==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 08-AUG-00 1FJX . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.VILKAITIS,A.DONG,E.WEINHOLD,X.CHENG,S.KLIMASAUSKAS . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 1 0.3 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 . 34 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 0 0 1 1 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 65 0, 0.0 2,-0.3 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 175.0 -29.3 32.3 70.7 2 2 A I - 0 0 60 307,-0.1 2,-0.3 284,-0.0 28,-0.0 -0.861 360.0-101.5-125.6 159.5 -29.9 32.4 67.0 3 3 A E - 0 0 148 -2,-0.3 2,-0.6 28,-0.0 28,-0.1 -0.626 29.3-159.4 -82.4 140.7 -29.8 29.7 64.3 4 4 A I + 0 0 12 26,-0.3 3,-0.1 -2,-0.3 -1,-0.0 -0.919 12.4 178.2-120.6 101.7 -26.6 29.8 62.2 5 5 A K S S+ 0 0 169 -2,-0.6 2,-1.3 1,-0.2 -1,-0.1 0.818 72.4 61.6 -77.2 -30.7 -27.1 28.0 58.9 6 6 A D S S- 0 0 118 2,-0.0 2,-0.8 1,-0.0 -1,-0.2 -0.775 85.3-153.1 -95.7 87.1 -23.7 28.5 57.2 7 7 A K > - 0 0 92 -2,-1.3 3,-0.6 1,-0.2 24,-0.1 -0.534 17.0-176.6 -67.0 105.1 -21.8 26.7 59.9 8 8 A Q T 3 S+ 0 0 36 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.743 76.2 49.5 -78.2 -22.7 -18.3 28.2 60.0 9 9 A L T > S+ 0 0 0 22,-2.7 3,-1.7 19,-0.2 25,-0.2 0.271 70.3 135.2-105.4 21.6 -16.7 26.0 62.6 10 10 A T T < S+ 0 0 92 -3,-0.6 -1,-0.2 21,-0.5 -2,-0.1 0.667 74.0 31.0 -39.8 -49.0 -17.8 22.6 61.2 11 11 A G T 3 S+ 0 0 74 -3,-0.2 -1,-0.3 22,-0.1 2,-0.1 0.612 96.5 110.9 -94.9 -2.5 -14.6 20.5 61.4 12 12 A L < - 0 0 20 -3,-1.7 22,-2.3 61,-0.0 2,-0.3 -0.337 53.0-149.1 -78.2 145.6 -13.1 22.2 64.5 13 13 A R E -a 34 0A 94 20,-0.2 60,-2.2 -2,-0.1 61,-1.6 -0.850 20.2-177.6-107.9 146.8 -12.7 20.7 68.0 14 14 A F E -ab 35 74A 0 20,-2.7 22,-2.2 -2,-0.3 23,-0.6 -0.975 20.4-133.7-147.7 153.5 -12.8 23.0 71.1 15 15 A I E -ab 37 75A 0 59,-1.6 61,-2.2 -2,-0.3 2,-1.0 -0.909 13.4-139.9-110.9 142.9 -12.4 22.8 74.9 16 16 A D E > -ab 38 76A 0 21,-3.0 23,-2.6 -2,-0.4 3,-0.9 -0.770 23.7-173.7-102.1 84.9 -14.8 24.3 77.4 17 17 A L E 3 S+ b 0 77A 1 59,-2.3 61,-0.8 -2,-1.0 23,-0.1 -0.594 75.9 7.5 -78.9 144.2 -12.5 25.7 80.2 18 18 A F T 3 S- 0 0 2 -2,-0.2 -1,-0.3 59,-0.2 22,-0.2 0.886 84.9-173.7 51.0 43.0 -14.4 27.1 83.2 19 19 A A X + 0 0 0 20,-2.8 3,-2.8 -3,-0.9 4,-0.4 0.731 12.4 167.3 -37.0 -43.9 -17.5 25.7 