==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 06-NOV-08 3F6S . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR M.GUELKER,Y.SHAMOO . 1176 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 871 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 219 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 0 0.0 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 . 89 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 8 0 0 1 7 4 0 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 8 2 5 8 16 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 . 10 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 0 0 0 0 1 1 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 49 0, 0.0 30,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.1 -21.3 -10.2 23.7 2 3 A K E -a 31 0A 48 28,-0.2 49,-2.2 46,-0.1 48,-2.0 -0.921 360.0-170.9-107.8 128.4 -19.1 -7.4 22.5 3 4 A V E -ab 32 51A 0 28,-2.4 30,-3.0 -2,-0.5 2,-0.6 -0.958 10.4-160.0-119.9 129.0 -19.1 -6.5 18.8 4 5 A L E -ab 33 52A 1 47,-2.2 49,-3.5 -2,-0.4 2,-0.7 -0.954 5.3-166.1-104.4 123.9 -16.7 -4.2 17.0 5 6 A I E -ab 34 53A 0 28,-3.1 30,-3.1 -2,-0.6 2,-0.5 -0.922 9.9-179.2-107.5 105.5 -18.0 -2.8 13.6 6 7 A V E -ab 35 54A 0 47,-2.2 49,-3.5 -2,-0.7 2,-0.3 -0.883 9.3-179.4-102.5 132.5 -15.1 -1.2 11.7 7 8 A F E -ab 36 55A 0 28,-2.0 30,-2.9 -2,-0.5 2,-0.5 -0.951 28.5-150.1-135.1 151.3 -16.0 0.3 8.4 8 9 A G E + b 0 56A 0 47,-1.0 49,-1.3 -2,-0.3 2,-0.4 -0.988 31.2 166.6-114.4 118.1 -14.3 2.0 5.5 9 10 A S + 0 0 13 -2,-0.5 -2,-0.1 47,-0.1 60,-0.0 -0.996 23.5 177.9-136.9 131.9 -16.8 4.4 3.8 10 11 A S S S+ 0 0 18 -2,-0.4 -1,-0.1 1160,-0.1 1164,-0.0 0.638 91.5 22.8-106.5 -20.5 -16.1 7.2 1.3 11 12 A T S S- 0 0 56 1163,-0.0 -1,-0.0 1159,-0.0 -2,-0.0 0.199 112.1-102.8-129.1 15.6 -19.7 8.4 0.6 12 13 A G S > S+ 0 0 28 116,-0.0 4,-2.2 1,-0.0 5,-0.1 0.391 89.8 113.7 85.9 -2.5 -21.4 7.2 3.8 13 14 A N H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 116,-0.4 0.972 85.4 34.2 -64.6 -57.8 -23.1 4.1 2.4 14 15 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 115.8 58.3 -65.8 -37.5 -21.2 1.4 4.3 15 16 A E H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 106.4 50.9 -52.1 -47.3 -21.0 3.8 7.2 16 17 A S H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 3,-0.4 0.943 108.3 48.3 -53.6 -57.9 -24.8 3.8 7.1 17 18 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.882 109.7 55.5 -51.6 -42.1 -25.0 -0.0 7.1 18 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.853 