==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-JAN-10 3LE6 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.LUKACS,A.SWAIN,R.L.CROWTHER,R.U.KAMMLOTT,J.J.LIU . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 62.5 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 13.8 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 0 1 0 0 2 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 . 1 1 1 0 2 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 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 34 0, 0.0 3,-1.9 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -26.5 -12.8 31.0 -3.7 2 2 A E T 3 + 0 0 148 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.618 360.0 68.7 -67.0 -11.7 -12.8 31.1 -7.5 3 3 A N T 3 S+ 0 0 64 21,-0.1 21,-3.8 20,-0.1 22,-0.5 0.546 94.3 72.4 -80.1 -8.7 -10.5 34.0 -7.0 4 4 A F E < -A 23 0A 22 -3,-1.9 2,-0.7 19,-0.2 19,-0.2 -0.908 62.5-155.6-119.9 136.4 -7.8 31.7 -5.7 5 5 A Q E -A 22 0A 100 17,-3.3 17,-2.8 -2,-0.4 2,-0.3 -0.930 26.7-133.1-102.7 110.8 -5.6 29.0 -7.3 6 6 A K E -A 21 0A 75 -2,-0.7 15,-0.3 15,-0.3 3,-0.1 -0.467 22.6-175.8 -61.1 123.6 -4.5 26.5 -4.7 7 7 A V E - 0 0 45 13,-2.9 2,-0.3 1,-0.4 14,-0.2 0.883 59.9 -37.8 -87.5 -47.5 -0.7 26.0 -5.1 8 8 A E E -A 20 0A 105 12,-1.7 12,-3.6 0, 0.0 2,-0.4 -0.957 58.0 -93.9-171.2 156.6 -0.3 23.2 -2.5 9 9 A K E +A 19 0A 101 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.672 34.8 178.8 -75.4 129.8 -1.4 21.9 0.8 10 10 A I E - 0 0 77 8,-2.4 2,-0.3 -2,-0.4 9,-0.2 0.441 54.5 -44.9-115.1 -3.6 1.0 23.2 3.5 11 11 A G E -A 18 0A 28 7,-1.2 7,-2.5 2,-0.0 2,-0.5 -0.967 51.5 -87.5 165.4-177.5 -0.6 21.7 6.6 12 12 A E E -A 17 0A 87 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.976 34.2-160.9-125.7 117.3 -3.5 20.9 8.8 13 13 A G - 0 0 15 3,-2.4 137,-0.4 -2,-0.5 138,-0.2 -0.085 38.5 -96.9 -78.7-172.6 -4.7 23.4 11.4 14 14 A T S S+ 0 0 8 135,-0.2 136,-1.3 1,-0.1 137,-0.1 0.863 123.2 29.5 -71.0 -35.4 -6.8 22.6 14.4 15 15 A Y S S- 0 0 34 1,-0.3 2,-0.3 134,-0.2 -1,-0.1 0.704 129.0 -21.2-103.3 -26.1 -10.0 23.7 12.5 16 16 A G S S- 0 0 3 19,-0.2 -3,-2.4 135,-0.0 -1,-0.3 -0.989 75.2 -64.9-173.9 174.4 -9.2 23.0 8.9 17 17 A V E -AB 12 34A 17 17,-0.7 17,-2.7 -2,-0.3 2,-0.5 -0.391 40.9-143.9 -75.6 148.1 -6.7 22.4 6.1 18 18 A V E -AB 11 33A 27 -7,-2.5 -8,-2.4 15,-0.2 -7,-1.2 -0.965 16.3-171.2-118.0 128.4 -4.3 25.1 5.1 19 19 A Y E -AB 9 32A 66 13,-2.8 13,-3.5 -2,-0.5 2,-0.4 -0.884 26.6-127.4-113.1 146.5 -3.2 25.7 1.5 20 20 A K E +AB 8 31A 38 -12,-3.6 -13,-2.9 -2,-0.4 -12,-1.7 -0.780 47.5 172.9 -76.7 135.3 -0.7 27.8 -0.2 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.0 -2,-0.4 2,-0.4 -0.980 30.2-133.9-148.1 156.3 -2.7 29.7 -2.9 22 22 A R E -AB 5 29A 115 -17,-2.8 -17,-3.3 -2,-0.3 2,-0.4 -0.948 24.7-121.4-114.4 135.7 -2.4 32.5 -5.4 23 23 A N E > -A 4 0A 23 5,-3.2 4,-2.3 -2,-0.4 -19,-0.2 -0.615 20.5-147.5 -67.1 122.7 -4.9 35.2 -6.1 24 24 A K T 4 S+ 0 0 120 -21,-3.8 -1,-0.2 -2,-0.4 -20,-0.1 0.799 94.7 41.4 -67.2 -28.1 -5.9 34.8 -9.7 25 25 A L T 4 S+ 0 0 132 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.964 130.0 21.6 -80.7 -60.2 -6.3 38.5 -10.1 