==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JUN-08 3DEB . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN C1 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR R.RAWAT,D.KUMARAN,S.SWAMINATHAN . 432 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 12.3 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 22.0 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 0 0 0 2 0 0 0 0 2 1 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 5 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 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 -2 A S 0 0 28 0, 0.0 2,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 29.6 -57.5 20.9 5.8 2 -1 A H + 0 0 184 2,-0.1 108,-0.0 3,-0.0 0, 0.0 0.342 360.0 45.3 -4.9 -43.4 -58.5 21.4 9.3 3 1 A M S S- 0 0 157 -2,-0.4 0, 0.0 107,-0.0 0, 0.0 -0.994 110.2-100.0-111.3 102.4 -56.7 24.6 10.1 4 2 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.057 35.5-124.1 -28.8 124.0 -57.4 26.9 7.1 5 3 A I - 0 0 18 -4,-0.1 2,-0.4 95,-0.1 105,-0.1 -0.500 27.2-173.6 -75.1 136.4 -54.5 27.1 4.6 6 4 A T - 0 0 99 -2,-0.2 2,-0.4 35,-0.0 91,-0.0 -0.998 19.5-132.4-132.1 134.8 -53.1 30.5 3.8 7 5 A I - 0 0 18 -2,-0.4 35,-0.2 35,-0.1 34,-0.1 -0.741 23.0-125.0 -90.8 132.1 -50.5 31.1 1.1 8 6 A N - 0 0 48 33,-2.4 2,-0.4 -2,-0.4 -1,-0.0 -0.418 19.0-137.6 -73.3 150.5 -47.5 33.2 2.0 9 7 A N + 0 0 105 -2,-0.1 2,-0.3 85,-0.0 81,-0.1 -0.902 27.0 175.8-111.0 138.6 -46.6 36.3 -0.1 10 8 A F - 0 0 18 -2,-0.4 2,-0.4 76,-0.1 83,-0.1 -0.961 31.4-151.0-143.0 159.0 -43.1 37.2 -1.1 11 9 A N > - 0 0 69 -2,-0.3 3,-2.0 1,-0.1 75,-0.1 -0.942 36.3-123.8-118.9 140.3 -40.9 39.6 -3.1 12 10 A Y T 3 S+ 0 0 22 -2,-0.4 -1,-0.1 1,-0.3 71,-0.1 0.833 112.3 57.8 -57.3 -29.2 -37.7 37.8 -4.2 13 11 A S T 3 S+ 0 0 97 69,-0.0 -1,-0.3 2,-0.0 69,-0.0 0.560 75.7 123.6 -78.4 -9.7 -35.8 40.5 -2.5 14 12 A D < - 0 0 43 -3,-2.0 3,-0.1 1,-0.1 -4,-0.0 -0.267 69.5-104.6 -54.6 136.0 -37.4 39.8 0.9 15 13 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.227 33.7 -95.3 -65.0 150.4 -34.6 39.1 3.5 16 14 A V + 0 0 57 1,-0.1 6,-0.2 2,-0.1 21,-0.0 -0.404 39.0 179.6 -61.0 136.8 -33.8 35.6 4.9 17 15 A D - 0 0 72 4,-1.5 -1,-0.1 -3,-0.1 5,-0.1 0.232 43.0-119.3-126.0 9.3 -35.7 35.1 8.1 18 16 A N S S+ 0 0 131 3,-1.2 4,-0.1 1,-0.1 -2,-0.1 0.733 102.8 59.7 57.9 23.8 -34.5 31.6 8.9 19 17 A K S S+ 0 0 129 2,-0.4 -1,-0.1 21,-0.0 3,-0.1 0.485 119.7 4.4-139.1 -60.4 -38.2 30.5 8.8 20 18 A N S S+ 0 0 33 1,-0.2 