==== 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 LUMINESCENT PROTEIN 05-MAR-04 1SL7 . COMPND 2 MOLECULE: OBELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OBELIA LONGISSIMA; . AUTHOR L.DENG,S.V.MARKOVA,E.S.VYSOTSKI,Z.J.LIU,J.LEE,J.ROSE, . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 65.3 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 . 4 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 . 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 48.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.9 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 1 0 1 0 1 1 0 1 0 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 136 0, 0.0 82,-0.0 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 -58.1 37.1 -13.0 29.2 2 12 A D > + 0 0 93 2,-0.1 3,-1.0 3,-0.1 0, 0.0 0.100 360.0 90.4-109.0 11.8 35.5 -13.4 25.9 3 13 A F T 3 S+ 0 0 34 1,-0.2 80,-0.1 80,-0.1 83,-0.0 0.617 78.7 61.4 -80.5 -11.9 37.9 -10.7 24.6 4 14 A D T 3 S+ 0 0 113 79,-0.1 -1,-0.2 4,-0.0 -2,-0.1 0.329 73.1 129.8 -93.8 3.2 40.2 -13.5 23.7 5 15 A N X - 0 0 41 -3,-1.0 3,-1.5 1,-0.1 4,-0.3 -0.434 61.8-135.5 -55.1 125.7 37.7 -15.0 21.3 6 16 A P T >> S+ 0 0 94 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.757 98.6 71.2 -60.6 -30.4 39.5 -15.6 17.9 7 17 A R H 3> S+ 0 0 122 1,-0.2 4,-0.9 2,-0.2 3,-0.1 0.767 88.8 65.7 -53.8 -29.4 36.6 -14.0 15.8 8 18 A W H <> S+ 0 0 6 -3,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.770 88.8 69.2 -62.2 -28.7 37.7 -10.6 17.3 9 19 A I H <> S+ 0 0 67 -3,-1.5 4,-2.0 -4,-0.3 -1,-0.2 0.942 97.2 44.4 -63.5 -55.4 41.1 -10.7 15.5 10 20 A K H X S+ 0 0 147 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.912 113.2 52.8 -56.6 -46.2 40.1 -10.4 11.8 11 21 A R H X S+ 0 0 98 -4,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.871 110.8 47.4 -54.6 -45.9 37.6 -7.5 12.6 12 22 A H H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.823 107.6 55.5 -69.5 -34.9 40.3 -5.6 14.5 13 23 A K H X S+ 0 0 105 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 108.2 48.1 -63.4 -44.3 42.9 -6.0 11.6 14 24 A H H X S+ 0 0 125 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.896 112.9 47.6 -64.3 -41.6 40.6 -4.5 9.0 15 25 A M H X S+ 0 0 41 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.922 111.1 51.9 -65.8 -46.1 39.8 -1.5 11.3 16 26 A F H X S+ 0 0 8 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.893 109.5 48.6 -51.4 -50.3 43.5 -0.9 12.1 17 27 A D H < S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.5 52.1 -66.7 -31.2 44.4 -0.9 8.4 18 28 A F H < S+ 0 0 85 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.873 110.7 46.6 -69.7 -40.1 41.6 1.6 7.7 19 29 A L H < S+ 0 0 10 -4,-2.1 2,-1.8 1,-0.1 -2,-0.2 0.743 90.5 91.5 -71.4 -23.9 42.8 4.0 10.5 20 30 A D >< - 0 0 13 -4,-1.5 3,-1.4 1,-0.2 5,-0.1 -0.504 58.3-178.9 -74.7 80.5 46.4 3.7 9.2 21 31 A I T 3 S+ 0 0 97 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.879 75.6 41.0 -51.4 -53.8 46.3 6.7 6.8 22 32 A N T 3 S- 0 0 101 4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.397 101.9-128.6 -82.5 3.6 49.9 6.5 5.4 23 33 A G < + 0 0 58 -3,-1.4 -2,-0.1 -6,-0.2 -1,-0.1 0.586 65.2 132.9 64.8 14.8 49.9 2.7 5.1 24 34 A N S S- 0 0 72 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.389 77.3-109.1 -79.0 6.3 53.2 2.1 7.0 25 35 A G S S+ 0 0 38 1,-0.2 50,-0.5 -5,-0.1 2,-0.3 0.605 90.5 86.6 