==== 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/HYDROLASE INHIBITOR 11-FEB-08 3C8B . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN A LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR D.KUMARAN,S.SWAMINATHAN . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.7 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 34 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 2 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 0 PARALLEL BRIDGES PER LADDER . 3 3 3 3 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 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 M 0 0 177 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.5 8.8 46.0 40.1 2 2 A P - 0 0 66 0, 0.0 3,-0.1 0, 0.0 94,-0.1 -0.231 360.0-126.0 -62.8 155.6 10.0 42.3 40.0 3 3 A F S S+ 0 0 4 1,-0.2 2,-0.7 89,-0.1 93,-0.0 0.875 105.1 46.1 -68.7 -37.8 13.7 41.6 40.6 4 4 A V S S- 0 0 2 1,-0.1 -1,-0.2 88,-0.1 35,-0.1 -0.917 72.8-166.8-109.1 106.7 13.9 39.7 37.3 5 5 A N S S+ 0 0 135 -2,-0.7 2,-0.4 33,-0.4 -1,-0.1 0.780 70.4 49.9 -65.1 -29.8 12.2 41.7 34.5 6 6 A K S S- 0 0 102 32,-0.2 2,-1.5 -4,-0.0 -1,-0.1 -0.934 73.4-137.7-118.9 137.5 12.0 38.9 32.0 7 7 A Q - 0 0 139 -2,-0.4 82,-0.1 85,-0.0 -2,-0.0 -0.660 36.2-153.5 -89.3 82.2 10.8 35.3 32.4 8 8 A F - 0 0 10 -2,-1.5 2,-0.4 80,-0.1 84,-0.1 -0.135 11.0-152.5 -58.0 149.4 13.5 33.6 30.5 9 9 A N > - 0 0 66 1,-0.1 3,-2.5 79,-0.1 76,-0.1 -0.976 23.2-126.9-120.8 134.2 13.1 30.2 28.8 10 10 A Y T 3 S+ 0 0 16 -2,-0.4 -1,-0.1 1,-0.3 72,-0.1 0.849 109.8 53.1 -51.2 -36.7 16.3 28.1 28.5 11 11 A K T 3 S+ 0 0 156 70,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.401 76.6 125.8 -82.9 3.4 15.7 27.8 24.8 12 12 A D S < S- 0 0 44 -3,-2.5 3,-0.1 1,-0.1 -4,-0.0 -0.383 73.7 -98.7 -61.0 138.3 15.3 31.5 24.1 13 13 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.285 39.6-105.8 -61.6 141.1 17.7 32.5 21.4 14 14 A V - 0 0 67 1,-0.1 6,-0.2 -3,-0.1 20,-0.0 -0.354 32.9-178.6 -65.4 146.4 21.0 34.1 22.5 15 15 A N - 0 0 58 4,-3.0 5,-0.2 -3,-0.1 -1,-0.1 0.336 43.0-117.6-126.7 0.7 21.3 37.8 21.9 16 16 A G S S+ 0 0 5 3,-1.9 4,-0.2 123,-0.2 125,-0.1 0.587 100.0 66.0 72.4 8.9 24.8 38.5 23.2 17 17 A V S S- 0 0 84 2,-0.5 3,-0.1 122,-0.1 -1,-0.1 0.636 120.9 -6.3-122.5 -71.9 23.5 40.7 25.9 18 18 A D S S+ 0 0 29 1,-0.3 19,-2.5 18,-0.1 2,-0.4 0.398 137.0 46.3-111.2 0.2 21.4 39.1 28.6 19 19 A I E S+A 36 0A 8 17,-0.2 -4,-3.0 2,-0.1 -3,-1.9 -0.917 85.5 131.6-138.1 106.6 21.2 35.6 26.9 20 20 A A E -A 35 0A 1 15,-2.2 15,-3.2 -2,-0.4 2,-0.4 -0.993 60.3-103.7-157.0 162.1 24.7 34.6 25.8 21 21 A Y E +A 34 0A 105 117,-0.3 117,-2.5 -2,-0.3 2,-0.3 -0.762 51.4 178.7 -86.7 132.2 27.4 32.0 25.6 22 22 A I E -AB 33 137A 0 11,-2.7 11,-2.3 -2,-0.4 2,-0.4 -0.870 27.1-145.3-135.0 168.0 30.1 32.9 28.1 23 23 A K E - B 0 136A 54 113,-1.9 113,-2.8 -2,-0.3 6,-0.0 -0.983 18.4-141.2-131.9 142.0 33.4 31.8 29.5 24 24 A I - 0 0 9 -2,-0.4 2,-2.3 111,-0.2 4,-0.3 -0.776 27.0-106.7-106.5 152.1 34.6 32.3 33.1 25 25 A P + 0 0 24 0, 0.0 109,-0.0 0, 0.0 110,-0.0 -0.402 61.3 143.1 -74.3 67.1 38.1 33.2 34.3 26 26 A N - 0 0 18 -2,-2.3 3,-0.1 2,-0.2 106,-0.0 0.224 69.8-116.2 -90.2 13.4 39.0 29.8 35.7 27 27 A A S S+ 0 0 112 1,-0.2 2,-0.2 -3,-0.1 105,-0.0 0.724 89.7 75.7 58.6 21.5 42.6 30.2 34.5 28 28 A G S S- 0 0 39 -4,-0.3 2,-0.3 23,-0.1 -1,-0.2 -0.709 88.4 -78.1-142.0-166.7 41.9 27.2 32.2 29 29 A Q + 0 0 184 -2,-0.2 2,-0.3 -3,-0.1 -6,-0.0 -0.814 47.2 155.7-106.3 145.4 40.2 26.2 29.0 30 30 A M - 0 0 22 -2,-0.3 3,-0.1 3,-0.0 21,-0.0 -0.982 42.7-107.0-160.9 155.5 36.4 25.5 28.6 31 31 A Q - 0 0 159 -2,-0.3 -9,-0.1 1,-0.1 -2,-0.0 -0.634 54.6 -92.2 -83.6 146.5 33.7 25.5 26.0 32 32 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.270 41.0-149.9 -59.8 146.9 31.3 28.4 26.2 33 33 A V E -A 22 0A 12 -11,-2.3 -11,-2.7 -3,-0.1 2,-0.4 -0.932 20.4-108.5-120.6 143.8 28.2 27.8 28.3 34 34 A K E +A 21 0A 17 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.572 45.6 178.6 -73.3 125.5 24.8 29.4 27.8 35 35 A A E -A 20 0A 0 -15,-3.2 -15,-2.2 -2,-0.4 2,-0.4 -0.895 20.9-143.4-130.3 159.8 24.0 32.0 30.6 36 36 A F E -AC 19 44A 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.9 -0.982 8.7-144.6-127.8 129.1 21.3 34.4 31.5 37 37 A K E + C 0 43A 51 -19,-2.5 6,-0.2 -2,-0.4 3,-0.1 -0.817 22.6 174.5 -93.2 105.4 21.6 37.8 33.1 38 38 A I E - 0 0 8 4,-1.1 -33,-0.4 -2,-0.9 2,-0.3 0.635 64.7 -2.1 -87.5 -15.1 18.6 38.1 35.4 39 39 A H E > S- C 0 42A 55 3,-1.4 3,-2.8 -35,-0.1 -1,-0.2 -0.968 99.5 -60.1-167.1 159.3 19.5 41.4 36.9 40 40 A N T 3 S+ 0 0 91 -2,-0.3 109,-0.1 1,-0.3 3,-0.1 -0.254 125.0 0.3 -49.1 127.4 22.2 44.1 36.8 41 41 A K T 3 S+ 0 0 31 107,-0.2 110,-2.2 1,-0.1 109,-2.0 0.480 113.5 103.9 69.4 6.3 25.4 42.3 37.9 42 42 A I E < +Cd 39 151A 0 -3,-2.8 -3,-1.4 108,-0.2 -4,-1.1 -0.962 43.4 175.8-128.4 123.0 23.7 38.9 38.4 43 43 A W E -Cd 37 152A 0 108,-2.6 110,-2.2 -2,-0.5 2,-0.4 -0.830 17.3-149.4-121.4 158.0 23.9 35.9 36.1 44 44 A V E -Cd 36 153A 0 -8,-2.5 -8,-2.4 -2,-0.3 110,-0.2 -0.997 4.9-167.9-128.5 127.6 