==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUL-10 3AKE . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR R.MEGA,N.NAKAGAWA,S.KURAMITSU,R.MASUI . 206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 11 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 0 0 0 2 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 62 0, 0.0 4,-0.1 0, 0.0 205,-0.1 0.000 360.0 360.0 360.0 109.5 47.7 5.8 -16.7 2 2 A R + 0 0 233 2,-0.1 2,-0.1 118,-0.1 0, 0.0 0.376 360.0 53.3-108.6 0.6 49.9 3.2 -14.9 3 3 A G S S- 0 0 29 116,-0.1 118,-1.3 117,-0.1 2,-0.4 0.036 97.3 -60.3-107.5-141.7 50.5 5.3 -11.7 4 4 A I E -a 121 0A 13 116,-0.2 134,-1.6 131,-0.2 133,-0.5 -0.932 31.3-164.7-119.5 139.7 48.3 7.0 -9.2 5 5 A V E -ab 122 138A 0 116,-2.2 118,-2.9 -2,-0.4 2,-0.4 -0.954 12.2-160.7-112.8 134.0 45.8 9.9 -9.6 6 6 A T E -ab 123 139A 0 132,-2.6 134,-2.2 -2,-0.4 2,-0.4 -0.950 9.3-175.0-116.8 141.3 44.7 11.6 -6.5 7 7 A I E +ab 124 140A 0 116,-2.5 118,-1.4 -2,-0.4 2,-0.3 -0.949 15.5 173.1-134.8 104.0 41.5 13.7 -6.3 8 8 A D E +ab 125 141A 4 132,-2.4 134,-3.2 -2,-0.4 118,-0.2 -0.775 9.4 134.4-110.2 159.0 41.0 15.5 -2.9 9 9 A G - 0 0 0 116,-1.6 134,-0.2 -2,-0.3 3,-0.1 -0.929 51.8 -76.6 176.3 171.4 38.5 18.1 -1.7 10 10 A P S > S- 0 0 26 0, 0.0 3,-1.8 0, 0.0 5,-0.4 -0.137 74.8 -54.5 -76.0 177.9 36.2 18.9 1.1 11 11 A S T 3 S+ 0 0 15 1,-0.3 142,-0.1 2,-0.1 133,-0.0 -0.237 124.0 3.0 -59.5 140.1 32.9 17.2 1.7 12 12 A A T 3 S+ 0 0 20 1,-0.1 -1,-0.3 -3,-0.1 140,-0.2 0.695 87.2 130.9 57.1 25.8 30.5 17.1 -1.2 13 13 A S S < S- 0 0 0 -3,-1.8 -1,-0.1 129,-0.1 -2,-0.1 0.597 83.0-105.0 -78.9 -10.4 33.0 18.9 -3.4 14 14 A G S > S+ 0 0 11 -4,-0.2 4,-2.7 -5,-0.1 5,-0.3 0.328 84.7 126.5 103.3 -5.6 32.4 16.3 -6.1 15 15 A K H > S+ 0 0 15 -5,-0.4 4,-2.4 1,-0.2 5,-0.2 0.818 71.1 53.3 -58.5 -30.9 35.7 14.4 -5.6 16 16 A S H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.976 114.3 37.2 -69.3 -52.2 33.9 11.1 -5.3 17 17 A S H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 118.0 51.8 -67.1 -36.0 31.8 11.2 -8.5 18 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.945 111.5 47.8 -65.2 -43.9 34.7 12.8 -10.4 19 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.928 111.4 49.5 -61.8 -44.5 37.0 10.1 -9.2 20 20 A R H X S+ 0 0 85 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.923 115.9 43.3 -59.3 -45.6 34.6 7.3 -10.1 21 21 A R H X S+ 0 0 82 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 114.5 48.4 -69.4 -40.5 34.1 8.8 -13.6 22 22 A V H X S+ 0 0 0 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.937 112.7 49.2 -64.3 -49.1 37.8 9.5 -14.2 23 23 A A H X>S+ 0 0 2 -4,-2.7 5,-2.1 -5,-0.2 4,-1.1 0.919 110.8 49.8 -57.0 -46.5 38.7 6.0 -13.1 24 24 A A H ><5S+ 0 0 61 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.914 109.3 51.6 -59.0 -43.7 36.1 4.4 -15.3 25 25 A A H 3<5S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 113.9 44.3 -62.8 -27.9 37.3 6.4 -18.3 26 26 A L H 3<5S- 0 0 33 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.528 