==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 18-JAN-12 4DDM . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE . 564 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.4 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 39 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 29.6 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 3 0 1 0 0 0 2 2 0 7 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 . 3 0 1 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 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 3 A I 0 0 131 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 120.3 -5.0 22.2 19.7 2 4 A P - 0 0 33 0, 0.0 10,-0.0 0, 0.0 0, 0.0 -0.267 360.0 -60.2 -67.2 173.4 -2.5 24.9 18.8 3 5 A A - 0 0 61 -2,-0.1 2,-0.4 1,-0.1 18,-0.1 -0.337 51.4-169.3 -57.9 138.2 -3.6 27.1 15.8 4 6 A F - 0 0 41 -3,-0.1 94,-0.1 17,-0.0 -1,-0.1 -0.898 2.4-166.5-127.0 105.3 -4.2 25.2 12.5 5 7 A H > - 0 0 103 -2,-0.4 3,-1.4 92,-0.1 -2,-0.0 -0.799 19.2-140.0 -91.0 102.2 -4.7 27.6 9.5 6 8 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.162 82.1 29.7 -58.9 153.3 -6.0 25.4 6.6 7 9 A G T 3 S+ 0 0 72 1,-0.2 2,-0.2 88,-0.1 88,-0.0 0.321 112.8 74.8 75.5 -10.2 -4.7 26.1 3.1 8 10 A E S < S- 0 0 118 -3,-1.4 2,-0.7 89,-0.1 -1,-0.2 -0.774 92.2 -84.5-125.7 178.4 -1.4 27.3 4.4 9 11 A L - 0 0 22 -2,-0.2 2,-0.6 -3,-0.1 89,-0.2 -0.736 37.4-167.3 -87.2 113.4 1.8 25.9 5.9 10 12 A N E -a 98 0A 13 87,-3.0 89,-2.6 -2,-0.7 2,-0.5 -0.898 6.6-157.9 -99.2 117.7 1.6 25.3 9.7 11 13 A V E -a 99 0A 62 -2,-0.6 2,-0.4 87,-0.2 89,-0.2 -0.901 12.3-179.9-103.8 125.4 4.9 24.7 11.3 12 14 A Y E +a 100 0A 16 87,-2.5 89,-2.7 -2,-0.5 -2,-0.0 -0.977 17.2 177.3-125.0 134.0 5.1 22.8 14.7 13 15 A S + 0 0 62 -2,-0.4 90,-0.5 87,-0.2 -1,-0.1 0.686 62.6 83.4-106.6 -25.8 8.2 22.0 16.6 14 16 A A S > S- 0 0 40 1,-0.1 4,-1.8 88,-0.1 3,-0.5 -0.619 70.5-144.3 -80.1 124.8 6.5 20.4 19.7 15 17 A P H > S+ 0 0 23 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.909 102.3 55.4 -52.5 -39.8 5.6 16.7 19.3 16 18 A G H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 105.6 53.0 -59.7 -37.4 2.4 17.3 21.5 17 19 A D H > S+ 0 0 62 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.943 112.9 40.3 -62.0 -51.3 1.3 20.1 19.1 18 20 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.879 114.9 54.4 -70.6 -32.0 1.5 18.0 15.9 19 21 A A H X S+ 0 0 22 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.944 111.7 44.3 -65.4 -43.5 0.0 15.0 17.8 20 22 A D H X S+ 0 0 47 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.914 115.5 46.3 -68.4 -41.3 -3.0 17.1 18.9 21 23 