81.5 20 20 A G T 3 S- 0 0 4 1,-0.3 -1,-0.2 19,-0.2 29,-0.2 -0.416 78.6 -13.0 58.8-120.8 -19.9 27.1 84.0 21 21 A L T 3 S- 0 0 2 308,-2.3 -1,-0.3 280,-0.3 -2,-0.1 0.537 101.2-108.2 -85.4 -12.6 -23.4 26.7 82.4 22 22 A G X> + 0 0 0 -3,-2.8 4,-2.1 -4,-0.2 3,-1.0 0.609 68.4 147.7 94.9 16.2 -21.8 25.8 79.1 23 23 A G H 3> S+ 0 0 0 -4,-0.4 4,-1.8 1,-0.3 5,-0.2 0.815 73.2 55.9 -53.2 -32.0 -22.6 29.0 77.2 24 24 A F H 3> S+ 0 0 1 -5,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.883 106.8 50.6 -70.7 -31.0 -19.4 28.7 75.3 25 25 A R H <> S+ 0 0 13 -3,-1.0 4,-2.7 -6,-0.2 5,-0.3 0.930 107.1 51.6 -72.1 -44.4 -20.4 25.3 74.2 26 26 A L H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.933 112.7 47.5 -56.4 -46.7 -23.9 26.3 73.0 27 27 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.974 115.9 39.6 -61.1 -59.6 -22.4 29.1 70.9 28 28 A L H ><>S+ 0 0 2 -4,-2.1 5,-1.8 1,-0.2 3,-1.1 0.891 114.4 55.9 -61.8 -37.1 -19.5 27.2 69.2 29 29 A E H ><5S+ 0 0 71 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.863 101.4 56.5 -63.3 -34.5 -21.8 24.2 68.7 30 30 A S H 3<5S+ 0 0 17 -4,-1.9 -26,-0.3 -3,-0.3 -1,-0.3 0.704 104.2 54.9 -70.0 -17.2 -24.3 26.2 66.9 31 31 A C T <<5S- 0 0 0 -3,-1.1 -22,-2.7 -4,-0.7 -21,-0.5 0.303 127.7 -98.6 -93.5 5.6 -21.5 27.2 64.5 32 32 A G T < 5S+ 0 0 21 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.249 78.4 135.6 100.0 -12.0 -20.8 23.5 63.8 33 33 A A < - 0 0 8 -5,-1.8 2,-0.4 -6,-0.1 -1,-0.2 -0.050 47.9-125.0 -67.4 171.4 -17.8 23.0 66.1 34 34 A E E -a 13 0A 115 -22,-2.3 -20,-2.7 -25,-0.2 2,-0.6 -0.977 7.5-139.8-125.5 130.1 -17.3 20.0 68.5 35 35 A C E +a 14 0A 11 -2,-0.4 -20,-0.2 -22,-0.2 3,-0.1 -0.762 24.5 169.0 -89.1 121.0 -16.6 19.9 72.2 36 36 A V E + 0 0 30 -22,-2.2 2,-0.3 -2,-0.6 -21,-0.2 0.358 64.9 15.4-113.4 7.9 -14.0 17.4 73.2 37 37 A Y E -a 15 0A 22 -23,-0.6 -21,-3.0 32,-0.1 2,-0.3 -0.904 56.5-165.4-176.4 143.3 -13.5 18.4 76.8 38 38 A S E -a 16 0A 4 -2,-0.3 20,-2.0 -23,-0.2 2,-0.4 -0.962 3.7-168.3-138.4 148.4 -15.0 20.5 79.5 39 39 A N B +f 58 0B 3 -23,-2.6 -20,-2.8 -2,-0.3 2,-0.3 -0.979 23.9 137.4-140.4 130.4 -13.6 21.8 82.8 40 40 A E - 0 0 0 18,-2.3 20,-0.1 -2,-0.4 -2,-0.0 -0.828 30.1-159.2-169.5 130.1 -15.5 23.3 85.7 41 41 A W + 0 0 129 -2,-0.3 2,-0.5 18,-0.2 19,-0.2 0.575 57.2 104.7 -96.2 -13.7 -15.1 22.7 89.4 42 42 A D >> - 0 0 35 1,-0.1 4,-3.0 17,-0.1 3,-0.6 -0.629 64.1-142.7 -73.7 120.8 -18.4 23.8 91.0 43 43 A K H 3> S+ 0 0 136 -2,-0.5 4,-1.2 1,-0.3 -1,-0.1 0.822 100.8 45.9 -50.7 -38.5 -20.5 20.8 92.0 44 44 A Y H 3> S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.833 111.8 50.6 -78.1 -29.8 -23.8 22.6 91.0 45 45 A A H <> S+ 0 0 2 -3,-0.6 4,-2.8 1,-0.2 3,-0.4 0.964 108.5 54.2 -70.5 -45.2 -22.4 23.8 87.7 46 46 A Q H X S+ 0 0 25 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.802 108.0 49.6 -55.1 -36.2 -21.2 20.3 87.0 47 47 A E H X S+ 0 0 71 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.3 0.844 111.9 46.1 -74.8 -36.3 -24.8 19.0 87.5 48 48 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.4 -2,-0.2 0.840 114.1 49.6 -73.6 -35.3 -26.4 21.6 85.2 49 49 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 6,-0.8 0.805 113.2 46.1 -72.3 -31.4 -23.7 20.9 82.6 50 50 A E H X S+ 0 0 94 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.894 110.9 54.0 -75.4 -37.3 -24.3 17.1 83.0 51 51 A M H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.816 121.1 30.2 -63.4 -36.1 -28.1 17.7 82.8 52 52 A N H < S+ 0 0 40 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.786 134.9 24.4 -97.5 -31.0 -27.8 19.6 79.6 53 53 A F H < S- 0 0 34 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.327 92.7-125.2-116.6 3.4 -24.7 18.0 77.8 54 54 A G S < S+ 0 0 62 -4,-1.8 2,-0.3 1,-0.2 -4,-0.2 0.538 79.3 101.9 65.1 6.4 -24.6 14.6 79.4 55 55 A E - 0 0 65 -6,-0.8 -2,-0.3 -9,-0.0 -1,-0.2 -0.909 64.1-143.4-120.2 151.1 -21.0 15.2 80.5 56 56 A K - 0 0 124 -2,-0.3 -18,-0.2 -6,-0.1 -9,-0.1 -0.954 29.8-124.0-113.1 122.3 -19.6 16.1 83.8 57 57 A P - 0 0 2 0, 0.0 -18,-0.3 0, 0.0 -40,-0.0 -0.281 28.4-101.8 -60.5 155.6 -16.6 18.5 83.5 58 58 A E B -f 39 0B 81 -20,-2.0 -18,-2.3 1,-0.1 3,-0.2 -0.332 46.1-105.7 -74.0 164.4 -13.3 17.6 85.0 59 59 A G S S- 0 0 30 1,-0.2 -18,-0.2 -20,-0.2 -1,-0.1 0.151 71.9 -4.2 -78.8-163.0 -12.4 19.3 88.3 60 60 A D > - 0 0 60 -19,-0.2 3,-1.8 1,-0.2 -1,-0.2 0.109 55.0-151.0 -28.4 104.7 -10.0 22.1 89.4 61 61 A I G > S+ 0 0 5 1,-0.3 3,-1.5 -3,-0.2 -1,-0.2 0.760 88.3 74.5 -53.1 -32.6 -8.0 23.1 86.4 62 62 A T G 3 S+ 0 0 59 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.830 103.6 36.4 -52.1 -37.3 -5.1 24.1 88.7 63 63 A Q G < S+ 0 0 170 