20,-2.6 19,-0.1 2,-0.4 0.456 127.9 49.8-112.9 -8.8 -39.9 31.1 5.4 21 19 A I E S+A 39 0A 7 18,-0.2 -4,-1.5 -6,-0.0 -3,-1.2 -0.972 70.4 141.9-136.0 118.8 -37.0 32.4 3.4 22 20 A L E -A 38 0A 10 16,-1.8 16,-3.7 -2,-0.4 2,-0.5 -0.942 49.8-107.9-149.1 168.6 -33.7 30.6 3.3 23 21 A Y E -AB 37 141A 43 118,-0.6 118,-2.4 -2,-0.3 2,-0.3 -0.902 43.2-168.2-103.1 127.2 -30.8 29.6 1.1 24 22 A L E -AB 36 140A 0 12,-3.2 12,-3.1 -2,-0.5 2,-0.4 -0.822 25.2-156.8-120.6 158.6 -30.8 25.9 0.3 25 23 A D E + B 0 139A 35 114,-2.0 114,-1.5 -2,-0.3 -2,-0.0 -0.930 12.7 175.6-131.6 103.6 -28.5 23.3 -1.2 26 24 A T - 0 0 8 -2,-0.4 -1,-0.1 112,-0.2 111,-0.1 0.604 35.8-136.5 -84.0 -13.8 -30.5 20.4 -2.6 27 25 A H S S+ 0 0 103 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.787 87.8 82.6 61.1 28.5 -27.4 18.7 -4.1 28 26 A L + 0 0 6 1,-0.1 2,-1.0 107,-0.0 -1,-0.1 0.556 57.8 90.5-132.6 -23.6 -29.5 18.1 -7.2 29 27 A N > - 0 0 12 1,-0.2 3,-1.6 23,-0.1 25,-0.2 -0.704 49.0-170.8 -86.7 104.5 -29.5 21.2 -9.4 30 28 A T T 3 S+ 0 0 46 23,-2.2 -1,-0.2 -2,-1.0 27,-0.2 0.632 86.1 61.2 -67.4 -13.1 -26.5 21.0 -11.8 31 29 A L T 3 S+ 0 0 49 22,-0.3 2,-0.5 20,-0.1 -1,-0.3 0.631 88.1 90.3 -86.3 -15.0 -27.1 24.6 -12.8 32 30 A A < + 0 0 35 -3,-1.6 4,-0.1 21,-0.2 -5,-0.0 -0.720 41.6 171.0 -90.3 126.6 -26.5 25.8 -9.2 33 31 A N S S+ 0 0 163 -2,-0.5 -1,-0.1 1,-0.1 -3,-0.0 0.478 74.5 19.2-106.8 -9.1 -23.0 26.7 -8.2 34 32 A E S S- 0 0 121 -10,-0.1 -1,-0.1 1,-0.0 -10,-0.1 -0.933 106.4 -55.4-150.7 168.9 -24.0 28.2 -4.8 35 33 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.131 53.7-130.8 -50.9 145.4 -27.0 28.0 -2.4 36 34 A E E -A 24 0A 14 -12,-3.1 -12,-3.2 -4,-0.1 2,-0.3 -0.864 15.9-117.5-105.6 133.3 -30.4 28.9 -3.9 37 35 A K E -A 23 0A 16 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.501 39.0-171.0 -69.4 129.3 -32.8 31.3 -2.3 38 36 A A E -A 22 0A 0 -16,-3.7 -16,-1.8 -2,-0.3 2,-0.4 -0.896 13.9-154.6-126.0 153.7 -36.0 29.5 -1.4 39 37 A F E -AC 21 47A 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.8 -0.987 19.0-127.9-130.9 136.6 -39.5 30.6 -0.1 40 38 A R E - C 0 46A 54 -20,-2.6 6,-0.2 -2,-0.4 -32,-0.2 -0.735 18.8-173.8 -86.4 110.1 -42.0 28.6 1.9 41 39 A I E S- 0 0 0 4,-1.7 -33,-2.4 -2,-0.8 2,-0.2 0.945 70.8 -39.0 -66.6 -48.6 -45.4 28.7 0.1 42 40 A T E > S- C 0 45A 15 3,-1.4 3,-2.2 -35,-0.2 -1,-0.3 -0.832 103.8 -26.4-176.6 139.2 -47.1 27.0 3.0 43 41 A G T 3 S- 0 0 31 1,-0.3 71,-0.2 -2,-0.2 -1,-0.1 -0.195 127.6 -13.5 51.7-129.3 -46.2 24.1 5.4 44 42 A N T 3 S+ 0 0 44 69,-1.8 113,-2.6 71,-0.1 114,-1.7 0.097 110.0 104.4 -93.5 23.3 -43.7 21.8 3.7 45 43 A I E < +Cd 42 158A 0 -3,-2.2 -4,-1.7 112,-0.2 -3,-1.4 -0.928 49.0 177.9-106.6 120.0 -44.1 23.2 0.2 46 44 A W E -Cd 40 159A 3 112,-2.7 114,-3.0 -2,-0.6 2,-0.4 -0.795 17.6-149.3-118.8 161.5 -41.2 25.4 -0.9 47 45 A V E -Cd 39 160A 0 -8,-2.5 -8,-2.4 -2,-0.3 114,-0.2 -0.998 8.5-172.6-135.4 131.7 -40.4 27.2 -4.1 48 46 A I E - d 0 161A 2 112,-3.0 2,-2.0 -2,-0.4 114,-0.7 -0.956 19.2-149.8-120.5 103.9 -36.9 28.0 -5.6 49 47 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 39,-0.1 -0.151 59.0 108.4 -71.9 46.2 -37.5 30.3 -8.6 50 48 A D S S- 0 0 14 -2,-2.0 112,-2.4 112,-0.1 -2,-0.1 -0.821 78.2 -96.7-119.5 160.1 -34.4 29.1 -10.5 51 49 A R - 0 0 15 28,-0.3 2,-0.4 -2,-0.3 113,-0.2 -0.428 45.0-149.7 -69.1 151.8 -34.0 27.0 -13.6 52 50 A F + 0 0 3 111,-1.9 2,-0.3 110,-0.2 113,-0.1 -0.966 19.3 173.1-130.6 143.8 -33.3 23.4 -12.7 53 51 A S - 0 0 0 -2,-0.4 -23,-2.2 111,-0.2 -22,-0.3 -0.995 27.6-168.3-149.0 152.8 -31.3 20.6 -14.4 54 52 A R + 0 0 97 -2,-0.3 2,-0.3 -25,-0.2 -1,-0.1 0.324 63.6 104.7-117.3 -0.5 -30.1 17.1 -13.7 55 53 A N S S- 0 0 93 1,-0.1 2,-0.1 4,-0.0 -2,-0.0 -0.661 74.6-119.8 -87.5 137.6 -27.7 17.0 -16.7 56 54 A S S S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.494 101.5 15.0 -71.0 143.6 -24.0 17.2 -16.1 57 55 A N S S- 0 0 154 -27,-0.2 -1,-0.3 -2,-0.1 -26,-0.1 0.975 98.9-152.8 54.2 55.9 -22.6 20.3 -18.0 58 56 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.267 17.5-170.3 -63.9 147.3 -26.1 21.6 -18.4 59 57 A N - 0 0 94 2,-0.1 -28,-0.0 -3,-0.1 -4,-0.0 -0.973 15.2-168.9-141.1 122.1 -27.0 23.9 -21.3 60 58 A L + 0 0 21 -2,-0.4 15,-0.4 16,-0.1 17,-0.1 0.356 53.6 114.5 -92.7 5.2 -30.3 25.8 -21.6 61 59 A N S S- 0 0 83 1,-0.1 14,-0.1 14,-0.1 -2,-0.1 -0.364 83.2 -84.7 -74.7 156.8 -29.7 26.8 -25.2 62 60 A K - 0 0 85 12,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.374 53.7-108.9 -59.7 130.6 -31.9 25.6 -28.0 63 61 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 11,-0.0 -0.382 15.9-148.3 -65.4 139.7 -30.6 22.2 -29.1 64 62 A P S S+ 0 0 109 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 0.941 86.4 61.4 -71.6 -46.8 -28.9 22.2 -32.6 65 63 A R S S- 0 0 185 1,-0.1 2,-0.5 -3,-0.0 0, 0.0 -0.292 86.4-132.7 -70.9 163.3 -30.0 18.6 -33.2 66 64 A V + 0 0 74 1,-0.2 -1,-0.1 2,-0.0 366,-0.0 -0.817 33.6 163.5-126.5 92.3 -33.8 18.0 -33.3 67 65 A T + 0 0 