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.922 113.4 50.1 -65.6 -45.9 -3.5 18.7 15.4 22 24 A S H X S+ 0 0 2 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.874 111.4 47.7 -57.5 -44.7 -3.2 15.3 13.7 23 25 A R H X S+ 0 0 84 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.904 111.5 50.2 -66.5 -42.0 -5.7 13.6 16.0 24 26 A A H X S+ 0 0 34 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.917 111.9 49.5 -64.7 -42.0 -8.2 16.4 15.6 25 27 A L H ><>S+ 0 0 16 -4,-2.3 5,-1.8 1,-0.2 3,-0.6 0.911 110.1 48.9 -62.3 -44.3 -7.8 16.2 11.8 26 28 A R H ><5S+ 0 0 75 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.854 108.1 54.9 -65.1 -35.6 -8.3 12.4 11.8 27 29 A L H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.631 104.4 53.4 -73.3 -19.4 -11.5 12.8 14.0 28 30 A T T <<5S- 0 0 111 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.204 127.8-104.3 -94.0 15.8 -13.0 15.2 11.5 29 31 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.310 73.6 140.0 80.5 -4.4 -12.3 12.5 8.9 30 32 A R < - 0 0 70 -5,-1.8 2,-0.6 1,-0.1 -1,-0.3 -0.354 52.7-127.4 -62.0 150.2 -9.2 13.9 7.1 31 33 A R E -b 58 0A 80 26,-2.0 28,-1.9 24,-0.1 2,-0.4 -0.939 20.6-138.2-104.7 122.1 -6.6 11.1 6.3 32 34 A V E -b 59 0A 0 -2,-0.6 119,-2.5 117,-0.2 120,-1.2 -0.679 16.5-165.2 -90.7 125.8 -3.2 12.1 7.6 33 35 A M E -bc 60 152A 0 26,-2.7 28,-3.3 -2,-0.4 2,-0.5 -0.901 5.6-155.3-108.5 134.6 -0.3 11.3 5.2 34 36 A L E -bc 61 153A 0 118,-2.4 120,-2.3 -2,-0.4 28,-0.2 -0.949 13.2-176.2-114.7 129.7 3.3 11.4 6.7 35 37 A V E -b 62 0A 0 26,-2.5 28,-1.6 -2,-0.5 2,-0.4 -0.913 17.8-155.0-116.3 98.8 6.4 12.0 4.6 36 38 A P E +b 63 0A 20 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.601 24.6 164.9 -77.9 129.1 9.5 11.6 6.9 37 39 A T E -b 64 0A 13 26,-1.6 28,-1.8 -2,-0.4 3,-0.1 -0.931 47.5-138.5-135.4 168.7 12.5 13.6 5.7 38 40 A M - 0 0 28 1,-0.4 26,-0.1 -2,-0.3 28,-0.1 0.030 58.0-120.0-105.3 21.9 15.9 14.9 6.8 39 41 A G S S+ 0 0 1 24,-0.4 -1,-0.4 1,-0.1 156,-0.1 -0.203 81.9 112.0 69.6-159.6 15.3 18.2 5.0 40 42 A A - 0 0 0 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.950 68.3-155.8 52.9 52.1 17.5 19.5 2.2 41 43 A L + 0 0 8 42,-0.2 2,-0.2 3,-0.1 -1,-0.1 -0.215 24.4 168.5 -70.1 142.6 14.4 18.8 0.0 42 44 A H >> - 0 0 39 -3,-0.1 4,-1.7 151,-0.1 3,-1.1 -0.801 54.8 -74.1-140.8-177.0 14.7 18.1 -3.8 43 45 A E H 3> S+ 0 0 78 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.763 125.7 63.2 -62.1 -25.5 12.3 16.8 -6.4 44 46 A G H 3> S+ 0 0 14 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.886 106.6 45.4 -65.9 -38.2 12.5 13.2 -5.2 45 47 A H H <> S+ 0 0 30 -3,-1.1 4,-2.2 2,-0.2 