107.3 47.6 -61.7 -38.7 -22.6 -0.1 10.0 19 20 A Q H X S+ 0 0 54 -4,-1.8 4,-2.4 -3,-0.4 -2,-0.2 0.947 113.3 49.2 -66.6 -46.7 -24.9 2.3 12.1 20 21 A K H X S+ 0 0 50 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.927 109.8 50.2 -57.6 -50.5 -27.9 0.1 11.2 21 22 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.954 110.2 50.7 -55.0 -51.5 -26.1 -3.1 12.2 22 23 A E H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 111.7 49.5 -49.9 -43.9 -25.1 -1.5 15.5 23 24 A E H X S+ 0 0 48 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.967 115.3 41.0 -61.1 -55.0 -28.8 -0.5 16.0 24 25 A L H < S+ 0 0 52 -4,-3.1 4,-0.2 1,-0.2 -2,-0.2 0.871 117.2 48.7 -60.5 -40.2 -30.1 -4.0 15.2 25 26 A I H <>S+ 0 0 0 -4,-3.2 5,-1.4 -5,-0.3 3,-0.4 0.799 109.2 50.9 -77.0 -31.2 -27.4 -5.8 17.1 26 27 A A H ><5S+ 0 0 2 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 0.837 104.5 58.6 -71.0 -34.2 -27.8 -3.6 20.2 27 28 A A T 3<5S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.624 97.5 63.2 -65.7 -13.2 -31.5 -4.3 20.1 28 29 A G T 3 5S- 0 0 41 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.476 127.8-100.9 -89.8 -3.9 -30.4 -7.9 20.4 29 30 A G T < 5S+ 0 0 48 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.425 79.4 128.3 104.9 4.2 -28.9 -7.1 23.8 30 31 A H < - 0 0 22 -5,-1.4 2,-0.5 581,-0.1 -1,-0.3 -0.517 61.7-114.8 -99.6 156.2 -25.3 -6.8 22.9 31 32 A E E -a 2 0A 11 -30,-1.9 -28,-2.4 -2,-0.2 2,-0.4 -0.789 38.5-168.8 -84.1 125.5 -22.6 -4.1 23.5 32 33 A V E -a 3 0A 0 -2,-0.5 594,-0.6 -30,-0.2 2,-0.4 -0.934 14.7-164.2-119.1 139.3 -21.5 -2.7 20.2 33 34 A T E -aC 4 625A 7 -30,-3.0 -28,-3.1 -2,-0.4 2,-0.5 -0.996 9.6-155.6-119.0 130.9 -18.6 -0.4 19.3 34 35 A L E -a 5 0A 1 590,-1.2 2,-0.4 -2,-0.4 -28,-0.2 -0.893 15.9-177.8-105.2 128.9 -18.6 1.4 16.0 35 36 A L E -a 6 0A 32 -30,-3.1 -28,-2.0 -2,-0.5 2,-0.4 -0.984 24.8-137.2-135.2 126.1 -15.2 2.4 14.6 36 37 A N E > -a 7 0A 27 -2,-0.4 3,-2.0 -30,-0.2 4,-0.5 -0.670 19.4-137.5 -76.1 133.8 -14.3 4.3 11.4 37 38 A A T 3 S+ 0 0 6 -30,-2.9 3,-0.5 -2,-0.4 -29,-0.1 0.735 103.5 66.3 -66.0 -23.1 -11.3 2.6 9.8 38 39 A A T 3 S+ 0 0 56 -31,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.664 109.0 39.0 -67.9 -16.0 -9.8 6.0 9.2 39 40 A D S < S+ 0 0 120 -3,-2.0 2,-0.3 2,-0.0 -1,-0.2 0.431 97.4 105.5-110.8 -5.0 -9.5 6.3 13.0 40 41 A A - 0 0 22 -3,-0.5 2,-0.5 -4,-0.5 3,-0.1 -0.578 53.7-154.3 -88.8 139.8 -8.5 2.7 13.8 41 42 A S - 0 0 90 -2,-0.3 4,-0.1 1,-0.1 32,-0.1 -0.966 12.7-147.6-106.8 