==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-OCT-03 1R78 . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.-C.LUK,M.E.SIMCOX,A.SCHUTT,K.ROWAN,T.THOMPSON,Y.CHEN, . 273 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 64.8 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 14.3 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 . 23 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 25.6 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 0 0 1 1 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 1 1 2 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 50 0, 0.0 3,-1.4 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -22.9 27.1 -20.7 14.7 2 2 A E T 3 + 0 0 154 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.521 360.0 75.7 -71.8 -5.5 26.8 -24.5 14.0 3 3 A N T 3 S+ 0 0 70 20,-0.1 21,-2.6 21,-0.1 2,-0.4 0.413 87.2 76.5 -82.3 1.1 24.3 -24.3 16.8 4 4 A F E < -A 23 0A 31 -3,-1.4 2,-0.5 19,-0.2 19,-0.2 -0.960 61.1-158.9-127.9 131.0 21.7 -22.7 14.5 5 5 A Q E -A 22 0A 80 17,-2.7 17,-2.4 -2,-0.4 2,-0.2 -0.900 26.8-122.9-105.8 124.7 19.5 -24.1 11.7 6 6 A K E +A 21 0A 130 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.455 29.4 175.4 -65.5 130.9 18.2 -21.8 9.0 7 7 A V E - 0 0 52 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.797 63.9 -37.3 -98.9 -50.6 14.4 -21.8 8.8 8 8 A E E -A 20 0A 115 12,-1.9 12,-3.1 0, 0.0 -1,-0.3 -0.954 59.1 -93.6-170.7 155.4 14.1 -19.0 6.2 9 9 A K E -A 19 0A 112 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.592 27.6-172.8 -74.0 128.2 15.4 -15.6 5.0 10 10 A I E - 0 0 92 8,-2.8 2,-0.3 -2,-0.3 9,-0.2 0.889 49.3 -93.3 -85.4 -47.1 13.5 -12.7 6.6 11 11 A G E -A 18 0A 22 7,-1.5 7,-3.0 5,-0.0 2,-0.5 -0.926 51.5 -41.8 157.4-179.2 15.3 -9.9 4.5 12 12 A E E -A 17 0A 122 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.676 51.7-166.5 -79.4 120.0 18.1 -7.4 4.4 13 13 A G - 0 0 14 3,-3.1 -1,-0.0 -2,-0.5 4,-0.0 -0.013 43.2 -81.9 -83.6-162.8 18.6 -5.6 7.7 14 14 A T S S+ 0 0 63 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 0.932 125.3 15.2 -71.5 -45.2 20.8 -2.4 8.1 15 15 A Y S S- 0 0 158 1,-0.2 21,-0.9 21,-0.0 2,-0.3 0.179 132.3 -20.0-118.7 16.2 24.1 -4.2 8.3 16 16 A G E S- B 0 35A 7 19,-0.2 -3,-3.1 20,-0.1 2,-0.3 -0.970 82.9 -50.2 164.7-177.1 23.3 -7.7 7.0 17 17 A V E -AB 12 34A 13 17,-0.9 17,-2.6 -2,-0.3 2,-0.5 -0.602 42.0-147.4 -87.0 138.4 20.8 -10.4 6.3 18 18 A V E -AB 11 33A 24 -7,-3.0 -8,-2.8 -2,-0.3 -7,-1.5 -0.911 17.4-172.7-107.2 131.2 18.3 -11.5 9.0 19 19 A Y E -AB 9 32A 43 13,-2.7 13,-3.1 -2,-0.5 2,-0.5 -0.924 29.6-124.6-120.8 146.6 17.1 -15.1 9.1 20 20 A K E +AB 8 31A 42 -12,-3.1 -13,-3.0 -2,-0.4 -12,-1.9 -0.821 50.7 169.9 -79.3 127.3 14.4 -16.9 11.1 21 21 A A E -AB 6 30A 2 9,-2.5 9,-2.6 -2,-0.5 2,-0.4 -0.880 30.5-132.6-140.4 163.0 16.5 -19.7 12.6 22 22 A R E -AB 5 29A 89 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.6 -0.987 19.4-126.5-125.7 135.7 16.3 -22.4 15.3 23 23 A N E > -A 4 0A 29 5,-2.9 4,-2.8 -2,-0.4 -19,-0.2 -0.707 19.3-147.3 -80.0 120.8 18.7 -23.3 18.1 24 24 A K T 4 S+ 0 0 136 -21,-2.6 -1,-0.1 -2,-0.6 -20,-0.1 0.754 91.3 38.8 -66.4 -31.1 19.6 -27.0 17.8 25 25 A L T 4 S+ 0 0 165 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.939 