==== 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 4L8A . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.A.MAJOREK,M.CHRUSZCZ,A.JOACHIMIAK,W.MINOR,MIDWEST CENTER F . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 71.1 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 . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 25.2 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 1 1 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 0 119 0, 0.0 2,-0.4 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 126.2 26.1 -29.6 -5.6 2 2 A Q - 0 0 77 2,-0.0 56,-0.5 0, 0.0 2,-0.3 -0.765 360.0-172.8-126.4 84.3 23.2 -31.4 -7.3 3 3 A L + 0 0 39 -2,-0.4 2,-0.3 54,-0.1 54,-0.2 -0.564 12.0 173.9 -89.2 142.5 20.8 -28.6 -8.2 4 4 A S E -A 56 0A 61 52,-2.2 52,-2.7 -2,-0.3 2,-0.3 -0.845 13.3-149.2-130.7 170.9 17.3 -28.9 -9.6 5 5 A H E +A 55 0A 97 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.966 18.8 160.0-141.8 157.8 14.6 -26.3 -10.3 6 6 A R E -A 54 0A 74 48,-1.6 48,-2.8 -2,-0.3 3,-0.1 -0.962 50.2 -71.0-161.6 164.8 10.8 -26.0 -10.5 7 7 A P E -A 53 0A 94 0, 0.0 46,-0.3 0, 0.0 2,-0.1 -0.287 61.4 -97.6 -59.4 143.2 8.2 -23.3 -10.3 8 8 A A - 0 0 25 44,-2.3 2,-0.3 2,-0.0 44,-0.1 -0.395 42.4-159.6 -59.9 145.8 7.8 -21.8 -6.9 9 9 A E >> - 0 0 112 -3,-0.1 3,-1.9 -2,-0.1 4,-0.5 -0.835 31.9-104.6-126.2 162.5 4.9 -23.1 -4.8 10 10 A T G >4 S+ 0 0 121 1,-0.3 3,-1.5 -2,-0.3 4,-0.4 0.863 118.5 59.9 -55.9 -41.1 3.0 -21.8 -1.8 11 11 A G G 34 S+ 0 0 68 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.696 99.4 57.8 -64.6 -17.9 4.9 -24.1 0.5 12 12 A D G <> S+ 0 0 12 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.620 83.9 86.3 -82.3 -14.0 8.2 -22.5 -0.5 13 13 A L H S+ 0 0 145 -4,-0.4 4,-0.8 -3,-0.2 -1,-0.2 0.916 113.9 46.1 -62.8 -40.6 8.1 -19.1 4.2 15 15 A T H >4 S+ 0 0 69 -4,-0.4 3,-1.0 2,-0.2 4,-0.2 0.953 114.8 45.7 -65.5 -51.0 11.6 -20.4 3.3 16 16 A V H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.904 107.3 57.3 -62.6 -40.3 12.2 -17.9 0.5 17 17 A A H 3< S+ 0 0 13 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.730 101.4 60.7 -63.3 -20.6 10.9 -15.0 2.6 18 18 A G T << S+ 0 0 39 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.494 82.9 85.2 -77.1 -7.3 13.6 -15.9 5.1 19 19 A F < + 0 0 8 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.918 67.0 78.5 -70.0 -47.7 16.4 -15.4 2.7 20 20 A P - 0 0 11 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.496 60.7-168.2 -68.1 128.4 17.1 -11.6 3.1 21 21 A Q + 0 0 104 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.578 61.1 3.1 -94.0 -15.0 19.1 -11.1 6.3 22 22 A D S > S- 0 0 65 1,-0.0 4,-2.3 14,-0.0 5,-0.2 -0.955 85.6 -85.1-160.6 173.6 18.9 -7.4 6.7 23 23 A R H > S+ 0 0 160 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.835 122.6 55.6 -58.6 -36.6 17.4 -4.3 5.2 24 24 A D H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 107.7 47.4 -60.7 -50.7 20.3 -3.9 2.7 25 25 A E H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.888 