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.615 91.2-130.1 -89.1 -15.0 -3.4 40.0 -8.2 27 27 A G < + 0 0 44 -4,-2.3 -3,-0.1 1,-0.3 -1,-0.0 0.440 51.8 159.9 76.2 -2.5 -1.1 37.0 -8.2 28 28 A E - 0 0 90 -6,-0.1 -5,-3.2 1,-0.1 2,-0.5 -0.270 38.1-134.3 -55.7 131.7 -0.7 37.6 -4.5 29 29 A V E +B 22 0A 57 -7,-0.2 44,-0.5 -3,-0.1 2,-0.3 -0.810 37.8 162.0 -91.1 127.8 0.5 34.4 -2.7 30 30 A V E -BC 21 72A 0 -9,-3.0 -9,-2.6 -2,-0.5 2,-0.5 -0.850 42.3-110.3-137.0 168.5 -1.5 33.7 0.5 31 31 A A E -BC 20 71A 11 40,-2.9 40,-3.4 -2,-0.3 2,-0.6 -0.935 32.1-158.4-102.2 131.4 -2.3 31.0 3.0 32 32 A L E -BC 19 70A 3 -13,-3.5 -13,-2.8 -2,-0.5 2,-0.6 -0.933 4.6-164.9-117.8 112.4 -5.8 29.8 2.7 33 33 A K E -BC 18 69A 3 36,-2.8 36,-2.6 -2,-0.6 2,-0.6 -0.861 5.5-160.1 -98.7 124.9 -7.4 28.0 5.7 34 34 A K E BC 17 68A 71 -17,-2.7 -17,-0.7 -2,-0.6 34,-0.2 -0.913 360.0 360.0-109.5 116.7 -10.6 26.1 4.9 35 35 A I 0 0 58 32,-3.2 32,-2.1 -2,-0.6 -19,-0.2 -0.839 360.0 360.0-107.5 360.0 -12.9 25.4 7.9 36 ! 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 37 45 A P >> 0 0 116 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 125.7 -22.4 30.4 13.4 38 46 A S H 3> + 0 0 102 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.708 360.0 62.1 -70.6 -24.1 -22.7 34.2 13.3 39 47 A T H 3> S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.871 107.2 46.6 -68.5 -35.3 -21.1 34.8 16.7 40 48 A A H <> S+ 0 0 2 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.899 110.8 52.3 -69.9 -43.4 -17.9 33.2 15.4 41 49 A I H X S+ 0 0 41 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.879 110.2 48.5 -59.0 -39.9 -18.1 35.3 12.2 42 50 A R H X S+ 0 0 134 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.947 111.3 49.4 -67.6 -46.9 -18.5 38.5 14.2 43 51 A E H X S+ 0 0 35 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.915 113.0 46.8 -56.4 -46.5 -15.5 37.6 16.4 44 52 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.3 0.904 108.5 55.7 -65.1 -41.7 -13.3 36.8 13.4 45 53 A S H >< S+ 0 0 49 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.886 104.8 53.0 -58.3 -40.5 -14.3 40.0 11.6 46 54 A L H >< S+ 0 0 84 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.851 102.1 60.0 -63.1 -33.3 -13.2 42.0 14.6 47 55 A L H >< S+ 0 0 25 -4,-1.2 3,-1.0 -3,-0.3 -1,-0.2 0.726 87.3 75.5 -68.7 -20.8 -9.8 40.3 14.4 48 56 A K T << S+ 0 0 65 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.742 96.5 47.4 -64.6 -22.7 -9.3 41.7 10.9 49 57 A E T < S+ 0 0 136 -3,-1.3 2,-1.7 -4,-0.3 -1,-0.3 0.552 87.0 91.1 -94.0 -10.2 -8.6 45.1 12.3 50 58 A L < + 0 0 36 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.1 -0.542 61.6 169.3 -88.4 75.2 -6.1 44.0 14.9 51 59 A N + 0 0 73 -2,-1.7 5,-0.1 6,-0.1 6,-0.0 -0.667 9.5 155.3 -96.2 140.4 -3.0 44.3 12.9 52 60 A H > - 0 0 42 3,-0.4 3,-2.0 -2,-0.3 53,-0.0 -0.969 49.4-116.5-156.8 147.5 0.6 44.0 14.1 53 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.763 116.8 48.2 -61.4 -23.7 3.9 43.1 12.4 54 62 A N T 3 S+ 0 0 9 79,-0.1 80,-2.4 47,-0.1 2,-0.5 0.241 98.8 82.1-101.6 14.0 4.3 40.0 14.7 55 63 A I B < S-e 134 0B 14 -3,-2.0 -3,-0.4 78,-0.2 2,-0.2 -0.979 91.7-113.2-113.0 