==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-05 1YVG . COMPND 2 MOLECULE: TETANUS TOXIN, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM TETANI; . AUTHOR K.N.RAO,D.KUMARAN,T.BINZ,S.SWAMINATHAN . 397 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 13.4 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 . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 2 0 0 0 1 2 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 4 3 4 2 0 0 1 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 . 3 0 0 1 0 0 1 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 P 0 0 154 0, 0.0 2,-0.4 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0-163.8 36.5 32.4 30.1 2 2 A I - 0 0 19 93,-0.1 2,-0.4 37,-0.0 103,-0.0 -0.721 360.0-149.6 -90.8 131.0 35.6 29.5 27.9 3 3 A T - 0 0 98 -2,-0.4 2,-0.7 0, 0.0 37,-0.3 -0.847 2.4-156.8-100.6 134.6 37.8 26.3 28.1 4 4 A I - 0 0 13 -2,-0.4 35,-0.2 35,-0.1 34,-0.1 -0.867 22.9-139.6-112.7 95.9 38.2 24.1 25.0 5 5 A N - 0 0 42 33,-0.9 2,-0.3 -2,-0.7 31,-0.0 0.039 9.5-139.4 -50.0 158.7 39.2 20.7 26.3 6 6 A N + 0 0 114 2,-0.0 2,-0.2 82,-0.0 -1,-0.1 -0.889 29.8 152.3-121.1 152.3 41.8 18.5 24.6 7 7 A F - 0 0 8 -2,-0.3 2,-0.3 29,-0.0 81,-0.1 -0.864 37.2-126.4-178.7 143.6 41.7 14.8 24.0 8 8 A R > - 0 0 131 -2,-0.2 3,-1.6 1,-0.1 73,-0.1 -0.716 33.1-117.6 -94.8 148.9 43.0 12.1 21.6 9 9 A Y T 3 S+ 0 0 23 -2,-0.3 -1,-0.1 1,-0.3 25,-0.0 0.679 115.5 56.0 -59.8 -15.8 40.4 9.8 20.0 10 10 A S T 3 S+ 0 0 102 2,-0.0 -1,-0.3 71,-0.0 67,-0.0 0.622 78.6 116.7 -90.1 -18.4 42.2 6.9 21.9 11 11 A D S < S- 0 0 58 -3,-1.6 3,-0.1 1,-0.1 2,-0.0 -0.154 72.3-108.0 -49.9 144.0 41.8 8.4 25.3 12 12 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.310 36.7 -89.9 -75.2 163.0 39.6 6.3 27.6 13 13 A V + 0 0 33 1,-0.1 6,-0.2 2,-0.1 124,-0.0 -0.394 39.8 177.2 -68.1 147.1 36.1 7.2 28.7 14 14 A N - 0 0 71 4,-3.0 5,-0.2 -2,-0.1 -1,-0.1 0.292 43.4-118.9-136.9 7.2 35.9 9.3 31.9 15 15 A N S S+ 0 0 47 3,-1.3 4,-0.2 121,-0.2 -2,-0.1 0.660 103.4 62.8 60.7 15.2 32.2 10.0 32.3 16 16 A D S S- 0 0 91 2,-0.4 -1,-0.2 21,-0.0 3,-0.1 0.539 120.4 -2.3-127.6 -74.8 33.1 13.7 32.1 17 17 A T S S+ 0 0 29 1,-0.2 20,-2.3 19,-0.1 2,-0.4 0.499 132.5 44.9-103.3 -9.5 34.7 14.9 28.8 18 18 A I E S+A 36 0A 2 18,-0.2 -4,-3.0 2,-0.0 -3,-1.3 -0.922 73.3 143.7-141.1 111.7 34.7 11.5 27.1 19 19 A I E -A 35 0A 0 16,-1.2 16,-2.0 -2,-0.4 2,-0.6 -0.703 51.8-104.1-135.6-174.5 31.7 9.2 27.2 20 20 A M E -AB 34 136A 60 116,-0.7 116,-2.6 14,-0.2 2,-0.3 -0.952 46.2-170.9-117.8 103.6 29.7 6.7 25.2 21 21 A M E -AB 33 135A 1 12,-2.8 12,-2.4 -2,-0.6 114,-0.3 -0.792 28.5-141.0-108.7 146.7 26.4 8.4 24.1 22 22 A E E - B 0 134A 0 112,-3.5 112,-0.8 -2,-0.3 10,-0.2 -0.880 40.9-123.0 -94.5 106.1 23.2 7.2 22.5 23 23 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 8,-0.1 -0.099 25.0-102.3 -49.7 151.8 22.5 10.1 20.1 24 24 A P G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 105,-0.1 0.824 122.1 47.9 -45.4 -42.2 19.1 11.8 20.5 25 25 A Y G 3 S+ 0 0 73 1,-0.2 105,-0.0 104,-0.0 104,-0.0 0.669 