3,-0.5 0.889 108.8 55.6 -62.9 -42.4 10.9 14.5 -1.9 46 48 A L H X S+ 0 0 7 -4,-1.7 4,-3.4 1,-0.3 -2,-0.2 0.860 101.7 58.6 -65.2 -28.2 8.3 16.5 -3.8 47 49 A A H X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.878 106.0 48.2 -65.1 -36.7 7.3 13.3 -5.6 48 50 A L H X S+ 0 0 11 -4,-0.9 4,-2.1 -3,-0.5 -2,-0.2 0.928 112.6 48.5 -64.5 -48.5 6.5 11.8 -2.1 49 51 A V H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.948 111.1 50.7 -57.4 -46.6 4.5 14.9 -1.2 50 52 A R H X S+ 0 0 78 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.916 109.7 49.3 -60.4 -39.6 2.6 14.8 -4.5 51 53 A A H < S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.872 112.5 48.2 -64.8 -39.5 1.7 11.1 -4.0 52 54 A A H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.894 109.7 54.7 -64.4 -40.9 0.5 11.9 -0.5 53 55 A K H 3< S+ 0 0 101 -4,-2.7 5,-0.4 1,-0.3 -2,-0.2 0.910 98.5 59.6 -64.3 -46.2 -1.5 14.8 -1.8 54 56 A R T 3< S+ 0 0 186 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.523 77.5 106.1 -65.5 -1.1 -3.4 12.9 -4.4 55 57 A V S X S- 0 0 10 -3,-1.3 3,-1.8 -4,-0.2 -24,-0.1 -0.693 87.7-105.2 -76.2 124.5 -4.9 10.6 -1.6 56 58 A P T 3 S+ 0 0 96 0, 0.0 -25,-0.1 0, 0.0 -1,-0.1 -0.231 99.7 5.7 -59.9 132.5 -8.6 11.8 -1.3 57 59 A G T 3 S+ 0 0 47 1,-0.2 -26,-2.0 -27,-0.1 -3,-0.1 0.636 96.8 157.1 74.3 12.8 -9.3 13.9 1.8 58 60 A S E < -b 31 0A 16 -3,-1.8 2,-0.4 -5,-0.4 -26,-0.2 -0.281 33.9-164.3 -69.2 148.0 -5.5 13.9 2.7 59 61 A V E -b 32 0A 0 -28,-1.9 -26,-2.7 -7,-0.0 2,-0.5 -0.981 24.9-138.1-121.5 138.4 -3.7 16.4 4.9 60 62 A V E -b 33 0A 3 -2,-0.4 38,-1.5 35,-0.2 2,-0.5 -0.830 16.5-168.4-105.9 129.8 0.1 16.0 4.4 61 63 A V E -bd 34 98A 0 -28,-3.3 -26,-2.5 -2,-0.5 2,-0.6 -0.984 4.7-168.6-108.2 122.7 2.5 16.2 7.3 62 64 A V E -bd 35 99A 0 36,-2.6 38,-2.5 -2,-0.5 2,-0.4 -0.956 8.6-154.3-107.9 123.6 6.1 16.4 6.2 63 65 A S E -bd 36 100A 1 -28,-1.6 -26,-1.6 -2,-0.6 2,-0.4 -0.742 7.0-166.7 -95.1 142.8 8.6 15.9 9.0 64 66 A I E +b 37 0A 24 36,-2.6 2,-0.3 -2,-0.4 -26,-0.2 -0.969 27.8 139.8-125.2 116.2 12.1 17.4 8.9 65 67 A F - 0 0 14 -28,-1.8 2,-1.1 -2,-0.4 -26,-0.1 -0.917 44.7-144.4-163.9 117.6 14.6 16.1 11.5 66 68 A V - 0 0 23 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.809 32.2-144.9 -88.4 102.9 18.2 15.2 11.1 67 69 A N > - 0 0 2 -2,-1.1 3,-1.2 1,-0.2 4,-0.4 -0.568 14.2-161.8 -81.3 107.5 18.2 12.3 13.3 68 70 A P G > S+ 0 0 39 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.834 82.5 68.6 -56.1 -26.4 21.4 12.0 15.3 69 71 A M G 3 S+ 0 0 26 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.732 96.2 51.3 -72.6 -18.8 20.8 8.3 16.2 70 72 A Q G < S+ 0 0 23 -3,-1.2 