==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 04-OCT-12 4HEQ . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR Y.C.HSIEH,C.J.CHEN . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.8 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 . 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 . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 2 4 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 2 A P 0 0 85 0, 0.0 30,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.0 43.9 -20.4 46.1 2 3 A K E -a 31 0A 70 28,-0.2 48,-2.3 46,-0.2 49,-1.3 -0.914 360.0-166.6-122.0 133.5 45.9 -20.7 43.1 3 4 A A E -ab 32 51A 0 28,-2.3 30,-3.2 -2,-0.4 2,-0.5 -0.957 6.4-156.5-116.5 132.5 45.7 -18.6 39.9 4 5 A L E -ab 33 52A 3 47,-2.4 49,-3.3 -2,-0.4 2,-0.5 -0.970 6.0-168.7-104.0 128.3 47.4 -19.5 36.5 5 6 A I E -ab 34 53A 0 28,-2.9 30,-2.7 -2,-0.5 2,-0.5 -0.977 6.5-176.9-115.7 114.4 48.1 -16.6 34.2 6 7 A V E -ab 35 54A 0 47,-2.7 49,-2.9 -2,-0.5 2,-0.4 -0.966 10.5-175.4-113.8 122.1 49.1 -17.8 30.7 7 8 A Y E -ab 36 55A 17 28,-2.1 30,-3.2 -2,-0.5 2,-0.5 -0.902 25.9-156.2-128.7 148.9 50.1 -15.1 28.1 8 9 A G E + b 0 56A 0 47,-2.1 49,-1.4 -2,-0.4 2,-0.3 -0.982 31.3 158.7-115.2 124.1 51.1 -14.7 24.5 9 10 A S - 0 0 12 -2,-0.5 -2,-0.1 47,-0.2 47,-0.0 -0.953 27.2-177.3-150.5 127.9 53.0 -11.5 23.9 10 11 A T S S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.853 93.1 24.4 -96.2 -31.9 55.4 -10.5 21.1 11 12 A T S S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.381 112.7-103.2-115.0 6.0 56.5 -7.0 22.3 12 13 A G S > S+ 0 0 25 3,-0.0 4,-2.4 4,-0.0 5,-0.2 0.380 87.6 115.3 95.6 0.3 55.9 -7.5 26.0 13 14 A N H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.978 83.1 37.7 -70.0 -47.5 52.7 -5.6 26.4 14 15 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.892 114.9 58.3 -73.9 -29.5 50.4 -8.4 27.4 15 16 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 105.5 48.4 -58.4 -46.5 53.3 -9.8 29.4 16 17 A G H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.872 111.3 50.4 -64.9 -34.8 53.5 -6.6 31.4 17 18 A V H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.948 108.0 53.1 -66.8 -45.1 49.7 -6.8 32.0 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.927 110.3 47.8 -51.6 -47.3 50.0 -10.4 33.1 19 20 A E H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.908 111.0 50.9 -63.4 -43.3 52.7 -9.2 35.7 20 21 A A H X S+ 0 0 42 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.911 112.4 45.9 -65.9 -41.1 50.5 -6.3 36.9 21 22 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.946 