==== 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 12-MAY-13 4KOY . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.A.MAJOREK,P.J.POREBSKI,M.CHRUSZCZ,M.CYMBOROWSKI,A.JOACHIMI . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 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 . 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 0 110 0, 0.0 2,-0.2 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 78.8 -2.0 29.2 -14.0 2 2 A Q - 0 0 82 1,-0.0 2,-0.3 0, 0.0 56,-0.2 -0.463 360.0-177.9 -72.5 134.4 -4.9 30.8 -12.1 3 3 A L - 0 0 35 -2,-0.2 2,-0.3 54,-0.1 54,-0.2 -0.964 13.6-177.2-134.7 147.5 -7.8 28.5 -11.5 4 4 A S E -A 56 0A 62 52,-2.1 52,-2.9 -2,-0.3 2,-0.3 -0.832 13.4-147.2-130.9 173.2 -11.3 28.8 -9.9 5 5 A H E +A 55 0A 98 -2,-0.3 50,-0.2 50,-0.2 48,-0.0 -0.966 18.6 163.1-143.0 161.6 -14.0 26.3 -9.3 6 6 A R E -A 54 0A 73 48,-1.7 48,-2.8 -2,-0.3 3,-0.1 -0.957 49.6 -71.0-163.7 163.0 -17.8 26.0 -9.2 7 7 A P E -A 53 0A 95 0, 0.0 46,-0.3 0, 0.0 45,-0.1 -0.328 61.4 -98.3 -59.0 146.4 -20.4 23.2 -9.3 8 8 A A - 0 0 28 44,-2.3 2,-0.3 1,-0.0 44,-0.1 -0.358 42.7-159.2 -66.0 146.9 -20.9 21.7 -12.7 9 9 A E >> - 0 0 112 -3,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.835 32.0-104.7-126.6 158.1 -23.8 23.0 -14.8 10 10 A T G >4 S+ 0 0 119 -2,-0.3 3,-1.7 1,-0.3 4,-0.4 0.898 119.4 59.4 -48.3 -42.6 -25.8 21.6 -17.7 11 11 A G G 34 S+ 0 0 66 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.675 99.5 57.2 -65.4 -21.8 -24.0 24.0 -20.0 12 12 A D G <> S+ 0 0 13 -3,-2.0 4,-2.5 1,-0.1 -1,-0.3 0.584 83.6 86.4 -76.0 -18.1 -20.6 22.4 -19.0 13 13 A L H S+ 0 0 145 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.932 113.8 47.5 -63.0 -38.8 -20.7 19.0 -23.7 15 15 A T H >4 S+ 0 0 70 -4,-0.4 3,-0.9 2,-0.2 -2,-0.2 0.947 114.7 44.4 -63.3 -55.0 -17.3 20.5 -22.9 16 16 A V H >< S+ 0 0 1 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.915 107.3 57.8 -61.0 -37.7 -16.5 17.9 -20.2 17 17 A A H 3< S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.745 100.1 62.6 -68.0 -14.7 -17.7 15.0 -22.3 18 18 A G T << S+ 0 0 41 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.453 83.9 83.6 -76.2 -12.9 -15.1 16.2 -24.9 19 19 A F < + 0 0 7 -3,-2.4 2,-0.3 -4,-0.2 -1,-0.2 0.936 66.9 78.3 -68.6 -49.2 -12.2 15.5 -22.4 20 20 A P - 0 0 11 0, 0.0 17,-0.2 0, 0.0 3,-0.1 -0.485 58.8-170.0 -66.6 129.0 -11.5 11.8 -22.8 21 21 A Q + 0 0 98 -2,-0.3 2,-0.3 1,-0.1 -2,-0.0 0.552 61.7 6.0 -99.9 -9.0 -9.5 11.3 -26.0 22 22 A D S > S- 0 0 66 1,-0.1 4,-2.4 14,-0.0 5,-0.2 -0.967 84.2 -88.2-163.3 170.3 -9.6 7.6 -26.3 23 23 A R H > S+ 0 0 156 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.834 123.0 54.4 -59.0 -34.4 -11.1 4.4 -24.8 24 24 A D H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 108.2 47.0 -64.7 -51.8 -8.2 4.1 -22.4 25 25 A E H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.918 113.4 49.3 -59.1 -40.7 -8.7 7.6 -21.0 26 26 A L H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.930 