128.9 0.7 38.9 14.1 56 64 A V - 0 0 11 78,-2.5 2,-0.3 -2,-0.5 81,-0.1 -0.419 43.5-113.6 -59.0 124.3 0.0 36.9 10.9 57 65 A K - 0 0 91 -2,-0.2 15,-2.4 -4,-0.1 2,-1.0 -0.446 16.1-143.0 -73.1 126.8 -2.2 39.3 8.9 58 66 A L E +D 71 0A 15 -2,-0.3 13,-0.2 -11,-0.2 3,-0.1 -0.784 22.7 179.2 -84.0 105.1 -5.8 38.2 8.4 59 67 A L E - 0 0 34 11,-2.0 2,-0.3 -2,-1.0 12,-0.2 0.889 56.7 -12.3 -78.2 -40.9 -6.4 39.5 4.8 60 68 A D E -D 70 0A 76 10,-1.6 10,-2.8 2,-0.0 2,-0.4 -0.997 47.0-140.9-158.8 157.9 -10.0 38.3 4.3 61 69 A V E -D 69 0A 32 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.996 20.1-172.4-122.8 127.9 -12.8 36.2 5.5 62 70 A I E -D 68 0A 41 6,-2.9 6,-3.5 -2,-0.4 2,-0.5 -0.980 0.7-172.8-125.7 125.7 -15.0 34.4 3.0 63 71 A H E D 67 0A 116 -2,-0.5 4,-0.2 4,-0.2 -2,-0.0 -0.950 360.0 360.0-126.0 114.7 -18.2 32.5 4.0 64 72 A T 0 0 126 2,-2.5 3,-0.2 -2,-0.5 -1,-0.1 0.248 360.0 360.0-169.2 360.0 -20.2 30.4 1.6 65 ! 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 66 75 A K 0 0 139 0, 0.0 -2,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 147.6 -17.8 26.7 4.5 67 76 A L E - D 0 63A 14 -32,-2.1 -32,-3.2 -4,-0.2 2,-0.4 -0.973 360.0-169.3-122.0 121.1 -15.6 29.3 6.1 68 77 A Y E -CD 34 62A 27 -6,-3.5 -6,-2.9 -2,-0.5 2,-0.5 -0.908 4.9-162.6-110.3 133.7 -12.3 30.4 4.4 69 78 A L E -CD 33 61A 0 -36,-2.6 -36,-2.8 -2,-0.4 2,-0.6 -0.973 8.2-152.6-114.1 127.1 -9.7 32.6 6.0 70 79 A V E -CD 32 60A 4 -10,-2.8 -11,-2.0 -2,-0.5 -10,-1.6 -0.891 23.4-177.9-101.9 116.9 -7.1 34.2 3.8 71 80 A F E -CD 31 58A 23 -40,-3.4 -40,-2.9 -2,-0.6 -13,-0.2 -0.798 35.3 -94.3-114.6 152.2 -3.9 34.9 5.6 72 81 A E E -C 30 0A 49 -15,-2.4 2,-0.4 -2,-0.3 -42,-0.1 -0.347 50.8-123.9 -47.3 139.5 -0.5 36.4 4.9 73 82 A F + 0 0 34 -44,-0.5 2,-0.3 -52,-0.0 -1,-0.1 -0.831 30.9 176.9-101.6 131.8 1.9 33.6 3.8 74 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.965 28.1-133.2-126.9 153.6 5.2 32.7 5.4 75 84 A H S S+ 0 0 156 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.805 76.9 32.5 -78.7 -32.2 7.4 29.9 4.3 76 85 A Q E -F 126 0B 65 50,-1.3 50,-2.9 4,-0.0 2,-0.2 -0.943 60.0-141.6-135.7 149.2 8.3 28.1 7.5 77 86 A D E > -F 125 0B 44 -2,-0.3 4,-1.5 48,-0.3 48,-0.3 -0.655 28.2-119.0-101.8 162.4 7.0 27.3 11.0 78 87 A L H > S+ 0 0 0 46,-2.9 4,-3.1 43,-0.9 5,-0.2 0.836 107.5 62.6 -72.6 -32.9 9.1 27.3 14.2 79 88 A K H > S+ 0 0 73 42,-1.0 4,-2.2 45,-0.3 -1,-0.2 0.933 107.0 44.1 -59.0 -45.6 8.6 23.7 15.0 80 89 A K H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 113.8 51.3 -64.8 -39.9 10.3 22.6 11.8 81 90 A F H X S+ 0 0 28 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.895 108.6 51.1 -65.6 -40.4 13.1 25.1 12.4 82 91 A M H < S+ 0 0 19 -4,-3.1 4,-0.3 2,-0.2 3,-0.2 0.916 112.2 46.7 -62.4 -44.1 13.6 23.9 16.0 83 92 A D H >< S+ 0 0 97 -4,-2.2 3,-1.5 1,-0.2 4,-0.3 0.943 111.7 50.5 -61.5 -47.7 13.9 20.3 14.7 84 93 A A H 3< S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 3,-0.2 0.718 116.1 43.6 -62.9 -20.0 16.2 21.4 11.9 85 94 A S T >X S+ 0 0 22 -4,-1.1 4,-4.1 -3,-0.2 3,-0.7 0.391 82.5 106.5-103.0 1.4 18.3 23.2 14.6 86 95 A A T <4 S+ 0 0 39 -3,-1.5 -1,-0.1 -4,-0.3 -2,-0.1 0.752 77.5 