76.8 9.2 51.8 -0.7 9.2 26 36 A K - 0 0 91 48,-0.2 2,-0.3 -9,-0.1 -2,-0.3 -0.993 62.4-144.2-136.7 147.7 51.8 1.4 12.4 27 37 A I B -A 73 0A 1 46,-2.7 46,-2.0 -2,-0.3 2,-0.3 -0.848 9.1-168.3-114.7 151.0 49.2 3.8 14.0 28 38 A T > - 0 0 13 -2,-0.3 4,-1.9 44,-0.2 3,-0.3 -0.842 39.8-110.6-121.9 161.8 49.4 7.0 16.0 29 39 A L H > S+ 0 0 0 39,-1.4 4,-2.2 -2,-0.3 5,-0.2 0.809 117.9 64.0 -60.5 -29.9 46.8 9.0 18.0 30 40 A D H > S+ 0 0 79 38,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.919 105.2 42.7 -54.6 -51.8 47.3 11.7 15.2 31 41 A E H > S+ 0 0 20 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.878 113.6 52.8 -63.6 -42.9 45.9 9.3 12.5 32 42 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.911 108.4 47.7 -62.0 -47.9 43.0 8.0 14.8 33 43 A V H X>S+ 0 0 6 -4,-2.2 5,-2.3 2,-0.2 4,-1.6 0.905 110.6 53.0 -63.6 -41.6 41.6 11.4 15.7 34 44 A S H <>S+ 0 0 39 -4,-1.5 5,-1.6 -5,-0.2 -1,-0.2 0.950 119.1 33.2 -56.7 -51.7 41.6 12.5 12.1 35 45 A K H <5S+ 0 0 61 -4,-1.8 -2,-0.2 -16,-0.2 5,-0.2 0.830 127.6 36.1 -74.5 -38.1 39.6 9.4 10.9 36 46 A A H <5S+ 0 0 24 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.480 134.4 12.4 -98.6 -6.1 37.4 8.8 13.9 37 47 A S T X5S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 5,-0.2 0.580 118.6 51.9-135.1 -54.7 36.6 12.4 15.1 38 48 A D H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 112.3 50.8 -61.8 -45.6 32.4 12.9 11.4 41 51 A C H <>S+ 0 0 3 -4,-2.1 5,-2.2 1,-0.2 -1,-0.2 0.855 113.2 45.8 -64.8 -33.4 32.1 16.2 13.2 42 52 A A H ><5S+ 0 0 74 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 0.925 110.9 53.2 -71.6 -46.8 32.7 18.2 10.0 43 53 A K H 3<5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.859 112.2 44.1 -52.6 -43.8 30.2 16.1 8.0 44 54 A L T 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.275 109.2-123.4 -89.9 9.0 27.4 16.6 10.6 45 55 A E T < 5 - 0 0 162 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.844 44.1-179.8 51.5 42.4 28.1 20.4 10.8 46 56 A A < - 0 0 20 -5,-2.2 -1,-0.1 -6,-0.2 65,-0.0 -0.220 28.6-106.8 -63.3 160.7 28.7 20.2 14.6 47 57 A T > - 0 0 55 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.430 31.8-104.1 -83.1 164.3 29.6 23.4 16.6 48 58 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.910 122.4 49.2 -55.3 -43.7 33.1 24.1 17.9 49 59 A E H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.904 112.7 46.9 -64.6 -43.0 32.0 23.3 21.5 50 60 A Q H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 112.8 50.4 -59.5 -44.6 30.3 20.0 20.4 51 61 A T H X S+ 0 0 36 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.868 109.3 51.0 -61.0 -42.7 33.4 19.1 18.3 52 62 A K H X S+ 0 0 146 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.851 108.9 50.4 -66.3 -40.7 35.8 19.7 21.2 53 63 A R H X S+ 0 0 116 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.919 111.1 49.0 -61.4 -48.2 33.7 17.5 23.6 54 64 A H H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.917 109.9 51.6 -56.2 -46.1 33.7 14.6 21.0 55 65 A Q H X S+ 0 0 62 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.893 106.5 54.3 -62.5 -39.3 37.5 14.9 20.6 56 66 A V H X S+ 0 0 84 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.906 109.2 47.9 -60.6 -42.9 38.1 14.7 24.4 57 67 A C H X S+ 0 0 19 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.882 111.8 49.2 -67.2 -39.2 36.1 11.4 24.6 58 68 