==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-05 2BTS . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.VULPETTI,E.CASALE,F.ROLETTO,R.AMICI,M.VILLA,P.PEVARELLO . 274 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 12 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 1 0 2 0 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 3 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 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 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 44 0, 0.0 3,-1.2 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -25.3 -13.4 4.4 40.1 2 2 A E T 3 + 0 0 162 1,-0.2 22,-0.0 3,-0.0 0, 0.0 0.639 360.0 68.8 -64.0 -14.4 -13.5 4.7 43.8 3 3 A N T 3 S+ 0 0 83 20,-0.1 21,-2.8 21,-0.0 2,-0.4 0.670 92.9 69.4 -75.8 -16.9 -10.8 1.9 43.6 4 4 A F E < -A 23 0A 30 -3,-1.2 2,-0.5 19,-0.2 19,-0.2 -0.876 59.8-158.9-117.3 136.7 -8.2 4.3 42.0 5 5 A Q E -A 22 0A 127 17,-2.2 17,-1.9 -2,-0.4 2,-0.2 -0.939 24.8-126.5-112.4 122.1 -6.1 7.3 43.4 6 6 A K E +A 21 0A 102 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.459 25.3 179.2 -70.6 129.4 -4.7 9.9 40.9 7 7 A V E - 0 0 74 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.811 61.9 -29.7 -94.5 -43.8 -0.9 10.5 41.3 8 8 A E E -A 20 0A 113 12,-1.4 12,-2.4 0, 0.0 2,-0.5 -0.965 60.5 -93.8-172.1 156.4 -0.3 13.0 38.5 9 9 A K E -A 19 0A 120 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.667 30.1-176.8 -78.5 123.6 -1.4 14.3 35.0 10 10 A I E - 0 0 93 8,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.938 50.1 -82.0 -81.9 -62.5 0.6 12.7 32.2 11 11 A G E -A 18 0A 23 7,-1.0 7,-2.5 2,-0.0 -1,-0.3 -0.894 40.6 -91.0-176.8-154.9 -0.9 14.6 29.3 12 12 A E E +A 17 0A 140 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.925 18.0 179.8-146.3 161.6 -3.7 15.0 26.7 13 13 A G - 0 0 55 3,-2.1 -2,-0.0 -2,-0.3 5,-0.0 -0.799 52.4 -80.9-145.0-169.9 -5.1 14.2 23.3 14 14 A T S S+ 0 0 103 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.892 125.8 39.3 -63.3 -42.6 -8.2 15.0 21.2 15 15 A Y S S- 0 0 105 1,-0.1 21,-0.4 20,-0.1 2,-0.3 0.698 122.6 -32.5 -79.6 -31.3 -10.4 12.3 22.9 16 16 A G - 0 0 10 19,-0.1 -3,-2.1 2,-0.0 2,-0.4 -0.977 55.8 -82.3-175.1 179.8 -9.3 12.6 26.5 17 17 A V E -AB 12 34A 25 17,-1.6 17,-2.8 -2,-0.3 2,-0.4 -0.929 34.3-145.3-117.2 137.4 -6.9 13.3 29.4 18 18 A V E -AB 11 33A 35 -7,-2.5 -8,-2.2 -2,-0.4 -7,-1.0 -0.866 15.8-176.4-110.9 133.8 -4.4 10.7 30.8 19 19 A Y E -AB 9 32A 32 13,-2.2 13,-2.6 -2,-0.4 2,-0.4 -0.954 28.3-126.1-124.3 144.1 -3.4 10.3 34.5 20 20 A K E +AB 8 31A 49 -12,-2.4 -13,-2.8 -2,-0.3 -12,-1.4 -0.793 45.9 173.8 -76.6 133.6 -0.9 8.0 36.4 21 21 A A E -AB 6 30A 0 9,-2.2 9,-2.4 -2,-0.4 2,-0.4 -0.935 29.2-130.8-144.2 159.7 -3.0 6.3 39.1 22 22 A R E -AB 5 29A 130 -17,-1.9 -17,-2.2 -2,-0.3 2,-0.5 -0.970 18.2-132.5-120.5 131.8 -2.7 3.6 41.9 23 23 A N E > -A 4 0A 25 5,-2.8 4,-1.8 -2,-0.4 -19,-0.2 -0.722 11.7-155.0 -80.7 121.2 -5.2 0.7 42.4 24 24 A K T 4 S+ 0 0 128 -21,-2.8 -1,-0.1 -2,-0.5 -20,-0.1 0.603 89.9 46.4 -76.8 -15.6 -6.0 0.5 46.2 25 25 A L T 4 S+ 0 0 150 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.0 0.878 125.5 24.9 -91.9 -48.9 -6.9 -3.2 46.1 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.634 