110.5 53.3 -62.8 -45.6 47.5 -8.7 37.4 22 23 A A H X S+ 0 0 3 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.869 104.6 55.6 -57.4 -43.1 49.7 -11.2 39.2 23 24 A K H X S+ 0 0 141 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.921 110.9 45.4 -55.2 -47.4 51.0 -8.4 41.6 24 25 A T H X S+ 0 0 28 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.953 114.4 46.3 -61.0 -50.9 47.4 -7.7 42.6 25 26 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 -2,-0.2 0.929 114.2 47.9 -59.8 -43.6 46.3 -11.3 43.0 26 27 A N H ><5S+ 0 0 77 -4,-3.0 3,-1.9 1,-0.2 -1,-0.2 0.928 109.8 52.4 -66.7 -40.1 49.5 -12.2 45.0 27 28 A S H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.7 53.9 -66.4 -26.2 49.0 -9.0 47.3 28 29 A E T 3<5S- 0 0 121 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.208 130.8 -93.1 -89.5 11.6 45.3 -10.3 47.9 29 30 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.432 80.4 132.3 95.1 3.5 46.6 -13.8 49.0 30 31 A M < - 0 0 12 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.485 56.7-129.1 -81.9 152.9 46.6 -15.9 45.9 31 32 A E E -a 2 0A 117 -30,-2.7 -28,-2.3 -2,-0.2 2,-0.5 -0.941 35.2-162.3 -96.7 114.0 49.5 -18.0 44.8 32 33 A T E -a 3 0A 20 -2,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.908 16.0-163.4-106.8 130.1 50.0 -16.9 41.2 33 34 A T E -a 4 0A 47 -30,-3.2 -28,-2.9 -2,-0.5 2,-0.5 -0.921 11.2-163.9-105.7 124.0 51.9 -18.8 38.6 34 35 A V E +a 5 0A 46 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.946 14.6 171.5-109.1 128.6 52.8 -16.7 35.5 35 36 A V E -a 6 0A 33 -30,-2.7 -28,-2.1 -2,-0.5 2,-0.5 -0.992 34.4-124.5-140.0 141.8 53.8 -18.4 32.4 36 37 A N E > -a 7 0A 32 -2,-0.4 3,-2.7 -30,-0.2 4,-0.2 -0.676 24.0-134.3 -78.8 128.8 54.5 -17.5 28.8 37 38 A V G > S+ 0 0 4 -30,-3.2 3,-1.4 -2,-0.5 -29,-0.2 0.775 102.1 72.6 -58.2 -24.0 52.4 -19.6 26.5 38 39 A A G 3 S+ 0 0 50 -31,-0.4 -1,-0.3 1,-0.3 -30,-0.1 0.758 99.2 48.4 -57.4 -24.2 55.5 -20.2 24.4 39 40 A D G < S+ 0 0 125 -3,-2.7 2,-0.3 2,-0.0 -1,-0.3 0.358 103.6 70.3 -99.2 -2.6 56.8 -22.5 27.2 40 41 A V < - 0 0 33 -3,-1.4 2,-0.3 -4,-0.2 33,-0.0 -0.737 61.8-143.5-114.2 163.1 53.7 -24.7 27.8 41 42 A T - 0 0 116 -2,-0.3 4,-0.1 2,-0.2 32,-0.1 -0.901 27.6-119.5-117.4 153.5 51.7 -27.4 26.1 42 43 A A S > S+ 0 0 7 -2,-0.3 3,-2.4 2,-0.1 4,-0.3 0.839 74.6 105.4 -60.2 -43.9 47.9 -27.6 26.3 43 44 A P T 3 S- 0 0 84 0, 0.0 37,-0.3 0, 0.0 -2,-0.2 -0.190 103.8 -14.4 -56.8 121.3 47.2 -31.0 27.9 44 45 A G T > S+ 0 0 21 35,-2.8 3,-2.0 1,-0.1 36,-0.2 0.572 87.3 144.3 72.1 7.8 46.2 -30.6 31.5 45 46 A L T < S+ 0 0 32 -3,-2.4 36,-0.2 1,-0.3 35,-0.1 0.812 71.2 44.6 -48.9 -43.5 47.3 -26.9 31.7 46 47 A A T > S+ 0 0 2 34,-2.8 3,-2.0 -4,-0.3 -1,-0.3 0.471 81.2 128.3 -83.1 -6.4 44.5 -25.8 34.0 47 48 A E T < S+ 0 0 143 -3,-2.0 3,-0.1 1,-0.3 35,-0.0 -0.310 76.5 10.2 -67.2 131.9 44.6 -28.7 36.4 48 49 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.400 97.2 119.5 85.7 -3.5 44.8 -27.7 40.0 49 50 A Y < - 0 0 36 -3,-2.0 -1,-0.3 1,-0.1 37,-0.2 -0.810 54.5-152.3 -96.0 146.9 44.1 -24.0 39.5 50 51 A D S S+ 0 0 78 -48,-2.3 36,-0.5 -2,-0.4 2,-0.3 0.736 87.1 11.3 -81.6 -27.7 41.2 -22.2 41.0 51 52 A V E -bc 3 86A 0 -49,-1.3 -47,-2.4 34,-0.1 2,-0.5 -0.989 65.5-155.5-149.7 145.9 41.2 -19.7 38.2 52 53 A V E -bc 4 87A 3 34,-2.5 36,-2.0 -2,-0.3 2,-0.5 -0.984 6.6-161.4-122.4 125.1 42.9 -19.5 34.8 53 54 A L E -bc 5 88A 0 -49,-3.3 -47,-2.7 -2,-0.5 2,-0.6 -0.935 6.1-158.6-109.4 123.5 43.6 -16.1 33.1 54 55 A L E -bc 6 89A 2 34,-2.7 36,-2.5 -2,-0.5 2,-0.4 -0.920 10.2-172.2-105.8 116.5 44.3 -16.3 29.4 55 56 A G E +bc 7 90A 0 -49,-2.9 -47,-2.1 -2,-0.6 2,-0.3 -0.939 12.3 159.2-113.4 133.2 46.1 -13.3 28.0 56 57 A C E -b 8 0A 0 34,-2.2 -47,-0.2 -2,-0.4 48,-0.1 -0.891 28.4-139.2-157.3 130.5 46.7 -12.8 24.3 57 58 A S - 0 0 8 -49,-1.4 10,-1.8 -2,-0.3 2,-0.5 -0.324 26.1-116.4 -79.1 165.7 47.5 -9.9 22.0 58 59 A T E +F 66 0B 27 34,-1.6 8,-0.2 8,-0.2 2,-0.1 -0.891 43.8 155.8-108.2 123.3 46.0 -9.3 18.5 59 60 A W E +F 65 0B 111 6,-3.0 6,-1.6 -2,-0.5 8,-0.1 -0.291 9.1 128.7-121.3-153.0 48.3 -9.4 15.6 60 61 A G - 0 0 18 4,-0.2 5,-0.1 -2,-0.1 149,-0.1 0.473 51.5-126.6 92.8 117.8 47.9 -10.2 11.9 61 62 A D S S+ 0 0 145 1,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.837 104.3 8.3 -56.6 -41.3 49.1 -7.9 9.1 62 63 A D S S+ 0 0 102 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.764 132.7 2.1-114.4 -37.2 45.8 -7.8 7.4 63 64 A E S S- 0 0 55 1,-0.1 2,-0.6 35,-0.0 148,-0.2 -0.180 99.5 -39.0-133.4-149.2 43.1 -9.4 9.5 64 65 A I B +G 210 0C 0 146,-2.0 146,-2.9 -2,-0.1 2,-0.4 -0.789 56.4 163.0 -94.2 125.7 42.7 -11.1 13.0 65 66 A E E -F 59 0B 56 -6,-1.6 -6,-3.0 -2,-0.6 38,-0.2 -0.998 35.0-125.3-127.5 141.7 45.6 -13.3 14.2 66 67 A L E -F 58 0B 2 -2,-0.4 -8,-0.2 -8,-0.2 5,-0.1 -0.579 50.4 -81.8 -68.8 149.9 46.2 -14.5 17.7 67 68 A Q >> - 0 0 1 -10,-1.8 3,-1.4 -2,-0.2 4,-1.1 -0.195 53.2-112.9 -46.1 134.0 49.7 -13.8 19.0 68 69 A E T 34 S+ 0 0 129 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.799 111.5 51.7 -60.0 -32.4 51.8 -16.6 17.5 69 70 A D T 3> S+ 0 0 37 