==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-JAN-09 3FUY . COMPND 2 MOLECULE: PUTATIVE INTEGRON GENE CASSETTE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED BACTERIUM; . AUTHOR V.SURESHAN,C.N.DESHPANDE,S.J.HARROP,M.KUDRYTSKA,J.E.KOENIG, . 469 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 62 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 0 0 6 0 0 3 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 3 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 3 A S 0 0 80 0, 0.0 16,-2.8 0, 0.0 17,-0.7 0.000 360.0 360.0 360.0 -23.3 7.8 14.5 24.7 2 4 A V E -A 16 0A 57 14,-0.2 2,-0.5 15,-0.1 14,-0.2 -0.970 360.0-160.8-121.2 130.9 4.7 15.5 26.7 3 5 A N E -A 15 0A 29 12,-3.0 12,-2.7 -2,-0.4 2,-0.4 -0.956 11.4-174.5-113.1 118.2 4.6 17.1 30.2 4 6 A T E +A 14 0A 28 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.917 3.3 179.0-113.5 137.2 1.4 16.9 32.1 5 7 A S E -A 13 0A 0 8,-1.9 8,-2.3 -2,-0.4 2,-0.7 -0.999 24.3-135.8-138.1 137.5 0.7 18.6 35.5 6 8 A F E +A 12 0A 0 -2,-0.3 6,-0.2 6,-0.2 165,-0.2 -0.857 19.4 176.6 -93.4 115.1 -2.3 18.7 37.8 7 9 A L E S- 0 0 30 4,-2.8 -1,-0.2 -2,-0.7 5,-0.2 0.785 82.7 -16.8 -80.8 -33.0 -3.1 22.2 39.0 8 10 A S E > S-A 11 0A 25 3,-1.6 3,-0.9 -3,-0.1 -1,-0.3 -0.875 88.1 -83.2-151.6-178.0 -6.1 20.7 40.7 9 11 A P T 3 S+ 0 0 0 0, 0.0 25,-2.5 0, 0.0 23,-0.0 0.877 130.4 33.4 -60.3 -30.4 -8.0 17.4 40.3 10 12 A S T 3 S+ 0 0 10 23,-0.2 17,-2.1 1,-0.1 2,-0.4 0.228 109.0 71.5-111.1 10.2 -9.9 18.9 37.3 11 13 A L E < +AB 8 26A 34 -3,-0.9 -4,-2.8 15,-0.2 -3,-1.6 -0.941 56.8 171.4-135.9 112.2 -7.4 21.2 35.8 12 14 A V E -AB 6 25A 0 13,-3.0 13,-3.4 -2,-0.4 2,-0.4 -0.950 22.7-146.1-123.4 134.6 -4.4 19.9 33.9 13 15 A T E -AB 5 24A 0 -8,-2.3 -8,-1.9 -2,-0.4 2,-0.5 -0.860 15.1-165.2 -96.0 140.0 -1.7 21.6 31.9 14 16 A I E -AB 4 23A 0 9,-2.6 9,-2.3 -2,-0.4 2,-0.6 -0.961 5.8-174.0-128.6 114.8 -0.4 19.7 28.9 15 17 A R E -AB 3 22A 13 -12,-2.7 -12,-3.0 -2,-0.5 2,-0.7 -0.933 6.1-164.7-110.0 115.5 2.8 20.7 27.1 16 18 A D E > -AB 2 21A 11 5,-2.1 5,-2.2 -2,-0.6 4,-0.3 -0.877 7.0-178.2 -99.4 105.6 3.7 18.8 23.9 17 19 A F T > 5S+ 0 0 36 -16,-2.8 3,-0.7 -2,-0.7 -1,-0.2 0.916 76.9 52.7 -68.9 -46.3 7.4 19.6 23.1 18 20 A D T 3 5S+ 0 0 106 -17,-0.7 -1,-0.2 1,-0.3 -16,-0.1 0.855 120.6 32.4 -63.4 -38.3 7.7 17.6 19.9 19 21 A N T 3 5S- 0 0 70 -18,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.347 106.9-125.4 -99.4 4.8 4.7 19.2 18.2 20 22 A G T < 5 + 0 0 30 -3,-0.7 2,-0.3 -4,-0.3 -3,-0.2 0.936 61.7 133.9 52.4 56.6 5.2 22.5 20.0 21 23 A Q E < -B 16 0A 3 -5,-2.2 -5,-2.1 49,-0.0 2,-0.3 -0.894 37.7-163.7-132.0 160.0 1.7 22.8 21.4 22 24 A F E +B 15 0A 0 49,-0.4 2,-0.3 -2,-0.3 -7,-0.2 -0.986 13.0 173.1-144.6 136.0 0.1 23.7 24.8 23 25 A A E -B 14 0A 0 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.5 -0.999 26.4-136.5-143.1 147.7 -3.4 23.0 26.1 24 26 A V E -Bc 13 73A 0 48,-2.4 50,-2.4 -2,-0.3 2,-0.5 -0.895 20.0-157.0 -98.0 125.5 -5.3 23.3 29.3 25 27 A L E +Bc 12 74A 0 -13,-3.4 -13,-3.0 -2,-0.5 2,-0.4 -0.915 17.1 175.1-101.1 126.6 -7.5 20.4 30.1 26 28 A R E -Bc 11 75A 66 48,-2.5 50,-2.8 -2,-0.5 2,-1.2 -0.998 33.8-148.6-133.7 139.8 -10.4 21.0 32.4 27 29 A I > + 0 0 1 -17,-2.1 4,-1.4 -2,-0.4 50,-0.1 -0.743 38.7 168.5 -96.9 80.6 -13.3 18.8 33.6 28 30 A G T 4 + 0 0 40 -2,-1.2 -1,-0.2 48,-0.4 49,-0.2 0.928 57.5 43.6 -69.7 -54.6 -15.6 21.8 33.8 29 31 A R T 4 S+ 0 0 134 47,-0.7 -1,-0.2 1,-0.2 48,-0.1 0.928 128.7 22.1 -64.2 -46.7 -19.1 20.7 34.3 30 32 A T T 4 S- 0 0 14 46,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.739 85.4-137.5 -94.2 -26.2 -18.6 18.0 36.9 31 33 A G < + 0 0 2 -4,-1.4 276,-2.7 1,-0.2 -3,-0.1 0.631 48.8 157.8 71.0 13.7 -15.3 19.0 38.4 32 34 A F - 0 0 16 274,-0.2 -1,-0.2 1,-0.1 -5,-0.2 -0.340 51.4 -91.5 -70.3 152.1 -14.4 15.3 38.3 33 35 A P - 0 0 6 0, 0.0 -23,-0.2 0, 0.0 2,-0.2 -0.384 43.2-110.0 -65.1 139.1 -10.7 14.3 38.4 34 36 A A - 0 0 0 -25,-2.5 2,-0.2 -9,-0.1 -23,-0.1 -0.492 39.2-163.1 -67.4 131.3 -9.1 14.0 35.0 35 37 A D > - 0 0 71 -2,-0.2 4,-2.1 -3,-0.1 5,-0.2 -0.523 37.9 -90.0-107.3 179.9 -8.3 10.3 34.2 36 38 A K H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 126.9 54.1 -60.9 -35.9 -6.0 8.8 31.6 37 39 A G H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 107.2 49.7 -61.8 -43.9 -8.8 8.6 29.1 38 40 A D H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 112.9 47.1 -62.4 -41.3 -9.6 12.4 29.5 39 41 A I H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.909 111.6 50.0 -68.7 -40.1 -5.9 13.2 29.0 40 42 A D H X S+ 0 0 77 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.909 109.3 52.9 -62.6 -42.1 -5.7 10.9 25.9 41 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.2 0.928 108.4 50.2 -54.3 -48.9 -8.8 12.6 24.6 42 44 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.926 108.3 52.2 -59.3 -45.2 -7.1 16.0 25.0 43 45 A L H X S+ 0 0 50 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.819 108.3 52.4 -58.9 -33.4 -4.0 14.7 23.2 44 46 A D H X S+ 0 0 65 -4,-1.7 4,-2.2 -3,-0.2 -1,-0.2 0.872 109.5 47.4 -73.5 -34.8 -6.3 13.6 20.3 45 47 A K H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.878 109.4 53.8 -73.5 -37.9 -8.0 17.0 20.0 46 48 A X H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.919 110.5 47.8 -56.0 -43.2 -4.5 18.6 20.1 47 49 A K H X S+ 0 0 88 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.902 108.3 54.5 -66.5 -40.3 -3.6 16.3 17.2 48 50 A G H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.923 107.7 50.8 -56.3 -45.1 -6.8 17.2 15.3 49 51 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.938 110.2 46.9 -63.0 -46.4 -5.9 20.9 15.6 50 52 A R H X S+ 0 0 62 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.791 111.3 52.9 -68.0 -24.5 -2.4 20.5 14.2 51 53 A D H X S+ 0 0 66 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.904 108.7 49.5 -73.7 -41.2 -3.7 18.3 11.3 52 54 A A H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.913 108.8 54.6 -56.6 -44.6 -6.2 21.1 10.5 53 55 A Q H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.932 105.6 50.5 -54.9 -49.4 -3.3 23.5 10.6 54 56 A Q H < S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 105.8 59.0 -61.4 -29.6 -1.4 21.4 8.1 55 57 A S H < S+ 0 0 73 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.943 110.3 40.0 -60.2 -49.2 -4.5 21.5 5.9 56 58 A I H < S- 0 0 36 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.701 135.9 -46.3 -77.4 -20.1 -4.5 25.3 5.8 57 59 A G < - 0 0 19 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 -0.475 60.5 -82.5 152.2 136.8 -0.7 25.5 5.4 58 60 A D > - 0 0 64 -4,-0.2 3,-1.4 1,-0.2 8,-0.1 -0.367 35.4-167.6 -58.0 104.8 2.6 24.2 6.7 59 61 A D T 3 S+ 0 0 46 -2,-0.6 -1,-0.2 1,-0.3 5,-0.1 0.550 84.3 64.0 -74.9 -6.5 3.2 26.4 9.8 60 62 A T T 3 S+ 0 0 113 2,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.518 77.9 107.0 -92.4 -8.8 6.8 25.1 9.9 61 63 A E S X S- 0 0 111 -3,-1.4 3,-1.5 1,-0.1 2,-0.1 -0.528 81.6-109.9 -67.2 133.5 7.6 26.7 6.5 62 64 A F T 3 S+ 0 0 201 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 -0.385 103.3 21.9 -67.2 143.6 9.7 29.8 6.9 63 65 A G T 3 S- 0 0 49 1,-0.2 -1,-0.3 76,-0.1 -2,-0.1 0.522 85.3-176.3 75.5 5.3 8.0 33.1 6.2 64 66 A F < - 0 0 24 -3,-1.5 -1,-0.2 1,-0.2 -5,-0.1 -0.084 13.9-161.4 -39.9 111.9 4.7 31.3 6.9 65 67 A K + 0 0 185 1,-0.3 28,-0.4 -3,-0.2 -1,-0.2 0.575 41.9 176.9 -82.6 -9.5 2.2 34.0 6.2 66 68 A G - 0 0 23 1,-0.3 -1,-0.3 -8,-0.1 2,-0.1 -0.509 64.1-142.1 107.1-175.2 -0.6 32.2 8.1 67 69 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.594 37.9-153.3 -86.5 168.6 -3.1 31.7 9.3 68 70 A H E - D 0 91A 13 23,-3.0 23,-3.5 -2,-0.1 2,-0.5 -0.896 6.9-167.1-100.2 131.0 -2.4 30.0 12.6 69 71 A I E + D 0 90A 6 -2,-0.5 2,-0.4 21,-0.2 21,-0.2 -0.977 19.7 178.0-112.3 116.3 -5.0 27.6 14.1 70 72 A R E - D 0 89A 18 19,-2.8 19,-2.9 -2,-0.5 2,-0.2 -0.964 26.7-131.1-127.1 131.2 -4.0 26.9 17.8 71 73 A I E + D 0 88A 2 -2,-0.4 -49,-0.4 17,-0.2 17,-0.2 -0.537 27.5 168.1 -74.7 142.1 -5.6 24.8 20.5 72 74 A R E + 0 0 0 15,-2.9 -48,-2.4 1,-0.3 2,-0.3 0.675 59.7 0.1-115.0 -48.2 -6.0 26.5 23.9 73 75 A C E -cD 24 87A 0 14,-1.6 14,-3.3 -50,-0.3 2,-0.5 -0.999 44.2-153.0-153.2 140.9 -8.3 24.4 26.0 74 76 A V E -cD 25 86A 0 -50,-2.4 -48,-2.5 -2,-0.3 2,-0.7 -0.984 18.9-164.9-113.8 118.7 -10.3 21.2 26.0 75 77 A D E -cD 26 85A 27 10,-3.2 10,-2.6 -2,-0.5 2,-0.4 -0.918 9.0-154.7-110.6 111.7 -13.2 21.4 28.4 76 78 A I E - D 0 84A 0 -50,-2.8 -47,-0.7 -2,-0.7 2,-0.6 -0.712 10.6-164.0 -93.7 133.2 -14.8 18.0 29.1 77 79 A D E + D 0 83A 34 6,-2.8 6,-2.4 -2,-0.4 4,-0.1 -0.945 20.9 160.6-112.7 103.9 -18.4 17.5 30.2 78 80 A D + 0 0 37 -2,-0.6 4,-0.1 4,-0.2 -1,-0.1 -0.022 36.7 110.4-115.8 31.3 -18.7 14.0 31.6 79 81 A K S S- 0 0 57 2,-0.1 -1,-0.1 4,-0.0 3,-0.1 0.992 99.4 -10.7 -70.9 -64.5 -21.9 14.5 33.6 80 82 A H S S+ 0 0 116 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.808 138.2 2.8-103.9 -44.1 -24.5 12.4 31.8 81 83 A T S S- 0 0 85 -4,-0.1 2,-0.7 46,-0.0 -1,-0.3 -0.679 89.4 -86.6-131.6-175.0 -22.7 11.6 28.5 82 84 A Y + 0 0 48 43,-0.3 45,-2.2 -2,-0.2 2,-0.3 -0.872 55.2 155.3-110.1 109.8 -19.2 12.3 27.3 83 85 A N E -De 77 127A 44 -6,-2.4 -6,-2.8 -2,-0.7 2,-0.4 -0.923 23.1-156.6-132.7 158.4 -18.7 15.6 25.5 84 86 A A E -De 76 128A 4 43,-2.1 