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 -0.215 89.7 113.4-114.9 43.3 -4.2 20.4 89.3 64 64 A V S < S- 0 0 12 -3,-1.5 2,-0.5 -6,-0.0 5,-0.1 -0.952 73.2-121.6-118.0 111.7 -4.9 19.0 85.9 65 65 A N > - 0 0 90 -2,-0.6 3,-3.0 1,-0.2 4,-0.4 -0.361 21.8-146.2 -52.4 103.2 -1.9 17.7 84.0 66 66 A E G > S+ 0 0 43 -2,-0.5 3,-1.8 1,-0.3 -1,-0.2 0.761 95.1 66.6 -45.8 -34.5 -2.2 19.9 80.8 67 67 A K G 3 S+ 0 0 138 1,-0.3 -1,-0.3 43,-0.0 -2,-0.1 0.677 92.4 65.4 -62.1 -19.2 -0.8 17.1 78.6 68 68 A T G < S+ 0 0 84 -3,-3.0 -1,-0.3 2,-0.1 -2,-0.2 0.673 76.3 104.9 -74.3 -24.8 -4.1 15.3 79.5 69 69 A I S < S- 0 0 1 -3,-1.8 3,-0.1 -4,-0.4 -32,-0.1 -0.470 80.8-112.6 -66.5 125.0 -6.1 17.9 77.7 70 70 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.221 40.1 -86.1 -56.4 147.7 -7.4 16.5 74.4 71 71 A D + 0 0 102 -35,-0.0 2,-0.3 2,-0.0 41,-0.1 -0.263 61.9 171.2 -54.1 139.0 -6.1 17.9 71.1 72 72 A H - 0 0 9 39,-0.3 42,-0.2 -3,-0.1 -58,-0.2 -0.996 39.6-147.6-155.5 154.6 -8.2 20.9 70.2 73 73 A D S S+ 0 0 45 -60,-2.2 42,-2.7 -2,-0.3 2,-0.4 0.755 88.3 30.0 -95.5 -30.8 -8.4 23.8 67.7 74 74 A I E -bc 14 115A 1 -61,-1.6 -59,-1.6 40,-0.2 2,-0.5 -0.994 66.5-154.6-132.3 134.4 -10.0 26.5 69.8 75 75 A L E -bc 15 116A 0 40,-1.8 42,-3.1 -2,-0.4 2,-0.4 -0.957 13.0-162.2-109.3 127.7 -9.7 26.9 73.6 76 76 A C E +bc 16 117A 0 -61,-2.2 -59,-2.3 -2,-0.5 2,-0.3 -0.921 15.2 166.9-110.8 141.4 -12.6 28.7 75.2 77 77 A A E -bc 17 118A 0 40,-1.7 42,-1.6 -2,-0.4 2,-1.0 -0.823 25.1-174.0-158.3 115.0 -12.3 30.2 78.7 78 78 A G E - c 0 119A 0 -61,-0.8 42,-0.1 -2,-0.3 3,-0.1 -0.823 37.0-160.1-104.4 83.8 -14.6 32.6 80.5 79 79 A F - 0 0 6 -2,-1.0 -2,-0.1 40,-0.6 19,-0.0 -0.194 25.9 -76.3 -72.1 155.8 -12.2 32.9 83.4 80 80 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 -0.046 41.3-176.5 -43.1 153.6 -13.1 34.1 87.0 81 81 A C >> + 0 0 30 39,-0.1 3,-3.2 -3,-0.1 4,-2.1 0.442 52.1 104.1-136.4 -7.6 -13.5 37.9 87.3 82 82 A Q T 34 S+ 0 0 40 1,-0.3 8,-0.4 2,-0.2 3,-0.4 0.913 84.9 55.7 -45.3 -42.0 -14.2 38.6 90.9 83 83 A A T 34 S+ 0 0 1 14,-0.3 9,-1.9 1,-0.2 -1,-0.3 0.475 116.8 33.0 -72.7 -3.4 -10.6 39.8 91.1 84 84 A F T <4 S+ 0 0 2 -3,-3.2 -1,-0.2 7,-0.1 -2,-0.2 0.517 89.5 120.3-127.8 -10.6 -11.0 42.3 88.3 85 85 A S >< - 0 0 24 -4,-2.1 3,-2.5 -3,-0.4 7,-0.1 -0.278 64.9-135.0 -66.8 139.1 -14.6 43.5 88.7 86 86 A I T 3 S+ 0 0 138 