==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-NOV-01 1KDP . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.BERTRAND,P.BRIOZZO,L.ASSAIRI,A.OFITERU,N.BUCURENCI, . 446 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.1 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 2 0 0 0 2 1 1 3 0 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 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 PARALLEL BRIDGES PER LADDER . 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 3 A A 0 0 113 0, 0.0 2,-0.9 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 -57.5 21.6 18.8 -6.4 2 4 A I + 0 0 156 117,-0.1 119,-0.1 2,-0.0 0, 0.0 -0.802 360.0 101.9 -96.5 104.8 20.1 22.1 -7.7 3 5 A A S S- 0 0 11 -2,-0.9 120,-0.1 117,-0.1 118,-0.1 -0.887 74.0 -92.8-172.7 142.5 20.0 24.6 -4.9 4 6 A P - 0 0 43 0, 0.0 120,-0.6 0, 0.0 2,-0.3 -0.367 40.7-170.8 -64.5 151.3 22.3 27.7 -4.1 5 7 A V E -a 124 0A 0 118,-0.2 136,-1.2 133,-0.1 2,-0.6 -0.989 15.4-156.9-146.4 133.9 25.2 27.1 -1.7 6 8 A I E -ab 125 141A 0 118,-2.3 120,-3.1 -2,-0.3 2,-0.4 -0.954 17.2-154.9-112.4 116.3 27.6 29.6 0.0 7 9 A T E -ab 126 142A 0 134,-2.7 136,-2.9 -2,-0.6 2,-0.5 -0.719 10.6-171.0 -94.2 139.3 30.9 28.0 1.1 8 10 A I E +ab 127 143A 0 118,-3.2 120,-2.0 -2,-0.4 2,-0.2 -0.893 16.5 169.7-129.6 99.9 32.9 29.4 3.9 9 11 A D E +ab 128 144A 6 134,-2.6 136,-1.9 -2,-0.5 120,-0.2 -0.650 12.2 120.6-106.3 165.9 36.4 27.8 4.1 10 12 A G - 0 0 0 118,-0.8 136,-0.2 -2,-0.2 3,-0.1 -0.813 54.0 -64.6 156.1 164.4 39.3 28.8 6.2 11 13 A P S > S- 0 0 0 0, 0.0 3,-1.1 0, 0.0 5,-0.3 0.049 71.5 -58.5 -66.1 176.4 41.9 27.8 8.9 12 14 A S T 3 S+ 0 0 15 1,-0.2 168,-0.1 164,-0.2 140,-0.1 -0.298 117.3 5.4 -63.9 139.6 41.2 27.1 12.6 13 15 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.2 1,-0.1 143,-0.1 0.755 81.8 132.7 60.5 30.0 39.6 29.7 14.7 14 16 A A S < S- 0 0 2 -3,-1.1 -1,-0.1 131,-0.1 -2,-0.1 0.398 80.7-105.3 -90.3 4.3 39.0 32.2 11.8 15 17 A G S > S+ 0 0 37 137,-0.1 4,-2.1 -5,-0.1 5,-0.2 0.749 75.0 140.1 81.2 25.0 35.4 32.7 13.0 16 18 A K H > + 0 0 12 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.931 68.9 57.6 -64.6 -45.1 33.7 30.7 10.2 17 19 A G H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 110.4 41.4 -49.0 -54.8 31.2 29.3 12.7 18 20 A T H > S+ 0 0 79 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.972 115.5 49.8 -58.3 -57.2 29.9 32.7 13.7 19 21 A L H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.840 111.3 51.3 -52.3 -34.9 29.9 34.0 10.2 20 22 A C H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.914 111.9 44.7 -71.1 -42.5 28.0 30.9 9.1 21 23 A K H X S+ 0 0 94 -4,-2.3 4,-2.0 -3,-0.2 -2,-0.2 0.919 112.4 52.3 -66.6 -44.4 25.3 31.3 11.8 22 24 A A H X S+ 0 0 26 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.861 112.9 43.9 -61.2 -38.3 24.9 35.0 11.1 23 25 A M H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.853 109.2 56.1 -76.9 -35.2 24.5 34.4 7.4 24 26 A A H X>S+ 0 0 8 -4,-2.0 5,-1.9 1,-0.2 4,-1.2 0.889 111.7 45.0 -61.8 -38.1 22.1 31.5 7.9 25 27 A E H <5S+ 0 0 60 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.910 112.0 49.8 -70.6 -46.2 19.9 33.8 10.0 26 28 A A H <5S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.670 124.8 30.7 -68.4 -18.8 20.1 36.8 7.6 27 29 A L H <5S- 0 0 42 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.485 99.6-128.4-116.1 -7.6 19.1 34.5 4.7 28 30 A Q T <5 + 0 0 153 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.985 61.2 144.4 52.2 59.4 16.9 31.9 6.5 29 31 A W < - 0 0 41 -5,-1.9 95,-0.2 -6,-0.1 -1,-0.2 -0.768 53.7 -92.8-121.3 166.3 19.1 29.2 5.0 30 32 A H E -c 124 0A 83 93,-2.4 95,-2.5 90,-0.3 2,-0.3 -0.345 38.0-136.8 -79.2 164.3 20.2 25.9 6.3 31 33 A L E -c 125 0A 35 93,-0.2 2,-0.4 -2,-0.1 95,-0.2 -0.924 15.4-170.4-127.2 147.8 23.6 25.4 8.0 32 34 A L E -c 126 0A 1 93,-1.6 95,-3.0 -2,-0.3 2,-1.0 -0.902 6.7-169.3-142.2 111.8 26.3 22.8 7.8 33 35 A D E > -c 127 0A 21 -2,-0.4 4,-0.9 1,-0.2 3,-0.4 -0.839 9.2-178.2 -96.4 92.0 29.2 22.7 10.2 34 36 A S H > S+ 0 0 3 93,-2.4 4,-1.7 -2,-1.0 3,-0.4 0.833 78.9 61.2 -66.0 -32.6 31.4 20.2 8.4 35 37 A G H > S+ 0 0 15 92,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.880 96.5 61.4 -60.5 -37.1 34.0 20.3 11.2 36 38 A A H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.884 102.0 51.4 -55.9 -41.7 31.3 19.0 13.6 37 39 A I H X S+ 0 0 0 -4,-0.9 4,-2.7 -3,-0.4 5,-0.2 0.971 110.8 46.3 -62.4 -53.2 31.0 15.8 11.6 38 40 A Y H X S+ 0 0 15 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.866 115.2 48.2 -56.7 -36.3 34.8 15.2 11.6 39 41 A R H X S+ 0 0 42 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.878 110.1 51.9 -71.3 -38.5 34.8 15.9 15.4 40 42 A V H X S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.908 109.5 49.7 -62.9 -43.6 31.8 13.6 15.9 41 43 A L H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.6 0.938 108.0 52.8 -61.2 -48.3 33.5 10.8 14.1 42 44 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.856 108.6 51.4 -57.8 -33.0 36.6 11.2 16.2 43 45 A L H 3X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.807 107.9 51.7 -74.5 -28.6 34.5 11.0 19.3 44 46 A A H S+ 0 0 0 -4,-2.4 5,-3.6 1,-0.2 -2,-0.2 0.923 109.3 48.6 -57.5 -44.9 36.4 6.3 17.4 46 48 A L H ><5S+ 0 0 77 -4,-1.7 3,-0.6 3,-0.2 -1,-0.2 0.897 115.8 42.7 -63.2 -42.2 37.3 7.0 21.0 47 49 A H H 3<5S+ 0 0 91 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.899 118.5 43.3 -71.6 -42.5 34.1 5.5 22.4 48 50 A H T 3<5S- 0 0 90 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.216 113.1-115.9 -90.7 15.4 34.1 2.4 20.2 49 51 A H T < 5 + 0 0 173 -3,-0.6 2,-0.5 1,-0.2 -3,-0.2 0.912 56.7 161.2 51.8 50.9 37.8 1.9 20.7 50 52 A V < - 0 0 31 -5,-3.6 2,-0.3 -6,-0.2 -1,-0.2 -0.910 45.5-113.3-105.5 126.0 38.7 2.5 17.0 51 53 A D > - 0 0 100 -2,-0.5 3,-1.6 1,-0.2 6,-0.2 -0.384 17.7-154.9 -60.3 116.8 42.3 3.3 16.3 52 54 A V T 3 S+ 0 0 20 -2,-0.3 -1,-0.2 1,-0.3 -6,-0.0 0.521 93.9 59.4 -71.0 -6.0 42.5 6.9 15.1 53 55 A A T 3 S+ 0 0 73 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.168 90.2 86.3-106.3 15.2 45.7 6.0 13.3 54 56 A S <> - 0 0 35 -3,-1.6 4,-2.1 1,-0.2 5,-0.2 -0.907 50.8-173.2-124.6 107.7 44.1 3.3 11.2 55 57 A E H > S+ 0 0 52 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.918 90.6 