120.2 -5.1 1.4 14.8 42 43 A A > + 0 0 2 -2,-0.5 3,-2.6 2,-0.1 4,-0.3 0.861 65.8 107.3 -54.4 -42.2 -4.7 -2.3 13.8 43 44 A E T 3 S- 0 0 98 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.152 107.9 -23.6 -49.5 109.6 -2.4 -3.2 16.7 44 45 A N T > S+ 0 0 82 35,-2.9 3,-2.2 1,-0.1 -1,-0.3 0.651 89.0 151.0 64.1 18.1 -4.5 -5.3 19.1 45 46 A L T < + 0 0 27 -3,-2.6 36,-0.1 1,-0.3 -2,-0.1 0.767 67.1 52.3 -53.2 -31.0 -7.7 -3.8 17.8 46 47 A A T > S+ 0 0 0 34,-2.5 3,-2.2 -4,-0.3 -1,-0.3 0.507 74.7 131.9 -89.6 -4.9 -9.8 -6.9 18.5 47 48 A D T < S+ 0 0 88 -3,-2.2 3,-0.1 33,-0.4 34,-0.0 -0.252 79.2 9.7 -48.9 121.5 -8.8 -7.2 22.2 48 49 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.186 99.8 117.5 95.6 -17.1 -11.9 -7.7 24.3 49 50 A Y < - 0 0 37 -3,-2.2 -1,-0.3 1,-0.1 -46,-0.2 -0.644 49.4-161.0 -91.0 141.8 -14.3 -8.3 21.5 50 51 A D S S+ 0 0 81 -48,-2.0 36,-2.2 -2,-0.3 2,-0.3 0.832 83.4 16.2 -82.7 -36.5 -16.3 -11.5 20.9 51 52 A A E -bd 3 86A 0 -49,-2.2 -47,-2.2 34,-0.2 2,-0.4 -0.974 63.2-156.9-138.6 148.9 -17.0 -10.6 17.3 52 53 A V E -bd 4 87A 0 34,-2.5 36,-1.5 -2,-0.3 2,-0.5 -0.989 6.9-161.1-128.0 123.2 -15.6 -8.1 14.7 53 54 A L E -bd 5 88A 0 -49,-3.5 -47,-2.2 -2,-0.4 2,-0.6 -0.917 9.6-154.7-105.7 125.8 -17.6 -7.0 11.7 54 55 A F E -bd 6 89A 0 34,-2.4 36,-2.6 -2,-0.5 2,-0.4 -0.875 6.8-167.2-104.9 119.6 -15.7 -5.4 8.8 55 56 A G E +bd 7 90A 0 -49,-3.5 -47,-1.0 -2,-0.6 2,-0.3 -0.853 14.9 162.2-102.3 139.9 -17.3 -3.0 6.4 56 57 A C E -b 8 0A 1 34,-1.7 47,-0.2 -2,-0.4 48,-0.1 -0.829 26.0-142.1-159.8 117.9 -15.6 -2.0 3.1 57 58 A S - 0 0 10 -49,-1.3 10,-0.8 -2,-0.3 2,-0.4 -0.354 29.3-107.9 -76.4 160.8 -17.0 -0.4 -0.0 58 59 A A B +K 66 0B 26 34,-1.6 2,-0.3 8,-0.1 8,-0.2 -0.756 36.4 169.8 -97.7 133.0 -15.8 -1.4 -3.5 59 60 A W - 0 0 47 6,-1.9 6,-0.2 -2,-0.4 34,-0.0 -0.746 8.3-175.4-142.9 89.9 -13.6 0.9 -5.6 60 61 A G + 0 0 44 -2,-0.3 5,-0.4 4,-0.1 -1,-0.1 0.812 60.6 62.1 -57.7 -37.8 -12.2 -0.8 -8.7 61 62 A M S S- 0 0 157 3,-0.1 4,-0.5 4,-0.1 -2,-0.1 0.464 110.2 -10.4 -77.2-148.3 -10.0 2.0 -10.0 62 63 A E S S+ 0 0 123 2,-0.1 2,-0.2 1107,-0.1 -1,-0.1 0.612 114.4 82.8 -11.7 -56.2 -6.9 3.8 -8.8 63 64 A D S S- 0 0 28 1,-0.1 2,-2.5 2,-0.1 -4,-0.1 -0.387 101.1-104.8 -69.8 130.7 -7.4 2.3 -5.4 64 65 A L S S- 0 0 126 1,-0.2 2,-2.7 -2,-0.2 -1,-0.1 -0.297 72.8 -78.8 -52.4 75.2 -6.0 -1.2 -4.8 65 66 A E S S+ 0 0 75 -2,-2.5 -6,-1.9 -4,-0.5 -1,-0.2 -0.000 111.2 83.2 42.1 -25.5 -9.6 -2.6 -5.0 66 67 A M B S-K 58 0B 13 -2,-2.7 -8,-0.1 -8,-0.2 5,-0.1 -0.566 