95.2-128.4 -86.6 -12.4 -3.9 -4.7 44.1 27 27 A G < + 0 0 47 -4,-1.8 -3,-0.1 1,-0.2 -1,-0.0 0.351 59.3 151.3 74.1 -0.9 -1.4 -1.9 45.0 28 28 A E - 0 0 96 -6,-0.1 -5,-2.8 -5,-0.1 2,-0.5 -0.171 46.7-132.6 -73.2 148.3 -0.8 -1.7 41.2 29 29 A V E +B 22 0A 53 -7,-0.2 45,-0.6 -3,-0.1 2,-0.2 -0.902 39.1 160.7-100.6 128.0 0.4 1.4 39.1 30 30 A V E -BC 21 73A 1 -9,-2.4 -9,-2.2 -2,-0.5 2,-0.4 -0.799 38.7-110.1-135.9 171.4 -1.7 2.0 36.0 31 31 A A E -BC 20 72A 15 41,-2.5 41,-2.9 -2,-0.2 2,-0.5 -0.959 27.1-157.7-111.8 139.7 -2.7 4.6 33.3 32 32 A L E -BC 19 71A 1 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.6 -0.953 2.8-161.5-122.6 120.0 -6.2 6.0 33.3 33 33 A K E -BC 18 70A 10 37,-2.8 37,-2.3 -2,-0.5 2,-0.5 -0.935 10.1-156.7-107.5 119.1 -7.7 7.7 30.1 34 34 A K E -BC 17 69A 38 -17,-2.8 -17,-1.6 -2,-0.6 2,-0.4 -0.853 11.2-178.3 -97.3 123.5 -10.8 9.9 30.8 35 35 A I E C 0 68A 44 33,-2.4 33,-1.9 -2,-0.5 -19,-0.1 -0.960 360.0 360.0-114.7 135.1 -13.4 10.6 28.0 36 36 A R 0 0 219 -21,-0.4 31,-0.2 -2,-0.4 30,-0.1 -0.802 360.0 360.0 -87.7 360.0 -16.5 12.9 28.4 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 46 A S > 0 0 108 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -82.2 -23.3 1.8 22.1 39 47 A T H > + 0 0 87 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.801 360.0 60.7 -55.8 -36.0 -21.6 0.4 18.9 40 48 A A H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.956 102.6 47.2 -56.0 -55.1 -18.6 2.3 20.5 41 49 A I H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 110.8 54.0 -53.4 -46.0 -18.7 0.2 23.7 42 50 A R H X S+ 0 0 173 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.931 112.1 42.0 -55.1 -50.0 -18.9 -3.0 21.6 43 51 A E H < S+ 0 0 123 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.844 113.3 51.2 -73.3 -37.4 -15.8 -2.2 19.5 44 52 A I H >< S+ 0 0 30 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.840 107.9 55.4 -64.2 -35.9 -13.7 -0.9 22.4 45 53 A S H >< S+ 0 0 39 -4,-1.9 3,-0.6 -5,-0.3 4,-0.3 0.763 97.2 61.7 -74.6 -23.7 -14.6 -4.1 24.3 46 54 A L G >< S+ 0 0 120 -4,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.675 95.9 63.7 -70.3 -18.4 -13.2 -6.3 21.4 47 55 A L G X S+ 0 0 51 -3,-0.8 3,-1.0 -4,-0.5 11,-0.3 0.705 85.4 70.7 -77.5 -22.8 -9.8 -4.7 22.1 48 56 A K G < S+ 0 0 64 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.759 100.7 49.6 -58.1 -24.7 -9.7 -6.2 25.6 49 57 A E G < S+ 0 0 156 -3,-0.5 2,-1.1 -4,-0.3 -1,-0.2 0.508 87.3 91.9 -94.7 -8.8 -9.2 -9.6 23.7 50 58 A L < + 0 0 20 -3,-1.0 2,-0.4 -4,-0.2 8,-0.2 -0.692 56.9 167.5 -92.2 87.7 -6.4 -8.3 21.4 51 59 A N + 0 0 82 -2,-1.1 5,-0.1 6,-0.1 -3,-0.0 -0.881 7.2 143.8-113.8 131.5 -3.2 -9.2 23.4 52 60 A H > - 0 0 43 -2,-0.4 3,-2.0 3,-0.4 54,-0.0 -0.969 56.2-111.9-157.5 146.0 0.5 -9.2 22.1 53 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.701 118.0 51.3 -57.7 -19.5 3.9 -8.3 23.7 54 62 A N T 3 S+ 0 0 12 80,-0.1 81,-2.5 48,-0.1 2,-0.4 0.112 97.3 79.5-107.3 22.6 4.2 -5.2 21.4 55 63 A I B < S-e 135 0B 12 -3,-2.0 -3,-0.4 79,-0.2 81,-0.2 -0.996 86.8-116.1-125.0 126.8 0.7 -3.8 22.2 56 64 A V - 0 0 12 79,-2.4 2,-0.3 -2,-0.4 81,-0.1 -0.392 42.6-114.3 -58.4 124.6 -0.1 -1.8 25.4 57 65 A K - 0 0 58 -2,-0.1 16,-2.0 -4,-0.1 