129.0 27.1 -81.5 -53.7 20.0 -27.7 21.5 26 26 A T T 4 S- 0 0 83 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.807 93.0-129.4 -80.9 -32.0 17.2 -25.6 23.0 27 27 A G < + 0 0 43 -4,-2.8 -3,-0.1 1,-0.3 2,-0.1 0.482 50.2 159.7 88.2 5.2 14.7 -25.5 20.1 28 28 A E - 0 0 87 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.5 -0.365 36.1-141.4 -60.1 132.7 14.5 -21.7 20.5 29 29 A V E +B 22 0A 59 -7,-0.2 45,-0.5 -3,-0.1 2,-0.3 -0.878 36.6 162.6 -97.2 129.6 13.2 -19.9 17.4 30 30 A V E -BC 21 73A 0 -9,-2.6 -9,-2.5 -2,-0.5 2,-0.6 -0.842 44.4-111.2-138.6 171.2 15.1 -16.7 16.9 31 31 A A E -BC 20 72A 10 41,-2.4 41,-3.2 -2,-0.3 2,-0.6 -0.972 35.3-159.5-108.5 118.3 16.0 -14.0 14.3 32 32 A L E -BC 19 71A 2 -13,-3.1 -13,-2.7 -2,-0.6 2,-0.6 -0.889 4.8-159.1-106.5 120.7 19.6 -14.3 13.4 33 33 A K E -BC 18 70A 11 37,-3.1 37,-2.5 -2,-0.6 2,-0.7 -0.879 5.0-158.0 -98.9 116.4 21.4 -11.3 11.9 34 34 A K E -BC 17 69A 68 -17,-2.6 -17,-0.9 -2,-0.6 2,-0.5 -0.836 6.2-158.1 -95.7 110.0 24.6 -12.2 10.0 35 35 A I E -BC 16 68A 23 33,-2.9 33,-1.2 -2,-0.7 -19,-0.2 -0.788 2.0-161.3 -92.1 126.8 26.9 -9.1 9.8 36 36 A R 0 0 166 -21,-0.9 -1,-0.1 -2,-0.5 -20,-0.1 0.918 360.0 360.0 -82.2 -44.7 29.3 -9.5 6.9 37 37 A L 0 0 137 -22,-0.3 -1,-0.1 30,-0.1 -21,-0.0 0.637 360.0 360.0 66.4 360.0 32.2 -7.1 7.5 38 ! 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 39 47 A T > 0 0 132 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -14.9 35.1 -0.6 19.3 40 48 A A H > + 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.859 360.0 58.1 -64.3 -36.9 31.9 -1.8 17.5 41 49 A I H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 107.9 47.0 -60.0 -38.5 32.1 -5.0 19.6 42 50 A R H > S+ 0 0 181 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.872 110.1 52.8 -69.1 -38.8 32.0 -2.8 22.7 43 51 A E H X S+ 0 0 120 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.903 110.9 46.2 -62.2 -43.8 29.0 -0.8 21.2 44 52 A I H X S+ 0 0 18 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.898 106.6 58.8 -68.1 -41.9 27.0 -4.0 20.6 45 53 A S H < S+ 0 0 51 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.844 107.9 47.6 -50.9 -38.0 27.9 -5.2 24.1 46 54 A L H >< S+ 0 0 114 -4,-1.4 3,-0.9 1,-0.2 4,-0.4 0.846 106.0 57.0 -74.3 -35.5 26.2 -2.0 25.4 47 55 A L H >< S+ 0 0 25 -4,-1.5 3,-1.1 1,-0.2 11,-0.2 0.814 97.0 64.1 -63.0 -33.0 23.1 -2.6 23.1 48 56 A K T 3< S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 101.0 51.6 -61.6 -28.9 22.6 -6.0 24.7 49 57 A E T < S+ 0 0 152 -3,-0.9 2,-2.1 -4,-0.4 -1,-0.3 0.613 82.5 97.4 -81.5 -15.8 22.0 -4.1 28.0 50 58 A L < + 0 0 15 -3,-1.1 2,-0.5 -4,-0.4 8,-0.2 -0.485 58.1 168.6 -78.1 77.1 19.3 -1.9 26.4 51 59 A N + 0 0 78 -2,-2.1 5,-0.1 6,-0.1 6,-0.1 -0.820 6.5 142.3-104.6 129.3 16.3 -3.9 27.5 52 60 A H > - 0 0 42 -2,-0.5 3,-1.9 3,-0.4 54,-0.0 -0.977 57.7-113.2-158.6 146.3 12.7 -2.8 27.3 53 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.730 118.0 49.0 -56.2 -22.5 9.3 -4.4 26.5 54 62 A N T 3 S+ 0 0 9 80,-0.1 81,-3.0 48,-0.1 2,-0.4 0.090 97.5 79.0-109.9 23.2 9.2 -2.3 23.2 55 63 A I B < S-e 135 0B 9 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.999 90.5-110.9-123.9 128.8 12.7 -3.1 21.9 56 64 A V - 0 0 12 