==== 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 THIAMINE-BINDING PROTEIN 19-APR-11 3RLB . COMPND 2 MOLECULE: THIT; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. CREMORIS; . AUTHOR G.B.ERKENS,R.P.-A.BERNTSSON,F.FULYANI,M.MAJSNEROWSKA,A.VUJIC . 353 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 2 0 0 2 0 1 1 0 0 0 0 0 3 0 1 0 0 0 0 0 0 2 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A N > 0 0 157 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -69.4 20.6 5.7 61.1 2 8 A V H > + 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 360.0 51.6 -68.2 -38.9 17.9 3.1 62.0 3 9 A R H > S+ 0 0 166 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.957 111.6 45.9 -55.2 -55.7 16.6 2.9 58.4 4 10 A L H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.944 114.9 47.3 -59.3 -48.8 20.0 2.3 56.9 5 11 A L H X S+ 0 0 111 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.845 110.5 50.8 -61.1 -40.1 21.0 -0.4 59.5 6 12 A T H X S+ 0 0 58 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.857 111.2 50.4 -67.8 -32.1 17.7 -2.3 59.3 7 13 A E H X S+ 0 0 39 -4,-1.9 4,-2.3 -3,-0.3 5,-0.2 0.907 109.9 48.7 -71.6 -42.5 18.1 -2.4 55.5 8 14 A I H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.961 116.1 45.5 -60.1 -46.8 21.7 -3.7 55.7 9 15 A A H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.917 113.1 47.1 -65.3 -47.8 20.4 -6.4 58.2 10 16 A F H X S+ 0 0 145 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.885 112.5 50.0 -64.1 -39.2 17.3 -7.4 56.3 11 17 A M H X S+ 0 0 40 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 111.5 48.9 -67.4 -38.2 19.3 -7.7 53.0 12 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.926 113.1 46.3 -64.6 -44.8 22.0 -9.9 54.7 13 19 A A H X S+ 0 0 39 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.868 112.9 50.8 -63.9 -38.8 19.4 -12.2 56.3 14 20 A L H X S+ 0 0 71 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.883 106.6 53.6 -65.6 -43.2 17.6 -12.4 52.9 15 21 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.946 111.3 48.0 -54.3 -43.8 20.8 -13.3 51.1 16 22 A F H < S+ 0 0 30 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.915 110.8 48.2 -65.1 -43.7 21.2 -16.1 53.7 17 23 A I H >< S+ 0 0 103 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.847 110.3 52.8 -66.2 -34.9 17.7 -17.5 53.3 18 24 A I H >< S+ 0 0 35 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.887 98.0 65.0 -70.5 -35.7 18.0 -17.4 49.5 19 25 A S T 3< S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.558 90.0 68.6 -62.4 -12.4 21.3 -19.5 49.8 20 26 A L T < S+ 0 0 86 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.496 77.2 98.8 -77.5 -10.9 19.2 -22.4 51.2 21 27 A I S < S- 0 0 88 -3,-2.3 12,-0.1 -4,-0.1 13,-0.1 -0.699 92.5-105.2 -79.4 126.5 17.5 -22.7 47.8 22 28 A P + 0 0 126 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.250 51.2 164.6 -50.2 130.2 19.1 -25.6 45.9 23 29 A N + 0 0 44 -4,-0.1 8,-2.3 9,-0.0 2,-0.4 0.151 20.7 125.9-141.3 21.7 21.4 -24.0 43.2 24 30 A T E +A 30 0A 91 6,-0.2 6,-0.3 1,-0.2 3,-0.1 -0.724 26.3 176.3 -93.0 130.7 23.8 -26.6 41.8 25 31 A V E S- 0 0 49 4,-3.0 2,-0.3 -2,-0.4 255,-0.2 