2,-0.8 -0.483 14.9-144.0 -74.3 128.4 -2.6 -3.9 27.4 58 66 A L E -D 72 0A 13 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.830 18.6-177.1 -82.9 105.5 -6.1 -2.7 28.0 59 67 A L E - 0 0 60 12,-1.9 2,-0.3 -2,-0.8 13,-0.2 0.893 56.8 -19.5 -73.7 -44.1 -6.9 -3.9 31.5 60 68 A D E -D 71 0A 74 11,-1.5 11,-2.8 2,-0.0 2,-0.4 -0.995 44.8-131.6-162.6 163.3 -10.6 -2.7 31.7 61 69 A V E -D 70 0A 24 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.990 21.8-168.9-118.4 122.9 -13.4 -0.4 30.6 62 70 A I E -D 69 0A 43 7,-2.8 7,-2.1 -2,-0.4 2,-0.7 -0.937 2.0-172.1-121.9 109.8 -15.5 1.5 33.2 63 71 A H E +D 68 0A 113 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.879 16.5 161.5-106.8 105.8 -18.7 3.3 32.1 64 72 A T E > -D 67 0A 69 3,-1.9 3,-1.4 -2,-0.7 -2,-0.0 -0.966 66.6 -18.1-134.2 115.3 -20.2 5.4 34.9 65 73 A E T 3 S- 0 0 148 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.866 121.7 -57.5 63.0 41.4 -22.8 8.2 34.4 66 74 A N T 3 S+ 0 0 136 1,-0.2 2,-0.4 -30,-0.1 -1,-0.3 0.441 114.4 114.5 63.8 2.2 -22.0 8.6 30.6 67 75 A K E < - D 0 64A 95 -3,-1.4 -3,-1.9 -31,-0.2 2,-0.4 -0.835 57.6-148.0 -90.5 139.4 -18.3 9.3 31.3 68 76 A L E -CD 35 63A 22 -33,-1.9 -33,-2.4 -2,-0.4 2,-0.4 -0.952 12.3-169.4-114.6 131.0 -16.0 6.5 29.9 69 77 A Y E -CD 34 62A 33 -7,-2.1 -7,-2.8 -2,-0.4 2,-0.5 -0.980 5.8-159.6-122.0 126.3 -12.7 5.5 31.6 70 78 A L E -CD 33 61A 15 -37,-2.3 -37,-2.8 -2,-0.4 2,-0.6 -0.908 8.4-152.0-105.3 129.4 -10.1 3.1 30.0 71 79 A V E +CD 32 60A 5 -11,-2.8 -12,-1.9 -2,-0.5 -11,-1.5 -0.910 21.5 177.4-106.8 115.9 -7.6 1.4 32.3 72 80 A F E -CD 31 58A 28 -41,-2.9 -41,-2.5 -2,-0.6 -14,-0.2 -0.799 36.4 -97.0-114.9 155.2 -4.2 0.5 30.8 73 81 A E E -C 30 0A 53 -16,-2.0 2,-0.4 -2,-0.3 -43,-0.2 -0.444 49.3-119.2 -58.7 143.1 -0.8 -1.0 31.8 74 82 A F - 0 0 44 -45,-0.6 2,-0.3 -2,-0.1 -45,-0.1 -0.820 28.6-175.8 -98.7 129.0 1.8 1.8 32.6 75 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 3,-0.1 -0.848 28.0-126.8-113.6 159.3 5.1 2.4 30.8 76 84 A H S S+ 0 0 110 51,-0.5 2,-0.3 -2,-0.3 52,-0.1 0.671 78.3 16.4 -88.8 -15.0 7.6 5.1 31.9 77 85 A Q E -F 127 0B 20 50,-1.0 50,-2.5 199,-0.1 2,-0.2 -0.998 59.7-135.0-154.1 149.4 8.3 7.1 28.7 78 86 A D E > -F 126 0B 51 -2,-0.3 4,-1.7 48,-0.2 3,-0.3 -0.663 33.1-111.3 -98.8 164.4 7.0 7.8 25.1 79 87 A L H > S+ 0 0 0 46,-2.1 4,-2.2 43,-1.0 44,-0.2 0.773 113.0 60.6 -67.8 -30.2 9.1 8.0 21.9 80 88 A K H > S+ 0 0 79 42,-0.5 4,-1.8 45,-0.3 -1,-0.2 0.912 108.2 44.3 -61.7 -44.9 8.7 11.8 21.4 81 89 A K H > S+ 0 0 130 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.889 112.9 51.3 -65.0 -42.1 10.4 12.5 24.8 82 90 A F H X S+ 0 0 12 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.896 111.0 48.4 -60.8 -43.9 13.2 9.9 24.1 83 91 A M H < S+ 0 0 23 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 110.4 51.2 -64.0 -41.2 13.9 11.5 20.7 84 92 A D H >< S+ 0 0 93 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.903 113.3 44.7 -62.6 -43.1 14.0 15.1 22.3 85 93 A A H 3< S+ 0 0 82 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.655 112.9 51.8 -73.5 -19.5 16.5 13.9 24.9 86 94 A S T 3X S+ 0 0 19 -4,-1.0 4,-3.4 -3,-0.2 3,-0.4 0.227 80.5 112.6 -95.7 12.4 18.5 12.0 22.2 87 95 A A T <4 S+ 0 0 45 