2,-0.4 66,-0.3 -1,-0.3 0.470 96.5 87.8 -91.5 -2.9 21.3 6.9 12.6 71 73 A F S < S- 0 0 27 -3,-1.6 2,-0.2 -4,-0.4 3,-0.1 -0.823 71.7-140.8 -95.1 134.9 24.6 8.8 12.2 72 74 A G - 0 0 35 -2,-0.4 4,-0.5 1,-0.1 5,-0.4 -0.561 32.2 -96.7 -83.8 156.5 27.9 7.2 13.3 73 75 A A S S+ 0 0 114 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 -0.322 92.6 84.2 -65.6 157.9 30.6 9.3 15.1 74 76 A G S S- 0 0 80 -3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.593 113.2 -64.1 116.2 14.4 33.3 10.5 12.6 75 77 A G S > S+ 0 0 43 -3,-0.2 4,-1.5 -4,-0.0 5,-0.1 0.165 98.1 114.0 108.3 -12.0 31.8 13.7 11.1 76 78 A D H > S+ 0 0 52 -4,-0.5 4,-0.8 1,-0.2 -3,-0.1 0.867 77.6 51.5 -60.2 -40.1 28.7 12.6 9.2 77 79 A L H >4 S+ 0 0 51 -5,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.911 111.5 44.3 -68.3 -47.4 26.2 14.4 11.4 78 80 A D H 34 S+ 0 0 147 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.778 114.1 54.4 -67.4 -26.6 27.8 17.9 11.3 79 81 A A H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.558 78.3 113.2 -83.6 -15.7 28.3 17.4 7.5 80 82 A Y S << S- 0 0 23 -4,-0.8 2,-0.2 -3,-0.7 -40,-0.1 -0.397 78.8-103.2 -64.3 137.8 24.7 16.6 6.6 81 83 A P - 0 0 10 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.381 35.4-169.1 -71.0 131.7 23.1 19.5 4.4 82 84 A R + 0 0 123 -2,-0.2 -43,-0.1 -3,-0.1 -44,-0.0 -0.971 22.7 152.3-122.0 114.5 20.8 21.8 6.3 83 85 A T > + 0 0 33 -2,-0.6 4,-2.3 1,-0.1 3,-0.3 -0.404 7.3 158.8-132.2 61.3 18.8 24.2 4.1 84 86 A P H > + 0 0 79 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.772 69.7 56.8 -66.4 -26.4 15.6 24.9 6.2 85 87 A D H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.944 112.5 42.1 -64.4 -52.0 14.6 28.2 4.5 86 88 A D H > S+ 0 0 102 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.925 111.4 57.6 -57.0 -47.0 14.5 26.5 1.0 87 89 A D H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.937 109.0 43.4 -56.6 -51.7 12.7 23.4 2.5 88 90 A L H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.895 111.3 54.9 -62.5 -39.4 9.8 25.4 3.9 89 91 A A H X S+ 0 0 50 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.933 108.7 49.5 -55.5 -48.1 9.4 27.5 0.7 90 92 A Q H X S+ 0 0 54 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.899 110.0 50.1 -59.1 -39.4 9.2 24.2 -1.3 91 93 A L H <>S+ 0 0 0 -4,-1.9 5,-2.0 -5,-0.2 4,-0.4 0.904 110.9 48.4 -68.0 -43.0 6.5 22.9 1.0 92 94 A R H ><5S+ 0 0 144 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.951 109.0 54.1 -59.8 -46.8 4.5 26.1 0.7 93 95 A A H 3<5S+ 0 0 86 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.839 109.8 50.3 -52.3 -31.0 4.9 25.9 -3.1 94 96 A