79,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.386 45.0-109.3 -56.3 128.8 13.3 -6.4 20.2 57 65 A K - 0 0 89 -4,-0.1 16,-2.6 -2,-0.1 2,-0.9 -0.486 17.2-144.7 -71.3 125.3 15.5 -8.4 22.6 58 66 A L E -D 72 0A 6 -2,-0.3 14,-0.2 -11,-0.2 3,-0.1 -0.823 23.3-179.7 -82.8 108.7 19.2 -8.9 21.7 59 67 A L E - 0 0 43 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.942 55.9 -3.9 -79.9 -50.1 19.6 -12.4 23.1 60 68 A D E -D 71 0A 99 11,-1.7 11,-3.0 2,-0.0 2,-0.5 -0.996 50.5-145.4-149.2 149.8 23.3 -13.2 22.2 61 69 A V E -D 70 0A 35 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.978 16.7-164.5-115.7 121.0 26.3 -11.8 20.4 62 70 A I E -D 69 0A 37 7,-3.0 7,-2.3 -2,-0.5 2,-0.8 -0.914 7.7-178.1-112.9 107.5 28.5 -14.3 18.7 63 71 A H E +D 68 0A 103 -2,-0.7 2,-0.4 5,-0.2 5,-0.2 -0.872 23.8 145.9-104.7 95.3 31.9 -13.0 17.7 64 72 A T - 0 0 71 3,-1.4 2,-0.2 -2,-0.8 -2,-0.1 -0.898 60.7 -32.8-138.8 104.6 33.6 -15.9 16.0 65 73 A E S S- 0 0 157 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.594 115.1 -29.7 94.7-152.5 36.0 -15.2 13.1 66 74 A N S S+ 0 0 118 -2,-0.2 2,-0.4 -3,-0.0 -1,-0.2 -0.143 124.1 97.7 -81.9 32.2 35.7 -12.4 10.5 67 75 A K - 0 0 79 2,-0.0 -3,-1.4 -30,-0.0 2,-0.4 -0.980 54.7-170.7-136.5 136.8 32.1 -13.0 11.4 68 76 A L E -CD 35 63A 9 -33,-1.2 -33,-2.9 -2,-0.4 2,-0.4 -0.996 8.0-173.3-129.0 124.6 29.5 -11.4 13.8 69 77 A Y E -CD 34 62A 24 -7,-2.3 -7,-3.0 -2,-0.4 2,-0.5 -0.975 8.8-157.7-121.6 133.5 26.1 -12.9 14.4 70 78 A L E -CD 33 61A 7 -37,-2.5 -37,-3.1 -2,-0.4 2,-0.7 -0.963 6.5-154.7-113.9 119.1 23.4 -11.2 16.4 71 79 A V E +CD 32 60A 4 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.7 -0.854 23.9 176.4 -98.7 113.4 20.8 -13.5 17.9 72 80 A F E -CD 31 58A 30 -41,-3.2 -41,-2.4 -2,-0.7 -14,-0.2 -0.735 37.5 -91.6-113.7 161.4 17.6 -11.6 18.5 73 81 A E E -C 30 0A 47 -16,-2.6 2,-0.4 -2,-0.3 -43,-0.2 -0.418 46.5-127.5 -59.9 143.8 14.1 -12.4 19.7 74 82 A F - 0 0 38 -45,-0.5 2,-0.3 -2,-0.1 -45,-0.1 -0.842 21.9-169.4 -99.2 136.0 11.8 -13.4 16.7 75 83 A L - 0 0 14 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.947 23.5-131.3-120.8 150.7 8.4 -11.7 16.1 76 84 A H S S+ 0 0 109 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.679 78.7 21.2 -77.6 -18.8 5.9 -13.0 13.5 77 85 A Q E -F 127 0B 12 50,-1.2 50,-2.9 196,-0.0 2,-0.3 -0.995 60.6-136.6-150.0 148.6 5.0 -9.8 11.6 78 86 A D E > -F 126 0B 44 -2,-0.3 4,-1.8 48,-0.2 48,-0.2 -0.707 32.9-113.1 -99.4 160.0 6.2 -6.3 10.7 79 87 A L H > S+ 0 0 0 46,-2.9 4,-3.5 43,-0.9 5,-0.2 0.834 113.6 59.2 -60.6 -35.9 4.0 -3.2 10.7 80 88 A K H > S+ 0 0 58 42,-1.2 4,-3.2 45,-0.3 -1,-0.2 0.937 107.6 46.2 -58.3 -46.9 4.2 -2.8 6.9 81 89 A K H > S+ 0 0 121 2,-0.2 4,-2.7 41,-0.2 -1,-0.2 0.913 114.7 48.3 -61.0 -44.2 2.7 -6.3 6.3 82 90 A F H X S+ 0 0 9 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.955 111.9 47.8 -63.5 -52.5 0.1 -5.5 8.9 83 91 A M H >< S+ 0 0 19 -4,-3.5 3,-0.6 2,-0.2 4,-0.3 0.928 112.9 50.4 -48.9 -51.3 -0.7 -2.1 7.3 84 92 A D H >< S+ 0 0 92 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.914 111.7 46.7 -56.7 -45.1 -0.8 -3.8 3.9 85 93 A A H 3< S+ 0 0 83 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.695 115.3 47.9 -69.0 -19.0 -3.2 -6.5 5.2 86 94 A S T XX S+ 0 0 16 -4,-1.4 4,-3.8 -3,-0.6 3,-0.7 