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.921 110.7 50.0 -67.0 -43.8 38.0 9.9 21.6 59 69 A E H X S+ 0 0 31 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.887 110.2 52.2 -59.2 -40.7 41.4 10.8 23.1 60 70 A A H X S+ 0 0 39 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.927 109.5 47.7 -64.5 -47.7 40.4 9.3 26.5 61 71 A F H X S+ 0 0 9 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.913 115.8 42.2 -59.0 -49.5 39.4 5.9 25.0 62 72 A F H <>S+ 0 0 1 -4,-2.0 5,-2.4 2,-0.2 3,-0.4 0.804 108.9 57.2 -76.1 -29.4 42.5 5.4 22.8 63 73 A R H ><5S+ 0 0 105 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.863 103.0 57.3 -62.2 -36.3 44.9 6.6 25.5 64 74 A G H 3<5S+ 0 0 37 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.763 103.2 53.2 -63.9 -24.7 43.4 3.8 27.6 65 75 A C T 3<5S- 0 0 4 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.460 131.3 -95.9 -83.1 -6.3 44.5 1.4 24.9 66 76 A G T < 5S+ 0 0 37 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.445 78.2 138.9 104.9 3.8 48.1 2.7 25.1 67 77 A M < + 0 0 6 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.3 -0.388 21.8 172.0 -81.4 156.3 48.0 5.3 22.3 68 78 A E > - 0 0 76 3,-0.4 3,-1.6 -2,-0.1 -39,-1.4 -0.972 42.3 -83.6-156.0 154.9 49.6 8.9 22.3 69 79 A Y T 3 S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.2 -41,-0.0 -0.379 115.1 12.2 -59.1 137.4 50.3 11.7 19.9 70 80 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 -2,-0.0 -1,-0.2 0.594 99.5 120.4 70.5 13.7 53.5 11.2 17.9 71 81 A K < - 0 0 100 -3,-1.6 2,-0.5 2,-0.0 -3,-0.4 -0.941 52.3-148.1-116.2 117.7 53.9 7.5 19.0 72 82 A E + 0 0 99 -2,-0.5 2,-0.4 -44,-0.1 -44,-0.2 -0.719 19.3 178.4 -89.7 124.6 53.9 4.6 16.4 73 83 A I B -A 27 0A 24 -46,-2.0 -46,-2.7 -2,-0.5 2,-0.1 -0.989 17.6-139.7-129.1 132.3 52.4 1.3 17.5 74 84 A A > - 0 0 26 -2,-0.4 4,-1.9 -48,-0.2 3,-0.3 -0.344 34.9 -93.7 -84.1 168.7 52.0 -2.0 15.4 75 85 A F H > S+ 0 0 31 -50,-0.5 4,-2.8 1,-0.2 5,-0.2 0.852 117.9 52.9 -52.9 -51.6 49.0 -4.4 15.4 76 86 A P H > S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.909 114.1 43.5 -55.4 -45.8 50.1 -7.0 18.1 77 87 A Q H > S+ 0 0 118 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.830 113.1 52.9 -66.7 -35.5 50.8 -4.2 20.7 78 88 A F H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.959 108.3 49.7 -63.3 -51.1 47.5 -2.4 19.8 79 89 A L H X S+ 0 0 20 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.880 109.3 51.4 -56.3 -42.4 45.4 -5.6 20.3 80 90 A D H X S+ 0 0 96 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.896 108.8 51.7 -62.9 -43.6 47.0 -6.3 23.7 81 91 A G H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.908 108.9 50.1 -56.6 -48.7 46.2 -2.7 24.9 82 92 A W H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.896 109.3 51.7 -56.6 -46.5 42.5 -3.0 23.8 83 93 A K H X S+ 0 0 52 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.895 110.5 48.7 -53.5 -49.4 42.1 -6.4 25.7 84 94 A Q H X S+ 0 0 155 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 114.5 45.5 -57.0 -49.6 43.6 -4.8 28.9 85 95 A L H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.888 109.4 53.9 -64.4 -41.9 41.2 -1.8 28.6 86 96 A A H X S+ 0 0 14 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.848 109.2 49.9 -63.7 -36.4 38.1 -3.9 27.8 87 97 A T H X S+ 0 0 48 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.940 112.1 45.2 -65.0 -52.0 38.7 -6.0 31.0 88 98 A S