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.756 108.6 60.6 -59.2 -21.2 -15.6 47.0 89.4 87 87 A S T 3 S+ 0 0 64 -5,-0.0 -1,-0.3 3,-0.0 2,-0.2 0.511 103.2 52.2 -90.1 -0.4 -17.9 45.4 91.9 88 88 A G S < S- 0 0 37 -3,-2.5 -5,-0.1 -6,-0.2 -6,-0.0 -0.478 99.4 -80.8-122.8-167.6 -15.2 43.8 94.1 89 89 A K - 0 0 173 -2,-0.2 -6,-0.1 1,-0.1 -7,-0.0 0.850 54.1-139.8 -62.4 -44.2 -12.0 44.4 96.0 90 90 A Q + 0 0 81 -8,-0.4 38,-0.2 2,-0.1 3,-0.1 0.731 46.3 150.7 88.4 33.4 -9.7 44.3 92.9 91 91 A K > - 0 0 113 1,-0.2 3,-2.3 2,-0.1 4,-0.2 0.506 32.6-172.7 -74.0 0.6 -6.6 42.4 94.0 92 92 A G G > + 0 0 0 -9,-1.9 3,-2.2 1,-0.3 -1,-0.2 -0.146 67.2 0.7 47.8-128.3 -6.2 41.2 90.4 93 93 A F G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -3,-0.1 5,-0.2 0.699 125.7 70.9 -63.2 -20.7 -3.5 38.6 90.0 94 94 A E G < S+ 0 0 164 -3,-2.3 2,-0.3 -11,-0.1 -1,-0.3 0.511 85.5 88.8 -74.7 -1.7 -2.8 38.9 93.8 95 95 A D S X> S- 0 0 22 -3,-2.2 3,-2.6 -4,-0.2 4,-0.5 -0.774 83.2-129.6 -97.3 144.5 -6.2 37.0 94.2 96 96 A S G >4 S+ 0 0 95 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.952 115.9 44.9 -52.5 -50.8 -6.4 33.2 94.4 97 97 A R G 34 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 -14,-0.3 0.279 103.5 70.7 -78.5 14.4 -9.1 33.4 91.8 98 98 A G G <4 S+ 0 0 2 -3,-2.6 3,-0.4 -5,-0.2 -1,-0.3 0.508 82.9 66.7-107.5 -6.5 -7.0 35.9 89.9 99 99 A T X< + 0 0 59 -3,-1.5 3,-1.8 -4,-0.5 4,-0.4 0.596 67.6 101.0 -92.2 -6.6 -4.3 33.5 88.7 100 100 A L T >> + 0 0 15 1,-0.3 4,-1.6 -4,-0.2 3,-1.5 0.741 70.0 67.7 -51.6 -27.7 -6.5 31.4 86.4 101 101 A F H 3> S+ 0 0 1 -3,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.920 94.7 56.8 -62.6 -36.6 -5.3 33.2 83.3 102 102 A F H <> S+ 0 0 73 -3,-1.8 4,-1.3 1,-0.3 -1,-0.3 0.622 102.9 55.2 -71.3 -7.6 -1.9 31.7 83.8 103 103 A D H <> S+ 0 0 17 -3,-1.5 4,-1.6 -4,-0.4 -1,-0.3 0.839 106.8 50.1 -87.7 -36.7 -3.5 28.3 83.7 104 104 A I H >X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 3,-1.2 0.994 110.8 50.0 -60.6 -56.2 -5.0 29.2 80.4 105 105 A A H 3X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.3 -1,-0.2 0.863 110.8 48.5 -49.8 -48.1 -1.6 30.2 79.1 106 106 A R H 3X S+ 0 0 41 -4,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.769 111.3 48.8 -69.1 -24.8 0.1 27.0 80.3 107 107 A I H - 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