==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR 06-MAR-98 1SEK . COMPND 2 MOLECULE: SERPIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: MANDUCA SEXTA; . AUTHOR J.LI,Z.WANG,B.CANAGARAJAH,H.JIANG,M.KANOST,E.J.GOLDSMITH . 376 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 2 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 1 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 11 A G > 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 173.0 19.6 -6.6 -7.3 2 12 A E H > + 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.835 360.0 59.7 -58.9 -35.8 18.1 -3.9 -5.1 3 13 A T H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 110.1 41.5 -58.7 -47.9 14.6 -5.5 -5.4 4 14 A D H > S+ 0 0 101 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.863 113.0 53.7 -68.9 -37.2 15.9 -8.8 -3.9 5 15 A L H X S+ 0 0 39 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 109.2 48.2 -63.7 -43.8 18.0 -7.0 -1.3 6 16 A Q H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.873 111.2 52.8 -64.3 -36.0 15.0 -5.0 -0.0 7 17 A K H X S+ 0 0 92 -4,-1.6 4,-2.6 -5,-0.2 5,-0.2 0.935 107.6 48.8 -64.6 -49.1 13.1 -8.2 0.1 8 18 A I H X S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 112.6 49.7 -56.7 -45.1 15.6 -10.1 2.2 9 19 A L H X S+ 0 0 6 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.936 109.9 50.6 -59.6 -48.8 15.7 -7.1 4.6 10 20 A R H X S+ 0 0 43 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.927 112.6 45.9 -55.8 -49.9 11.9 -7.1 4.8 11 21 A E H X S+ 0 0 81 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.905 113.7 49.6 -60.8 -44.0 11.7 -10.8 5.6 12 22 A S H X S+ 0 0 7 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.940 112.3 45.8 -61.6 -50.2 14.5 -10.5 8.2 13 23 A N H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.855 109.9 58.3 -62.7 -34.0 13.0 -7.5 10.0 14 24 A D H X S+ 0 0 33 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.953 112.9 34.5 -62.5 -52.8 9.6 -9.3 10.0 15 25 A Q H X S+ 0 0 35 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.845 119.6 51.2 -73.2 -33.0 10.7 -12.4 11.8 16 26 A F H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.930 110.0 50.1 -69.0 -43.6 13.2 -10.6 14.1 17 27 A T H X S+ 0 0 15 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.939 111.1 48.5 -59.2 -48.2 10.6 -8.0 15.0 18 28 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.934 114.2 47.1 -57.7 -46.9 8.0 -10.7 15.9 19 29 A Q H X S+ 0 0 69 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.926 114.6 44.7 -61.2 -48.4 10.6 -12.6 17.9 20 30 A M H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.877 109.5 58.0 -65.1 -37.7 11.9 -9.5 19.8 21 31 A F H X S+ 0 0 4 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.927 106.4 46.6 -59.2 -49.1 8.3 -8.3 20.4 22 32 A S H X S+ 0 0 18 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.907 111.7 52.5 -62.0 -41.7 7.3 -11.5 22.3 23 33 A E H X S+ 0 0 37 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.955 113.9 40.9 -59.2 -52.2 10.4 -11.4 24.4 24 34 A V H < S+ 0 0 2 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.901 