0.315 78.5 108.7-101.3 5.2 -5.4 -3.8 6.8 87 95 A A T <4 S+ 0 0 49 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.616 71.8 56.2 -68.5 -16.7 -5.6 -1.5 3.8 88 96 A L T 34 S+ 0 0 169 -3,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.867 128.3 14.2 -80.1 -38.4 -9.3 -2.1 3.0 89 97 A T T <4 S- 0 0 117 -3,-0.7 -2,-0.2 3,-0.0 -1,-0.1 0.677 104.1-127.4-103.9 -30.8 -10.6 -1.1 6.4 90 98 A G < - 0 0 11 -4,-3.8 -3,-0.1 -7,-0.2 84,-0.1 0.213 39.0 -66.1 83.7 146.0 -7.6 0.7 7.9 91 99 A I - 0 0 13 82,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.477 65.6-101.2 -61.2 132.2 -6.1 -0.2 11.3 92 100 A P >> - 0 0 77 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.328 28.3-119.5 -57.1 139.3 -8.7 0.7 14.0 93 101 A L H 3> S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.820 112.3 55.6 -50.1 -44.1 -7.9 4.0 15.8 94 102 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 173,-0.4 0.874 110.1 47.0 -59.8 -35.4 -7.5 2.4 19.2 95 103 A L H <> S+ 0 0 6 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.880 111.4 50.3 -71.7 -38.3 -4.9 0.0 17.8 96 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.934 112.3 48.6 -58.6 -46.6 -3.1 2.9 16.0 97 105 A K H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 111.3 48.9 -64.2 -44.5 -3.1 4.8 19.4 98 106 A S H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.917 112.5 47.6 -58.6 -47.9 -1.8 1.8 21.3 99 107 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 113.4 48.3 -63.2 -44.3 1.0 1.2 18.8 100 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 112.3 48.9 -58.6 -49.6 2.0 4.9 18.8 101 109 A F H X S+ 0 0 52 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.902 112.2 47.9 -57.9 -45.3 2.0 5.0 22.6 102 110 A Q H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 111.5 49.9 -67.8 -40.3 4.1 1.9 22.9 103 111 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.877 108.2 53.0 -64.9 -37.8 6.7 3.1 20.4 104 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.845 109.2 50.8 -65.2 -31.7 6.9 6.5 22.2 105 113 A Q H X S+ 0 0 66 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.929 111.0 47.0 -67.9 -46.9 7.6 4.5 25.4 106 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 115.8 45.8 -59.0 -44.2 10.4 2.5 23.6 107 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.881 107.9 54.8 -70.2 -41.5 11.9 5.7 22.2 108 116 A A H X S+ 0 0 19 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.908 111.7 47.7 -56.0 -42.2 11.7 7.6 25.4 109 117 A F H X S+ 0 0 53 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.960 114.8 43.5 -61.5 -56.0 13.7 4.7 26.9 110 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-1.0 0.928 114.9 50.3 -49.2 -52.2 16.3 4.7 24.0 111 119 A H H ><5S+ 0 0 13 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.838 102.3 59.4 -63.8 -35.1 16.5 8.4 24.1 112 120 A S H 3<5S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.765 108.9 46.5 -65.4 -23.6 17.1 8.5 27.8 113 121 A H T <<5S- 0 0 102 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.194 120.5-111.5 -98.8 14.8 20.2 6.4 27.2 114 122 A R T < 5S+ 0 0 164 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.811 73.5 139.0 54.4 35.3 21.3 8.6 24.3 115 123 A V < - 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