==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 19-JUN-01 1JF0 . COMPND 2 MOLECULE: OBELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OBELIA LONGISSIMA; . AUTHOR L.DENG,E.VYSOTSKI,Z.-J.LIU,S.MARKOVA,J.LEE,J.ROSE,B.-C.WANG . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 69.8 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 . 5 2.6 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 . 1 0.5 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 5.2 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 0 1 0 0 0 1 1 1 2 0 1 0 0 1 0 1 0 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 . 1 1 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 . 1 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 4 A K 0 0 217 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.1 29.1 -29.1 50.4 2 5 A Y - 0 0 65 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.789 360.0-103.0-121.6 163.9 27.4 -28.8 53.8 3 6 A A - 0 0 90 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.397 44.1-100.8 -79.1 161.2 24.0 -27.6 55.1 4 7 A V - 0 0 27 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.618 30.1-122.0 -86.2 143.7 23.6 -24.2 56.8 5 8 A K - 0 0 47 -2,-0.3 175,-0.1 1,-0.1 173,-0.1 -0.702 16.8-164.8 -84.2 130.8 23.6 -24.0 60.5 6 9 A L + 0 0 63 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.556 52.3 115.9 -92.4 -8.1 20.4 -22.3 61.8 7 10 A Q - 0 0 77 1,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.410 56.1-147.2 -64.0 129.4 21.8 -21.7 65.3 8 11 A T - 0 0 58 -2,-0.2 170,-0.2 172,-0.0 -1,-0.1 -0.430 18.3-168.8 -93.5 171.5 22.1 -18.0 66.1 9 12 A D > + 0 0 66 168,-0.5 3,-1.0 -2,-0.1 6,-0.3 -0.328 18.3 161.4-159.7 62.5 24.6 -16.1 68.2 10 13 A F T 3 S+ 0 0 27 1,-0.2 80,-0.1 5,-0.1 79,-0.0 0.543 74.6 55.2 -65.1 -12.0 23.4 -12.5 68.7 11 14 A D T 3 S+ 0 0 132 4,-0.1 -1,-0.2 -3,-0.0 5,-0.0 0.674 77.0 112.4 -96.0 -21.2 25.6 -11.9 71.7 12 15 A N X> - 0 0 50 -3,-1.0 4,-2.1 1,-0.2 3,-1.1 -0.316 67.2-139.6 -57.3 121.9 28.9 -12.8 70.0 13 16 A P H 3> S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.810 102.9 60.8 -53.4 -27.9 31.0 -9.6 69.6 14 17 A K H 3> S+ 0 0 85 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.880 105.4 44.9 -68.0 -38.2 31.9 -10.9 66.1 15 18 A W H <> S+ 0 0 0 -3,-1.1 4,-1.6 -6,-0.3 -1,-0.2 0.892 115.4 47.2 -72.7 -39.7 28.3 -10.9 64.9 16 19 A I H X S+ 0 0 44 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.894 110.2 52.9 -69.1 -37.9 27.7 -7.4 66.4 17 20 A K H X S+ 0 0 133 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.845 104.7 56.6 -65.9 -33.6 30.9 -6.0 65.0 18 21 A R H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.948 111.6 40.9 -63.5 -47.8 29.9 -7.2 61.5 19 22 A H H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.764 112.5 55.9 -73.1 -23.6 26.6 -5.3 61.6 20 23 A K H X S+ 0 0 67 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.921 106.6 50.5 -71.2 -42.9 28.4 -2.3 63.2 21 24 A F H X S+ 0 0 85 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.911 114.6 43.9 -58.3 -44.2 30.8 -2.3 60.3 22 25 A M H X S+ 0 0 20 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.876 110.1 54.7 -70.5 -38.6 27.9 -2.3 57.8 23 26 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.952 110.7 46.2 -59.8 -47.3 25.9 0.2 59.8 24 27 A D H < S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 110.0 54.3 -62.2 -36.9 28.9 2.6 59.6 25 28 A Y H < S+ 0 0 53 