==== 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 LIGASE 03-JUN-01 1JBB . COMPND 2 MOLECULE: UBIQUITIN CONJUGATING ENZYME E2-17.5 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.P.VANDEMARK,R.M.HOFMANN,C.TSUI,C.M.PICKART,C.WOLBERGER . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.0 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 . 50 16.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 0 0 0 0 0 2 2 0 2 0 0 0 0 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 . 5 0 0 2 1 1 2 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 1 0 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 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 0 169 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 14.7 30.3 64.0 2 4 A L - 0 0 62 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.422 360.0-105.4 -64.9 128.0 13.4 32.3 61.0 3 5 A P >> - 0 0 51 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.242 20.1-129.9 -55.5 139.0 10.6 34.8 62.0 4 6 A K H 3> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 105.3 62.5 -60.7 -35.4 7.1 33.7 60.9 5 7 A R H 3> S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 102.2 49.6 -59.1 -40.0 6.5 37.1 59.3 6 8 A I H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.902 110.1 50.3 -67.4 -38.5 9.3 36.6 56.9 7 9 A I H X S+ 0 0 90 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.926 112.8 47.7 -63.7 -44.8 8.0 33.1 55.9 8 10 A K H X S+ 0 0 155 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.887 112.9 46.5 -64.9 -41.3 4.5 34.5 55.3 9 11 A E H X S+ 0 0 7 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.889 112.7 50.8 -68.4 -39.9 5.7 37.5 53.2 10 12 A T H X S+ 0 0 10 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.922 108.1 52.0 -63.6 -44.4 8.0 35.3 51.1 11 13 A E H X S+ 0 0 100 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.919 111.3 47.2 -59.6 -42.7 5.2 32.9 50.4 12 14 A K H X S+ 0 0 104 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.852 108.7 55.3 -66.8 -34.7 2.9 35.7 49.3 13 15 A L H < S+ 0 0 9 -4,-1.9 10,-0.3 1,-0.2 -1,-0.2 0.866 116.9 35.3 -66.2 -38.1 5.6 37.2 47.1 14 16 A V H < S+ 0 0 79 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.773 120.6 47.1 -88.8 -26.9 6.1 33.9 45.2 15 17 A S H < S+ 0 0 59 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.936 128.8 16.4 -82.1 -48.2 2.5 32.7 45.2 16 18 A D S < S- 0 0 76 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.682 