22.6 32.4 36.2 45 45 A I E - d 0 154A 2 108,-2.9 2,-2.5 -2,-0.4 110,-1.0 -0.927 11.9-154.1-116.0 103.0 24.4 29.4 34.5 46 46 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 108,-0.1 -0.316 60.0 104.1 -75.5 59.8 22.1 26.4 34.4 47 47 A E E S- 0 0 34 -2,-2.5 108,-1.9 -14,-0.1 2,-0.2 -0.956 81.5 -99.5-136.7 154.8 25.0 23.9 34.3 48 48 A R E - d 0 155A 11 30,-0.4 2,-1.3 -2,-0.3 109,-0.2 -0.538 52.2-105.6 -69.2 140.3 26.6 21.6 36.8 49 49 A D + 0 0 0 107,-0.9 109,-0.2 106,-0.8 -1,-0.1 -0.560 68.4 136.9 -79.3 96.7 29.7 23.4 38.1 50 50 A T + 0 0 43 -2,-1.3 -1,-0.2 107,-0.1 6,-0.1 0.017 67.3 65.1-118.5 20.4 32.7 21.7 36.4 51 51 A F S S+ 0 0 32 5,-0.1 -2,-0.1 4,-0.1 -23,-0.1 0.801 83.7 57.9-113.8 -44.1 34.3 25.1 35.8 52 52 A T S S+ 0 0 20 1,-0.3 -2,-0.1 4,-0.1 115,-0.1 0.801 120.2 32.0 -63.0 -27.4 35.2 27.0 38.9 53 53 A N > - 0 0 43 3,-0.2 3,-2.1 1,-0.1 -1,-0.3 -0.886 67.8-165.2-133.8 101.6 37.5 24.1 40.0 54 54 A P G > S+ 0 0 100 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.692 91.3 63.3 -58.1 -19.4 39.1 22.2 37.1 55 55 A E G 3 S+ 0 0 180 1,-0.2 3,-0.1 2,-0.1 -4,-0.1 0.215 99.2 56.6 -90.7 14.9 39.9 19.4 39.6 56 56 A E G < + 0 0 70 -3,-2.1 -1,-0.2 -6,-0.1 102,-0.2 -0.303 66.4 115.4-137.7 47.4 36.2 18.9 40.2 57 57 A G < + 0 0 45 -3,-0.6 2,-0.6 100,-0.1 -7,-0.1 0.347 51.1 94.5 -99.8 5.3 35.0 18.2 36.6 58 58 A D + 0 0 101 1,-0.1 100,-0.2 -3,-0.1 -3,-0.0 -0.879 41.2 173.6-103.1 114.7 33.9 14.6 37.4 59 59 A L + 0 0 30 -2,-0.6 15,-0.3 16,-0.1 -1,-0.1 0.593 45.6 114.2 -91.8 -13.9 30.2 14.2 38.2 60 60 A N S S- 0 0 99 15,-0.1 -2,-0.1 14,-0.1 98,-0.1 -0.343 70.8-119.4 -61.9 134.3 30.4 10.4 38.2 61 61 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.591 24.5-124.0 -79.2 129.8 29.8 8.9 41.7 62 62 A P - 0 0 56 0, 0.0 4,-0.2 0, 0.0 5,-0.1 -0.045 51.0 -62.0 -61.5 174.3 32.6 6.8 43.2 63 63 A P > - 0 0 94 0, 0.0 4,-0.7 0, 0.0 3,-0.3 -0.139 53.1-102.6 -58.4 157.5 31.9 3.2 44.2 64 64 A E T 4 S+ 0 0 188 1,-0.3 2,-1.1 2,-0.2 3,-0.4 0.775 120.2 67.2 -51.2 -28.4 29.3 2.5 47.0 65 65 A A T 4 S+ 0 0 96 1,-0.2 -1,-0.3 0, 0.0 3,-0.1 -0.377 101.8 45.6 -91.5 55.4 32.2 2.0 49.3 66 66 A K T 4 S+ 0 0 152 -2,-1.1 2,-0.3 -3,-0.3 -1,-0.2 0.317 76.1 109.5-162.4 -28.4 33.3 5.6 49.2 67 67 A Q < - 0 0 77 -4,-0.7 -1,-0.1 -3,-0.4 4,-0.1 -0.499 55.2-153.5 -67.6 123.0 30.2 7.7 49.6 68 68 A V - 0 0 93 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.576 30.0 -77.4 -72.2-141.8 30.3 9.5 53.0 69 69 A P S S+ 0 0 43 0, 0.0 2,-1.4 0, 0.0 354,-0.1 0.854 111.2 33.1 -91.0 -86.6 27.3 10.7 55.1 70 70 A V S S+ 0 0 11 352,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.612 94.9 99.6 -80.6 90.4 25.7 13.9 54.0 71 71 A S - 0 0 0 -2,-1.4 2,-0.3 -3,-0.2 302,-0.1 -0.960 46.8-161.1-166.5 153.5 26.1 13.8 50.2 72 72 A Y - 0 0 44 -2,-0.3 88,-2.3 2,-0.0 89,-0.5 -0.962 8.6-164.0-148.0 126.7 24.1 12.9 47.1 73 73 A Y B +H 159 0B 60 -2,-0.3 2,-0.1 86,-0.2 86,-0.1 -0.896 22.4 151.6-117.3 141.5 25.3 12.0 43.6 74 74 A D > - 0 0 48 84,-0.5 3,-1.6 -2,-0.4 -14,-0.1 -0.575 20.7-166.5-164.5 92.5 23.6 11.9 40.3 75 75 A S T 3 S+ 0 0 42 1,-0.3 -15,-0.1 -2,-0.1 -16,-0.1 0.665 87.6 57.9 -59.0 -18.0 25.8 12.6 37.3 76 76 A T T > S+ 0 0 81 -17,-0.1 3,-1.0 3,-0.0 -1,-0.3 0.622 75.7 116.2 -89.9 -14.6 22.7 13.0 35.0 77 77 A Y T < S+ 0 0 4 -3,-1.6 -29,-0.1 1,-0.2 -3,-0.1 -0.329 85.5 7.5 -59.9 131.8 21.1 15.8 37.0 78 78 A L T 3 S+ 0 0 2 -31,-0.1 -30,-0.4 -2,-0.1 -1,-0.2 0.865 93.1 117.6 65.2 41.4 20.8 19.1 35.0 79 79 A S < + 0 0 71 -3,-1.0 2,-0.3 -32,-0.1 -2,-0.1 0.533 59.0 69.3-110.4 -12.7 22.0 17.5 31.8 80 80 A T S > S- 0 0 68 -4,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.715 82.9-119.1-108.9 160.7 18.8 18.1 29.7 81 81 A D H > S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.867 113.5 53.8 -62.5 -39.7 17.2 21.3 28.3 82 82 A N H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.3 48.8 -63.8 -39.5 14.0 20.8 30.2 83 83 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 111.9 48.7 -65.9 -39.4 16.0 20.5 33.5 84 84 A K H X S+ 0 0 22 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.870 110.6 51.2 -68.9 -34.9 17.9 23.6 32.7 85 85 A D H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 113.1 44.9 -65.3 -46.0 14.7 25.5 31.8 86 86 A N H X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.848 111.7 53.6 -67.0 -34.1 13.2 24.4 35.2 87 87 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.942 109.5 47.6 -64.9 -48.1 16.4 25.3 37.0 88 88 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.926 114.7 45.6 -59.3 -47.3 16.4 28.8 35.5 89 89 A K H X S+ 0 0 69 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.847 113.2 51.2 -65.9 -34.7 12.7 29.3 36.4 90 90 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.926 111.0 46.1 -69.3 -45.7 13.3 27.9 39.9 91 91 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.922 113.0 50.4 -63.9 -43.0 16.2 30.1 40.7 92 92 A T H X S+ 0 0 11 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.916 108.2 53.1 -62.1 -40.6 14.4 33.2 39.4 93 93 A K H X S+ 0 0 24 