116.0 49.0 -63.3 -44.6 9.9 -7.8 25.5 25 35 A V H >< S+ 0 0 13 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 0.868 108.9 55.1 -64.0 -36.2 6.2 -8.2 26.1 26 36 A K H 3< S+ 0 0 131 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.864 109.0 46.4 -65.6 -36.4 6.8 -11.4 28.0 27 37 A A T 3< S+ 0 0 48 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.427 115.4 47.7 -87.3 0.5 9.2 -9.7 30.4 28 38 A N S X S- 0 0 42 -3,-0.9 3,-1.1 -4,-0.4 -1,-0.2 -0.352 74.3-177.3-137.9 58.0 6.9 -6.6 31.0 29 39 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.295 71.8 6.1 -60.4 135.0 3.3 -7.9 31.7 30 40 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 -5,-0.1 -5,-0.0 0.815 106.9 111.3 63.7 33.8 0.7 -5.2 32.1 31 41 A Q S < S- 0 0 98 -3,-1.1 -1,-0.2 -6,-0.1 341,-0.1 -0.973 74.7-103.2-138.1 151.5 3.1 -2.3 31.2 32 42 A N + 0 0 50 -2,-0.3 2,-0.3 343,-0.1 341,-0.2 -0.437 47.8 177.3 -66.9 145.8 3.4 0.1 28.3 33 43 A V E -A 372 0A 2 339,-2.2 339,-1.7 -2,-0.1 2,-0.4 -0.977 19.4-177.0-155.4 140.7 6.3 -1.0 26.0 34 44 A V E +A 371 0A 0 -2,-0.3 2,-0.3 337,-0.2 337,-0.2 -0.993 15.6 167.6-137.3 139.6 7.8 0.2 22.8 35 45 A L E -A 370 0A 0 335,-2.9 335,-2.5 -2,-0.4 2,-0.4 -0.961 23.1-148.3-148.2 165.4 10.7 -1.6 21.0 36 46 A S + 0 0 0 -2,-0.3 4,-0.2 333,-0.2 333,-0.1 -0.923 16.2 173.0-144.7 115.3 12.5 -1.6 17.7 37 47 A A S > S+ 0 0 2 -2,-0.4 4,-1.3 330,-0.2 3,-0.5 0.735 84.0 64.2 -86.1 -27.9 14.1 -4.7 16.1 38 48 A F T 4 S+ 0 0 24 329,-0.4 3,-0.3 330,-0.3 -1,-0.1 0.897 99.2 50.2 -62.1 -45.3 14.9 -2.7 12.9 39 49 A S T 4 S+ 0 0 6 329,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.654 110.5 53.2 -69.0 -16.9 17.3 -0.2 14.7 40 50 A V T > S+ 0 0 2 -3,-0.5 4,-1.6 -4,-0.2 -1,-0.2 0.734 90.1 75.5 -89.4 -29.4 19.1 -3.2 16.1 41 51 A L H X S+ 0 0 5 -4,-1.3 4,-2.0 -3,-0.3 5,-0.2 0.899 89.8 55.2 -53.7 -48.5 19.8 -5.1 12.9 42 52 A P H > S+ 0 0 21 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.938 109.6 44.3 -54.3 -52.0 22.6 -2.9 11.6 43 53 A P H > S+ 0 0 1 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.836 113.8 52.3 -62.6 -30.2 24.9 -3.2 14.7 44 54 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -3,-0.1 0.806 109.5 49.2 -73.5 -29.6 24.1 -6.9 14.7 45 55 A G H X S+ 0 0 0 -4,-2.0 4,-1.2 -3,-0.4 -1,-0.2 0.865 110.7 49.1 -75.2 -37.2 25.2 -7.1 11.1 46 56 A Q H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.859 111.6 50.7 -68.8 -33.6 28.4 -5.2 11.9 47 57 A L H X S+ 0 0 1 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.817 105.3 55.6 -72.9 -31.9 29.0 -7.6 14.7 48 58 A A H < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 105.5 52.9 -69.8 -28.9 28.4 -10.6 12.4 49 59 A L H < S+ 0 0 20 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.776 109.6 48.7 -76.1 -26.2 31.2 -9.3 10.2 50 60 A A H < S+ 0 0 0 -4,-0.9 254,-2.0 -5,-0.1 255,-0.5 0.582 102.3 79.7 -89.0 -12.1 33.6 -9.0 13.1 51 61 A S < - 0 0 4 -4,-0.8 2,-0.3 251,-0.2 251,-0.2 -0.443 57.4-163.3 -94.4 168.3 32.9 -12.6 14.4 52 62 A V >> + 0 0 35 249,-0.6 4,-0.6 248,-0.5 3,-0.5 -0.954 51.5 2.0-144.6 159.3 34.2 -16.0 13.3 53 63 A G H >> S- 0 0 34 -2,-0.3 4,-1.6 