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.858 112.4 43.7 -64.3 -35.3 29.2 1.8 55.9 26 29 A L H < S+ 0 0 24 -4,-2.3 2,-1.9 1,-0.2 -2,-0.2 0.787 98.5 77.1 -79.2 -28.4 25.6 2.7 55.4 27 30 A D >< + 0 0 9 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 -0.555 61.2 171.0 -84.1 73.5 26.0 5.8 57.6 28 31 A I T 3 S+ 0 0 143 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.925 75.8 42.0 -47.4 -61.0 27.7 7.9 54.9 29 32 A N T 3 S- 0 0 96 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.543 105.2-128.5 -68.8 -7.9 27.7 11.2 56.8 30 33 A G < + 0 0 57 -3,-1.0 -2,-0.1 -6,-0.2 -1,-0.1 0.913 62.7 140.4 59.5 43.0 28.6 9.5 60.0 31 34 A N S S- 0 0 66 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.338 71.1-112.5 -96.9 4.5 25.7 11.1 61.9 32 35 A G S S+ 0 0 35 -5,-0.2 50,-0.4 1,-0.1 2,-0.3 0.641 86.9 72.7 76.3 16.2 25.0 7.9 63.8 33 36 A Q - 0 0 28 48,-0.2 -2,-0.3 -10,-0.1 2,-0.3 -0.987 54.8-162.8-159.5 150.1 21.6 7.1 62.1 34 37 A I B -A 80 0A 0 46,-1.8 46,-2.6 -2,-0.3 2,-0.3 -0.881 9.3-147.5-131.5 162.7 20.2 5.9 58.8 35 38 A T >> - 0 0 22 -2,-0.3 4,-2.0 44,-0.2 3,-0.8 -0.936 28.9-118.3-131.3 155.5 16.7 6.1 57.3 36 39 A L H 3> S+ 0 0 0 39,-1.2 4,-2.9 42,-0.4 5,-0.3 0.853 115.9 63.8 -59.6 -30.5 14.8 3.8 54.9 37 40 A D H 3> S+ 0 0 75 38,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.890 103.6 44.6 -59.9 -40.0 14.9 6.8 52.6 38 41 A E H <> S+ 0 0 77 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.914 113.6 50.0 -71.9 -41.5 18.7 6.7 52.3 39 42 A I H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.913 113.6 45.0 -62.9 -43.7 18.7 2.9 51.9 40 43 A V H X S+ 0 0 12 -4,-2.9 4,-3.4 2,-0.2 5,-0.4 0.873 112.3 51.3 -69.2 -36.6 16.1 3.0 49.1 41 44 A S H X>S+ 0 0 54 -4,-1.9 4,-1.5 -5,-0.3 5,-0.8 0.919 110.2 49.8 -66.3 -41.2 17.8 5.9 47.4 42 45 A K H <>S+ 0 0 47 -4,-2.5 5,-2.7 3,-0.2 4,-0.5 0.921 115.9 44.4 -61.0 -42.8 21.1 4.0 47.5 43 46 A A H <>S+ 0 0 4 -4,-2.1 5,-2.4 3,-0.2 -2,-0.2 0.951 128.7 21.3 -67.3 -51.3 19.3 1.0 46.0 44 47 A S H <>S+ 0 0 8 -4,-3.4 5,-0.6 3,-0.2 -3,-0.2 0.910 128.3 38.1 -88.2 -47.0 17.3 2.7 43.3 45 48 A D T <5S+ 0 0 93 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.542 131.3 22.5 -86.4 -7.3 18.9 6.1 42.4 46 49 A D T >XS+ 0 0 0 -5,-2.4 5,-2.6 -6,-0.2 4,-0.7 0.887 116.5 52.4 -60.8 -37.4 20.1 0.4 39.9 49 52 A K H >4 - 0 0 64 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.316 31.7-102.0 -75.9 166.9 15.2 -1.3 33.7 55 58 A P H > S+ 0 0 119 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.905 124.0 49.1 -56.6 -41.4 12.4 0.6 35.4 56 59 A A H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 111.7 46.5 -64.1 -48.8 10.7 -2.7 36.3 57 60 A Q H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 111.8 52.2 -60.7 -42.5 13.9 -4.3 37.7 58 61 A T H X S+ 0 0 25 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.902 110.9 48.0 -61.7 -40.3 14.6 -1.1 39.7 59 62 A Q H X S+ 0 0 94 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.933 112.3 46.9 -67.7 -45.8 11.1 -1.2 41.1 60 63 A R H X S+ 0 0 139 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.930 113.1 50.1 -60.4 -45.8 11.2 -4.9 42.1 61 64 A H H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.895 110.8 49.8 -59.8 -40.5 14.6 -4.4 43.7 62 65 A Q H X S+ 0 0 43 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.938 108.2 52.8 -65.1 -43.5 13.3 -1.4 45.6 63 66 A D H X S+ 0 0 82 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.882 112.7 45.1 -59.1 -38.0 10.3 -3.4 46.8 64 67 A C H X S+ 0 0 24 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.893 113.3 48.3 -73.8 -40.4 12.7 -6.1 48.1 65 68 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.933 111.7 51.2 -64.4 -43.4 15.1 -3.7 49.7 66 69 A E H X S+ 0 0 32 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.910 112.9 44.9 -59.0 -44.6 12.2 -1.9 51.4 67 70 A A H X S+ 0 0 40 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.895 113.1 52.1 -67.9 -39.8 10.8 -5.2 52.8 68 71 A F H >X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 3,-0.5 0.971 113.9 39.6 -62.4 -55.8 14.3 -6.4 53.9 69 72 A F H 3<>S+ 0 0 16 -4,-2.8 5,-2.2 1,-0.3 -1,-0.2 0.678 110.1 59.2 -72.2 -13.7 15.2 -3.3 55.9 70 73 A R H ><5S+ 0 0 103 -4,-1.1 3,-1.4 -5,-0.3 -1,-0.3 0.805 100.2 61.6 -76.8 -28.3 11.7 -3.0 57.2 71 74 A G H <<5S+ 0 0 26 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.877 105.7 43.3 -62.1 -39.1 12.5 -6.4 58.5 72 75 A C T 3<5S- 0 0 0 -4,-1.0 16,-0.4 19,-0.1 17,-0.3 0.136 131.9 -85.5 -96.2 22.2 15.4 -5.1 60.6 73 76 A G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.165 81.6 133.0 104.8 -20.3 13.5 -2.0 61.9 74 77 A L < + 0 0 2 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.143 23.9 169.5 -65.8 162.3 13.9 0.7 59.2 75 78 A E > - 0 0 70 3,-0.5 3,-1.4 5,-0.0 -39,-1.2 -0.951 41.0 -83.3-168.7 151.5 11.1 2.8 57.9 76 79 A Y T 3 S+ 0 0 72 -2,-0.3 3,-0.1 1,-0.3 -41,-0.0 -0.325 113.1 11.9 -61.4 139.7 10.5 5.9 55.8 77 80 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.0 -1,-0.3 0.707 105.5 112.2 65.9 21.3 10.9 9.2 57.7 78 81 A K < - 0 0 105 -3,-1.4 2,-0.5 2,-0.0 -3,-0.5 -0.987 61.1-138.0-132.3 128.8 12.4 7.5 60.7 79 82 A E - 0 0 107 -2,-0.4 2,-0.5 -44,-0.1 -44,-0.2 -0.701 19.0-164.0 -86.4 126.7 15.9 7.7 62.1 80 83 A T B -A 34 0A 1 -46,-2.6 -46,-1.8 -2,-0.5 2,-0.1 -0.942 0.9-160.5-116.6 119.0 17.4 4.4 63.2 81 84 A K > - 0 0 94 -2,-0.5 4,-2.5 -48,-0.2 3,-0.3 -0.454 38.1 -95.6 -89.5 167.1 20.5 4.3 65.4 82 85 A F H > S+ 0 0 34 -50,-0.4 4,-3.3 1,-0.2 5,-0.3 0.868 119.9 56.9 -50.6 -48.1 22.7 1.3 65.8 83 86 A P H > S+ 0 0 88 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.938 113.4 39.7 -51.4 -50.7 21.1 -0.1 69.0 84 87 A E H > S+ 0 0 87 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.922 114.9 55.4 -63.6 -43.4 17.6 -0.3 67.3 85 88 A F H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.907 108.1 46.8 -54.4 -48.5 19.3 -1.5 64.1 86 89 A L H X S+ 0 0 15 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.923 112.5 49.5 -62.9 -45.4 21.0 -4.4 65.9 87 90 A E H X S+ 0 0 94 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.871 108.0 55.9 -61.1 -36.1 17.8 -5.4 67.6 88 91 A G H X S+ 0 0 5 -4,-2.6 4,-2.5 -16,-0.4 -15,-0.2 0.911 104.2 52.8 -62.8 -41.3 16.1 -5.2 64.2 89 92 A W H X S+ 0 0 13 -4,-2.0 4,-2.8 -17,-0.3 -1,-0.2 0.819 104.4 56.0 -64.6 -30.4 18.6 -7.7 62.8 90 93 A K H X S+ 0 0 40 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.934 110.8 44.0 -67.0 -43.5 17.8 -10.1 65.6 91 94 A N H X S+ 0 0 102 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.902 115.7 47.5 -66.9 -42.7 14.1 -10.1 64.7 92 95 A L H X S+ 0 0 2 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.937 111.8 49.9 -64.2 -47.5 14.9 -10.4 61.0 93 96 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.956 114.5 45.3 -55.8 -51.0 17.3 -13.2 61.5 94 97 A N H X S+ 0 0 81 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.936 115.3 47.2 -57.8 -49.0 14.7 -15.0 63.7 95 98 A A H X S+ 0 0 48 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.907 115.3 43.8 -60.9 -46.5 11.9 -14.3 61.2 96 99 A D H X S+ 0 0 0 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.866 112.7 52.0 -69.0 -35.8 13.9 -15.4 58.1 97 100 A L H X S+ 0 0 12 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.848 107.7 53.6 -68.7 -31.6 15.3 -18.5 59.9 98 101 A A H < S+ 0 0 43 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.895 110.1 46.9 -67.7 -40.5 11.7 -19.4 60.8 99 102 A K H ><>S+ 0 0 59 -4,-1.7 5,-2.9 2,-0.2 3,-1.2 0.911 110.4 52.1 -67.1 -42.8 10.7 -19.1 57.1 100 103 A W H ><5S+ 0 0 77 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.928 105.9 55.1 -58.7 -44.2 13.7 -21.2 56.0 101 104 A A T 3<5S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.631 113.2 41.9 -64.1 -15.2 12.7 -23.9 58.5 102 105 A R T < 5S- 0 0 146 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.257 116.5-112.9-113.7 8.5 9.3 -24.0 56.9 103 106 A N T < 5 + 0 0 152 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.800 69.4 142.1 62.2 33.0 10.6 -23.9 53.4 104 107 A E < - 0 0 97 -5,-2.9 -1,-0.3 -8,-0.1 -2,-0.2 -0.818 62.7 -96.6 -99.2 141.9 9.1 -20.4 52.8 105 108 A P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.359 43.4-131.9 -61.6 137.2 11.2 -18.0 50.7 106 109 A T > - 0 0 3 1,-0.1 4,-2.3 -7,-0.1 5,-0.2 -0.415 14.7-117.9 -88.4 162.7 13.2 -15.7 52.9 107 110 A L H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.872 117.8 54.7 -65.8 -35.5 13.6 -11.9 52.6 108 111 A I H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 109.0 47.4 -66.5 -36.1 17.3 -12.4 52.0 109 112 A R H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 111.1 50.6 -69.3 -43.7 16.6 -14.8 49.1 110 113 A E H X S+ 0 0 71 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.844 108.1 52.4 -64.3 -34.0 14.1 -12.4 47.6 111 114 A W H X S+ 0 0 49 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.944 109.5 51.1 -66.1 -44.8 16.5 -9.6 47.8 112 115 A G H X S+ 0 0 15 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.906 105.2 54.9 -56.9 -44.6 19.0 -11.8 46.0 113 116 A D H X S+ 0 0 56 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.902 108.3 49.4 -56.5 -42.6 16.5 -12.6 43.2 114 117 A A H X S+ 0 0 1 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.909 112.3 47.8 -64.7 -41.7 16.0 -8.9 42.6 115 118 A V H X S+ 0 0 12 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.938 112.6 47.7 -65.3 -47.2 19.8 -8.3 42.4 116 119 A F H >< S+ 0 0 11 -4,-3.1 3,-0.9 1,-0.2 -1,-0.2 0.828 102.4 64.4 -63.9 -32.7 20.4 -11.3 40.1 117 120 A D H >< S+ 0 0 61 -4,-2.0 3,-2.1 -5,-0.3 -1,-0.2 0.888 93.4 61.5 -57.7 -40.2 17.5 -10.2 37.8 118 121 A I H 3< S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.826 110.3 40.5 -56.3 -32.4 19.4 -7.0 36.9 119 122 A F T << S+ 0 0 15 -3,-0.9 2,-0.4 -4,-0.6 -1,-0.3 0.139 94.0 93.3-102.7 19.6 22.2 -9.2 35.4 120 123 A D < + 0 0 46 -3,-2.1 -1,-0.1 1,-0.2 3,-0.1 -0.493 33.2 132.2-114.2 64.5 19.9 -11.7 33.8 121 124 A K S S+ 0 0 145 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.569 79.3 41.5 -87.5 -9.9 19.4 -10.5 30.2 122 125 A D S S- 0 0 125 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.380 112.8-106.8-117.7 0.7 20.1 -13.9 28.6 123 126 A G S S+ 0 0 59 -3,-0.1 -3,-0.1 3,-0.1 -2,-0.0 0.282 83.7 121.5 93.6 -11.2 18.3 -16.3 31.0 124 127 A S - 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