110.5-121.0 -90.7 -13.4 40.9 5.3 -17.7 27 27 A G T <<5S+ 0 0 68 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.886 74.1 114.2 71.5 41.3 40.0 1.7 -17.0 28 28 A V < - 0 0 21 -5,-2.1 -1,-0.3 -6,-0.1 93,-0.2 -0.905 69.2 -95.9-135.6 161.1 41.4 1.6 -13.5 29 29 A P - 0 0 60 0, 0.0 93,-2.5 0, 0.0 2,-0.4 -0.368 28.7-142.6 -73.9 160.1 39.9 1.2 -10.1 30 30 A Y E -c 122 0A 22 91,-0.2 2,-0.5 41,-0.1 93,-0.2 -0.941 7.7-149.2-119.6 149.7 39.0 4.1 -7.9 31 31 A L E -c 123 0A 4 91,-2.6 93,-2.8 -2,-0.4 2,-1.0 -0.978 1.3-154.3-117.8 120.9 39.5 4.1 -4.1 32 32 A S E >> -c 124 0A 12 -2,-0.5 4,-1.0 91,-0.2 3,-1.0 -0.770 9.2-175.0 -96.6 98.6 37.2 6.0 -1.8 33 33 A S H >> S+ 0 0 3 91,-2.1 4,-1.6 -2,-1.0 3,-0.7 0.902 82.6 59.8 -59.9 -37.1 39.1 6.8 1.4 34 34 A G H 3> S+ 0 0 21 90,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.800 93.7 63.2 -62.7 -29.5 36.1 8.3 3.0 35 35 A L H <> S+ 0 0 5 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.876 102.9 50.8 -63.7 -34.0 34.1 5.1 2.7 36 36 A L H S+ 0 0 5 -4,-2.5 5,-1.3 -5,-0.3 4,-0.7 0.918 112.6 47.6 -61.4 -41.2 32.1 1.9 16.3 45 45 A L H ><5S+ 0 0 73 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.977 115.1 43.1 -61.7 -54.3 28.5 3.0 16.6 46 46 A R H 3<5S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 109.5 58.6 -65.1 -31.1 26.9 -0.4 16.2 47 47 A A H 3<5S- 0 0 50 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.665 102.5-131.0 -72.6 -16.1 29.5 -2.0 18.4 48 48 A G T <<5 + 0 0 68 -3,-1.4 2,-0.2 -4,-0.7 -3,-0.2 0.784 56.0 143.7 74.4 21.0 28.6 0.1 21.3 49 49 A V < - 0 0 56 -5,-1.3 -1,-0.2 7,-0.0 -2,-0.0 -0.526 60.4-110.2 -89.6 166.2 32.2 1.1 22.1 50 50 A D > - 0 0 115 -2,-0.2 3,-2.1 1,-0.1 7,-0.2 -0.864 26.9-147.2 -90.5 118.2 33.5 4.5 23.4 51 51 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.594 92.9 74.2 -67.6 -9.3 35.4 5.7 20.3 52 52 A G T 3 S+ 0 0 59 1,-0.2 2,-1.4 2,-0.1 3,-0.2 0.679 77.8 81.8 -73.9 -16.7 37.8 7.4 22.5 53 53 A D <> + 0 0 83 -3,-2.1 4,-2.0 1,-0.2 5,-0.2 -0.665 60.7 175.7 -86.7 85.7 39.2 3.9 23.2 54 54 A E H > S+ 0 0 63 -2,-1.4 4,-3.1 1,-0.2 5,-0.2 0.880 73.1 56.5 -61.2 -37.8 41.4 3.7 20.1 55 55 A E H > S+ 0 0 163 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 110.3 44.1 -60.8 -45.6 42.9 0.3 21.0 56 56 A G H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 113.9 49.7 -70.2 -34.7 39.6 -1.3 21.3 57 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.938 110.3 50.3 -68.8 -43.8 38.3 0.3 18.1 58 58 A L H X S+ 0 0 28 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.881 108.8 52.6 -62.5 -33.4 41.4 -0.8 16.2 59 59 A A H X S+ 0 0 64 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.886 110.5 48.6 -68.7 -35.6 40.9 -4.4 17.5 60 60 A L H X S+ 0 0 38 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.957 113.3 46.7 -64.7 -50.0 37.3 -4.3 16.2 61 61 A L H <>S+ 0 0 0 -4,-2.9 5,-1.5 1,-0.2 -2,-0.2 0.888 117.8 41.2 -62.1 -40.0 38.4 -2.9 12.8 62 62 A E H ><5S+ 0 0 102 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.2 0.902 