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.789 107.4 55.1 -74.7 -21.6 52.7 -18.5 20.6 70 71 A F H X> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 3,-0.5 0.787 86.6 82.5 -79.8 -26.5 49.1 -18.6 21.7 71 72 A V H 3X S+ 0 0 25 -4,-1.1 4,-2.9 1,-0.3 5,-0.2 0.879 90.6 46.9 -50.4 -49.3 47.8 -20.2 18.5 72 73 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.889 112.4 50.8 -67.0 -32.0 48.8 -23.9 19.4 73 74 A L H << S+ 0 0 6 -3,-0.5 -2,-0.2 -4,-0.5 7,-0.1 0.922 112.2 47.3 -65.2 -45.6 47.2 -23.5 22.8 74 75 A Y H >< S+ 0 0 9 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.936 110.8 52.1 -59.1 -45.5 44.0 -22.1 21.2 75 76 A E H 3< S+ 0 0 79 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.857 121.5 31.3 -63.8 -35.2 44.0 -25.0 18.7 76 77 A D T >< S+ 0 0 75 -4,-1.8 3,-2.2 -5,-0.2 -1,-0.3 -0.016 79.7 123.3-109.3 27.1 44.3 -27.6 21.4 77 78 A L G X + 0 0 2 -3,-1.4 3,-1.7 1,-0.3 5,-0.4 0.765 62.3 72.5 -64.9 -25.6 42.4 -25.7 24.1 78 79 A D G 3 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.643 96.2 51.6 -59.6 -17.1 40.0 -28.7 24.4 79 80 A R G < S+ 0 0 150 -3,-2.2 -35,-2.8 1,-0.2 -1,-0.3 0.433 86.6 86.5 -94.4 -5.1 42.8 -30.6 26.1 80 81 A A S < S- 0 0 2 -3,-1.7 -34,-2.8 -37,-0.3 -33,-0.2 0.575 98.7-114.5 -82.6 -5.5 43.6 -27.9 28.7 81 82 A G + 0 0 34 -3,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 0.836 63.9 145.1 79.6 34.8 40.9 -29.0 31.4 82 83 A L > + 0 0 6 -5,-0.4 3,-2.4 2,-0.1 35,-0.2 0.566 24.3 121.3 -82.0 -8.4 38.7 -25.9 31.2 83 84 A K T 3 S- 0 0 142 1,-0.3 33,-0.2 -5,-0.1 32,-0.2 -0.366 94.5 -4.6 -59.4 122.3 35.4 -27.7 31.8 84 85 A D T 3 S+ 0 0 118 31,-2.6 2,-0.3 1,-0.2 -1,-0.3 0.571 104.7 135.8 69.7 14.4 33.8 -26.1 34.9 85 86 A K < - 0 0 40 -3,-2.4 32,-2.8 30,-0.1 2,-0.4 -0.714 62.1-118.3 -94.0 140.8 37.0 -24.0 35.4 86 87 A K E +cd 51 117A 67 -36,-0.5 -34,-2.5 -2,-0.3 2,-0.3 -0.669 44.5 178.7 -72.9 124.4 36.8 -20.3 36.3 87 88 A V E -cd 52 118A 0 30,-2.8 32,-2.8 -2,-0.4 33,-0.5 -0.962 20.2-170.5-131.9 144.7 38.5 -18.4 33.4 88 89 A G E -c 53 0A 0 -36,-2.0 -34,-2.7 -2,-0.3 2,-0.4 -0.992 12.2-151.1-128.6 147.3 39.1 -14.8 32.5 89 90 A V E +c 54 0A 0 -2,-0.4 34,-2.2 31,-0.4 2,-0.3 -0.955 20.7 163.5-118.9 137.1 40.4 -13.5 29.2 90 91 A F E +ce 55 123A 0 -36,-2.5 -34,-2.2 -2,-0.4 2,-0.3 -0.932 3.2 160.2-143.0 166.0 42.5 -10.4 28.6 91 92 A G E - e 0 124A 0 32,-1.7 34,-2.7 -2,-0.3 2,-0.3 -0.933 32.3-108.9-177.9 156.5 44.6 -9.0 25.9 92 93 A C E + e 0 125A 8 -2,-0.3 -34,-1.6 32,-0.2 2,-0.2 -0.736 45.2 131.8 -93.7 151.1 46.3 -6.0 24.3 93 94 A G E - e 0 126A 19 32,-2.5 