133 -2,-0.5 -1,-0.2 2,-0.0 0, 0.0 0.986 47.7 88.9 -66.0 -78.7 -34.8 15.0 -31.2 68 66 A S + 0 0 32 1,-0.2 3,-0.1 2,-0.2 -2,-0.0 0.043 35.0 165.8 49.7-162.6 -38.6 15.7 -30.9 69 67 A P S S+ 0 0 37 0, 0.0 190,-0.2 0, 0.0 191,-0.2 -0.998 80.9 95.9 -64.8 -10.3 -41.4 15.3 -32.2 70 68 A K S S- 0 0 101 1,-0.1 -2,-0.2 189,-0.1 2,-0.1 -0.191 88.6-111.0 -47.5 128.0 -42.1 16.5 -28.6 71 69 A S - 0 0 15 -3,-0.1 2,-0.3 97,-0.1 -1,-0.1 -0.366 40.7-170.6 -65.2 141.9 -42.7 20.3 -28.8 72 70 A G - 0 0 2 -3,-0.1 360,-2.4 95,-0.1 2,-0.4 -0.989 20.1-167.1-140.4 147.8 -40.0 22.4 -27.1 73 71 A Y B -H 431 0B 14 -2,-0.3 94,-2.4 358,-0.2 2,-0.4 -0.994 16.5-170.1-132.6 124.0 -39.4 26.0 -26.1 74 72 A Y + 0 0 35 356,-2.6 -12,-0.2 -2,-0.4 92,-0.1 -0.950 19.7 157.0-124.5 137.7 -35.9 27.1 -25.2 75 73 A D > - 0 0 37 -2,-0.4 3,-1.3 90,-0.4 -14,-0.1 -0.759 20.4-164.7-155.9 101.1 -34.5 30.3 -23.6 76 74 A P T 3 S+ 0 0 45 0, 0.0 -15,-0.1 0, 0.0 -16,-0.1 0.662 92.2 53.0 -63.5 -14.1 -31.2 30.2 -21.8 77 75 A N T > S+ 0 0 107 -17,-0.1 3,-2.2 2,-0.1 4,-0.4 0.549 74.9 118.3 -99.0 -9.8 -32.0 33.6 -20.2 78 76 A Y T < S+ 0 0 11 -3,-1.3 -27,-0.1 1,-0.3 -3,-0.1 -0.426 92.5 2.9 -62.0 124.7 -35.5 32.8 -18.8 79 77 A L T 3 S+ 0 0 4 -2,-0.2 -28,-0.3 -29,-0.1 -1,-0.3 0.685 96.2 121.1 71.0 22.0 -35.3 33.3 -15.0 80 78 A S < + 0 0 69 -3,-2.2 2,-0.2 -30,-0.1 -2,-0.1 0.815 63.0 60.4 -83.2 -31.1 -31.6 34.4 -15.2 81 79 A T S > S- 0 0 66 -4,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.651 84.9-123.3 -98.8 154.8 -32.3 37.8 -13.6 82 80 A D H > S+ 0 0 104 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.850 114.9 59.3 -60.9 -33.7 -33.7 38.5 -10.1 83 81 A S H > S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 106.0 47.9 -60.8 -41.4 -36.5 40.5 -11.8 84 82 A D H > S+ 0 0 55 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.917 111.5 49.8 -64.2 -45.5 -37.4 37.3 -13.6 85 83 A K H X S+ 0 0 30 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.862 106.8 55.3 -62.9 -37.8 -37.4 35.3 -10.4 86 84 A D H X S+ 0 0 36 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.914 111.0 44.4 -62.6 -43.7 -39.5 37.8 -8.6 87 85 A T H X S+ 0 0 56 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.924 114.5 48.7 -66.8 -44.7 -42.2 37.5 -11.3 88 86 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.927 111.0 51.2 -59.9 -47.1 -42.0 33.7 -11.4 89 87 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.919 111.7 46.6 -56.4 -47.0 -42.2 33.6 -7.6 