==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-FEB-12 4AL0 . COMPND 2 MOLECULE: PROSTAGLANDIN E SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SJOGREN,J.NORD,M.EK,P.JOHANSSON,G.LIU,S.GESCHWINDNER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 80.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL 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 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 7 A V 0 0 114 0, 0.0 3,-0.4 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 -19.3 9.6 3.5 22.5 2 8 A M + 0 0 171 1,-0.2 4,-0.0 5,-0.1 5,-0.0 0.092 360.0 117.5 -97.0 23.6 10.8 1.2 25.3 3 9 A S S S+ 0 0 94 1,-0.1 -1,-0.2 2,-0.0 3,-0.0 0.695 91.4 8.3 -61.4 -21.4 7.5 -0.6 25.5 4 10 A S S > S- 0 0 12 -3,-0.4 3,-1.0 1,-0.0 -1,-0.1 -0.967 81.1-114.4-152.3 155.5 9.4 -3.8 24.5 5 11 A P T 3 S+ 0 0 110 0, 0.0 4,-0.3 0, 0.0 80,-0.1 0.811 113.8 46.5 -65.3 -26.9 13.1 -4.5 24.0 6 12 A A T 3> S+ 0 0 5 78,-0.5 4,-2.3 1,-0.2 5,-0.2 0.583 90.3 87.7 -82.9 -15.9 12.9 -5.1 20.2 7 13 A L H <> S+ 0 0 9 -3,-1.0 4,-2.7 77,-0.3 5,-0.2 0.893 82.4 52.2 -61.8 -44.0 10.8 -2.0 19.5 8 14 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.935 111.9 47.5 -59.3 -42.6 13.6 0.6 19.1 9 15 A A H > S+ 0 0 6 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.915 112.7 49.7 -61.9 -42.5 15.3 -1.6 16.5 10 16 A F H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.929 111.5 48.1 -59.5 -48.3 12.0 -2.1 14.7 11 17 A L H X S+ 0 0 59 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.868 111.4 50.8 -66.4 -35.0 11.2 1.6 14.6 12 18 A L H X S+ 0 0 99 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.961 114.8 41.7 -63.5 -51.5 14.7 2.4 13.4 13 19 A C H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.928 116.1 49.9 -65.6 -43.1 14.6 -0.1 10.5 14 20 A S H X S+ 0 0 6 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.918 111.4 47.1 -57.9 -48.7 11.0 0.8 9.6 15 21 A T H X S+ 0 0 78 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.909 110.0 52.9 -67.8 -39.1 11.5 4.4 9.5 16 22 A L H X S+ 0 0 82 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.902 110.0 50.1 -58.2 -40.4 14.7 4.1 7.4 17 23 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.876 108.3 51.2 -68.1 -37.7 12.6 2.0 5.0 18 24 A V H X S+ 0 0 39 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 111.3 48.6 -62.3 -44.8 9.9 4.6 4.8 19 25 A I H X S+ 0 0 87 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 107.5 55.6 -60.0 -42.0 12.5 7.2 4.0 20 26 A K H X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.835 106.6 50.9 -60.4 -34.1 14.0 4.8 1.4 21 27 A M H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.907 107.2 52.6 -67.8 -42.2 10.5 4.8 -0.3 22 28 A Y H X S+ 0 0 151 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 106.0 55.2 -59.0 -37.6 10.4 8.5 -0.2 23 29 A V H X S+ 0 0 71 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.912 105.7 51.2 -61.4 -43.0 13.8 8.5 -2.0 24 30 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.915 109.3 51.2 -59.2 -42.4 12.3 6.3 -4.7 25 31 A A H X S+ 0 0 45 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 110.9 48.1 -59.6 -43.8 9.5 8.8 -5.1 26 32 A I H X S+ 0 0 100 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.930 112.0 48.6 -62.8 -48.0 12.0 11.7 -5.4 27 33 A I H X S+ 0 0 53 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.916 108.1 55.5 -58.3 -44.3 14.0 9.8 -8.0 28 34 A T H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.931 108.4 47.6 -55.5 -47.5 10.9 9.0 -9.9 29 35 A G H X S+ 0 0 30 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.892 111.3 50.7 -62.8 -39.2 10.0 12.7 -10.2 30 36 A Q H X S+ 0 0 81 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.887 109.6 50.4 -64.7 -40.4 13.5 13.5 -11.2 31 37 A V H X S+ 0 0 30 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.919 108.2 53.1 -65.0 -41.4 13.5 10.9 -14.0 32 38 A R H X>S+ 0 0 55 -4,-2.4 5,-2.0 -5,-0.2 4,-0.8 0.921 113.0 44.3 -58.0 -45.0 10.1 12.2 -15.3 33 39 A L H <5S+ 0 0 74 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.932 116.4 44.8 -66.8 -45.1 11.6 15.7 -15.5 34 40 A R H <5S+ 0 0 177 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.898 122.1 37.0 -69.6 -37.6 14.9 14.6 -17.1 35 41 A K H <5S- 0 0 76 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.483 104.8-128.9 -88.7 -7.3 13.2 12.2 -19.6 36 42 A K T <5 + 0 0 69 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.2 0.963 59.1 143.5 50.1 61.0 10.2 14.6 -20.1 37 43 A A < + 0 0 0 -5,-2.0 2,-0.3 -6,-0.2 16,-0.2 -0.876 22.4 173.9-134.7 97.9 7.8 11.8 -19.5 38 44 A F B -a 53 0A 9 14,-2.8 16,-1.1 -2,-0.4 21,-0.0 -0.764 31.5-145.0-111.4 149.9 4.7 12.9 -17.6 39 45 A A S S+ 0 0 57 -2,-0.3 14,-0.1 14,-0.2 -1,-0.1 0.650 82.5 53.6 -85.5 -18.3 1.6 10.9 -16.7 40 46 A N S >> S- 0 0 67 1,-0.1 4,-2.2 14,-0.1 3,-0.8 -0.958 73.3-134.5-126.7 139.9 -0.8 13.8 -17.0 41 47 A P H 3> S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 107.2 58.0 -59.8 -36.0 -1.5 16.3 -19.8 42 48 A E H 3> S+ 0 0 127 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.850 108.5 46.2 -63.7 -33.5 -1.6 19.2 -17.4 43 49 A D H <> S+ 0 0 58 -3,-0.8 4,-1.2 2,-0.2 3,-0.5 0.924 112.0 50.3 -71.4 -47.7 2.0 18.3 -16.3 44 50 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-0.5 0.893 105.8 55.8 -58.3 -42.6 3.2 17.9 -19.9 45 51 A L H ><5S+ 0 0 114 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.820 107.9 49.1 -64.0 -31.0 1.8 21.3 -21.0 46 52 A R H 3<5S+ 0 0 211 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.763 113.7 47.7 -73.6 -25.7 3.8 23.0 -18.2 47 53 A H T 3<5S- 0 0 56 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 -0.034 137.1 -55.1-113.2 26.5 7.0 21.2 -19.2 48 54 A G T < 5S- 0 0 53 -3,-0.6 -3,-0.2 -4,-0.0 3,-0.1 0.286 94.8 -47.1 131.0 -12.6 7.2 21.6 -22.9 49 55 A G > < - 0 0 10 -5,-2.5 3,-1.9 -6,-0.1 -2,-0.1 -0.648 64.2 -69.2 136.6 168.7 4.0 20.4 -24.7 50 56 A P G > S+ 0 0 89 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.720 114.7 72.7 -67.0 -21.5 1.5 17.7 -25.1 51 57 A Q G 3 S+ 0 0 110 1,-0.3 -6,-0.0 -3,-0.1 -2,-0.0 0.660 86.9 66.4 -66.0 -16.5 4.0 15.3 -26.7 52 58 A Y G < S+ 0 0 57 -3,-1.9 -14,-2.8 -11,-0.1 2,-1.2 0.372 70.7 96.1 -90.7 5.3 5.6 14.9 -23.2 53 59 A C B < +a 38 0A 46 -3,-1.7 2,-0.3 -16,-0.2 -14,-0.2 -0.839 69.1 113.3 -86.9 95.7 2.5 13.1 -21.8 54 60 A R - 0 0 120 -2,-1.2 2,-0.2 -16,-1.1 -14,-0.1 -0.982 69.3 -98.6-162.3 158.1 4.1 9.7 -22.5 55 61 A S - 0 0 93 -2,-0.3 -17,-0.1 -18,-0.1 3,-0.1 -0.555 30.2-167.2 -83.9 156.2 5.5 6.6 -20.9 56 