112.2 56.5 -74.2 -39.0 41.2 -5.5 12.4 63 63 A G H 3<5S+ 0 0 63 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.833 105.6 48.7 -64.1 -32.4 39.1 -8.3 13.8 64 64 A L T 3<5S- 0 0 56 -4,-1.8 16,-2.8 -5,-0.1 17,-0.3 0.416 104.9-127.7 -88.5 4.6 36.3 -8.0 11.3 65 65 A G T < 5 - 0 0 35 -3,-1.5 16,-0.2 14,-0.2 -3,-0.2 0.892 31.1-160.4 52.0 43.9 38.7 -7.8 8.4 66 66 A V < + 0 0 0 -5,-1.5 2,-0.4 13,-0.1 13,-0.2 -0.312 16.0 179.7 -57.5 127.5 37.1 -4.7 7.1 67 67 A R E -E 78 0B 126 11,-2.2 11,-2.4 -3,-0.1 2,-0.5 -0.994 29.8-128.7-140.4 147.7 38.0 -4.3 3.5 68 68 A L E -E 77 0B 34 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.789 19.1-159.0 -89.4 127.2 37.4 -1.9 0.6 69 69 A L E -E 76 0B 44 7,-3.1 7,-2.3 -2,-0.5 2,-0.7 -0.951 10.0-147.6-109.6 114.6 36.2 -3.5 -2.7 70 70 A A + 0 0 46 -2,-0.6 2,-0.4 5,-0.2 5,-0.2 -0.739 25.6 170.3 -85.4 114.2 36.8 -1.3 -5.7 71 71 A Q > - 0 0 95 -2,-0.7 3,-1.7 -41,-0.1 -41,-0.1 -0.968 40.9-123.7-123.6 144.0 34.0 -1.8 -8.2 72 72 A A T 3 S+ 0 0 70 -2,-0.4 -48,-0.2 1,-0.3 3,-0.1 0.824 111.7 51.0 -55.4 -38.4 33.6 0.5 -11.2 73 73 A E T 3 S- 0 0 171 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.573 133.4 -45.1 -78.0 -9.3 30.1 1.4 -10.3 74 74 A G < - 0 0 14 -3,-1.7 -1,-0.3 -44,-0.1 -2,-0.0 -0.533 64.2 -87.4 149.3 143.0 31.1 2.4 -6.8 75 75 A N - 0 0 6 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.320 35.7-159.1 -71.8 157.4 33.2 1.1 -3.9 76 76 A R E -E 69 0B 86 -7,-2.3 -7,-3.1 2,-0.0 2,-0.5 -0.920 7.0-146.5-130.1 153.3 31.8 -1.3 -1.3 77 77 A V E -E 68 0B 0 -2,-0.3 7,-2.7 -9,-0.2 8,-0.6 -0.992 13.1-165.0-122.2 127.6 33.0 -2.0 2.2 78 78 A L E -EF 67 83B 22 -11,-2.4 -11,-2.2 -2,-0.5 2,-0.4 -0.886 5.4-171.7-108.4 143.7 32.6 -5.5 3.7 79 79 A A E > S- F 0 82B 3 3,-2.4 3,-2.3 -2,-0.4 -14,-0.2 -0.984 81.0 -14.7-134.8 120.8 33.0 -6.3 7.4 80 80 A D T 3 S- 0 0 139 -16,-2.8 -15,-0.1 -2,-0.4 -1,-0.1 0.886 131.0 -55.4 48.6 43.1 33.0 -10.0 8.3 81 81 A G T 3 S+ 0 0 59 -17,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.330 111.8 123.0 78.7 -8.2 31.7 -10.7 4.9 82 82 A E E < -F 79 0B 108 -3,-2.3 -3,-2.4 1,-0.0 2,-0.7 -0.752 64.2-128.7 -90.4 129.4 28.7 -8.3 5.2 83 83 A D E +F 78 0B 58 -2,-0.4 3,-0.3 -5,-0.2 -5,-0.2 -0.722 28.9 177.7 -78.5 113.1 28.4 -5.5 2.7 84 84 A L > + 0 0 2 -7,-2.7 3,-2.4 -2,-0.7 4,-0.3 0.484 47.1 107.3 -92.9 -5.2 27.9 -2.3 4.9 85 85 A T G > S+ 0 0 8 -8,-0.6 3,-1.8 1,-0.3 4,-0.5 0.789 70.3 57.9 -51.4 -40.5 27.8 0.1 2.1 86 86 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.671 106.2 52.2 -66.6 -13.1 24.1 0.9 2.2 87 87 A F G < S+ 0 0 77 -3,-2.4 -1,-0.3 1,-0.1 3,-0.3 0.417 95.8 72.4 -99.8 1.2 24.5 2.1 5.8 88 88 A L S < S+ 0 0 0 -3,-1.8 2,-0.7 -4,-0.3 -2,-0.1 0.718 82.3 59.7 -94.9 -21.8 27.3 4.5 5.2 89 89 A H S S+ 0 0 92 -4,-0.5 -1,-0.2 -3,-0.1 -54,-0.0 -0.582 84.6 115.2-106.4 64.5 25.9 7.5 3.4 90 90 A T S > S- 0 0 34 -2,-0.7 4,-2.6 -3,-0.3 5,-0.2 -0.836 79.1-106.1-130.3 161.1 23.5 8.4 6.1 91 91 A P H > S+ 0 0 24 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.908 