49.3 -59.5 -30.3 18.2 20.4 17.2 87 96 A L T 34 S+ 0 0 166 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.830 127.7 21.6 -81.4 -32.1 21.8 19.3 16.7 88 97 A T T <4 S- 0 0 125 -3,-0.7 -2,-0.2 -4,-0.1 -1,-0.1 0.705 104.7-130.4-103.9 -28.6 23.4 22.7 17.0 89 98 A G < - 0 0 13 -4,-4.1 -3,-0.1 -7,-0.2 99,-0.1 0.258 31.5 -74.0 84.4 142.8 20.7 24.6 18.8 90 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 100,-0.0 -0.568 61.1-103.3 -68.5 128.3 19.3 28.0 17.8 91 100 A P >> - 0 0 82 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.196 27.2-119.2 -53.4 143.2 21.9 30.6 18.6 92 101 A L H 3> S+ 0 0 66 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.885 111.5 58.1 -53.9 -42.9 21.0 32.6 21.8 93 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.841 110.1 43.6 -60.3 -32.6 20.7 35.9 19.9 94 103 A L H <> S+ 0 0 6 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.883 113.0 51.0 -77.8 -41.4 18.1 34.5 17.6 95 104 A I H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.956 113.0 47.5 -54.8 -49.5 16.2 32.8 20.5 96 105 A K H X S+ 0 0 10 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.902 112.3 48.8 -59.1 -43.5 16.3 36.2 22.2 97 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.901 111.8 48.7 -64.7 -41.9 15.1 38.0 19.1 98 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.922 112.4 47.5 -65.3 -44.3 12.3 35.6 18.6 99 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.900 111.3 52.5 -62.1 -41.3 11.1 35.8 22.2 100 109 A F H X S+ 0 0 52 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.921 112.3 44.0 -61.3 -46.0 11.3 39.6 22.1 101 110 A Q H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.889 111.6 53.0 -68.6 -39.5 9.1 39.7 18.9 102 111 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 107.6 52.0 -64.3 -38.1 6.6 37.2 20.2 103 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.859 106.7 53.3 -64.9 -35.5 6.2 39.3 23.4 104 113 A Q H X S+ 0 0 63 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.893 109.9 48.6 -64.7 -38.8 5.5 42.3 21.3 105 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.943 114.2 44.9 -65.2 -48.1 2.8 40.4 19.5 106 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.916 110.3 55.0 -58.6 -45.4 1.3 39.2 22.8 107 116 A A H X S+ 0 0 25 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.909 110.1 47.0 -59.1 -41.0 1.6 42.7 24.3 108 117 A F H X S+ 0 0 48 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.956 115.9 41.4 -64.8 -52.7 -0.4 44.1 21.3 109 118 A C H ><>S+ 0 0 5 -4,-2.2 5,-2.2 1,-0.2 3,-1.1 0.918 114.4 52.5 -65.3 -41.1 -3.2 41.6 21.3 110 119 A H H ><5S+ 0 0 24 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.840 100.5 61.0 -63.7 -32.9 -3.5 41.5 25.1 111 120 A S H 3<5S+ 0 0 73 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.744 107.7 47.1 -63.7 -21.5 -3.8 45.3 25.1 112 121 A H T <<5S- 0 0 86 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.308 121.0-114.8 -98.5 6.2 -6.9 44.6 23.1 113 122 A R T < 5 + 0 0 210 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.816 69.6 139.3 65.6 31.6 -8.0 41.9 25.5 114 123 A V < - 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