0.854 80.8 -21.0 -88.2 -52.3 24.1 -27.2 38.1 26 32 A Y E > S-A 29 0A 126 3,-1.8 3,-2.7 1,-0.2 -1,-0.2 -0.866 108.1 -48.0-162.6 120.6 27.0 -29.7 38.4 27 33 A G T 3 S- 0 0 52 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.2 -0.242 128.0 -10.2 50.2-121.4 29.5 -30.1 41.3 28 34 A W T 3 S+ 0 0 92 -4,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.286 107.1 108.2 -91.5 10.1 30.7 -26.5 42.1 29 35 A I E < +A 26 0A 2 -3,-2.7 -4,-3.0 118,-0.1 -3,-1.8 -0.846 54.9 161.4 -82.7 113.0 29.2 -25.0 39.0 30 36 A I E -A 24 0A 15 -2,-0.7 2,-0.6 114,-0.3 122,-0.3 -0.815 49.0-126.0-135.2 164.8 26.4 -23.1 40.7 31 37 A V - 0 0 36 -8,-2.3 2,-1.8 -2,-0.3 3,-0.2 -0.928 26.5-156.1-117.7 100.3 23.9 -20.2 40.2 32 38 A E > + 0 0 28 -2,-0.6 3,-1.7 116,-0.4 4,-0.2 -0.487 28.2 160.3 -91.4 75.3 24.5 -17.9 43.2 33 39 A I G > + 0 0 47 -2,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.641 63.9 78.2 -63.0 -22.3 21.1 -16.1 43.5 34 40 A A G 3 S+ 0 0 2 1,-0.2 4,-0.5 -3,-0.2 -1,-0.3 0.648 79.9 70.5 -62.5 -18.4 21.9 -15.2 47.1 35 41 A C G X> S+ 0 0 0 -3,-1.7 4,-2.3 1,-0.2 3,-0.9 0.796 80.9 79.8 -61.5 -26.7 24.2 -12.4 45.8 36 42 A I H <> S+ 0 0 15 -3,-1.4 4,-2.8 1,-0.3 5,-0.2 0.881 85.8 51.0 -61.8 -44.7 21.1 -10.5 44.6 37 43 A P H 3> S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.850 112.2 48.5 -61.7 -30.2 20.1 -9.0 47.9 38 44 A I H <> S+ 0 0 0 -3,-0.9 4,-2.5 -4,-0.5 -2,-0.2 0.870 110.3 51.4 -76.1 -36.6 23.6 -7.7 48.5 39 45 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.937 111.3 47.7 -62.0 -45.5 23.7 -6.2 44.9 40 46 A L H X S+ 0 0 20 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.950 112.3 49.9 -59.9 -51.1 20.4 -4.5 45.5 41 47 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 5,-0.4 0.903 113.6 45.2 -51.4 -48.5 21.6 -3.1 48.9 42 48 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.902 111.9 50.9 -68.1 -40.9 24.9 -1.8 47.4 43 49 A L H < S+ 0 0 3 -4,-2.6 51,-0.6 -5,-0.2 -1,-0.2 0.905 118.6 38.3 -66.3 -34.8 23.2 -0.2 44.3 44 50 A R H < S+ 0 0 52 -4,-2.3 129,-0.6 -5,-0.2 -2,-0.2 0.913 131.0 23.7 -81.7 -42.9 20.7 1.6 46.5 45 51 A R H < S- 0 0 36 -4,-2.6 4,-0.3 1,-0.3 -3,-0.2 0.511 105.5-120.2-112.5 -10.0 22.8 2.6 49.6 46 52 A G X - 0 0 1 -4,-2.1 4,-1.8 -5,-0.4 -1,-0.3 -0.294 42.6 -41.5 105.2-179.3 26.4 2.7 48.2 47 53 A L H > S+ 0 0 66 43,-0.4 4,-2.2 1,-0.2 3,-0.2 0.914 127.0 45.7 -51.6 -59.8 29.8 1.1 48.6 48 54 A T H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 112.3 50.7 -59.7 -46.6 30.1 1.0 52.5 49 55 A A H > S+ 0 0 7 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.879 112.9 46.5 -53.5 -47.0 26.5 -0.4 53.0 50 56 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.2 37,-0.2 0.856 109.6 53.2 -65.4 -39.9 27.1 -3.2 50.6 51 57 A L H X S+ 0 0 56 -4,-2.2 4,-1.8 36,-0.2 -2,-0.2 0.929 112.6 45.1 -61.1 -43.0 30.5 -4.0 52.0 52 58 A V H X S+ 0 0 61 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 111.3 53.4 -74.2 -38.2 28.9 -4.3 55.4 53 59 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 109.8 47.1 -57.8 -45.5 26.0 -6.3 54.0 54 60 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 30,-0.2 30,-0.3 0.849 109.5 54.5 -67.1 -34.6 28.3 -8.8 52.4 55 61 A