56.2 -60.0 -43.1 42.3 4.2 7.9 56 58 A D H 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.870 111.1 42.2 -57.3 -41.3 41.0 0.6 7.6 57 59 A A H > S+ 0 0 40 -6,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.798 113.2 53.2 -78.1 -28.6 39.3 0.8 11.0 58 60 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.2 -2,-0.2 0.833 95.3 68.1 -74.8 -35.6 38.0 4.3 10.5 59 61 A V H X S+ 0 0 25 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.936 100.9 44.8 -51.3 -57.9 36.2 3.7 7.2 60 62 A P H > S+ 0 0 73 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.822 114.4 52.8 -58.2 -29.6 33.5 1.4 8.5 61 63 A L H < S+ 0 0 24 -4,-0.6 -2,-0.2 2,-0.2 -3,-0.1 0.941 110.6 46.8 -69.1 -47.0 33.0 3.9 11.4 62 64 A A H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 -3,-0.2 0.922 112.6 46.5 -62.9 -47.9 32.6 6.7 8.9 63 65 A S H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 120.5 38.5 -68.3 -30.4 30.2 5.1 6.6 64 66 A H T 3< S+ 0 0 159 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.2 0.092 82.8 137.8-106.4 23.3 27.9 3.8 9.4 65 67 A L < - 0 0 8 -3,-1.1 2,-1.1 -4,-0.1 -24,-0.1 -0.566 45.0-148.7 -75.2 123.2 28.2 6.8 11.7 66 68 A D + 0 0 86 -2,-0.4 15,-2.8 2,-0.0 16,-0.2 -0.780 36.3 153.3 -96.2 91.4 24.8 7.7 13.2 67 69 A V - 0 0 7 -2,-1.1 2,-0.2 13,-0.2 13,-0.2 -0.481 20.6-171.4-107.2-179.7 25.1 11.5 13.7 68 70 A R - 0 0 168 11,-0.3 11,-2.8 -2,-0.2 2,-0.4 -0.800 9.4-155.7-176.5 132.4 22.3 14.2 13.8 69 71 A F E -E 78 0B 51 -2,-0.2 2,-0.4 9,-0.2 9,-0.2 -0.954 10.5-153.7-119.0 135.4 22.2 18.0 13.8 70 72 A V E -E 77 0B 51 7,-1.7 7,-0.9 -2,-0.4 3,-0.2 -0.888 37.2 -81.9-112.8 142.3 19.3 20.0 15.2 71 73 A S - 0 0 85 -2,-0.4 2,-1.3 1,-0.2 4,-0.2 0.010 51.3-101.0 -41.9 133.0 18.3 23.6 14.1 72 74 A T - 0 0 53 1,-0.1 2,-1.4 2,-0.1 4,-0.2 -0.443 40.5-179.1 -63.2 89.6 20.4 26.4 15.6 73 75 A N S S- 0 0 119 -2,-1.3 -1,-0.1 2,-1.0 3,-0.1 -0.466 88.0 -45.7 -87.6 58.2 18.0 27.5 18.3 74 76 A G S S+ 0 0 46 -2,-1.4 2,-0.3 1,-0.1 -1,-0.1 0.164 139.6 30.7 96.2 -17.8 20.5 30.1 19.3 75 77 A N S S- 0 0 126 -4,-0.2 -2,-1.0 -54,-0.0 2,-0.3 -0.971 89.2 -92.7-160.6 168.1 23.2 27.4 19.1 76 78 A L - 0 0 46 -2,-0.3 2,-0.5 -4,-0.2 -5,-0.1 -0.642 28.9-156.8 -90.2 147.3 24.1 24.2 17.4 77 79 A E E -E 70 0B 61 -7,-0.9 -7,-1.7 -2,-0.3 2,-0.5 -0.911 5.6-163.9-130.9 105.9 23.2 20.8 18.8 78 80 A V E -E 69 0B 2 -2,-0.5 7,-2.2 -9,-0.2 8,-0.9 -0.765 4.9-165.2 -93.7 127.5 25.2 17.8 17.8 79 81 A I E -F 84 0C 30 -11,-2.8 2,-0.6 -2,-0.5 -11,-0.3 -0.940 5.7-170.3-120.3 119.1 23.8 14.3 18.5 80 82 A L E > S-F 83 0C 4 3,-2.4 3,-0.8 -2,-0.5 -13,-0.2 -0.915 78.1 -21.2-108.4 121.7 25.8 11.1 18.4 81 83 A E T 3 S- 0 0 84 -15,-2.8 -1,-0.2 -2,-0.6 -14,-0.1 0.895 132.0 -48.0 49.9 41.3 23.9 7.8 18.5 82 84 A G T 3 S+ 0 0 51 -16,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.777 116.8 113.6 72.2 28.2 21.1 9.7 20.1 83 85 A E E < -F 80 0C 133 -3,-0.8 -3,-2.4 3,-0.0 2,-0.6 -0.954 69.6-123.4-136.8 118.2 23.1 11.6 22.6 84 86 A D E +F 79 0C 99 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.405 38.4 163.6 -60.1 107.5 23.8 15.4 22.7 85 87 A V >> + 0 0 12 -7,-2.2 4,-1.7 -2,-0.6 3,-0.6 