45,-2.6 -2,-0.3 2,-0.5 -0.998 7.3-157.9-138.2 135.7 -15.9 18.1 24.8 85 87 A X E -De 75 129A 62 -10,-2.6 -10,-3.2 -2,-0.4 2,-0.6 -0.965 17.0-158.0-106.8 123.1 -15.7 21.8 24.0 86 88 A V E -De 74 130A 0 43,-2.5 45,-2.7 -2,-0.5 2,-0.6 -0.904 1.1-155.9-105.5 117.7 -12.4 22.7 22.2 87 89 A Y E +De 73 131A 46 -14,-3.3 -15,-2.9 -2,-0.6 -14,-1.6 -0.841 21.9 173.9 -93.4 122.6 -11.3 26.3 22.5 88 90 A V E -De 71 132A 2 43,-2.7 45,-2.3 -2,-0.6 2,-0.5 -0.862 25.7-135.7-125.1 158.3 -9.1 27.3 19.6 89 91 A D E -De 70 133A 5 -19,-2.9 -19,-2.8 -2,-0.3 2,-0.6 -0.964 7.9-158.3-111.1 133.6 -7.5 30.6 18.3 90 92 A L E -De 69 134A 3 43,-3.2 45,-2.9 -2,-0.5 2,-0.6 -0.961 15.4-168.5-104.0 118.1 -7.5 31.5 14.7 91 93 A I E -De 68 135A 0 -23,-3.5 -23,-3.0 -2,-0.6 2,-0.3 -0.924 4.5-174.7-115.8 115.4 -4.6 34.0 14.1 92 94 A V E - e 0 136A 14 43,-2.8 45,-1.4 -2,-0.6 -26,-0.1 -0.763 38.8 -87.9-105.7 151.8 -4.4 35.9 10.8 93 95 A G E > - e 0 137A 20 -28,-0.4 3,-1.1 -2,-0.3 45,-0.2 -0.349 39.4-124.5 -52.3 131.5 -1.8 38.2 9.5 94 96 A T T 3 S+ 0 0 68 43,-1.6 -1,-0.2 1,-0.3 44,-0.1 0.548 105.1 59.3 -62.6 -9.6 -2.7 41.7 10.7 95 97 A G T 3 S+ 0 0 77 42,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.093 77.7 126.0-112.2 35.9 -2.6 43.1 7.1 96 98 A A < - 0 0 32 -3,-1.1 -4,-0.0 1,-0.1 5,-0.0 -0.727 58.6-114.6-101.7 144.3 -5.3 40.9 5.6 97 99 A S > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.232 30.9-107.0 -69.5 159.9 -8.4 42.0 3.7 98 100 A E H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.897 123.2 47.1 -52.3 -42.9 -12.0 41.4 5.0 99 101 A V H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 108.7 53.2 -74.1 -31.8 -12.4 38.7 2.3 100 102 A E H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 111.5 47.0 -68.8 -35.8 -9.1 37.1 3.1 101 103 A R H X S+ 0 0 78 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.954 111.4 50.8 -65.3 -51.2 -10.1 36.8 6.7 102 104 A E H X S+ 0 0 91 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.889 111.5 48.5 -52.5 -45.2 -13.5 35.5 5.8 103 105 A T H X S+ 0 0 88 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.888 112.7 47.8 -63.5 -41.5 -11.9 32.8 3.6 104 106 A A H X S+ 0 0 14 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.922 111.8 50.9 -65.8 -43.2 -9.4 31.9 6.4 105 107 A E H X S+ 0 0 27 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.855 112.5 43.7 -64.1 -39.4 -12.2 31.7 9.0 106 108 A E H X S+ 0 0 99 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.824 112.7 52.2 -78.9 -30.1 -14.5 29.4 6.9 107 109 A L H X S+ 0 0 65 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.869 111.9 45.5 -72.3 -37.1 -11.6 27.1 5.8 108 110 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.891 110.5 54.2 -70.7 -40.1 -10.4 26.6 9.4 109 111 A K H X S+ 0 0 55 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.848 111.9 45.1 -62.1 -35.5 -14.0 26.0 10.6 110 112 A E H X S+ 0 0 97 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.897 113.0 47.9 -77.0 -43.5 -14.4 23.3 8.0 111 113 A K H X S+ 0 0 62 -4,-2.1 4,-3.0 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