112.9 49.5 -60.8 -41.8 19.8 -7.4 1.3 26 26 A L H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 7,-0.2 0.938 110.7 50.2 -61.5 -46.5 16.0 -6.8 1.0 27 27 A F H < S+ 0 0 24 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 109.0 52.8 -58.3 -42.2 16.6 -3.5 -0.7 28 28 A Y H < S+ 0 0 57 -4,-2.5 90,-0.2 1,-0.2 -1,-0.2 0.900 119.8 30.7 -59.9 -42.7 19.0 -5.1 -3.2 29 29 A C H < S+ 0 0 22 -4,-1.7 51,-0.8 1,-0.2 -1,-0.2 0.594 139.4 15.3 -96.3 -11.5 16.8 -7.9 -4.3 30 30 A Y >< + 0 0 17 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 -0.488 64.2 177.1-162.1 68.0 13.3 -6.2 -3.9 31 31 A P T 3 S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.730 79.7 57.3 -64.0 -19.9 13.7 -2.4 -3.5 32 32 A K T 3 S+ 0 0 113 2,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 0.626 89.6 96.3 -82.1 -10.4 10.0 -1.7 -3.4 33 33 A A S < S- 0 0 15 -3,-1.9 2,-0.4 -7,-0.2 4,-0.1 -0.264 70.0-132.8 -73.0 163.8 9.5 -4.1 -0.4 34 34 A I - 0 0 126 2,-0.2 7,-0.1 4,-0.0 -2,-0.1 -0.950 35.4 -83.2-119.9 136.1 9.5 -2.8 3.2 35 35 A W S S+ 0 0 81 -2,-0.4 2,-0.1 2,-0.1 -12,-0.0 -0.663 107.8 51.9 -77.9 137.3 11.5 -4.4 6.0 36 36 A P S S- 0 0 92 0, 0.0 -2,-0.2 0, 0.0 -1,-0.0 0.449 89.1-140.0 -79.1 148.3 10.6 -6.7 7.6 37 37 A F - 0 0 26 -17,-0.2 2,-0.3 -20,-0.1 -2,-0.1 -0.244 24.2-174.2 -66.1 161.6 10.0 -8.9 4.7 38 38 A S > - 0 0 44 1,-0.1 4,-2.1 -4,-0.0 5,-0.2 -0.987 40.9-108.7-154.2 159.8 6.9 -11.2 4.8 39 39 A V H > S+ 0 0 44 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.877 117.5 58.3 -61.8 -35.6 5.3 -13.9 2.9 40 40 A A H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 107.2 47.8 -62.4 -41.8 2.5 -11.5 1.9 41 41 A Q H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 113.6 47.7 -63.9 -40.3 5.0 -9.2 0.2 42 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 111.3 49.5 -65.4 -45.2 6.7 -12.1 -1.6 43 43 A A H X S+ 0 0 39 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.882 107.6 55.2 -63.5 -34.7 3.3 -13.5 -2.8 44 44 A A H X S+ 0 0 51 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.916 109.0 48.3 -64.8 -41.0 2.4 -10.1 -4.1 45 45 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 3,-0.4 0.943 110.7 50.3 -61.4 -47.4 5.6 -10.0 -6.1 46 46 A I H >< S+ 0 0 46 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.916 109.4 51.4 -57.6 -42.1 5.0 -13.4 -7.5 47 47 A A H 3< S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 114.1 43.7 -65.3 -35.5 1.4 -12.5 -8.5 48 48 A E H 3< S+ 0 0 138 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.564 115.4 52.6 -79.9 -19.0 2.7 -9.4 -10.4 49 49 A R S << S- 0 0 32 -4,-1.2 2,-0.3 -3,-0.7 19,-0.1 -0.280 74.7-120.6-111.6-173.2 5.6 -11.1 -12.1 50 50 A R E S+ B 0 67A 109 17,-1.3 17,-3.1 -2,-0.1 19,-0.1 -0.967 75.4 23.4-131.8 154.3 6.4 -14.1 -14.2 51 51 A G E - 0 0 24 -2,-0.3 2,-0.3 15,-0.2 14,-0.1 0.761 61.7-175.9 73.7 28.0 8.5 -17.1 -14.0 52 52 A S E + 0 0 15 -6,-0.2 -44,-2.3 14,-0.1 2,-0.3 -0.450 16.1 175.5 -65.6 121.8 9.0 -17.5 -10.3 53 53 A T E -AB 7 65A 9 12,-2.6 