62 A D > - 0 0 18 -2,-0.2 4,-2.7 -19,-0.1 5,-0.2 -0.997 25.9-130.2-143.8 139.0 9.2 6.0 -20.5 57 63 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.853 108.5 50.2 -65.4 -31.2 10.9 2.8 -19.6 58 64 A D H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.898 111.3 48.4 -71.8 -37.8 13.0 4.3 -16.8 59 65 A V H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 111.5 50.9 -62.3 -46.5 9.9 6.0 -15.2 60 66 A E H X S+ 0 0 81 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.902 108.6 51.7 -58.8 -41.4 8.1 2.6 -15.5 61 67 A R H X S+ 0 0 58 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.914 108.4 50.9 -60.8 -45.8 11.0 0.9 -13.7 62 68 A C H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.921 110.2 50.0 -57.5 -44.2 10.9 3.5 -10.9 63 69 A L H X S+ 0 0 78 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.877 108.8 52.2 -64.3 -37.9 7.2 2.8 -10.5 64 70 A R H X S+ 0 0 82 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.903 109.3 49.5 -63.4 -41.7 7.8 -0.9 -10.4 65 71 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.932 112.6 47.1 -61.7 -45.7 10.4 -0.5 -7.6 66 72 A H H X S+ 0 0 42 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 112.3 50.4 -63.4 -41.5 8.0 1.7 -5.7 67 73 A R H X S+ 0 0 108 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.936 109.3 50.3 -61.9 -46.5 5.2 -0.8 -6.2 68 74 A N H X S+ 0 0 21 -4,-2.7 4,-0.9 1,-0.2 5,-0.3 0.917 108.3 53.9 -61.1 -39.0 7.3 -3.7 -5.0 69 75 A D H >X>S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.9 0.921 108.2 49.3 -56.7 -46.2 8.2 -1.7 -2.0 70 76 A M H 3<5S+ 0 0 82 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.856 109.2 53.3 -64.3 -30.6 4.5 -1.2 -1.2 71 77 A E H 3<5S+ 0 0 102 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.667 126.8 19.3 -72.7 -21.3 3.9 -5.0 -1.7 72 78 A T H S+ 0 0 57 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.890 109.9 55.5 -61.2 -37.6 3.3 -5.7 5.4 76 82 A F H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.4 0.874 100.9 58.3 -58.1 -40.6 6.6 -5.5 7.3 77 83 A L H X S+ 0 0 52 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.909 114.4 37.6 -56.5 -41.9 5.4 -2.3 9.1 78 84 A F H X S+ 0 0 137 -4,-1.4 4,-2.2 -5,-0.2 5,-0.2 0.965 120.6 43.5 -71.5 -55.5 2.5 -4.3 10.4 79 85 A L H X S+ 0 0 29 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.904 114.8 48.3 -61.7 -47.0 4.2 -7.6 11.1 80 86 A G H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.857 110.0 52.6 -64.7 -34.9 7.3 -6.2 12.7 81 87 A F H X S+ 0 0 100 -4,-1.0 4,-0.6 -5,-0.4 -2,-0.2 0.958 114.7 41.1 -63.6 -52.3 5.3 -3.9 15.0 82 88 A V H >< S+ 0 0 41 -4,-2.2 3,-1.7 1,-0.2 4,-0.3 0.939 113.2 54.4 -60.5 -48.0 3.2 -6.7 16.3 83 89 A Y H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.3 -1,-0.2 0.853 97.8 64.5 -56.1 -38.0 6.2 -9.1 16.5 84 90 A S H 3< S+ 0 0 1 -4,-1.8 -78,-0.5 1,-0.3 3,-0.4 0.756 102.5 49.5 -57.8 -27.2 8.1 -6.6 18.6 85 91 A F T << S+ 0 0 94 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.378 90.7 80.6 -95.8 5.6 5.4 -7.0 21.4 86 92 A L S < S- 0 0 61 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.1 0.244 105.4-110.1 -95.8 11.4 5.5 -10.8 21.4 87 93 A G + 0 0 68 -3,-0.4 -3,-0.1 1,-0.1 -2,-0.1 0.863 51.4 176.3 66.2 39.5 8.6 -11.1 23.5 88 94 