==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUN-13 4L89 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.A.MAJOREK,M.CHRUSZCZ,E.MACLEAN,A.JOACHIMIAK,W.MINOR,MIDWES . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 26.4 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 2 1 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 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 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 1 A M 0 0 113 0, 0.0 2,-0.8 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 126.9 2.5 29.8 14.4 2 2 A Q - 0 0 80 2,-0.0 56,-0.5 0, 0.0 2,-0.3 -0.837 360.0-175.9-106.4 93.6 5.3 31.6 12.7 3 3 A L + 0 0 36 -2,-0.8 2,-0.3 54,-0.1 54,-0.2 -0.656 11.5 176.4 -94.9 145.0 7.8 28.8 12.0 4 4 A S E -A 56 0A 61 52,-2.3 52,-2.7 -2,-0.3 2,-0.3 -0.837 12.2-151.0-127.3 169.5 11.3 29.1 10.5 5 5 A H E +A 55 0A 95 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.968 18.2 161.2-141.7 163.5 14.0 26.5 9.9 6 6 A R E -A 54 0A 72 48,-1.6 48,-2.9 -2,-0.3 3,-0.1 -0.950 49.7 -67.0-163.6 165.7 17.7 26.2 9.8 7 7 A P E -A 53 0A 95 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.312 61.5 -98.5 -58.1 142.7 20.3 23.5 10.0 8 8 A A - 0 0 28 44,-2.4 2,-0.3 3,-0.0 44,-0.1 -0.379 41.6-160.8 -61.4 144.5 20.7 21.8 13.4 9 9 A E >> - 0 0 113 -3,-0.1 3,-1.7 1,-0.1 4,-0.6 -0.842 32.2-102.7-124.9 159.2 23.6 23.2 15.5 10 10 A T G >4 S+ 0 0 124 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.890 119.3 57.2 -50.1 -42.6 25.4 21.7 18.5 11 11 A G G 34 S+ 0 0 66 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.725 99.7 60.1 -69.3 -12.1 23.5 23.9 20.9 12 12 A D G <> S+ 0 0 11 -3,-1.7 4,-2.3 1,-0.2 3,-0.3 0.689 85.5 79.5 -80.5 -17.9 20.2 22.5 19.7 13 13 A L H S+ 0 0 94 -4,-0.4 4,-0.6 -3,-0.2 -1,-0.2 0.907 113.5 43.2 -58.4 -43.6 20.3 19.0 24.4 15 15 A T H >4 S+ 0 0 68 -4,-0.4 3,-1.1 -3,-0.3 -2,-0.2 0.932 115.1 48.2 -64.2 -50.6 16.8 20.3 23.6 16 16 A V H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.857 101.9 61.7 -63.5 -37.6 16.2 17.8 20.8 17 17 A A H 3< S+ 0 0 11 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.728 101.6 57.5 -63.9 -25.2 17.3 14.8 22.8 18 18 A G T << S+ 0 0 48 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.452 80.9 89.0 -77.8 -3.4 14.4 15.7 25.2 19 19 A F < + 0 0 8 -3,-2.2 2,-0.7 -4,-0.2 64,-0.2 0.851 69.8 74.4 -70.6 -39.7 11.8 15.5 22.5 20 20 A P - 0 0 9 0, 0.0 17,-0.2 0, 0.0 6,-0.1 -0.626 67.4-169.0 -71.3 117.9 11.0 11.7 22.9 21 21 A Q + 0 0 103 -2,-0.7 2,-0.3 2,-0.0 -2,-0.1 0.594 59.2 8.7 -91.5 -8.8 9.1 11.7 26.1 22 22 A D S > S- 0 0 63 1,-0.0 4,-2.2 14,-0.0 5,-0.2 -0.918 88.5 -85.9-155.1 172.4 8.9 8.0 26.9 23 23 A R H > S+ 0 0 160 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.812 122.9 57.4 -59.4 -28.3 10.4 4.7 25.7 24 24 A D H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 109.6 42.6 -65.2 -49.8 7.7 4.3 23.1 25 25 A E H > S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.875 