116.2 54.1 -57.1 -40.8 22.9 11.3 8.5 92 92 A E H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.939 111.4 44.0 -64.6 -40.6 24.1 9.3 11.5 93 93 A V H >> S+ 0 0 0 1,-0.2 4,-2.3 -6,-0.2 3,-0.5 0.930 111.9 53.7 -68.7 -42.8 27.4 8.5 9.9 94 94 A D H 3< S+ 0 0 12 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.891 109.8 49.8 -53.6 -39.1 27.9 12.0 8.6 95 95 A R H 3< S+ 0 0 116 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.754 120.9 29.7 -75.5 -25.1 27.4 13.4 12.1 96 96 A V H XX S+ 0 0 50 -4,-1.3 3,-1.7 -3,-0.5 4,-0.6 0.613 90.2 92.0-110.9 -12.5 29.8 11.1 14.0 97 97 A V H >X S+ 0 0 25 -4,-2.3 4,-2.9 1,-0.3 3,-1.2 0.844 79.7 64.2 -58.4 -31.1 32.6 10.3 11.5 98 98 A S H 3> S+ 0 0 51 -4,-0.4 4,-1.5 1,-0.3 -1,-0.3 0.828 93.8 62.4 -59.3 -31.8 34.7 13.2 12.5 99 99 A A H <4 S+ 0 0 39 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.793 114.9 31.2 -66.9 -28.7 35.1 11.7 16.0 100 100 A V H X< S+ 0 0 4 -3,-1.2 3,-1.9 -4,-0.6 6,-0.2 0.793 110.8 64.8 -98.2 -30.4 36.9 8.6 14.6 101 101 A A H 3< S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.800 98.6 56.4 -63.2 -28.4 38.6 10.3 11.6 102 102 A R T 3< S+ 0 0 183 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 0.558 81.9 103.0 -77.8 -8.1 40.7 12.4 13.9 103 103 A L X> - 0 0 19 -3,-1.9 4,-2.3 1,-0.2 3,-0.8 -0.645 68.7-143.4 -78.1 124.1 42.1 9.4 15.8 104 104 A P H 3> S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.863 99.4 53.6 -53.6 -39.7 45.7 8.8 14.6 105 105 A G H 3> S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.836 108.1 50.5 -67.0 -32.4 45.3 5.0 14.8 106 106 A V H <> S+ 0 0 0 -3,-0.8 4,-2.6 -6,-0.2 5,-0.2 0.920 110.3 48.3 -72.5 -41.4 42.2 5.1 12.6 107 107 A R H X S+ 0 0 68 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.917 111.6 51.5 -62.9 -37.5 43.9 7.3 9.9 108 108 A A H X S+ 0 0 41 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.901 109.8 49.8 -65.0 -37.0 46.8 4.8 10.0 109 109 A W H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.917 112.3 46.3 -65.5 -48.5 44.5 1.9 9.6 110 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.944 114.0 48.9 -59.8 -44.7 42.7 3.6 6.6 111 111 A N H X S+ 0 0 24 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.894 106.9 55.0 -67.4 -32.5 46.0 4.5 5.0 112 112 A R H X S+ 0 0 117 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.938 108.5 49.3 -64.5 -45.8 47.4 1.0 5.5 113 113 A R H >X S+ 0 0 50 -4,-2.0 3,-0.7 1,-0.2 4,-0.5 0.893 114.2 45.2 -58.4 -42.8 44.5 -0.4 3.6 114 114 A L H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.903 108.2 55.4 -69.4 -38.5 44.9 2.1 0.7 115 115 A K H 3< S+ 0 0 131 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.508 97.0 67.8 -76.5 -2.5 48.6 1.6 0.5 116 116 A E H << S+ 0 0 140 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.790 79.2 96.8 -80.0 -31.8 48.1 -2.1 -0.0 117 117 A V S << S- 0 0 44 -3,-1.1 4,-0.1 -4,-0.5 -3,-0.0 -0.304 77.6-123.9 -66.6 130.5 46.5 -1.6 -3.5 118 118 A P - 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