1,-0.2 3,-0.7 -0.219 121.3 -8.0 64.0-150.5 33.1 -19.6 13.9 54 64 A E H 3> S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.871 132.1 54.7 -46.5 -55.3 30.0 -20.4 15.9 55 65 A S H <> S+ 0 0 1 -3,-0.5 4,-2.3 244,-0.5 -1,-0.2 0.869 109.0 51.4 -50.4 -40.2 29.2 -16.9 17.2 56 66 A H H S+ 0 0 10 -4,-2.3 5,-2.1 2,-0.2 4,-0.8 0.917 111.3 52.7 -61.1 -44.7 23.6 -14.7 10.9 61 71 A R H ><5S+ 0 0 201 -4,-3.2 3,-1.2 1,-0.2 -2,-0.2 0.942 111.4 45.4 -56.2 -50.7 21.1 -17.4 11.7 62 72 A A H 3<5S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.805 112.0 52.5 -64.7 -29.5 19.1 -15.1 13.9 63 73 A L H 3<5S- 0 0 3 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.570 106.9-130.3 -81.8 -8.5 19.4 -12.4 11.3 64 74 A A T <<5 + 0 0 52 -3,-1.2 -3,-0.2 -4,-0.8 -2,-0.1 0.922 61.7 138.5 58.2 44.5 18.0 -14.8 8.7 65 75 A L < - 0 0 18 -5,-2.1 -1,-0.2 1,-0.1 -2,-0.1 -0.926 53.2-142.6-121.8 147.4 20.9 -13.9 6.4 66 76 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.947 68.4 -25.3 -72.9 -53.3 23.0 -16.2 4.2 67 77 A N > - 0 0 72 -7,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.906 63.7 -88.1-153.6-179.7 26.5 -14.7 4.4 68 78 A D H > S+ 0 0 55 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.859 119.2 58.1 -63.9 -39.0 28.8 -11.7 5.1 69 79 A N H > S+ 0 0 105 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 112.3 38.6 -59.5 -45.5 28.6 -10.7 1.4 70 80 A V H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.849 113.2 57.9 -73.5 -35.1 24.9 -10.4 1.4 71 81 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.944 108.8 44.5 -60.5 -50.4 24.9 -8.9 4.9 72 82 A K H X S+ 0 0 79 -4,-2.8 4,-1.9 1,-0.2 5,-0.3 0.856 112.9 52.0 -59.0 -47.7 27.1 -6.0 3.8 73 83 A D H X S+ 0 0 76 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.930 107.6 52.1 -61.1 -42.8 25.1 -5.4 0.7 74 84 A V H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.953 117.0 36.0 -54.9 -52.5 21.8 -5.2 2.5 75 85 A F H X S+ 0 0 8 -4,-1.9 4,-3.2 1,-0.3 5,-0.2 0.846 113.6 57.5 -80.9 -28.9 22.9 -2.6 5.0 76 86 A A H X S+ 0 0 37 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.3 0.944 108.4 48.2 -57.4 -49.1 25.0 -0.7 2.6 77 87 A D H X S+ 0 0 25 -4,-2.0 4,-0.9 -5,-0.3 3,-0.3 0.995 110.1 51.7 -61.9 -46.2 21.9 -0.3 0.4 78 88 A L H >< S+ 0 0 25 -4,-2.4 3,-2.6 1,-0.2 -2,-0.2 0.953 111.2 46.5 -46.3 -54.2 20.0 0.8 3.4 79 89 A N H >< S+ 0 0 64 -4,-3.2 3,-0.6 36,-0.4 -1,-0.2 0.797 101.6 66.0 -73.7 -18.7 22.6 3.4 4.2 80 90 A R H 3< S+ 0 0 194 -4,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.612 115.2 31.7 -67.3 -18.6 22.6 4.4 0.5 81 91 A G T << S+ 0 0 56 -3,-2.6 -1,-0.3 -4,-0.9 2,-0.1 -0.717 88.8 110.8-133.3 75.0 19.1 5.6 1.3 82 92 A V < + 0 0 92 -3,-0.6 -1,-0.0 -2,-0.2 -4,-0.0 -0.609 29.3 118.6-141.5 98.6 18.9 6.8 4.9 83 93 A R S S- 0 0 249 -2,-0.1 -2,-0.0 -3,-0.0 -4,-0.0 0.621 81.4 -49.4-118.3 -79.2 18.5 10.6 5.5 84 94 A A - 0 0 67 7,-0.0 6,-0.5 5,-0.0 0, 0.0 0.643 59.7-126.4-131.7 -59.6 15.3 11.8 7.4 85 95 A V > - 0 0 19 4,-0.1 3,-0.9 2,-0.0 5,-0.2 0.487 33.4 -91.0 97.3 119.4 11.9 10.4 6.2 86 96 A K T 3 S+ 0 0 113 1,-0.2 143,-0.3 140,-0.1 142,-0.3 -0.246 99.5 