12,-1.8 -2,-0.3 2,-0.3 -0.949 22.2-149.9-136.2 140.3 11.4 -20.4 -9.9 54 54 A V E -AB 6 64A 0 -48,-2.8 -48,-1.6 -2,-0.3 2,-0.4 -0.865 8.9-142.6-110.6 150.4 13.2 -22.1 -7.1 55 55 A A E -AB 5 63A 0 8,-2.1 7,-2.9 -2,-0.3 8,-1.3 -0.938 21.3-164.0-106.4 135.5 16.5 -24.0 -7.0 56 56 A V E +AB 4 61A 22 -52,-2.7 -52,-2.2 -2,-0.4 2,-0.3 -0.943 14.5 174.0-125.9 138.8 16.7 -27.1 -4.8 57 57 A H E > S- B 0 60A 49 3,-2.2 3,-1.8 -2,-0.4 -54,-0.1 -0.972 74.1 -8.2-143.4 134.1 19.7 -29.1 -3.5 58 58 A D T 3 S- 0 0 133 -56,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.892 130.3 -53.2 49.1 41.2 19.5 -32.0 -1.1 59 59 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.539 114.4 114.8 76.6 9.2 15.8 -31.4 -0.5 60 60 A Q E < -B 57 0A 119 -3,-1.8 -3,-2.2 0, 0.0 2,-0.6 -0.934 67.7-128.6-119.0 133.3 16.3 -27.7 0.4 61 61 A V E +B 56 0A 20 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.685 38.5 163.9 -72.8 116.5 15.0 -24.7 -1.4 62 62 A L E + 0 0 23 -7,-2.9 22,-2.5 -2,-0.6 2,-0.3 0.558 52.7 29.5-115.9 -16.3 18.2 -22.6 -1.7 63 63 A G E -BC 55 83A 0 -8,-1.3 -8,-2.1 20,-0.2 2,-0.3 -0.991 52.2-171.3-148.6 158.4 17.4 -20.0 -4.4 64 64 A F E +BC 54 82A 0 18,-2.3 18,-2.4 -2,-0.3 2,-0.3 -0.991 12.9 157.6-147.3 142.2 14.6 -18.0 -5.9 65 65 A A E +B 53 0A 0 -12,-1.8 -12,-2.6 -2,-0.3 2,-0.3 -0.974 6.8 175.4-154.7 165.9 14.2 -15.7 -9.0 66 66 A N E - C 0 79A 0 13,-2.2 13,-3.2 -2,-0.3 2,-0.6 -0.880 40.1 -81.9-152.7-175.4 11.6 -14.3 -11.3 67 67 A F E -BC 50 78A 0 -17,-3.1 -17,-1.3 -2,-0.3 11,-0.3 -0.909 23.0-169.7-101.9 122.9 11.2 -11.9 -14.2 68 68 A Y E S+ 0 0 130 9,-2.5 2,-0.3 -2,-0.6 10,-0.2 0.814 82.1 9.5 -65.9 -41.1 10.9 -8.3 -13.3 69 69 A Q E - C 0 77A 76 8,-1.2 8,-2.4 45,-0.1 2,-0.3 -0.958 65.2-170.4-140.6 150.1 9.9 -7.5 -17.0 70 70 A W E + C 0 76A 66 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.977 6.2 176.1-150.5 130.3 9.1 -9.7 -20.0 71 71 A Q E >> - C 0 75A 104 4,-2.1 3,-2.4 -2,-0.3 4,-1.1 -0.885 34.2-121.5-140.8 106.8 8.6 -8.6 -23.6 72 72 A H T 34 S+ 0 0 131 -2,-0.3 37,-0.2 1,-0.3 36,-0.1 -0.166 94.4 6.1 -57.0 131.3 8.0 -11.3 -26.1 73 73 A G T 34 S+ 0 0 28 35,-3.3 -1,-0.3 1,-0.1 36,-0.1 0.457 131.2 57.9 78.2 3.1 10.6 -11.4 -28.9 74 74 A D T <4 S- 0 0 87 -3,-2.4 37,-2.1 34,-0.4 38,-0.9 0.629 101.5 -43.5-129.4 -81.1 12.7 -8.8 -27.2 75 75 A F E < -Cd 71 112A 23 -4,-1.1 -4,-2.1 35,-0.2 2,-0.3 -0.983 30.0-142.8-154.1 163.3 14.0 -9.1 -23.6 76 76 A C E -Cd 70 113A 0 36,-1.6 38,-2.8 -2,-0.3 2,-0.5 -0.930 16.9-143.2-123.1 157.0 13.3 -10.2 -20.0 77 77 A A E -Cd 69 114A 6 -8,-2.4 -9,-2.5 -2,-0.3 -8,-1.2 -0.990 19.9-129.5-118.4 127.7 14.6 -8.5 -16.9 78 78 A L E +C 67 0A 14 36,-2.4 38,-0.4 -2,-0.5 2,-0.3 -0.511 32.7 177.6 -75.1 140.7 15.6 -10.7 -14.0 79 79 A G E +C 66 0A 11 -13,-3.2 -13,-2.2 -2,-0.2 3,-0.2 -0.920 46.5 21.0-139.5 166.1 14.2 -9.9 -10.5 80 80 A N E + 0 0 5 -51,-0.8 2,-0.7 -2,-0.3 -1,-0.1 0.775 64.4 179.8 53.3 37.7 14.1 -11.0 -6.9 81 81 A M E + 0 0 26 -16,-0.1 2,-0.4 -52,-0.1 -16,-0.2 -0.589 12.6 164.2 -75.0 112.9 