34,-2.7 -2,-0.3 2,-0.3 -0.783 48.1-100.2-165.4-151.1 45.4 -4.4 21.1 94 95 A D > - 0 0 62 32,-0.3 3,-2.1 -2,-0.2 7,-0.2 -0.928 12.4-145.2-159.1 118.5 44.7 -1.1 19.4 95 96 A S T 3 S+ 0 0 64 -2,-0.3 5,-0.1 1,-0.3 31,-0.1 0.512 93.0 80.2 -75.6 1.3 41.2 0.4 18.7 96 97 A S T 3 S+ 0 0 107 3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.632 84.0 84.1 -67.9 -22.9 42.6 2.0 15.5 97 98 A Y S < S- 0 0 151 -3,-2.1 3,-0.3 1,-0.1 -3,-0.0 -0.653 88.6-124.1 -84.6 152.2 42.1 -1.6 14.1 98 99 A T S S+ 0 0 65 1,-0.2 2,-0.9 -2,-0.2 -1,-0.1 0.863 108.2 44.7 -54.1 -45.3 38.9 -2.9 12.7 99 100 A Y S > S- 0 0 14 -5,-0.1 3,-1.9 -36,-0.1 2,-0.4 -0.740 84.4-157.1-108.7 83.5 38.9 -5.9 15.1 100 101 A F T 3 S- 0 0 52 -2,-0.9 -5,-0.1 1,-0.3 -7,-0.1 -0.434 78.2 -17.7 -70.6 116.2 39.9 -4.4 18.4 101 102 A C T >> S+ 0 0 1 -2,-0.4 4,-1.3 -7,-0.2 3,-1.3 0.884 82.7 166.7 49.2 41.3 41.4 -7.2 20.5 102 103 A G H <> + 0 0 0 -3,-1.9 4,-2.0 1,-0.3 5,-0.2 0.807 67.8 65.4 -56.6 -25.9 39.8 -9.7 18.2 103 104 A A H 3> S+ 0 0 0 -38,-0.2 4,-2.4 -4,-0.2 -1,-0.3 0.892 99.0 53.5 -62.9 -34.5 42.0 -12.5 19.8 104 105 A V H <> S+ 0 0 0 -3,-1.3 4,-2.8 1,-0.2 5,-0.3 0.918 107.3 51.6 -63.5 -42.6 40.2 -11.9 23.1 105 106 A D H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.932 113.0 44.4 -55.3 -50.4 36.8 -12.4 21.3 106 107 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.911 115.4 45.4 -66.5 -45.0 37.9 -15.7 19.8 107 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.935 112.1 52.8 -66.8 -42.2 39.5 -17.1 22.9 108 109 A E H X S+ 0 0 10 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.935 109.4 48.7 -57.7 -48.2 36.6 -16.1 25.1 109 110 A K H X S+ 0 0 12 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.936 112.1 48.0 -62.5 -39.8 34.1 -17.8 22.8 110 111 A K H X S+ 0 0 37 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.930 107.5 55.2 -66.9 -43.1 36.1 -21.0 22.7 111 112 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -1,-0.2 0.929 110.1 47.5 -58.1 -42.0 36.5 -21.1 26.5 112 113 A E H ><5S+ 0 0 93 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.927 108.1 53.5 -68.6 -38.7 32.7 -21.0 26.9 113 114 A E H 3<5S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.861 106.2 55.3 -59.3 -28.9 32.1 -23.7 24.3 114 115 A L T 3<5S- 0 0 44 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.459 126.2-102.7 -85.4 3.2 34.5 -25.8 26.3 115 116 A G T < 5 + 0 0 23 -3,-1.7 -31,-2.6 1,-0.2 -3,-0.2 0.668 68.7 149.7 92.2 10.6 32.4 -25.3 29.5 116 117 A A < - 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