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -82,-0.1 -0.364 47.2 -86.3 -68.4 156.5 11.1 -12.4 20.9 89 95 A N > - 0 0 94 1,-0.1 4,-2.7 2,-0.0 5,-0.2 -0.477 43.2-132.1 -52.8 123.2 14.7 -12.9 21.8 90 96 A P H > S+ 0 0 63 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.871 103.2 48.7 -56.8 -39.6 16.0 -9.3 21.2 91 97 A F H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.907 112.2 49.0 -65.2 -43.4 19.1 -10.5 19.1 92 98 A V H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 111.6 50.2 -60.3 -42.9 16.9 -12.8 17.0 93 99 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.943 108.4 52.2 -61.5 -46.7 14.5 -9.9 16.5 94 100 A W H X S+ 0 0 110 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.895 108.0 52.4 -53.7 -44.1 17.4 -7.6 15.4 95 101 A M H X S+ 0 0 79 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.900 108.1 50.1 -62.8 -40.9 18.4 -10.2 12.9 96 102 A H H X S+ 0 0 26 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.941 115.4 43.4 -59.8 -48.0 14.9 -10.3 11.4 97 103 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.901 114.5 48.4 -67.6 -41.4 14.8 -6.6 11.1 98 104 A L H X S+ 0 0 59 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.882 109.8 51.5 -67.2 -41.7 18.4 -6.2 9.7 99 105 A V H X S+ 0 0 50 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.933 113.1 46.7 -61.2 -42.7 17.9 -8.9 7.1 100 106 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.947 114.1 47.2 -63.6 -47.5 14.7 -7.2 5.9 101 107 A L H X S+ 0 0 27 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.948 116.3 42.4 -58.5 -51.7 16.4 -3.7 5.9 102 108 A V H X S+ 0 0 78 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.932 114.9 50.9 -65.3 -43.5 19.5 -4.9 4.0 103 109 A G H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.905 112.8 45.6 -60.1 -43.1 17.5 -7.0 1.6 104 110 A R H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.881 112.1 49.1 -71.8 -39.0 15.2 -4.2 0.8 105 111 A V H X S+ 0 0 61 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.952 113.7 48.6 -62.1 -43.9 17.9 -1.6 0.3 106 112 A A H X S+ 0 0 36 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.870 107.0 56.9 -60.6 -38.3 19.7 -4.0 -1.9 107 113 A H H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.930 107.8 46.5 -59.7 -46.7 16.5 -4.7 -3.8 108 114 A T H X S+ 0 0 15 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.912 113.1 49.2 -64.9 -41.5 16.1 -1.0 -4.7 109 115 A V H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 6,-0.2 0.934 114.0 46.5 -60.3 -44.9 19.7 -0.7 -5.7 110 116 A A H <>S+ 0 0 2 -4,-2.9 5,-2.0 2,-0.2 -2,-0.2 0.838 116.9 44.4 -65.1 -35.2 19.4 -3.9 -7.9 111 117 A Y H ><5S+ 0 0 21 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.970 121.0 35.3 -76.3 -57.2 16.1 -2.7 -9.5 112 118 A L H 3<5S+ 0 0 44 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.812 118.2 53.9 -69.8 -28.6 17.0 0.9 -10.2 113 119 A G T 3<5S- 0 0 45 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.453 104.6-130.2 -81.8 -4.4 20.6 -0.0 -11.0 114 120 A K T < 5 - 0 0 118 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.877 38.7-177.1 58.2 41.2 19.5 -2.6 -13.6 115 121 A L < - 0 0 83 -5,-2.0 5,-0.3 -6,-0.2 -1,-0.2 -0.357 32.5 -88.3 -71.9 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