105.5 58.0 -77.9 -15.1 17.6 10.0 17.6 26 26 A C G X> S+ 0 0 13 -3,-1.7 3,-2.2 5,-0.1 4,-0.5 0.183 79.2 150.6 -95.7 18.0 18.8 6.6 18.7 27 27 A K T <4 S+ 0 0 82 -3,-1.1 106,-0.0 1,-0.3 102,-0.0 -0.244 70.7 4.8 -55.9 130.3 17.0 7.1 21.9 28 28 A G T 34 S+ 0 0 47 1,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.338 108.3 96.4 78.6 -8.0 15.8 3.8 23.5 29 29 A L T <4 S- 0 0 104 -3,-2.2 -2,-0.2 2,-0.1 3,-0.1 0.608 85.4-135.1 -86.1 -14.8 17.7 1.9 20.7 30 30 A D < + 0 0 96 -4,-0.5 2,-0.4 1,-0.2 -3,-0.1 0.980 53.1 143.4 55.7 61.2 20.7 1.4 22.9 31 31 A I - 0 0 71 -5,-0.4 2,-0.3 -8,-0.1 -1,-0.2 -0.962 28.6-170.4-131.1 110.1 23.2 2.4 20.2 32 32 A Y - 0 0 45 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.818 13.7-174.9-113.2 148.6 26.2 4.3 21.5 33 33 A Y E -A 21 0A 63 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.2 -0.958 36.4-103.2-132.6 149.2 29.1 6.2 20.0 34 34 A K E -A 20 0A 31 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.497 46.5-179.6 -72.3 140.4 32.1 7.8 21.7 35 35 A A E -A 19 0A 0 -16,-2.0 -16,-1.2 -2,-0.2 2,-0.4 -0.922 17.7-138.8-139.5 164.8 31.8 11.6 22.0 36 36 A F E -AC 18 44A 0 8,-2.4 8,-1.9 -2,-0.3 2,-1.3 -0.984 13.3-134.1-136.1 129.7 33.8 14.4 23.3 37 37 A K E - C 0 43A 37 -20,-2.3 -32,-0.3 -2,-0.4 6,-0.2 -0.642 22.2-179.2 -79.8 94.9 32.9 17.5 25.3 38 38 A I E S- 0 0 0 -2,-1.3 -33,-0.9 4,-1.0 2,-0.3 0.769 73.5 -26.9 -64.6 -25.8 34.8 20.2 23.4 39 39 A T E > S- C 0 42A 6 3,-1.2 3,-2.3 -35,-0.2 -1,-0.3 -0.928 100.1 -43.7-176.8 165.3 33.4 22.6 25.9 40 40 A D T 3 S+ 0 0 97 -37,-0.3 111,-0.1 -2,-0.3 -2,-0.0 -0.030 123.7 0.8 -44.2 138.4 30.4 23.0 28.2 41 41 A R T 3 S+ 0 0 50 109,-0.2 112,-2.4 1,-0.1 111,-1.6 0.471 113.5 96.8 59.8 5.3 27.1 22.1 26.5 42 42 A I E < -Cd 39 153A 2 -3,-2.3 -3,-1.2 110,-0.2 -4,-1.0 -0.968 50.5-174.9-129.9 121.9 28.8 21.2 23.2 43 43 A W E -Cd 37 154A 4 110,-2.9 112,-3.2 -2,-0.4 2,-0.4 -0.804 13.9-150.8-115.6 157.2 29.8 17.7 22.1 44 44 A I E -Cd 36 155A 0 -8,-1.9 -8,-2.4 -2,-0.3 112,-0.2 -0.985 8.6-171.7-123.0 131.4 31.7 16.3 19.1 45 45 A V E - 0 0 1 110,-3.0 2,-2.7 -2,-0.4 112,-0.4 -0.901 18.5-145.3-127.2 101.9 30.9 12.8 17.7 46 46 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.369 64.2 104.7 -67.3 74.7 33.4 11.6 15.1 47 47 A E E S- 0 0 23 -2,-2.7 110,-2.9 -14,-0.1 -2,-0.1 -0.981 77.9 -98.9-151.7 145.2 30.8 9.7 13.1 48 48 A R E - d 0 157A 5 26,-0.4 2,-1.0 -2,-0.3 111,-0.2 -0.359 44.0-106.0 -65.1 144.7 29.0 10.4 9.8 49 49 A Y + 0 0 7 109,-0.9 -1,-0.1 108,-0.7 144,-0.0 -0.645 53.1 161.5 -75.2 105.6 25.6 11.8 10.2 50 50 A E > + 0 0 80 -2,-1.0 3,-2.2 109,-0.1 -1,-0.2 0.640 22.4 125.5-102.7 -18.0 23.5 8.8 9.2 51 51 A F T 3 S+ 0 0 40 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.167 87.2 6.0 -46.9 120.5 20.0 9.6 10.7 52 52 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.699 111.2 106.9 77.0 18.6 17.4 9.4 7.9 53 53 A T < - 0 0 37 -3,-2.2 -1,-0.3 5,-0.0 -3,-0.1 -0.656 54.4-150.6-118.3 175.7 19.9 8.0 5.4 54 54 A K >> - 0 0 125 -2,-0.2 3,-2.7 -3,-0.1 4,-0.9 -0.971 35.3-107.6-144.4 147.0 