90.5 -87.1-100.7 162.2 -10.6 -1.5 -1.4 67 68 A Q > - 0 0 1 -10,-0.8 4,-1.7 -2,-0.2 3,-0.4 -0.404 47.3-112.4 -58.2 139.9 -11.8 1.7 0.2 68 69 A D H >> S+ 0 0 54 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.887 112.4 42.1 -36.3 -69.0 -8.8 3.9 1.3 69 70 A D H 3> S+ 0 0 50 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.774 115.6 52.4 -62.6 -26.7 -9.1 3.8 5.1 70 71 A F H 3> S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.767 101.9 57.5 -82.8 -25.1 -9.8 0.0 4.9 71 72 A L H < S+ 0 0 6 -4,-0.9 3,-1.6 2,-0.2 -2,-0.2 0.893 111.6 54.2 -79.9 -42.9 -6.2 -1.5 8.0 74 75 A F H >< S+ 0 0 27 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.844 100.5 61.2 -60.8 -35.8 -6.6 -4.7 6.0 75 76 A E T 3< S+ 0 0 129 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.545 106.8 47.0 -71.3 -7.0 -2.9 -4.7 5.2 76 77 A E T X S+ 0 0 71 -3,-1.6 3,-2.1 -5,-0.1 4,-0.4 -0.025 73.5 127.9-118.5 28.7 -2.2 -5.0 9.0 77 78 A F G X + 0 0 5 -3,-1.8 3,-1.3 1,-0.3 4,-0.4 0.824 66.3 60.6 -55.3 -34.3 -4.8 -7.7 9.5 78 79 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.491 99.1 58.0 -76.2 -1.7 -2.4 -10.0 11.4 79 80 A R G < S+ 0 0 90 -3,-2.1 -35,-2.9 1,-0.1 -1,-0.3 0.550 88.9 77.2 -98.3 -11.5 -1.8 -7.3 14.0 80 81 A I S < S- 0 0 1 -3,-1.3 -34,-2.5 -4,-0.4 -33,-0.4 0.826 99.5-116.8 -74.7 -35.6 -5.5 -7.2 15.0 81 82 A G + 0 0 29 -4,-0.4 -3,-0.1 -36,-0.1 -2,-0.1 0.809 55.3 153.3 100.0 44.1 -5.8 -10.3 17.1 82 83 A L > + 0 0 4 -5,-0.4 3,-2.0 2,-0.1 35,-0.2 0.625 28.3 117.1 -86.1 -15.6 -8.3 -12.3 15.0 83 84 A A T 3 S+ 0 0 73 1,-0.3 33,-0.3 33,-0.1 32,-0.2 -0.361 90.7 2.8 -55.3 118.4 -7.3 -15.8 16.1 84 85 A G T 3 S+ 0 0 67 31,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.343 106.0 115.5 89.4 -6.6 -10.3 -17.4 17.9 85 86 A R < - 0 0 64 -3,-2.0 32,-2.4 -4,-0.1 2,-0.3 -0.578 69.2-110.7 -96.3 159.0 -12.7 -14.5 17.4 86 87 A K E -de 51 117A 73 -36,-2.2 -34,-2.5 -2,-0.2 2,-0.3 -0.699 39.9-177.7 -87.9 138.8 -15.9 -14.4 15.3 87 88 A V E +de 52 118A 0 30,-2.6 32,-2.4 -2,-0.3 33,-0.5 -0.961 13.4 172.6-137.8 153.6 -15.8 -12.4 12.2 88 89 A A E -d 53 0A 0 -36,-1.5 -34,-2.4 -2,-0.3 2,-0.3 -0.965 17.7-141.1-152.6 159.0 -18.1 -11.3 9.4 89 90 A A E +d 54 0A 0 31,-0.3 34,-2.5 -2,-0.3 2,-0.3 -0.950 16.2 175.3-130.6 147.6 -17.9 -8.9 6.4 90 91 A F E +df 55 123A 1 -36,-2.6 -34,-1.7 -2,-0.3 2,-0.3 -0.986 5.7 176.2-145.4 154.0 -20.2 -6.5 4.7 91 92 A A E - f 0 124A 0 32,-2.1 34,-0.9 -2,-0.3 2,-0.4 -0.967 25.7-134.5-149.5 164.5 -19.9 -3.9 1.9 92 93 A S E + f 0 125A 