L H X S+ 0 0 69 -4,-1.8 4,-2.2 28,-0.2 -2,-0.2 0.959 110.6 45.9 -64.0 -45.6 30.4 -9.1 55.6 56 62 A I H X S+ 0 0 58 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.893 111.5 51.2 -66.8 -40.4 27.3 -10.0 57.6 57 63 A W H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.916 110.2 49.9 -58.2 -46.7 26.0 -12.5 55.0 58 64 A G H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.887 111.1 48.9 -62.8 -41.3 29.4 -14.2 55.0 59 65 A I H X S+ 0 0 68 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.922 109.4 52.0 -66.9 -44.2 29.4 -14.4 58.8 60 66 A L H X S+ 0 0 38 -4,-2.6 4,-1.6 1,-0.2 6,-0.3 0.930 107.5 53.4 -55.1 -47.9 25.8 -15.8 58.9 61 67 A S H <>S+ 0 0 9 -4,-2.4 5,-1.4 1,-0.2 6,-1.4 0.894 114.4 41.7 -54.2 -40.9 26.9 -18.5 56.4 62 68 A M H ><5S+ 0 0 49 -4,-1.6 3,-1.2 4,-0.2 -2,-0.2 0.900 114.0 48.3 -76.5 -42.9 29.8 -19.6 58.6 63 69 A I H 3<5S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.670 109.8 52.2 -80.3 -15.2 28.1 -19.5 62.0 64 70 A T T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.396 116.2-110.8 -91.9 2.0 25.0 -21.4 60.9 65 71 A G T < 5S+ 0 0 67 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.529 88.3 115.2 77.8 10.2 27.2 -24.3 59.5 66 72 A H < + 0 0 93 -5,-1.4 -4,-0.2 -6,-0.3 2,-0.2 0.627 49.5 92.5 -89.7 -8.8 26.2 -23.5 55.9 67 73 A A S S- 0 0 15 -6,-1.4 2,-0.8 -7,-0.1 8,-0.0 -0.512 74.7-129.9 -83.8 147.7 29.7 -22.5 54.7 68 74 A Y - 0 0 142 -2,-0.2 2,-0.4 7,-0.0 10,-0.1 -0.879 35.5-174.4 -98.2 104.7 32.1 -25.0 53.0 69 75 A I + 0 0 89 -2,-0.8 3,-0.1 1,-0.1 -2,-0.0 -0.855 28.1 164.4-111.6 125.6 35.4 -24.5 55.0 70 76 A L S S- 0 0 78 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.619 73.4 -17.4-108.7 -23.8 38.7 -26.2 54.3 71 77 A S S > S- 0 0 41 1,-0.1 4,-2.4 0, 0.0 -1,-0.4 -0.969 70.5 -91.3-166.6 172.8 40.9 -23.9 56.4 72 78 A L H > S+ 0 0 144 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.929 124.0 43.8 -56.5 -49.8 41.1 -20.5 58.1 73 79 A S H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 112.6 51.4 -71.5 -36.5 42.6 -18.7 55.1 74 80 A Q H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.926 111.3 48.7 -62.1 -43.7 40.2 -20.4 52.6 75 81 A A H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.896 109.6 52.6 -64.6 -41.2 37.3 -19.3 54.8 76 82 A F H X>S+ 0 0 118 -4,-2.2 5,-2.6 3,-0.2 4,-1.2 0.936 115.2 41.9 -55.8 -47.6 38.6 -15.8 55.0 77 83 A L H <>S+ 0 0 27 -4,-2.4 5,-2.0 3,-0.2 -2,-0.2 0.952 123.7 33.1 -69.7 -48.2 38.9 -15.6 51.2 78 84 A E H <5S+ 0 0 19 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.737 129.9 30.1 -87.7 -24.0 35.5 -17.3 50.3 79 85 A Y H <5S+ 0 0 39 -4,-2.7 -3,-0.2 -5,-0.3 -17,-0.2 0.416 131.1 26.4-118.3 1.5 33.3 -16.2 53.1 80 86 A L T X5S+ 0 0 41 -4,-1.2 4,-2.3 -5,-0.4 5,-0.2 0.574 128.1 31.4-114.6 -67.7 34.7 -12.8 54.1 81 87 A V H >4 S+ 0 0 4 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.915 115.9 53.4 -67.4 -38.5 30.8 -11.7 49.8 84 90 A V H >< S+ 0 0 35 -4,-2.3 3,-2.6 -30,-0.3 -30,-0.2 0.904 97.8 66.5 -55.2 -40.8 32.2 -8.3 50.9 85 91 A S H >< S+ 0 0 9 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.693 82.4 75.8 -62.5 -21.6 33.5 -7.7 47.4 86 92 A L G