L < - 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