5 -2,-0.3 -34,-1.6 32,-0.1 34,-0.2 -0.967 45.9 129.8-117.5 143.2 -21.7 -1.4 -0.3 93 94 A G E - f 0 126A 18 32,-1.6 34,-0.6 -2,-0.4 2,-0.3 -0.741 51.2 -85.8-162.2-156.3 -20.9 -1.5 -4.0 94 95 A D > - 0 0 44 -2,-0.2 3,-1.8 5,-0.2 7,-0.1 -0.951 10.6-149.9-145.8 122.7 -22.5 -1.5 -7.5 95 96 A Q T 3 S+ 0 0 123 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.669 94.9 73.0 -57.9 -22.0 -23.6 -4.5 -9.6 96 97 A E T 3 S+ 0 0 157 3,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.457 84.5 84.1 -78.8 1.2 -22.8 -2.6 -12.8 97 98 A Y S < S- 0 0 114 -3,-1.8 3,-0.2 1,-0.1 -4,-0.0 -0.744 88.8-120.9-101.6 151.2 -19.1 -3.1 -12.0 98 99 A E S S+ 0 0 173 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.932 104.9 42.6 -58.0 -45.6 -17.3 -6.2 -13.0 99 100 A H S > S- 0 0 108 -3,-0.0 3,-0.7 -5,-0.0 2,-0.6 -0.852 80.9-155.5-111.1 101.2 -16.3 -7.1 -9.4 100 101 A F T 3 S- 0 0 33 -2,-0.7 -5,-0.1 1,-0.3 -7,-0.1 -0.637 71.1 -26.2 -82.8 117.2 -19.2 -6.6 -7.0 101 102 A C T > S+ 0 0 1 -2,-0.6 3,-1.7 1,-0.1 -1,-0.3 0.878 76.2 172.8 46.4 46.9 -18.1 -5.9 -3.4 102 103 A G T <> + 0 0 22 -3,-0.7 4,-1.0 1,-0.3 -1,-0.1 0.666 66.0 71.1 -55.8 -22.2 -14.9 -7.9 -3.9 103 104 A A H 3> S+ 0 0 5 -47,-0.2 4,-2.6 -38,-0.2 -1,-0.3 0.792 85.2 71.0 -65.9 -26.4 -13.6 -6.9 -0.4 104 105 A V H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.973 100.9 40.1 -55.2 -62.3 -16.2 -9.2 1.1 105 106 A P H > S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.764 115.8 52.8 -58.8 -29.4 -14.5 -12.5 0.1 106 107 A A H X S+ 0 0 24 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.887 107.6 49.4 -75.0 -42.3 -11.0 -11.2 0.8 107 108 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.977 114.8 45.0 -57.7 -52.4 -11.8 -10.0 4.3 108 109 A E H X S+ 0 0 38 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.879 113.1 53.6 -57.0 -38.2 -13.4 -13.5 5.0 109 110 A E H X S+ 0 0 112 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.930 113.4 38.6 -65.7 -48.0 -10.4 -15.1 3.4 110 111 A R H X S+ 0 0 111 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.925 113.9 53.7 -72.8 -46.2 -7.7 -13.4 5.4 111 112 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.9 -5,-0.3 3,-1.0 0.958 109.7 49.0 -48.7 -55.1 -9.6 -13.5 8.7 112 113 A K H ><5S+ 0 0 123 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.866 108.4 53.8 -56.6 -39.8 -10.0 -17.2 8.3 113 114 A E H 3<5S+ 0 0 137 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 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