84.6-169.3-126.9 79.1 0.7 35.9 44.1 17 19 A P - 0 0 72 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.266 28.1-104.1 -65.6 151.6 3.4 38.2 42.6 18 20 A V > - 0 0 16 -5,-0.1 3,-1.9 1,-0.1 2,-0.1 -0.490 51.0 -90.0 -72.9 145.1 2.7 41.9 41.7 19 21 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.377 112.5 13.9 -60.0 130.1 2.3 42.5 38.0 20 22 A G T 3 S+ 0 0 23 1,-0.2 18,-2.5 -2,-0.1 2,-0.4 0.346 111.6 93.6 88.0 -5.6 5.7 43.2 36.4 21 23 A I E < -A 37 0A 8 -3,-1.9 2,-0.4 16,-0.2 16,-0.2 -0.953 48.4-171.9-127.5 141.9 7.7 42.1 39.3 22 24 A T E -A 36 0A 70 14,-2.4 14,-2.3 -2,-0.4 2,-0.4 -0.988 5.1-177.1-128.8 137.9 9.4 38.8 40.3 23 25 A A E +A 35 0A 8 -2,-0.4 12,-0.2 -10,-0.3 -2,-0.0 -0.977 6.3 169.8-138.9 123.1 11.0 38.1 43.7 24 26 A E E -A 34 0A 114 10,-2.3 10,-2.3 -2,-0.4 -2,-0.0 -0.991 38.9-109.2-138.6 131.9 12.7 34.8 44.6 25 27 A P E -A 33 0A 34 0, 0.0 2,-0.6 0, 0.0 8,-0.3 -0.326 37.6-120.9 -55.4 129.6 14.9 33.9 47.6 26 28 A H S > S- 0 0 111 6,-3.8 3,-0.8 3,-0.3 6,-0.2 -0.687 70.9 -41.8 -77.7 117.3 18.5 33.6 46.5 27 29 A D T 3 S- 0 0 100 -2,-0.6 5,-0.1 1,-0.2 0, 0.0 -0.126 110.1 -36.6 56.3-153.0 19.4 30.0 47.4 28 30 A D T 3 S+ 0 0 164 2,-0.0 2,-0.6 0, 0.0 -1,-0.2 0.576 111.6 98.0 -79.2 -10.9 18.3 28.6 50.7 29 31 A N X - 0 0 41 -3,-0.8 3,-0.9 1,-0.1 -3,-0.3 -0.711 57.1-162.2 -82.9 120.0 18.7 31.8 52.7 30 32 A L T 3 S+ 0 0 50 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.403 83.2 67.8 -82.8 3.2 15.3 33.6 53.0 31 33 A R T 3 S+ 0 0 45 -5,-0.1 25,-2.4 1,-0.1 2,-0.5 0.510 92.8 67.5 -96.8 -6.3 16.9 37.0 53.9 32 34 A Y E < + B 0 55A 123 -3,-0.9 -6,-3.8 -6,-0.2 2,-0.3 -0.962 64.2 179.8-121.0 119.2 18.4 37.4 50.4 33 35 A F E -AB 25 54A 7 21,-3.1 21,-2.1 -2,-0.5 2,-0.5 -0.875 23.8-147.4-119.8 148.7 16.2 38.0 47.4 34 36 A Q E -AB 24 53A 34 -10,-2.3 -10,-2.3 -2,-0.3 2,-0.4 -0.960 28.6-170.7-108.5 127.9 16.9 38.5 43.7 35 37 A V E -AB 23 52A 3 17,-3.0 17,-3.1 -2,-0.5 2,-0.4 -0.952 12.9-165.7-125.1 139.5 14.2 40.8 42.2 36 38 A T E -AB 22 51A 37 -14,-2.3 -14,-2.4 -2,-0.4 2,-0.4 -0.974 2.3-171.4-123.3 143.8 13.3 41.7 38.6 37 39 A I E -AB 21 50A 0 13,-2.0 13,-2.9 -2,-0.4 -16,-0.2 -0.998 23.6-128.0-133.7 125.7 11.1 44.6 37.6 38 40 A E E - B 0 49A 109 -18,-2.5 11,-0.2 -2,-0.4 8,-0.1 -0.497 34.9-103.7 -69.9 140.2 10.0 45.1 34.0 39 41 A G - 0 0 5 9,-3.1 -1,-0.1 6,-0.3 4,-0.1 -0.466 49.9 -99.3 -63.5 134.0 10.7 48.6 32.6 40 42 A P > - 0 0 23 0, 0.0 3,-1.1 0, 0.0 6,-0.2 -0.228 