H X S+ 0 0 56 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.816 112.0 53.2 -67.1 -29.9 39.1 -3.0 33.3 89 99 A E H X S+ 0 0 25 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.810 102.8 58.1 -73.1 -33.2 36.0 -1.2 31.8 90 100 A L H X S+ 0 0 77 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.888 106.6 49.2 -57.1 -42.0 33.9 -4.4 32.4 91 101 A K H X S+ 0 0 121 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.879 107.9 52.9 -66.9 -41.6 34.7 -4.1 36.1 92 102 A K H ><>S+ 0 0 51 -4,-1.5 5,-1.8 2,-0.2 3,-0.5 0.936 106.5 53.7 -57.1 -47.2 33.8 -0.3 36.2 93 103 A W H ><5S+ 0 0 181 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.887 107.7 51.4 -52.5 -44.5 30.4 -1.2 34.6 94 104 A A H 3<5S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 104.4 57.0 -63.2 -33.0 29.8 -3.8 37.5 95 105 A R T <<5S- 0 0 149 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.203 116.7-110.1 -85.9 14.9 30.6 -1.1 40.2 96 106 A N T < 5S+ 0 0 162 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.876 73.0 139.3 55.6 38.7 27.9 1.2 38.9 97 107 A E < - 0 0 85 -5,-1.8 2,-0.2 1,-0.0 -1,-0.2 -0.776 61.4 -99.1-101.3 156.8 30.4 3.8 37.6 98 108 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 -0.569 42.4-144.1 -70.0 136.8 30.2 5.7 34.3 99 109 A T > - 0 0 23 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.647 21.9-111.9-101.0 161.9 32.3 4.1 31.5 100 110 A L H > S+ 0 0 27 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.826 118.3 52.8 -58.2 -36.9 34.4 5.6 28.7 101 111 A I H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.891 107.8 50.3 -66.8 -41.8 31.9 4.2 26.1 102 112 A R H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.924 111.6 48.3 -61.6 -44.6 28.9 5.8 27.8 103 113 A E H X S+ 0 0 86 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.906 113.2 46.4 -63.6 -44.0 30.6 9.2 27.9 104 114 A W H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.922 109.3 58.3 -61.3 -43.8 31.6 9.0 24.2 105 115 A G H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.849 103.3 50.5 -51.3 -43.5 27.9 7.8 23.6 106 116 A D H X S+ 0 0 51 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.864 108.4 52.6 -64.6 -40.2 26.5 11.1 25.1 107 117 A A H X S+ 0 0 2 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.912 111.2 45.9 -64.3 -44.5 28.7 13.3 22.9 108 118 A V H >X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 3,-0.5 0.917 109.7 55.6 -59.0 -48.9 27.6 11.6 19.7 109 119 A F H 3X S+ 0 0 29 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.900 102.7 55.3 -53.9 -46.2 23.9 11.7 20.7 110 120 A D H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 108.0 49.5 -57.3 -37.0 24.0 15.5 21.2 111 121 A I H << S+ 0 0 7 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.912 111.4 46.2 -71.3 -44.8 25.3 16.0 17.6 112 122 A F H < S+ 0 0 8 -4,-1.7 2,-1.6 1,-0.2 -2,-0.2 0.730 95.2 80.2 -68.1 -27.1 22.7 13.9 15.9 113 123 A D < + 0 0 22 -4,-1.6 -1,-0.2 -5,-0.2 5,-0.1 -0.566 57.3 169.0 -86.8 74.3 19.7 15.4 17.9 114 124 A K + 0 0 125 -2,-1.6 -1,-0.2 2,-0.1 -2,-0.1 0.861 65.0 44.3 -61.7 -45.9 19.4 18.6 15.8 115 125 A D S S- 0 0 94 1,-0.0 3,-0.2 0, 0.0 0, 0.0 0.025 105.8-101.5 -74.5-160.2 16.1 19.8 17.2 116 126 A G S S+ 0 0 79 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 0.155 81.9 119.2-110.8 25.8 15.9 19.6 21.0 117 127 A S - 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