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.728 73.4 41.1 -67.8 -33.1 18.7 15.1 20.0 88 96 A L T 4 S+ 0 0 165 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.740 129.5 28.1 -89.7 -22.3 22.4 16.1 20.1 89 97 A T T 4 S- 0 0 115 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.1 0.765 100.2-136.4-105.0 -34.8 23.7 12.5 19.9 90 98 A G < - 0 0 15 -4,-3.4 -3,-0.1 -7,-0.2 85,-0.1 0.289 31.6 -71.3 83.2 144.6 21.0 10.7 17.9 91 99 A I - 0 0 16 83,-0.4 5,-0.1 1,-0.1 -8,-0.0 -0.516 60.4-105.8 -65.6 127.4 19.5 7.2 18.7 92 100 A P >> - 0 0 83 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.242 26.0-119.3 -57.2 146.7 22.1 4.5 17.8 93 101 A L H 3> S+ 0 0 71 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.848 110.2 55.1 -60.8 -44.8 21.4 2.5 14.6 94 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.4 0, 0.0 174,-0.3 0.776 110.1 48.4 -61.4 -26.6 21.0 -1.0 16.2 95 103 A L H <> S+ 0 0 7 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.846 109.8 51.1 -77.9 -37.1 18.4 0.4 18.6 96 104 A I H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.938 111.5 48.7 -59.8 -47.6 16.4 2.1 15.7 97 105 A K H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 111.0 50.4 -62.0 -40.7 16.5 -1.2 13.8 98 106 A S H X S+ 0 0 5 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.928 110.9 48.2 -58.9 -49.3 15.2 -3.1 17.0 99 107 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.907 112.1 48.8 -62.9 -46.1 12.3 -0.7 17.5 100 108 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.919 111.3 50.0 -55.8 -49.4 11.2 -0.9 13.8 101 109 A F H X S+ 0 0 54 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.918 111.9 48.2 -55.9 -48.8 11.3 -4.8 13.8 102 110 A Q H X S+ 0 0 12 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 110.9 49.8 -62.1 -42.0 9.2 -4.9 17.0 103 111 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.883 108.3 53.0 -67.2 -36.2 6.6 -2.4 15.7 104 112 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.834 106.5 54.3 -67.5 -32.3 6.2 -4.4 12.5 105 113 A Q H X S+ 0 0 73 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.929 109.8 47.2 -61.2 -46.8 5.6 -7.6 14.6 106 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 113.4 47.1 -59.5 -48.2 2.7 -5.8 16.4 107 115 A L H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.919 108.2 54.4 -62.3 -47.9 1.2 -4.5 13.2 108 116 A A H X S+ 0 0 18 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.899 111.3 48.2 -53.8 -41.4 1.4 -7.9 11.4 109 117 A F H X S+ 0 0 57 -4,-1.8 4,-0.8 2,-0.2 3,-0.3 0.957 115.1 41.7 -60.3 -56.6 -0.6 -9.4 14.4 110 118 A C H ><>S+ 0 0 1 -4,-2.3 5,-1.9 1,-0.2 3,-1.0 0.916 113.2 53.6 -61.6 -45.9 -3.3 -6.6 14.5 111 119 A H H ><5S+ 0 0 22 -4,-3.2 3,-1.0 1,-0.2 -1,-0.2 0.786 102.9 57.7 -63.2 -28.0 -3.7 -6.6 10.7 112 120 A S H 3<5S+ 0 0 64 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.722 107.0 49.1 -72.0 -23.6 -4.2 -10.5 10.6 113 121 A H T <<5S- 0 0 111 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.150 121.6-111.2 -96.0 18.7 -7.2 -9.9 13.0 114 122 A R T < 5S+ 0 0 216 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.867 73.3 136.8 54.5 41.6 -8.6 -7.1 10.6 115 123 A V < - 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