37.9-105.8 -57.9 141.7 7.3 50.3 32.6 41 43 A E T 3 S+ 0 0 169 1,-0.2 4,-0.0 4,-0.1 6,-0.0 -0.391 106.2 23.1 -64.4 142.9 5.5 50.5 29.2 42 44 A Q T 3 S+ 0 0 141 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.745 103.3 104.3 70.1 24.2 5.7 54.0 27.7 43 45 A S S X S- 0 0 11 -3,-1.1 3,-1.6 -4,-0.1 -1,-0.3 -0.815 90.7-104.0-124.8 166.8 8.8 54.9 29.7 44 46 A P T 3 S+ 0 0 12 0, 0.0 3,-0.3 0, 0.0 98,-0.2 0.681 122.3 58.6 -66.1 -12.6 12.4 55.1 28.4 45 47 A Y T > S+ 0 0 0 -5,-0.2 3,-1.8 65,-0.2 -6,-0.3 0.378 70.8 110.6 -97.0 3.3 12.9 51.8 30.2 46 48 A E T < S+ 0 0 63 -3,-1.6 -1,-0.2 1,-0.3 -7,-0.1 0.645 70.6 56.3 -55.3 -25.3 10.2 49.8 28.4 47 49 A D T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.562 102.9 65.1 -87.6 -4.1 12.4 47.4 26.4 48 50 A G < - 0 0 4 -3,-1.8 -9,-3.1 -8,-0.1 2,-0.4 -0.673 64.8-135.8-123.0 173.2 14.3 46.0 29.4 49 51 A I E -BC 38 147A 43 98,-2.4 98,-2.0 -11,-0.2 2,-0.4 -0.979 27.2-146.6-119.1 133.3 14.1 44.0 32.6 50 52 A F E -B 37 0A 1 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.4 -0.839 4.2-145.3-107.1 138.7 15.9 45.4 35.7 51 53 A E E +B 36 0A 56 -2,-0.4 19,-3.1 -15,-0.2 20,-1.7 -0.854 18.8 177.8-107.1 137.8 17.6 43.4 38.4 52 54 A L E -BD 35 69A 1 -17,-3.1 -17,-3.0 -2,-0.4 2,-0.4 -0.955 21.5-139.1-133.2 153.0 17.7 44.3 42.0 53 55 A E E -BD 34 68A 87 15,-2.7 15,-2.1 -2,-0.3 2,-0.4 -0.901 19.8-169.4-110.4 139.8 19.1 42.7 45.2 54 56 A L E -BD 33 67A 5 -21,-2.1 -21,-3.1 -2,-0.4 2,-0.4 -0.999 3.0-171.6-134.7 132.5 17.1 42.9 48.4 55 57 A Y E -BD 32 66A 64 11,-2.9 11,-3.1 -2,-0.4 -23,-0.2 -0.978 16.3-145.9-126.2 135.0 18.2 42.0 51.9 56 58 A L - 0 0 0 -25,-2.4 8,-0.1 -2,-0.4 -2,-0.0 -0.888 26.5-138.9 -98.6 113.1 16.1 41.7 55.1 57 59 A P > - 0 0 14 0, 0.0 3,-2.1 0, 0.0 6,-0.1 -0.228 25.5-101.0 -69.5 163.8 18.3 42.8 58.0 58 60 A D T 3 S+ 0 0 120 1,-0.3 -2,-0.0 3,-0.1 0, 0.0 0.817 122.4 50.2 -52.9 -33.8 18.3 41.0 61.4 59 61 A D T > S+ 0 0 112 5,-0.1 3,-2.5 2,-0.1 4,-0.4 0.425 89.6 161.6 -88.3 1.9 16.0 43.6 62.9 60 62 A Y T < + 0 0 9 -3,-2.1 4,-0.1 1,-0.3 -54,-0.1 -0.349 57.5 33.9 -55.3 143.9 13.4 43.5 60.1 61 63 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.949 123.7 49.1 -84.4 9.1 10.5 44.5 60.3 62 64 A M S < S+ 0 0 155 -3,-2.5 2,-0.3 32,-0.1 -2,-0.3 0.718 115.3 51.1 -79.7 -19.8 11.7 47.3 62.6 63 65 A E S S- 0 0 77 -4,-0.4 31,-0.1 -6,-0.1 3,-0.1 -0.883 98.0-110.4-113.1 145.1 14.5 48.1 60.1 64 66 A A - 0 0 3 -2,-0.3 -5,-0.1 25,-0.2 -4,-0.1 -0.358 36.8 -97.4 -75.6 155.4 13.8 48.6 56.4 65 67 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.356 36.6-123.9 -65.7 155.4 14.8 46.1 53.7 66 68 A K E +D 55 0A 84 -11,-3.1 -11,-2.9 -3,-0.1 2,-0.3 -0.902 37.1 177.9-102.2 130.0 18.0 47.0 52.0 67 69 A V E +D 54 0A 20 -2,-0.5 17,-0.5 -13,-0.2 2,-0.3 -0.987 10.1 171.4-136.5 144.6 17.6 47.2 48.2 68 70 A R E -D 53 0A 82 -15,-2.1 -15,-2.7 -2,-0.3 2,-0.3 -0.990 34.2-115.8-152.0 141.9 19.9 48.1 45.3 69 71 A F E -D 52 0A 2 13,-2.4 -17,-0.3 -2,-0.3 4,-0.1 -0.636 18.7-171.1 -76.0 132.9 19.7 48.0 41.5 70 72 A L S S+ 0 0 78 -19,-3.1 2,-0.2 -2,-0.3 -18,-0.2 0.814 70.8 80.4 -87.1 -38.2 22.3 45.6 40.1 71 73 A T S S- 0 0 8 -20,-1.7 2,-0.2 -3,-0.1 75,-0.1 -0.498 91.6-118.5 -70.9 130.8 21.4 46.9 36.7 72 74 A K - 0 0 109 -2,-0.2 2,-0.3 73,-0.1 73,-0.2 -0.531 42.2-176.9 -69.7 131.7 23.1 50.2 35.7 73 75 A I - 0 0 13 6,-0.3 2,-0.9 -2,-0.2 9,-0.1 -0.995 30.9-137.1-140.3 142.1 20.3 52.8 35.1 74 76 A Y + 0 0 28 -2,-0.3 5,-0.1 64,-0.2 68,-0.1 -0.847 54.3 128.6 -97.2 102.6 20.1 56.4 34.0 75 77 A H > - 0 0 2 -2,-0.9 3,-1.1 3,-0.5 48,-0.2 -0.982 61.2-126.6-157.5 141.7 17.5 58.0 36.3 76 78 A P T 3 S+ 0 0 0 0, 0.0 45,-2.5 0, 0.0 48,-0.2 0.683 107.3 43.3 -68.3 -18.3 17.5 61.1 38.5 77 79 A N T 3 S+ 0 0 7 43,-0.2 8,-2.4 32,-0.1 2,-0.4 0.218 102.2 71.3-112.6 13.2 16.5 59.4 41.7 78 80 A I B < S-E 84 0B 2 -3,-1.1 -3,-0.5 6,-0.2 6,-0.2 -0.993 78.0-139.3-127.9 120.8 18.7 56.3 41.5 79 81 A D > - 0 0 44 4,-2.4 3,-2.1 -2,-0.4 -6,-0.3 -0.064 31.1 -90.5 -76.5 179.2 22.5 56.9 42.1 80 82 A R T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 -7,-0.0 0.636 127.2 52.3 -65.5 -14.9 25.5 55.5 40.3 81 83 A L T 3 S- 0 0 108 2,-0.1 -1,-0.3 -9,-0.1 -2,-0.1 0.283 121.2-106.4-103.3 7.9 25.7 52.7 42.8 82 84 A G < + 0 0 6 -3,-2.1 -13,-2.4 1,-0.3 2,-0.3 0.615 67.9 150.8 79.2 13.5 22.0 51.7 42.3 83 85 A R - 0 0 139 -15,-0.2 -4,-2.4 1,-0.0 2,-0.4 -0.661 39.6-133.1 -83.1 139.3 20.8 53.1 45.6 84 86 A I B -E 78 0B 5 -17,-0.5 2,-1.1 -2,-0.3 -6,-0.2 -0.756 2.4-142.4 -98.5 127.5 17.2 54.4 45.6 85 87 A C + 0 0 40 -8,-2.4 2,-0.3 -2,-0.4 34,-0.1 -0.735 48.9 128.9 -94.2 95.8 16.1 57.7 47.0 86 88 A L > - 0 0 36 -2,-1.1 3,-0.8 1,-0.1 4,-0.2 -0.989 54.4-140.1-144.1 137.3 12.7 57.2 48.7 87 89 A D G > >S+ 0 0 98 -2,-0.3 5,-2.2 1,-0.2 3,-1.9 0.829 100.4 68.4 -68.1 -33.5 11.7 58.1 52.2 88 90 A V G 3 5S+ 0 0 29 1,-0.3 -1,-0.2 4,-0.2 6,-0.1 0.799 101.8 48.9 -57.9 -24.2 9.7 54.9 52.7 89 91 A L G < 5S+ 0 0 14 -3,-0.8 -1,-0.3 4,-0.1 -2,-0.2 0.519 125.1 25.7 -90.3 -8.4 13.2 53.1 52.6 90 92 A K T X 5S- 0 0 110 -3,-1.9 3,-0.9 -4,-0.2 -26,-0.1 0.416 132.2 -4.7-115.6-105.9 14.6 55.6 55.2 91 93 A T T 3 5S+ 0 0 117 1,-0.2 -3,-0.2 3,-0.0 -4,-0.1 0.702 125.6 57.0 -71.6 -25.7 12.8 57.6 57.8 92 94 A N T 3 - 0 0 46 -6,-0.1 3,-2.4 -31,-0.1 -32,-0.1 -0.960 51.9-103.9-161.4 155.0 7.6 51.0 59.8 95 97 A P T 3 S+ 0 0 59 0, 0.0 -33,-0.1 0, 0.0 -32,-0.0 0.568 113.7 73.2 -57.1 -13.0 6.6 47.4 60.6 96 98 A A T 3 S+ 0 0 89 -35,-0.1 2,-0.1 2,-0.1 -3,-0.0 0.767 88.9 76.2 -75.1 -23.2 3.2 48.2 59.3 97 99 A L S < S- 0 0 40 -3,-2.4 2,-0.3 -36,-0.2 3,-0.0 -0.403 70.4-148.5 -85.5 163.7 4.7 48.2 55.8 98 100 A Q >> - 0 0 82 -2,-0.1 4,-1.4 1,-0.1 3,-0.5 -0.860 30.5-105.5-129.1 165.3 5.7 45.1 53.7 99 101 A I H 3> S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.890 120.8 58.0 -52.6 -45.1 8.3 44.2 51.1 100 102 A R H 3> S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 100.6 57.4 -54.6 -40.9 5.6 44.3 48.5 101 103 A T H <> S+ 0 0 46 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.910 108.6 45.8 -56.6 -47.4 4.9 48.0 49.4 102 104 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.912 111.0 50.9 -65.7 -45.3 8.5 48.9 48.7 103 105 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.905 109.1 52.4 -62.3 -40.7 8.7 47.0 45.4 104 106 A L H X S+ 0 0 78 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.917 109.9 48.5 -60.1 -42.8 5.5 48.8 44.2 105 107 A S H X S+ 0 0 43 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.866 111.1 50.3 -65.3 -36.5 7.0 52.2 45.0 106 108 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.948 109.5 50.4 -67.8 -43.8 10.2 51.4 43.2 107 109 A Q H X S+ 0 0 45 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.897 111.2 49.1 -59.3 -41.2 8.3 50.3 40.1 108 110 A A H X S+ 0 0 58 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.879 105.2 58.3 -66.6 -38.6 6.3 53.5 40.2 109 111 A L H < S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 102.5 54.0 -59.6 -37.2 9.5 55.6 40.5 110 112 A L H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.9 45.2 -63.1 -38.7 10.8 54.1 37.2 111 113 A A H < S+ 0 0 58 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.711 123.4 34.1 -78.9 -20.7 7.6 55.2 35.6 112 114 A S S < S- 0 0 83 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.504 74.4-169.6-136.7 69.1 7.7 58.7 37.1 113 115 A P - 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