20.4 4.5 3.9 55 55 A P T 34 S+ 0 0 106 0, 0.0 3,-0.4 0, 0.0 -1,-0.0 0.821 119.3 66.3 -47.7 -32.9 23.8 3.2 2.6 56 56 A E T 34 S+ 0 0 126 1,-0.2 3,-0.4 2,-0.1 -3,-0.0 0.839 100.9 51.3 -56.3 -32.7 22.6 3.6 -0.9 57 57 A D T <4 S+ 0 0 61 -3,-2.7 2,-1.0 1,-0.2 -1,-0.2 0.817 91.7 79.0 -73.1 -34.7 22.6 7.4 -0.2 58 58 A F S < S+ 0 0 6 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 -0.006 91.9 46.2 -71.6 31.9 26.2 7.3 1.1 59 59 A N S S- 0 0 69 -2,-1.0 102,-0.0 -3,-0.4 11,-0.0 -0.977 100.4 -74.1-163.4 158.3 28.0 7.3 -2.3 60 60 A P - 0 0 90 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.365 44.1-154.2 -61.0 90.5 27.9 9.1 -5.7 61 61 A P - 0 0 81 0, 0.0 2,-0.7 0, 0.0 -4,-0.0 -0.482 26.3-114.5 -65.6 137.0 24.8 7.7 -7.5 62 62 A S 0 0 127 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.635 360.0 360.0 -77.4 111.5 25.5 8.0 -11.2 63 63 A S 0 0 156 -2,-0.7 0, 0.0 0, 0.0 0, 0.0 -0.960 360.0 360.0 170.8 360.0 23.0 10.5 -12.8 64 ! 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 65 68 A A 0 0 66 0, 0.0 334,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 31.6 19.6 -8.6 66 69 A S + 0 0 79 288,-0.2 97,-0.0 134,-0.0 287,-0.0 0.160 360.0 56.4-179.3 -4.8 29.2 20.7 -5.8 67 70 A E + 0 0 96 288,-0.1 2,-0.2 95,-0.0 95,-0.1 -0.446 69.8 170.1-139.7 61.1 28.0 17.3 -4.6 68 71 A Y - 0 0 53 93,-0.1 94,-1.0 -8,-0.0 95,-0.7 -0.528 9.7-170.5 -80.2 141.9 31.1 15.3 -3.7 69 72 A Y B +H 161 0B 41 92,-0.2 92,-0.1 -2,-0.2 -10,-0.1 -0.877 21.4 163.0-128.9 162.1 30.8 11.9 -1.9 70 73 A D > - 0 0 49 90,-0.5 3,-2.6 -2,-0.3 -11,-0.1 -0.216 16.9-163.9 178.8 80.6 33.0 9.3 -0.2 71 74 A P T 3 S+ 0 0 40 0, 0.0 -23,-0.1 0, 0.0 -12,-0.1 0.458 87.7 62.6 -49.5 -8.3 31.5 6.6 2.1 72 75 A N T > S+ 0 0 119 3,-0.0 3,-0.7 2,-0.0 4,-0.3 0.614 74.4 113.7 -96.7 -12.0 34.9 5.7 3.7 73 76 A Y T < S+ 0 0 16 -3,-2.6 -25,-0.2 1,-0.2 -3,-0.1 -0.321 86.5 8.2 -58.2 134.9 35.5 9.2 5.1 74 77 A L T 3 S+ 0 0 1 -27,-0.1 -26,-0.4 1,-0.1 -1,-0.2 0.933 96.5 113.8 57.4 52.4 35.5 9.1 8.9 75 78 A R < + 0 0 91 -3,-0.7 2,-0.2 -28,-0.1 -2,-0.1 0.638 59.0 61.6-122.3 -27.5 35.3 5.3 9.2 76 79 A T S > S- 0 0 70 -4,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.615 88.0-113.4 -98.6 162.2 38.6 4.3 10.8 77 80 A D H > S+ 0 0 110 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.835 118.4 57.5 -61.6 -32.0 39.9 5.4 14.2 78 81 A S H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.974 105.2 47.1 -62.8 -55.7 42.6 7.4 12.4 79 82 A D H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.923 113.9 50.6 -49.7 -48.8 40.1 9.4 10.4 80 83 A K H X S+ 0 0 20 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.868 108.6 48.2 -59.6 -43.3 38.2 10.1 13.6 81 84 A D H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.830 113.5 50.3 -68.9 -28.3 41.2 11.3 15.6 82 85 A R H X S+ 0 0 71 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.937 112.7 45.4 -70.7 -47.2 42.0 13.5 12.6 83 86 A F H X S+ 0 0 2 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.926 113.2 51.9 -59.3 -46.9 38.5 14.8 12.6 84 87 A L