X< S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.5 -1,-0.3 0.760 77.1 77.1 -56.7 -28.3 29.9 -7.5 46.1 87 93 A G G X + 0 0 0 -3,-2.6 3,-2.4 -4,-0.3 -1,-0.3 0.668 69.1 84.6 -57.4 -16.6 29.7 -4.0 47.7 88 94 A I G X S+ 0 0 42 -3,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.770 72.8 75.4 -58.0 -25.7 31.7 -2.7 44.7 89 95 A A G X S+ 0 0 0 -3,-2.1 3,-2.2 1,-0.3 -1,-0.3 0.805 80.9 73.4 -50.3 -27.2 28.3 -2.5 43.0 90 96 A G G X S+ 0 0 4 -3,-2.4 3,-1.9 1,-0.3 -43,-0.4 0.723 76.0 72.9 -71.1 -17.1 27.8 0.5 45.2 91 97 A L G < S+ 0 0 117 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.734 97.6 53.4 -63.9 -20.7 30.2 2.6 43.1 92 98 A F G < S+ 0 0 61 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.184 78.5 139.9 -98.1 9.8 27.4 2.5 40.5 93 99 A R < - 0 0 92 -3,-1.9 2,-0.6 -51,-0.2 -49,-0.1 -0.288 47.0-139.6 -50.3 136.3 24.7 3.8 42.9 94 100 A Q - 0 0 25 -51,-0.6 79,-0.3 77,-0.5 -1,-0.1 -0.914 19.5-178.0-103.3 123.8 22.3 6.3 41.2 95 101 A K + 0 0 129 -2,-0.6 2,-0.3 77,-0.1 -1,-0.1 0.629 61.3 38.9 -93.0 -19.4 21.5 9.2 43.5 96 102 A T S S- 0 0 109 2,-0.2 -1,-0.1 76,-0.0 77,-0.0 -0.949 89.2 -54.0-139.8 154.6 19.0 11.1 41.4 97 103 A A S S+ 0 0 86 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 -0.261 94.5 50.6 -66.8 153.3 16.2 10.6 38.9 98 104 A P S S- 0 0 90 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.635 73.8-139.9 -86.2 151.9 15.8 9.1 36.4 99 105 A L - 0 0 36 -2,-0.1 2,-0.3 65,-0.1 -2,-0.1 -0.561 18.7-158.0 -66.6 126.0 17.0 5.6 37.2 100 106 A K > - 0 0 131 -2,-0.3 4,-0.6 1,-0.1 -6,-0.1 -0.832 16.0-140.7-103.9 148.6 18.8 4.1 34.2 101 107 A L H > S+ 0 0 68 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.848 90.7 71.4 -75.1 -35.1 19.2 0.4 33.7 102 108 A A H > S+ 0 0 59 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.877 95.8 48.8 -55.1 -47.6 22.9 0.5 32.5 103 109 A P H > S+ 0 0 30 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.893 109.8 54.2 -60.6 -36.6 24.5 1.4 35.8 104 110 A V H X S+ 0 0 1 -4,-0.6 4,-2.0 -3,-0.4 -2,-0.2 0.935 112.2 43.7 -57.8 -49.3 22.5 -1.4 37.5 105 111 A L H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.865 114.3 48.0 -63.4 -44.8 23.9 -3.8 34.9 106 112 A L H X S+ 0 0 93 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.933 112.0 50.6 -62.6 -49.2 27.5 -2.6 35.0 107 113 A G H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.939 113.0 46.0 -50.2 -47.0 27.5 -2.6 38.9 108 114 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.927 112.1 51.3 -64.7 -46.8 26.2 -6.1 38.9 109 115 A F H X S+ 0 0 21 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.944 114.3 42.7 -55.0 -53.7 28.7 -7.3 36.2 110 116 A V H X S+ 0 0 39 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.879 115.4 48.3 -62.9 -42.4 31.7 -5.9 38.0 111 117 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.916 114.1 44.6 -68.9 -42.9 30.6 -7.1 41.5 112 118 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.909 113.6 51.3 -70.1 -39.6 29.8 -10.7 40.4 113 119 A L H X S+ 0 0 95 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.888 111.8 48.2 -60.6 -43.2 33.1 -10.8 38.4 114 120 A L H X 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17.5 -41.3 11.6