17.3 -13.0 -7.1 82 82 A M E -C 64 0A 9 -18,-2.4 -18,-2.3 -2,-0.7 2,-0.4 -0.994 21.7-166.3-139.3 141.7 17.8 -14.4 -3.6 83 83 A V E -C 63 0A 17 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.974 34.2-101.4-130.1 139.8 19.8 -17.2 -2.1 84 84 A A > - 0 0 12 -22,-2.5 3,-1.7 -2,-0.4 4,-0.2 -0.293 34.2-124.8 -54.1 133.2 19.7 -18.9 1.3 85 85 A P G > S+ 0 0 53 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.847 108.4 53.0 -57.0 -36.9 22.4 -17.4 3.6 86 86 A A G 3 S+ 0 0 102 1,-0.3 -2,-0.1 3,-0.0 -24,-0.0 0.688 110.4 49.4 -71.0 -14.5 23.9 -20.9 4.4 87 87 A A G X S+ 0 0 5 -3,-1.7 3,-1.0 -25,-0.1 5,-0.5 0.181 79.8 133.0-114.9 19.8 24.2 -21.6 0.7 88 88 A R T < + 0 0 97 -3,-1.2 -4,-0.0 1,-0.2 -26,-0.0 -0.335 69.5 19.5 -73.7 144.7 25.9 -18.4 -0.5 89 89 A G T 3 S+ 0 0 86 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.640 93.4 107.1 74.4 12.7 28.9 -18.7 -2.8 90 90 A L S < S- 0 0 89 -3,-1.0 -2,-0.1 0, 0.0 -1,-0.1 0.272 98.0 -95.6-103.7 3.8 28.0 -22.3 -3.9 91 91 A G S > S+ 0 0 31 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.530 85.8 125.9 94.0 6.7 26.8 -21.6 -7.4 92 92 A V H > S+ 0 0 3 -5,-0.5 4,-2.8 2,-0.2 5,-0.2 0.928 77.9 42.7 -64.3 -49.3 23.1 -21.4 -6.6 93 93 A A H > S+ 0 0 18 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.929 113.1 53.2 -66.5 -39.9 22.6 -18.0 -8.2 94 94 A R H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.932 112.2 46.1 -56.3 -45.3 24.8 -18.9 -11.2 95 95 A Y H X S+ 0 0 65 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.948 114.1 46.4 -59.3 -52.0 22.6 -22.0 -11.7 96 96 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.887 108.8 54.5 -67.0 -36.5 19.4 -20.2 -11.4 97 97 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.930 108.2 50.9 -61.6 -40.4 20.4 -17.4 -13.7 98 98 A G H X S+ 0 0 25 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.911 110.2 49.4 -60.3 -42.3 21.2 -20.0 -16.3 99 99 A V H X S+ 0 0 20 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.907 111.9 48.5 -58.0 -46.9 17.8 -21.5 -15.8 100 100 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.850 107.7 54.4 -66.9 -36.9 16.1 -18.1 -16.2 101 101 A E H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.913 110.2 47.4 -60.8 -45.0 18.1 -17.3 -19.3 102 102 A N H X S+ 0 0 68 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.898 111.8 50.1 -60.6 -43.6 16.8 -20.6 -20.9 103 103 A L H X>S+ 0 0 40 -4,-2.3 4,-2.6 1,-0.2 5,-0.9 0.910 109.3 51.2 -62.7 -42.5 13.3 -19.7 -19.8 104 104 A A H X5S+ 0 0 0 -4,-2.5 6,-2.2 1,-0.2 4,-1.0 0.942 114.8 43.9 -58.5 -47.6 13.6 -16.2 -21.3 105 105 A R H X5S+ 0 0 70 -4,-2.2 4,-0.7 4,-0.3 -2,-0.2 0.921 121.3 38.4 -61.2 -47.3 14.8 -17.7 -24.6 106 106 A E H <5S+ 0 0 124 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.939 127.1 28.6 -76.6 -51.3 12.2 -20.5 -24.7 107 107 A Q H <5S+ 0 0 102 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.846 135.4 25.9 -80.9 -39.1 9.0 -18.9 -23.3 108 108 A Y H < - 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