H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.919 112.4 43.8 -57.3 -48.7 38.6 15.2 16.4 85 88 A Q H X S+ 0 0 28 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.889 111.5 53.2 -65.7 -42.4 41.9 17.2 16.3 86 89 A T H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.900 109.6 49.4 -60.8 -41.4 40.8 19.4 13.4 87 90 A M H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.907 108.5 53.0 -65.5 -41.4 37.6 20.3 15.2 88 91 A V H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.931 110.2 47.2 -59.5 -45.8 39.5 21.2 18.4 89 92 A K H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.899 111.9 52.3 -61.1 -41.4 41.8 23.6 16.5 90 93 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.933 110.2 46.0 -62.8 -47.5 38.8 25.1 14.8 91 94 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.947 113.4 49.6 -61.8 -45.3 37.0 25.8 18.1 92 95 A N H X S+ 0 0 37 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.870 109.5 53.4 -59.0 -35.7 40.3 27.2 19.6 93 96 A R H < S+ 0 0 7 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.901 111.4 44.8 -64.2 -42.2 40.5 29.3 16.4 94 97 A I H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.866 113.9 50.1 -69.5 -37.9 37.0 30.6 17.0 95 98 A K H 3< S+ 0 0 36 -4,-2.7 6,-0.3 1,-0.2 -2,-0.2 0.806 98.4 65.7 -72.1 -31.8 37.6 31.2 20.7 96 99 A N T 3< S+ 0 0 81 -4,-2.0 2,-0.5 273,-0.2 -1,-0.2 0.521 89.7 72.3 -72.7 -6.5 40.9 33.2 20.3 97 100 A N S X> S- 0 0 37 -3,-0.7 4,-2.4 -4,-0.3 3,-1.9 -0.933 86.0-130.4-107.3 131.2 39.2 36.1 18.6 98 101 A V H 3> S+ 0 0 128 -2,-0.5 4,-1.5 1,-0.3 -1,-0.1 0.812 110.4 52.6 -51.1 -32.8 37.0 38.3 20.9 99 102 A A H 3> S+ 0 0 14 240,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.701 109.1 49.3 -76.7 -20.3 34.1 38.1 18.5 100 103 A G H <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.2 5,-0.2 0.860 107.8 52.5 -83.7 -39.3 34.4 34.3 18.4 101 104 A E H X S+ 0 0 50 -4,-2.4 4,-2.4 -6,-0.3 -2,-0.2 0.893 107.4 54.7 -61.1 -39.3 34.4 34.0 22.2 102 105 A A H X S+ 0 0 44 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.919 107.7 48.6 -61.5 -45.1 31.3 36.1 22.2 103 106 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.939 113.2 45.4 -62.7 -47.8 29.5 33.8 19.8 104 107 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.903 110.9 54.7 -63.3 -39.1 30.4 30.6 21.8 105 108 A D H X S+ 0 0 74 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.932 109.5 46.5 -59.2 -45.4 29.4 32.3 25.0 106 109 A K H X S+ 0 0 55 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.822 114.7 48.3 -65.1 -35.4 26.0 33.1 23.7 107 110 A I H < S+ 0 0 1 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.879 108.8 51.9 -74.9 -38.2 25.5 29.6 22.3 108 111 A I H < S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.856 112.7 45.3 -67.9 -33.5 26.7 27.9 25.5 109 112 A N H < S+ 0 0 86 -4,-1.6 2,-1.4 -5,-0.2 -1,-0.2 0.586 88.1 87.7 -88.1 -9.9 24.2 29.9 27.7 110 113 A A < + 0 0 0 -4,-0.6 -1,-0.2 -3,-0.4 3,-0.1 -0.214 65.4 177.7 -83.1 49.9 21.2 29.5 25.4 111 114 A I - 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