110.8 50.6 -63.4 -44.6 -12.4 7.0 -20.7 27 27 A F H < S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 107.0 54.3 -58.1 -42.5 -11.8 3.7 -18.9 28 28 A Y H < S+ 0 0 60 -4,-2.6 90,-0.3 1,-0.2 -1,-0.2 0.837 120.3 29.9 -64.0 -34.5 -9.4 5.3 -16.4 29 29 A C H < S+ 0 0 19 -4,-1.4 51,-0.9 -3,-0.3 -1,-0.2 0.570 139.0 14.5-103.6 -9.8 -11.9 7.9 -15.3 30 30 A Y >< + 0 0 12 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 -0.449 62.4 176.9-162.8 70.5 -15.2 6.2 -15.8 31 31 A P T 3 S+ 0 0 62 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.729 80.2 59.1 -63.2 -22.5 -14.9 2.5 -16.2 32 32 A K T 3 S+ 0 0 165 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.702 89.1 97.4 -76.5 -18.6 -18.7 1.8 -16.4 33 33 A A < - 0 0 14 -3,-1.7 2,-0.4 -7,-0.2 4,-0.1 -0.238 68.9-136.5 -68.9 160.1 -18.9 4.2 -19.4 34 34 A I - 0 0 125 2,-0.2 7,-0.1 4,-0.0 -2,-0.1 -0.949 35.9 -82.9-118.4 131.2 -19.0 2.9 -23.0 35 35 A W S S+ 0 0 80 -2,-0.4 2,-0.1 2,-0.1 -12,-0.0 -0.658 108.3 53.2 -73.2 136.1 -17.0 4.5 -25.8 36 36 A P S S- 0 0 93 0, 0.0 -2,-0.2 0, 0.0 -13,-0.0 0.481 88.7-140.3 -79.6 146.4 -17.9 6.9 -27.4 37 37 A F - 0 0 28 -17,-0.2 2,-0.3 -20,-0.1 3,-0.1 -0.232 24.4-175.2 -67.7 161.4 -18.6 9.1 -24.4 38 38 A S > - 0 0 45 1,-0.1 4,-2.1 -3,-0.0 5,-0.2 -0.988 41.9-107.4-154.2 160.8 -21.6 11.3 -24.4 39 39 A V H > S+ 0 0 38 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.900 118.1 58.5 -61.0 -39.5 -23.4 14.0 -22.5 40 40 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 107.3 46.6 -59.7 -41.2 -26.1 11.4 -21.5 41 41 A Q H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 114.1 47.7 -68.6 -37.1 -23.5 9.2 -19.9 42 42 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.949 111.5 49.8 -68.4 -44.2 -21.9 12.1 -18.1 43 43 A A H X S+ 0 0 38 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.883 107.1 55.6 -63.7 -35.5 -25.3 13.4 -16.9 44 44 A A H X S+ 0 0 54 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.901 108.6 47.5 -65.5 -40.3 -26.2 9.9 -15.6 45 45 A A H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 3,-0.4 0.955 111.3 50.5 -64.8 -47.0 -23.0 9.8 -13.5 46 46 A I H >< S+ 0 0 48 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.925 107.4 54.4 -53.8 -43.7 -23.6 13.3 -12.1 47 47 A A H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 114.1 39.8 -66.8 -31.3 -27.2 12.4 -11.2 48 48 A E H 3< S+ 0 0 114 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.493 115.2 56.8 -99.7 6.0 -26.1 9.4 -9.2 49 49 A R S << S- 0 0 36 -3,-1.0 2,-0.3 -4,-0.9 19,-0.2 -0.408 73.4-124.8-119.8-172.0 -23.0 11.0 -7.6 50 50 A R E S+ B 0 67A 111 17,-1.8 17,-2.8 -2,-0.1 19,-0.1 -0.966 74.0 27.7-133.0 155.9 -22.2 14.0 -5.5 51 51 A G E - 0 0 25 -2,-0.3 2,-0.3 1,-0.2 14,-0.1 0.740 61.8-178.8 78.6 21.4 -20.0 17.0 -5.6 52 52 A S E + 0 0 16 -6,-0.2 -44,-2.3 15,-0.1 2,-0.3 -0.455 15.1 173.5 -67.6 122.2 -19.6 17.4 -9.4 53 53 A T E -AB 7 65A 11 12,-2.5 12,-1.7 -2,-0.3 2,-0.3 -0.963 23.5-149.7-137.5 