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.890 108.6 49.7 -61.5 -40.4 11.3 32.3 41.5 94 94 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.875 107.9 53.2 -68.6 -35.7 13.5 32.2 44.6 95 95 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.912 110.6 48.0 -64.5 -39.1 15.1 35.5 43.8 96 96 A E H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.908 110.5 51.0 -66.7 -40.7 11.6 37.0 43.6 97 97 A R H < S+ 0 0 5 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.926 114.2 44.3 -61.8 -44.1 10.5 35.4 46.9 98 98 A I H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 6,-0.4 0.936 113.7 49.8 -65.2 -45.8 13.6 36.8 48.6 99 99 A Y H 3< S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 97.5 69.6 -65.3 -26.1 13.1 40.2 46.9 100 100 A S T 3< S+ 0 0 63 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.575 91.2 73.3 -69.6 -10.6 9.4 40.4 48.0 101 101 A T S <> S- 0 0 17 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 -0.770 87.3-125.8-103.2 150.7 10.5 40.8 51.6 102 102 A D H > S+ 0 0 99 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.925 112.5 50.0 -60.5 -40.5 12.0 44.0 53.0 103 103 A L H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.910 111.3 47.5 -63.7 -44.0 15.1 42.0 54.2 104 104 A G H > S+ 0 0 0 -6,-0.4 4,-2.8 2,-0.2 5,-0.2 0.870 110.8 51.8 -66.2 -36.5 15.6 40.3 50.9 105 105 A R H X S+ 0 0 98 -4,-2.4 4,-1.9 -7,-0.3 -1,-0.2 0.914 111.7 47.6 -64.8 -41.0 15.3 43.6 49.1 106 106 A M H X S+ 0 0 56 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.946 113.8 46.9 -65.1 -47.4 17.9 45.1 51.4 107 107 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.926 113.3 47.0 -59.9 -48.4 20.2 42.2 51.0 108 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.849 110.6 53.1 -64.8 -34.0 20.0 42.1 47.2 109 109 A T H X S+ 0 0 60 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.940 109.7 48.5 -66.1 -44.5 20.5 45.9 47.0 110 110 A S H X S+ 0 0 13 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.899 111.2 51.6 -61.2 -39.2 23.6 45.5 49.1 111 111 A I H < S+ 0 0 0 -4,-2.3 3,-0.4 2,-0.2 -1,-0.2 0.930 110.2 46.5 -65.0 -44.9 24.8 42.7 46.8 112 112 A V H < S+ 0 0 23 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.867 114.1 48.6 -65.7 -35.3 24.3 44.7 43.6 113 113 A R H < S+ 0 0 92 -4,-2.3 2,-1.5 1,-0.2 -1,-0.2 0.673 90.9 89.2 -76.4 -16.3 26.0 47.7 45.1 114 114 A G < + 0 0 0 -4,-1.0 -1,-0.2 -3,-0.4 3,-0.1 -0.172 59.2 172.9 -80.1 46.8 28.9 45.4 46.2 115 115 A I - 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