113.2 53.7 -65.1 -38.3 8.5 7.6 21.4 26 26 A L H X S+ 0 0 5 -4,-2.2 4,-3.3 1,-0.2 3,-0.3 0.939 110.8 47.2 -57.7 -48.6 12.2 6.9 21.7 27 27 A F H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 104.7 59.3 -60.6 -40.6 11.7 3.5 19.9 28 28 A Y H < S+ 0 0 51 -4,-2.2 90,-0.2 1,-0.2 -1,-0.2 0.864 121.6 24.9 -62.6 -35.7 9.6 5.0 17.2 29 29 A C H < S+ 0 0 33 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.807 138.4 24.7 -95.4 -34.6 12.4 7.3 16.1 30 30 A Y >< + 0 0 16 -4,-3.3 3,-2.1 -5,-0.2 -1,-0.2 -0.720 64.4 177.6-135.7 77.5 15.5 5.4 17.4 31 31 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.733 84.3 43.6 -65.7 -18.9 14.6 1.7 17.6 32 32 A K T 3 S+ 0 0 189 2,-0.1 2,-0.1 -5,-0.1 -5,-0.1 0.317 89.8 112.3-105.0 7.3 18.1 0.8 18.7 33 33 A A < - 0 0 21 -3,-2.1 2,-0.4 -7,-0.2 4,-0.1 -0.408 63.4-128.6 -72.1 152.1 18.6 3.6 21.2 34 34 A I - 0 0 125 2,-0.2 7,-0.1 -2,-0.1 4,-0.1 -0.873 39.2 -81.3-101.0 137.2 18.9 2.9 24.9 35 35 A W S S+ 0 0 93 -2,-0.4 2,-0.1 1,-0.1 -12,-0.0 -0.695 109.6 47.4 -76.3 134.2 16.7 4.8 27.4 36 36 A P S S- 0 0 90 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.535 88.4-136.3 -79.5 149.4 17.4 7.6 28.4 37 37 A F - 0 0 24 -20,-0.2 2,-0.3 -17,-0.2 -2,-0.1 -0.282 28.1-171.3 -64.6 148.9 18.2 9.2 25.2 38 38 A S > - 0 0 44 1,-0.1 4,-2.2 -4,-0.1 5,-0.2 -0.957 39.0-107.1-144.1 159.2 21.2 11.4 25.3 39 39 A V H > S+ 0 0 61 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.879 118.1 56.9 -59.6 -37.3 23.1 13.9 23.2 40 40 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 109.5 45.9 -61.5 -39.9 25.8 11.3 22.5 41 41 A Q H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 113.8 48.2 -67.8 -38.4 23.2 8.9 21.1 42 42 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.937 111.5 50.1 -66.6 -44.9 21.6 11.7 19.1 43 43 A A H X S+ 0 0 42 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.881 107.7 53.9 -60.3 -39.8 24.9 12.9 17.7 44 44 A A H X S+ 0 0 59 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.920 110.8 46.5 -62.5 -42.2 25.8 9.3 16.7 45 45 A A H >< S+ 0 0 12 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.895 110.4 51.3 -63.5 -44.3 22.5 9.1 14.7 46 46 A I H >< S+ 0 0 39 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.835 102.3 62.3 -60.3 -38.0 23.0 12.5 13.1 47 47 A A H 3< S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.9 46.9 -60.9 -32.6 26.5 11.4 12.0 48 48 A E T << S+ 0 0 147 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.396 114.0 57.6 -85.3 1.4 24.9 8.6 10.0 49 49 A R < - 0 0 58 -3,-1.6 2,-0.3 -4,-0.2 19,-0.2 -0.585 68.9-133.0-130.6-179.4 22.3 10.9 8.4 50 50 A R E S+ B 0 67A 118 17,-1.8 17,-3.0 -2,-0.2 29,-0.1 -0.963 72.1 29.2-137.2 158.3 22.0 14.1 6.3 51 51 A G E - 0 0 29 -2,-0.3 2,-0.3 15,-0.2 14,-0.1 0.764 62.7-174.0 68.3 30.9 20.0 17.2 6.3 52 52 A S E + 0 0 19 -6,-0.1 -44,-2.4 14,-0.1 2,-0.4 -0.429 15.6 175.8 -64.6 120.7 19.5 17.6 10.1 53 53 A T E -AB 7 65A 8 12,-2.8 12,-2.1 -46,-0.3 2,-0.3 -0.957 22.1-149.9-135.7 141.7 17.1 20.6 10.4 54 54 A V E -AB 6 64A 0 -48,-2.9 -48,-1.6 -2,-0.4 2,-0.4 -0.852 8.8-142.9-114.1 147.3 15.3 22.3 13.2 55 55 A A E -AB 5 63A 0 8,-1.9 7,-2.9 -2,-0.3 8,-1.4 -0.938 22.3-162.9-104.7 136.4 12.0 24.2 13.2 56 56 A V E +AB 4 61A 22 -52,-2.7 -52,-2.3 -2,-0.4 2,-0.3 -0.957 14.7 173.7-128.1 138.9 11.9 27.3 15.4 57 57 A H E > S- B 0 60A 53 3,-2.1 3,-1.9 -2,-0.4 -54,-0.1 -0.985 72.6 -8.2-144.2 134.2 9.0 29.4 16.8 58 58 A D T 3 S- 0 0 137 -56,-0.5 3,-0.1 -2,-0.3 -55,-0.1 0.881 130.0 -52.8 46.2 45.5 9.2 32.2 19.2 59 59 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.568 114.7 112.9 74.0 10.8 12.8 31.6 19.9 60 60 A Q E < -B 57 0A 121 -3,-1.9 -3,-2.1 0, 0.0 2,-0.6 -0.929 68.7-126.7-123.2 136.4 12.4 27.9 20.7 61 61 A V E +B 56 0A 22 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.723 40.3 162.0 -75.7 116.9 13.6 24.8 18.9 62 62 A L E + 0 0 22 -7,-2.9 22,-2.5 -2,-0.6 2,-0.3 0.544 53.6 33.1-117.4 -16.8 10.3 22.8 18.5 63 63 A G E -BC 55 83A 0 -8,-1.4 -8,-1.9 20,-0.2 2,-0.3 -0.980 52.7-171.8-147.5 156.6 11.0 20.3 15.8 64 64 A F E +BC 54 82A 0 18,-2.1 18,-2.4 -2,-0.3 2,-0.3 -0.989 12.9 160.6-148.4 136.5 13.8 18.2 14.3 65 65 A A E +BC 53 81A 0 -12,-2.1 -12,-2.8 -2,-0.3 2,-0.3 -0.985 4.3 169.0-153.1 159.7 14.1 16.1 11.2 66 66 A N E - 0 0 0 14,-1.6 13,-3.4 -2,-0.3 2,-0.5 -0.928 36.8 -91.0-154.7 178.0 16.7 14.5 8.9 67 67 A F E -BC 50 78A 0 -17,-3.0 -17,-1.8 11,-0.3 11,-0.2 -0.905 17.5-170.4-102.0 135.1 17.2 12.0 6.0 68 68 A Y E S+ 0 0 127 9,-2.6 2,-0.3 -2,-0.5 10,-0.2 0.749 81.9 16.7 -86.8 -36.9 17.9 8.3 6.7 69 69 A Q E - C 0 77A 73 8,-1.3 8,-2.4 45,-0.1 2,-0.3 -0.973 62.0-176.2-136.9 154.5 18.6 7.7 2.9 70 70 A W E + C 0 76A 70 -2,-0.3 2,-0.4 6,-0.3 6,-0.2 -0.963 3.9 176.9-156.4 125.0 19.3 10.0 -0.0 71 71 A Q E >> - C 0 75A 110 4,-2.1 3,-2.3 -2,-0.3 4,-1.0 -0.915 34.9-122.7-137.4 105.9 19.8 8.9 -3.7 72 72 A H T 34 S+ 0 0 132 -2,-0.4 37,-0.2 1,-0.3 36,-0.1 -0.194 93.2 7.0 -58.3 134.6 20.3 11.7 -6.1 73 73 A G T 34 S+ 0 0 35 35,-3.3 -1,-0.3 1,-0.2 36,-0.1 0.282 131.3 55.6 80.2 -7.3 17.7 11.8 -8.8 74 74 A D T <4 S- 0 0 88 -3,-2.3 37,-2.3 34,-0.3 38,-0.8 0.726 103.6 -42.4-128.4 -78.2 15.7 9.1 -7.3 75 75 A F E < -Cd 71 112A 25 -4,-1.0 -4,-2.1 35,-0.2 2,-0.3 -0.988 29.9-142.7-154.8 166.2 14.5 9.4 -3.6 76 76 A C E -Cd 70 113A 0 36,-1.9 38,-2.6 -2,-0.3 2,-0.5 -0.920 18.2-141.8-124.8 156.2 15.2 10.4 -0.0 77 77 A A E -Cd 69 114A 6 -8,-2.4 -9,-2.6 -2,-0.3 -8,-1.3 -0.993 21.3-124.6-116.1 125.4 13.9 8.6 3.1 78 78 A L E -C 67 0A 9 36,-2.7 -11,-0.3 -2,-0.5 38,-0.3 -0.472 31.3-177.7 -65.3 137.3 12.8 10.7 6.0 79 79 A G E + 0 0 20 -13,-3.4 37,-0.2 1,-0.4 -1,-0.1 0.491 54.2 12.2-102.9-113.8 14.7 9.7 9.1 80 80 A N E + 0 0 3 -13,-0.0 -14,-1.6 2,-0.0 -1,-0.4 -0.393 55.4 175.2 -72.5 148.7 14.0 11.3 12.4 81 81 A M E +C 65 0A 19 -16,-0.2 2,-0.3 -3,-0.1 -16,-0.2 -0.790 16.6 159.9-154.7 98.9 