0.238 25.7 132.2-105.6 8.6 27.6 15.6 22.7 86 88 A S T 34 S+ 0 0 27 -8,-0.9 -1,-0.1 1,-0.3 -7,-0.1 0.659 78.2 36.1 -40.9 -29.6 27.6 19.3 21.7 87 89 A G T >4 S+ 0 0 53 -3,-0.2 3,-1.7 2,-0.1 -1,-0.3 0.832 109.4 60.3 -94.2 -37.8 30.1 20.1 24.4 88 90 A E G X4 S+ 0 0 102 -3,-0.6 3,-0.9 1,-0.3 6,-0.3 0.847 102.0 53.2 -60.8 -35.5 32.3 17.1 24.3 89 91 A I G 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.525 96.4 72.7 -77.5 -3.6 33.3 17.5 20.7 90 92 A R G < S+ 0 0 107 -3,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.110 76.5 101.5 -97.8 22.4 34.4 21.1 21.5 91 93 A T S <> S- 0 0 52 -3,-0.9 4,-1.1 1,-0.1 5,-0.0 -0.408 82.9-110.9 -95.7 177.4 37.5 20.1 23.4 92 94 A Q H > S+ 0 0 59 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.915 111.8 55.1 -73.4 -48.4 41.1 20.2 22.2 93 95 A E H >> S+ 0 0 140 2,-0.2 4,-3.2 1,-0.2 3,-1.3 0.959 109.4 43.7 -45.8 -72.5 41.6 16.4 22.2 94 96 A V H 3> S+ 0 0 5 1,-0.3 4,-3.0 -6,-0.3 5,-0.3 0.860 112.8 55.1 -42.8 -46.6 38.6 15.7 19.9 95 97 A A H 3X S+ 0 0 4 -4,-1.1 4,-1.4 2,-0.2 -1,-0.3 0.878 111.0 44.2 -56.5 -41.3 39.8 18.6 17.8 96 98 A N H < S+ 0 0 70 -4,-2.1 3,-1.0 1,-0.3 4,-0.4 0.883 115.1 45.1 -49.8 -51.6 44.0 12.9 12.5 101 103 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.3 0.859 107.3 61.1 -62.9 -38.5 40.9 11.2 11.3 102 104 A A H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.629 90.0 70.8 -66.0 -15.8 40.5 13.9 8.6 103 105 A A T << S+ 0 0 38 -3,-1.0 85,-0.2 -4,-0.8 -1,-0.2 0.776 75.8 90.6 -75.1 -25.6 43.8 13.0 7.0 104 106 A F X> - 0 0 45 -3,-1.1 4,-1.8 -4,-0.4 3,-0.9 -0.631 63.7-154.9 -80.2 116.0 42.7 9.7 5.5 105 107 A P H 3> S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.863 94.1 56.5 -52.1 -46.6 41.3 10.0 2.0 106 108 A R H 3> S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.834 106.6 51.9 -58.6 -34.0 39.2 6.9 2.2 107 109 A V H <> S+ 0 0 0 -3,-0.9 4,-0.6 2,-0.2 -1,-0.2 0.959 107.6 49.4 -68.8 -50.6 37.5 8.4 5.3 108 110 A R H >X S+ 0 0 12 -4,-1.8 3,-1.8 1,-0.2 4,-0.8 0.929 110.3 50.7 -55.0 -48.5 36.6 11.7 3.7 109 111 A E H >< S+ 0 0 58 -4,-2.3 3,-0.9 1,-0.3 4,-0.5 0.868 104.5 58.0 -57.9 -37.7 35.1 10.0 0.7 110 112 A A H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.583 111.3 44.0 -68.6 -9.9 33.0 7.8 3.0 111 113 A L H S+ 0 0 210 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.918 106.5 56.1 -64.1 -45.4 27.3 11.9 0.7 114 116 A R H 4 S+ 0 0 79 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.900 111.5 44.0 -53.1 -46.4 26.3 12.9 4.2 115 117 A Q H >< S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.909 111.7 51.7 -66.8 -44.8 27.7 16.5 3.7 116 118 A R H >< S+ 0 0 99 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.689 96.6 70.8 -68.9 -14.5 26.2 16.9 0.3 117 119 A A T 3< S+ 0 0 61 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.583 84.5 68.8 -77.4 -11.2 22.8 15.8 1.6 118 120 A F T < S+ 0 0 50 -3,-1.6 2,-1.3 -4,-0.2 -1,-0.3 0.618 71.6 106.7 -80.0 -12.7 22.6 19.1 3.5 119 121 A R < + 0 0 42 -3,-1.1 2,-0.3 -4,-0.2 5,-0.1 -0.531 51.1 139.2 -72.3 95.1 22.2 20.9 0.1 120 122 A E - 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