90 88 A K H X S+ 0 0 60 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.815 109.6 54.8 -68.4 -29.5 -45.3 35.8 -7.6 91 89 A E H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.941 108.9 46.9 -68.3 -46.6 -46.9 33.8 -10.4 92 90 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 113.3 50.0 -60.1 -45.0 -46.5 30.5 -8.4 93 91 A I H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.926 110.8 48.5 -59.5 -46.4 -47.9 32.2 -5.3 94 92 A K H X S+ 0 0 21 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.877 109.8 52.5 -63.2 -38.3 -50.9 33.6 -7.2 95 93 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.891 107.5 51.8 -65.8 -38.4 -51.6 30.2 -8.7 96 94 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.881 107.5 52.7 -65.4 -36.6 -51.6 28.5 -5.3 97 95 A K H < S+ 0 0 67 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.915 111.2 46.6 -64.3 -41.4 -54.1 31.1 -4.1 98 96 A R H >< S+ 0 0 1 -4,-2.0 3,-1.2 2,-0.2 4,-0.3 0.905 112.0 50.0 -67.5 -40.2 -56.4 30.3 -7.0 99 97 A I H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 6,-0.3 0.926 109.3 53.6 -61.1 -41.5 -56.0 26.6 -6.4 100 98 A N T 3< S+ 0 0 28 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.521 89.1 80.1 -71.2 -6.7 -56.8 27.3 -2.7 101 99 A S T < S+ 0 0 47 -3,-1.2 2,-0.4 -4,-0.3 -1,-0.2 0.619 89.8 58.1 -77.7 -13.2 -60.0 29.0 -3.7 102 100 A R S <> S- 0 0 45 -3,-1.3 4,-2.4 -4,-0.3 3,-0.4 -0.921 88.5-120.6-117.4 145.9 -61.9 25.7 -4.2 103 101 A E H > S+ 0 0 177 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.870 111.9 50.5 -50.0 -47.3 -62.3 23.0 -1.5 104 102 A I H > S+ 0 0 23 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 112.0 48.4 -63.0 -36.7 -60.6 20.3 -3.5 105 103 A G H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.3 5,-0.2 0.879 108.9 52.5 -69.9 -38.0 -57.6 22.6 -4.1 106 104 A E H X S+ 0 0 57 -4,-2.4 4,-2.7 -7,-0.3 -2,-0.2 0.916 111.9 46.5 -63.3 -41.1 -57.4 23.5 -0.4 107 105 A E H X S+ 0 0 47 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.887 110.0 53.8 -67.5 -39.5 -57.3 19.8 0.5 108 106 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.951 113.9 41.6 -59.0 -49.3 -54.7 19.1 -2.2 109 107 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.916 112.3 55.2 -65.3 -43.1 -52.5 21.8 -0.7 110 108 A Y H X S+ 0 0 65 -4,-2.7 4,-1.2 -5,-0.2 5,-0.3 0.946 111.7 43.8 -55.4 -50.7 -53.2 20.8 2.9 111 109 A R H >X S+ 0 0 19 -4,-2.8 4,-2.0 1,-0.2 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