141.3 -17.3 20.3 -9.8 54 54 A V E -AB 6 64A 0 -48,-2.8 -48,-1.7 -2,-0.3 2,-0.4 -0.875 10.3-140.6-111.1 149.8 -15.5 22.1 -12.6 55 55 A A E -AB 5 63A 0 8,-2.0 7,-2.8 -2,-0.3 8,-1.3 -0.915 22.5-161.7-105.0 135.5 -12.2 23.9 -12.6 56 56 A V E +AB 4 61A 21 -52,-2.9 -52,-2.1 -2,-0.4 2,-0.4 -0.945 15.0 177.4-123.2 138.0 -12.1 27.1 -14.7 57 57 A H E > S- B 0 60A 52 3,-2.5 3,-2.2 -2,-0.4 -54,-0.1 -0.984 73.7 -16.7-139.2 126.1 -9.2 29.1 -16.2 58 58 A D T 3 S- 0 0 134 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.868 129.6 -48.4 50.7 46.4 -9.5 32.2 -18.4 59 59 A G T 3 S+ 0 0 76 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.500 115.2 113.5 77.5 4.7 -13.1 31.4 -19.2 60 60 A Q E < -B 57 0A 94 -3,-2.2 -3,-2.5 2,-0.0 2,-0.6 -0.915 66.3-131.5-114.4 134.2 -12.5 27.7 -20.1 61 61 A V E +B 56 0A 21 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.726 36.7 164.8 -75.9 118.9 -13.7 24.7 -18.2 62 62 A L E + 0 0 10 -7,-2.8 22,-2.6 -2,-0.6 2,-0.3 0.523 52.5 29.4-115.2 -13.4 -10.5 22.6 -17.9 63 63 A G E -BC 55 83A 0 -8,-1.3 -8,-2.0 20,-0.2 2,-0.3 -0.987 51.5-173.1-151.7 158.4 -11.3 20.0 -15.3 64 64 A F E +BC 54 82A 2 18,-2.1 18,-2.4 -2,-0.3 2,-0.3 -0.987 12.7 156.3-149.6 143.7 -14.1 18.0 -13.7 65 65 A A E +B 53 0A 0 -12,-1.7 -12,-2.5 -2,-0.3 2,-0.3 -0.973 6.6 173.9-157.8 167.0 -14.4 15.6 -10.8 66 66 A N E - C 0 79A 0 13,-2.1 13,-2.9 -2,-0.3 2,-0.5 -0.871 34.9 -95.3-156.8-176.2 -17.0 14.2 -8.4 67 67 A F E -BC 50 78A 0 -17,-2.8 -17,-1.8 -2,-0.3 11,-0.2 -0.964 21.2-176.7-110.7 130.6 -17.5 11.7 -5.6 68 68 A Y E S+ 0 0 79 9,-2.0 2,-0.3 -2,-0.5 10,-0.1 0.584 81.5 34.0 -99.3 -10.1 -18.8 8.2 -6.3 69 69 A Q E + C 0 77A 83 8,-1.1 8,-2.5 45,-0.1 2,-0.3 -0.991 66.1 173.0-137.2 144.3 -18.8 7.2 -2.6 70 70 A W E + C 0 76A 62 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.967 5.3 177.2-152.4 128.6 -19.6 9.5 0.3 71 71 A Q E >> - C 0 75A 108 4,-2.2 3,-2.3 -2,-0.3 4,-1.2 -0.889 33.9-122.0-140.8 106.4 -19.9 8.5 3.9 72 72 A H T 34 S+ 0 0 132 -2,-0.4 37,-0.2 1,-0.3 36,-0.1 -0.182 94.9 8.7 -54.0 132.6 -20.5 11.3 6.4 73 73 A G T 34 S+ 0 0 28 35,-3.1 -1,-0.3 1,-0.1 36,-0.2 0.450 130.8 57.0 78.2 4.4 -17.9 11.5 9.1 74 74 A D T <4 S- 0 0 85 -3,-2.3 37,-2.1 34,-0.4 38,-1.1 0.625 101.4 -44.9-131.7 -84.0 -15.8 8.8 7.3 75 75 A F E < -Cd 71 112A 25 -4,-1.2 -4,-2.2 35,-0.2 2,-0.3 -0.989 30.0-140.7-153.5 165.9 -14.5 9.2 3.7 76 76 A C E -Cd 70 113A 0 36,-1.4 38,-2.8 -2,-0.3 2,-0.5 -0.928 17.3-139.6-127.8 155.3 -15.3 10.2 0.2 77 77 A A E -Cd 69 114A 0 -8,-2.5 -9,-2.0 -2,-0.3 -8,-1.1 -0.986 19.1-138.3-116.7 120.7 -14.1 8.4 -3.0 78 78 A L E +C 67 0A 5 36,-2.4 38,-0.5 -2,-0.5 2,-0.3 -0.660 32.3 161.4 -82.1 134.1 -13.1 10.7 -5.8 79 79 A G E +C 66 0A 10 -13,-2.9 -13,-2.1 -2,-0.3 3,-0.2 -0.818 42.4 41.9-142.6 178.8 -14.1 9.8 -9.4 80 80 A N E + 0 0 3 -51,-0.9 2,-0.8 -2,-0.3 -1,-0.1 0.820 62.9 178.4 50.6 42.5 -14.5 11.0 -12.9 81 81 A M E + 0 0 26 -53,-0.2 2,-0.4 -16,-0.1 -16,-0.2 -0.625 9.7 168.4 -78.2 109.4 -11.3 13.0 -12.8 82 82 A M E -C 64 0A 7 -18,-2.4 -18,-2.1 -2,-0.8 2,-0.4 -0.974 18.4-169.5-129.9 141.9 -11.1 14.5 -16.2 83 83 A V E -C 63 0A 19 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.978 33.7-102.2-132.6 140.2 -8.8 17.2 -17.7 84 84 A A > - 0 0 10 -22,-2.6 3,-1.8 -2,-0.4 -65,-0.1 -0.313 31.1-124.6 -59.8 139.6 -9.1 19.0 -21.0 85 85 A P G > S+ 0 0 61 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.777 109.5 53.6 -63.4 -24.5 -6.5 17.7 -23.5 86 86 A A G 3 S+ 0 0 102 1,-0.2 -2,-0.1 -24,-0.0 -24,-0.0 0.554 110.7 49.4 -83.4 -6.1 -5.0 21.1 -24.2 87 87 A A G X S+ 0 0 5 -3,-1.8 3,-0.9 -25,-0.1 5,-0.4 0.006 75.5 138.1-120.2 25.8 -4.4 21.6 -20.4 88 88 A R T < S+ 0 0 96 -3,-0.7 -4,-0.0 1,-0.2 0, 0.0 -0.490 71.5 14.1 -74.8 142.5 -2.7 18.3 -19.4 89 89 A G T 3 S+ 0 0 68 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.581 94.2 107.8 73.7 11.1 0.2 18.6 -16.9 90 90 A L S < S- 0 0 90 -3,-0.9 -2,-0.1 -89,-0.0 -1,-0.1 0.313 98.4 -92.5-105.5 10.4 -0.5 22.2 -16.0 91 91 A G S > S+ 0 0 19 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.496 87.8 124.1 96.4 5.0 -1.8 21.6 -12.4 92 92 A V H > S+ 0 0 3 -5,-0.4 4,-2.5 2,-0.2 5,-0.2 0.917 78.1 43.3 -67.1 -46.7 -5.5 21.3 -13.1 93 93 A A H > S+ 0 0 18 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.936 113.7 52.6 -65.4 -43.4 -6.0 17.9 -11.5 94 94 A R H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 112.3 46.3 -53.5 -46.8 -3.8 18.9 -8.6 95 95 A Y H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.953 114.3 45.6 -58.7 -53.0 -5.9 22.0 -8.1 96 96 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.892 108.9 55.4 -67.7 -38.6 -9.3 20.2 -8.4 97 97 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.911 107.8 50.6 -58.8 -42.8 -8.2 17.3 -6.1 98 98 A G H X S+ 0 0 23 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.921 110.1 49.9 -61.3 -39.5 -7.4 19.9 -3.5 99 99 A V H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.931 111.4 48.3 -60.0 -45.4 -10.8 21.5 -3.9 100 100 A M H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.854 107.5 55.3 -68.0 -36.2 -12.4 18.1 -3.6 101 101 A E H X S+ 0 0 18 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.927 109.7 47.1 -57.9 -46.3 -10.4 17.3 -0.5 102 102 A N H X S+ 0 0 65 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.912 111.5 51.4 -60.9 -41.3 -11.7 20.5 1.1 103 103 A L H X>S+ 0 0 42 -4,-2.5 4,-2.8 2,-0.2 5,-0.9 0.922 109.0 49.9 -62.8 -43.6 -15.2 19.7 0.0 104 104 A A H X5S+ 0 0 0 -4,-2.7 6,-2.3 1,-0.2 4,-0.9 0.929 116.0 43.5 -58.1 -43.8 -15.0 16.2 1.6 105 105 A R H X5S+ 0 0 56 -4,-2.3 4,-0.7 4,-0.2 -1,-0.2 0.908 121.4 38.0 -65.3 -52.4 -13.7 17.7 4.9 106 106 A E H <5S+ 0 0 119 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.931 128.7 26.4 -74.8 -46.1 -16.2 20.5 5.0 107 107 A Q H <5S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.862 134.4 28.7 -84.8 -38.6 -19.4 19.0 3.7 108 108 A Y H < - 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