5.5 -64.5 141.3 9.0 12.7 5.3 87 97 A G T 3 S+ 0 0 22 139,-0.1 86,-2.6 1,-0.1 138,-0.4 0.231 117.0 76.0 73.9 -8.9 6.4 13.9 7.8 88 98 A V E < -I 172 0B 17 -3,-0.9 2,-0.8 84,-0.3 84,-0.2 -0.954 69.2-137.6-136.3 153.6 8.2 12.3 10.8 89 99 A D E +I 171 0B 57 82,-3.3 82,-1.4 -2,-0.3 2,-0.5 -0.901 36.0 168.0-107.8 97.3 11.1 12.8 13.1 90 100 A L E -I 170 0B 29 -2,-0.8 2,-0.5 -6,-0.5 80,-0.2 -0.953 8.8-178.0-118.0 111.4 12.6 9.3 13.4 91 101 A K E +I 169 0B 62 78,-2.5 78,-3.1 -2,-0.5 2,-0.4 -0.942 4.7 176.0-114.1 132.1 16.1 9.1 15.0 92 102 A M E -I 168 0B 64 -2,-0.5 2,-0.4 76,-0.2 76,-0.2 -0.978 6.5-176.7-135.3 119.4 17.9 5.8 15.4 93 103 A A E +I 167 0B 10 74,-3.2 74,-2.8 -2,-0.4 2,-0.3 -0.951 4.6 178.5-123.4 140.6 21.4 5.7 16.8 94 104 A S E +I 166 0B 15 -2,-0.4 25,-1.0 23,-0.3 2,-0.3 -0.987 7.9 161.2-137.4 144.8 23.8 2.8 17.3 95 105 A K E -Ij 165 119B 10 70,-1.6 70,-2.2 -2,-0.3 2,-0.5 -0.956 27.3-142.5-165.7 145.1 27.4 2.6 18.6 96 106 A I E -Ij 164 120B 4 23,-2.7 25,-2.2 -2,-0.3 2,-0.5 -0.955 16.1-164.7-114.4 123.8 29.9 0.2 20.0 97 107 A Y E -Ij 163 121B 1 66,-2.6 66,-2.5 -2,-0.5 2,-0.3 -0.928 8.5-174.3-110.4 131.6 32.2 1.4 22.8 98 108 A V E -Ij 162 122B 0 23,-2.4 25,-1.8 -2,-0.5 64,-0.2 -0.922 36.8 -77.9-125.3 150.7 35.3 -0.7 23.7 99 109 A A E > - j 0 123B 22 62,-2.7 3,-1.2 -2,-0.3 25,-0.2 -0.001 41.4-116.6 -45.0 145.3 37.9 -0.3 26.4 100 110 A K T 3 S+ 0 0 139 23,-1.0 24,-0.1 1,-0.3 -1,-0.1 0.829 109.0 56.0 -54.9 -40.3 40.6 2.3 26.0 101 111 A G T 3 S+ 0 0 73 22,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.023 84.4 97.7 -88.1 30.7 43.5 -0.1 25.9 102 112 A L S < S- 0 0 16 -3,-1.2 2,-0.5 -4,-0.1 -4,-0.1 -0.956 73.6-129.7-121.7 113.1 42.3 -2.2 23.0 103 113 A E - 0 0 119 -2,-0.5 204,-2.9 1,-0.1 205,-0.5 -0.446 23.4-137.5 -66.6 114.3 43.6 -1.3 19.5 104 114 A L B -M 306 0C 28 -2,-0.5 2,-0.9 202,-0.3 202,-0.2 -0.429 18.5-113.0 -73.7 142.4 40.8 -0.9 17.1 105 115 A N > - 0 0 28 200,-2.5 4,-1.6 1,-0.2 5,-0.2 -0.681 25.0-149.4 -77.2 108.2 41.1 -2.4 13.6 106 116 A D H > S+ 0 0 95 -2,-0.9 4,-1.1 1,-0.2 -1,-0.2 0.804 92.4 49.9 -47.8 -40.6 41.2 0.7 11.4 107 117 A D H >> S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.957 107.8 50.5 -66.9 -53.1 39.6 -1.1 8.5 108 118 A F H 3> S+ 0 0 15 196,-0.3 4,-1.5 1,-0.3 -1,-0.2 0.775 108.0 56.6 -56.9 -27.2 36.6 -2.5 10.4 109 119 A A H 3X S+ 0 0 28 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.846 107.1 48.0 -73.8 -34.5 36.1 1.0 11.8 110 120 A A H S+ 0 0 35 -4,-2.3 4,-1.8 1,-0.2 5,-1.1 0.842 108.4 61.8 -53.9 -35.0 33.3 -0.2 7.0 112 122 A S H <>S+ 0 0 0 -4,-1.5 6,-1.6 -5,-0.3 5,-0.6 0.960 106.5 41.4 -57.1 -56.1 31.4 0.3 10.3 113 123 A R H <5S+ 0 0 146 -4,-1.7 -2,-0.2 4,-0.3 -1,-0.2 0.888 125.4 30.9 -63.2 -44.6 30.6 3.9 9.7 114 124 A D H <5S+ 0 0 84 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.921 125.5 37.4 -84.6 -46.9 29.7 3.8 6.0 115 125 A V T <5S+ 0 0 25 -4,-1.8 -36,-0.4 -5,-0.3 -3,-0.2 0.996 137.3 15.3 -68.2 -64.2 28.2 0.3 5.5 116 126 A F T + 0 0 41 -2,-0.3 3,-1.1 -25,-0.2 7,-0.3 -0.718 30.8 178.8 -88.4 100.2 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