10.9 13.5 12.8 82 82 A M E -C 64 0A 10 -18,-2.4 -18,-2.1 -2,-0.2 2,-0.4 -0.962 21.2-163.0-136.6 142.7 10.4 14.8 16.4 83 83 A V E -C 63 0A 15 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.956 34.9 -97.7-126.0 141.5 8.4 17.6 18.0 84 84 A A > - 0 0 12 -22,-2.5 3,-2.2 -2,-0.4 4,-0.1 -0.359 34.1-124.0 -55.7 137.3 8.8 19.1 21.5 85 85 A P G > S+ 0 0 51 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.803 110.1 52.8 -60.9 -31.4 6.2 17.6 23.9 86 86 A A G 3 S+ 0 0 107 1,-0.2 -2,-0.1 0, 0.0 -24,-0.0 0.524 111.3 47.9 -78.9 -3.8 4.8 21.1 24.8 87 87 A A G X S+ 0 0 6 -3,-2.2 3,-0.8 -25,-0.1 5,-0.4 0.119 78.0 129.4-127.5 23.8 4.3 22.0 21.1 88 88 A R T < + 0 0 88 -3,-0.8 -4,-0.0 1,-0.2 -26,-0.0 -0.406 66.0 29.2 -78.4 148.9 2.5 18.9 19.5 89 89 A G T 3 S+ 0 0 78 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.569 91.0 102.5 85.0 6.7 -0.6 19.2 17.5 90 90 A L S < S- 0 0 86 -3,-0.8 -2,-0.1 0, 0.0 -1,-0.1 0.270 100.6 -96.2-109.6 7.5 0.3 22.7 16.2 91 91 A G S > S+ 0 0 11 3,-0.0 4,-2.4 -4,-0.0 5,-0.2 0.558 83.7 129.0 92.3 8.9 1.5 21.9 12.8 92 92 A V H > S+ 0 0 3 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.950 78.4 42.0 -66.1 -41.2 5.3 21.7 13.5 93 93 A A H > S+ 0 0 18 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.924 112.4 53.6 -72.5 -43.0 5.7 18.3 11.9 94 94 A R H > S+ 0 0 150 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 113.0 46.4 -49.7 -47.9 3.5 19.2 8.9 95 95 A Y H X S+ 0 0 68 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.964 114.5 44.9 -60.1 -52.2 5.8 22.3 8.5 96 96 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.877 109.2 54.8 -70.8 -33.6 9.1 20.4 8.8 97 97 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.938 108.1 51.4 -61.1 -41.6 8.0 17.5 6.5 98 98 A G H X S+ 0 0 24 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.915 110.1 49.2 -57.7 -42.9 7.2 20.2 3.9 99 99 A V H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.949 111.3 48.2 -60.4 -46.0 10.7 21.6 4.4 100 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.854 109.7 53.3 -68.2 -34.2 12.3 18.2 4.1 101 101 A E H X S+ 0 0 17 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.946 110.9 47.1 -66.2 -42.8 10.3 17.5 0.9 102 102 A N H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.886 112.6 49.0 -61.1 -43.1 11.6 20.8 -0.5 103 103 A L H X>S+ 0 0 54 -4,-2.5 4,-2.8 2,-0.2 5,-0.9 0.871 108.9 53.4 -64.4 -38.5 15.1 19.9 0.5 104 104 A A H X5S+ 0 0 0 -4,-2.6 6,-2.2 -5,-0.2 4,-1.1 0.936 113.6 42.8 -58.1 -48.1 14.7 16.5 -1.1 105 105 A R H X5S+ 0 0 70 -4,-2.2 4,-0.8 4,-0.2 -2,-0.2 0.890 122.6 38.5 -59.3 -42.8 13.6 18.1 -4.4 106 106 A E H <5S+ 0 0 143 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.934 124.9 30.4 -85.9 -47.7 16.2 20.8 -4.3 107 107 A Q H <5S+ 0 0 51 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.780 137.0 22.5 -85.6 -30.2 19.4 19.3 -2.9 108 108 A Y H < - 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