E T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.525 113.2-116.9 -90.1 -2.6 3.5 22.4 -2.8 95 97 A G T < 5 + 0 0 44 -3,-1.8 2,-0.3 -4,-0.4 -35,-0.2 0.732 54.4 161.8 75.0 19.9 0.4 23.2 -0.7 96 98 A V < - 0 0 2 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.572 25.3-162.1 -70.1 133.7 1.5 21.1 2.3 97 99 A E + 0 0 27 -37,-0.4 -87,-3.0 -2,-0.3 2,-0.4 0.760 67.5 44.2 -95.2 -20.3 -0.4 22.2 5.3 98 100 A I E +ad 10 61A 0 -38,-1.5 -36,-2.6 -89,-0.2 2,-0.4 -0.978 51.4 179.9-131.1 122.2 1.8 20.7 8.1 99 101 A A E -ad 11 62A 0 -89,-2.6 -87,-2.5 -2,-0.4 2,-0.6 -0.980 14.9-158.5-108.2 130.1 5.6 20.7 8.6 100 102 A F E +ad 12 63A 0 -38,-2.5 -36,-2.6 -2,-0.4 -87,-0.2 -0.947 16.8 171.5-109.9 117.1 6.8 19.0 11.8 101 103 A T - 0 0 34 -89,-2.7 -36,-0.1 -2,-0.6 -38,-0.1 -0.697 12.6-175.7-127.9 76.6 10.3 20.2 12.8 102 104 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.313 22.4-118.0 -76.5 158.5 11.1 18.8 16.3 103 105 A T > - 0 0 80 -90,-0.5 4,-1.7 1,-0.1 5,-0.2 -0.493 22.6-116.2 -83.1 163.4 14.2 19.5 18.3 104 106 A T H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.902 117.3 54.7 -63.4 -38.2 16.7 16.9 19.3 105 107 A A H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.860 107.9 48.5 -64.9 -36.0 15.8 17.5 23.0 106 108 A A H 4 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.825 117.7 40.9 -74.3 -31.5 12.1 16.9 22.3 107 109 A M H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.798 129.2 28.1 -79.1 -35.7 12.9 13.6 20.4 108 110 A Y >< + 0 0 31 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.2 -0.377 65.7 146.8-126.8 54.7 15.6 12.3 22.8 109 111 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.771 86.7 38.0 -66.6 -24.2 14.8 13.8 26.3 110 112 A D T 3 S- 0 0 83 1,-0.5 -5,-0.1 -3,-0.1 342,-0.0 0.085 108.4-130.1-109.7 25.5 16.2 10.6 27.8 111 113 A G S < S- 0 0 43 -3,-1.8 2,-0.9 -6,-0.1 -1,-0.5 -0.331 70.9 -18.1 60.6-142.9 19.1 10.1 25.3 112 114 A L S S+ 0 0 108 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.817 89.5 131.1 -94.4 107.0 19.1 6.6 23.9 113 115 A R + 0 0 56 -2,-0.9 2,-0.3 1,-0.6 -1,-0.1 0.514 67.8 20.7-120.4 -92.2 17.1 4.5 26.3 114 116 A T S S+ 0 0 5 334,-0.2 -1,-0.6 284,-0.1 2,-0.3 -0.642 82.2 168.6 -77.8 132.6 14.4 2.2 24.8 115 117 A T E -F 397 0B 20 282,-2.6 282,-3.4 -2,-0.3 2,-0.4 -0.920 37.6 -97.9-138.1 170.0 15.3 1.6 21.1 116 118 A V E -F 396 0B 0 19,-0.4 23,-0.2 -2,-0.3 280,-0.2 -0.771 24.9-155.0 -87.8 130.0 14.3 -0.5 18.1 117 119 A Q E -F 395 0B 81 278,-3.4 278,-2.9 -2,-0.4 18,-0.0 -0.934 18.0-147.9-101.1 106.5 16.4 -3.6 17.4 118 120 A P - 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