==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-AUG-07 2R3M . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.O.FISCHMANN,A.W.HRUZA,V.M.MADISON,J.S.DUCA . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 63.1 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 . 37 13.3 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 . 19 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.5 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 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 . 0 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 38 0, 0.0 3,-2.9 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -35.5 -13.1 30.6 -3.1 2 2 A E T 3 + 0 0 147 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.607 360.0 71.4 -59.4 -8.2 -13.0 30.5 -6.9 3 3 A N T 3 S+ 0 0 65 20,-0.1 21,-3.0 21,-0.1 22,-0.5 0.566 93.2 68.6 -82.6 -10.4 -10.7 33.5 -6.5 4 4 A F E < -A 23 0A 23 -3,-2.9 2,-0.6 19,-0.2 19,-0.2 -0.900 63.5-152.1-120.3 144.2 -7.9 31.2 -5.1 5 5 A Q E -A 22 0A 96 17,-2.7 17,-2.4 -2,-0.4 2,-0.4 -0.940 25.3-132.1-109.4 118.5 -5.7 28.5 -6.5 6 6 A K E +A 21 0A 95 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.585 25.8 178.4 -73.4 124.2 -4.6 26.0 -3.9 7 7 A V E - 0 0 60 13,-3.6 2,-0.3 -2,-0.4 14,-0.2 0.818 61.0 -30.2 -93.2 -42.8 -0.8 25.4 -4.2 8 8 A E E -A 20 0A 106 12,-1.5 12,-3.4 0, 0.0 2,-0.8 -0.950 58.7 -99.1-173.5 154.2 -0.3 23.0 -1.4 9 9 A K E -A 19 0A 118 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.753 32.9-175.5 -83.8 110.5 -1.6 21.8 2.0 10 10 A I E - 0 0 54 8,-1.7 2,-0.2 -2,-0.8 9,-0.2 0.426 57.0 -47.9 -89.7 2.7 0.7 23.4 4.6 11 11 A G E -A 18 0A 20 7,-1.0 7,-3.2 2,-0.0 2,-0.8 -0.800 52.8 -86.4 150.2 167.9 -0.8 21.7 7.6 12 12 A E E -A 17 0A 112 -2,-0.2 5,-0.2 5,-0.2 7,-0.0 -0.854 42.2-164.7-110.1 95.8 -3.8 20.8 9.6 13 13 A G - 0 0 25 3,-1.6 5,-0.0 -2,-0.8 -2,-0.0 0.063 40.4 -92.4 -63.7-174.8 -4.7 23.6 11.9 14 14 A T S S+ 0 0 62 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 0.821 124.8 32.8 -71.9 -30.9 -7.1 23.0 14.8 15 15 A Y S S- 0 0 89 1,-0.3 2,-0.3 20,-0.0 -1,-0.2 0.647 129.0 -36.8-102.6 -18.7 -10.1 24.0 12.8 16 16 A G S S- 0 0 20 19,-0.2 -3,-1.6 -5,-0.0 -1,-0.3 -0.983 78.3 -49.6 177.7-176.8 -9.3 22.8 9.3 17 17 A V E -A 12 0A 21 -2,-0.3 17,-2.1 -5,-0.2 2,-0.5 -0.471 45.4-143.3 -76.3 147.1 -6.6 22.4 6.7 18 18 A V E -AB 11 33A 27 -7,-3.2 -8,-1.7 15,-0.2 -7,-1.0 -0.958 20.2-166.3-111.6 131.7 -4.4 25.4 5.9 19 19 A Y E -AB 9 32A 47 13,-2.7 13,-3.4 -2,-0.5 2,-0.5 -0.916 24.6-129.7-120.3 151.2 -3.4 25.8 2.3 20 20 A K E +AB 8 31A 45 -12,-3.4 -13,-3.6 -2,-0.4 -12,-1.5 -0.817 47.3 174.1 -90.1 131.1 -0.8 27.9 0.5 21 21 A A E -AB 6 30A 0 9,-3.1 9,-2.7 -2,-0.5 2,-0.4 -0.931 31.5-132.7-140.7 166.2 -2.7 29.6 -2.2 22 22 A R E -AB 5 29A 95 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.7 -0.976 25.0-123.2-124.3 130.7 -2.6 32.1 -5.0 23 23 A N E > -A 4 0A 23 5,-3.2 4,-2.2 -2,-0.4 -19,-0.2 -0.616 22.2-143.0 -69.5 109.9 -5.1 34.9 -5.6 24 24 A K T 4 S+ 0 0 125 -21,-3.0 -1,-0.2 -2,-0.7 -20,-0.1 0.703 94.3 35.9 -51.2 -18.6 -6.1 34.1 -9.2 25 25 A L T 4 S+ 0 0 131 -22,-0.5 -1,-0.1 3,-0.1 -21,-0.0 0.886 124.6 29.1 -97.9 -75.9 -6.3 37.8 -9.8 26 26 A T T 4 S- 0 0 101 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.607 94.1-128.5 -64.2 -14.2 -3.6 39.8 -7.9 27 27 A G < + 0 0 37 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.377 53.6 158.7 79.0 -6.0 -1.2 36.9 -8.0 28 28 A E - 0 0 96 -6,-0.1 -5,-3.2 -5,-0.1 2,-0.4 -0.210 37.5-137.3 -52.8 135.2 -0.9 37.4 -4.2 29 29 A V E +B 22 0A 59 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.840 37.0 160.0 -99.2 130.4 0.4 34.3 -2.4 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-3.1 -2,-0.4 2,-0.5 -0.868 44.5-106.9-142.4 173.4 -1.5 33.7 0.8 31 31 A A E -BC 20 73A 10 42,-2.6 42,-3.2 -2,-0.3 2,-0.6 -0.954 33.5-158.4-107.4 126.0 -2.3 31.1 3.5 32 32 A L E -BC 19 72A 4 -13,-3.4 -13,-2.7 -2,-0.5 2,-0.5 -0.936 3.6-163.4-111.4 116.2 -6.0 30.0 3.2 33 33 A K E -BC 18 71A 2 38,-3.1 38,-2.8 -2,-0.6 2,-0.7 -0.879 6.4-154.5-101.6 125.3 -7.6 28.5 6.3 34 34 A K E C 0 70A 77 -17,-2.1 36,-0.2 -2,-0.5 -17,-0.2 -0.883 360.0 360.0 -98.8 110.8 -10.8 26.5 5.8 35 35 A I 0 0 64 34,-2.8 34,-0.7 -2,-0.7 -19,-0.2 -0.743 360.0 360.0 -85.9 360.0 -12.7 26.6 9.1 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 44 A V 0 0 60 0, 0.0 5,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 122.4 -21.3 29.4 10.7 38 45 A P >> - 0 0 84 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.241 360.0-129.9 -53.8 135.6 -22.6 30.7 14.1 39 46 A S H 3> S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.699 105.2 64.9 -62.8 -21.3 -22.9 34.5 14.0 40 47 A T H 3> S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 102.2 47.7 -68.2 -42.4 -20.9 34.8 17.2 41 48 A A H <> S+ 0 0 33 -3,-0.6 4,-3.1 1,-0.2 5,-0.3 0.951 108.5 56.4 -60.7 -48.5 -17.8 33.4 15.5 42 49 A I H X S+ 0 0 41 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.881 109.5 43.0 -51.6 -49.7 -18.3 35.8 12.5 43 50 A R H X S+ 0 0 167 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.851 115.3 50.1 -68.8 -34.4 -18.3 39.0 14.6 44 51 A E H X S+ 0 0 47 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.909 114.2 43.9 -70.0 -43.1 -15.3 37.7 16.7 45 52 A I H >X S+ 0 0 15 -4,-3.1 3,-1.4 1,-0.2 4,-0.8 0.932 109.3 55.8 -68.3 -43.2 -13.3 36.8 13.7 46 53 A S H 3< S+ 0 0 44 -4,-2.6 3,-0.5 -5,-0.3 4,-0.3 0.812 102.5 59.6 -57.5 -28.3 -14.2 40.1 11.9 47 54 A L H >< S+ 0 0 107 -4,-1.0 3,-1.2 1,-0.2 4,-0.5 0.806 95.6 61.8 -68.2 -32.2 -12.8 41.8 15.0 48 55 A L H X< S+ 0 0 15 -3,-1.4 3,-1.0 -4,-0.8 11,-0.3 0.782 86.1 73.6 -67.4 -26.2 -9.4 40.1 14.4 49 56 A K T 3< S+ 0 0 80 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.728 100.2 46.0 -59.2 -23.3 -9.1 41.9 11.0 50 57 A E T < S+ 0 0 165 -3,-1.2 2,-2.2 -4,-0.3 -1,-0.3 0.602 85.8 93.2 -95.2 -15.3 -8.4 45.1 13.0 51 58 A L < + 0 0 16 -3,-1.0 2,-0.5 -4,-0.5 -1,-0.1 -0.494 61.4 167.8 -78.9 71.1 -5.9 43.5 15.5 52 59 A N + 0 0 73 -2,-2.2 5,-0.1 6,-0.1 6,-0.1 -0.792 7.3 144.7 -98.9 130.0 -2.9 44.5 13.3 53 60 A H > - 0 0 44 -2,-0.5 3,-1.9 3,-0.4 54,-0.0 -0.983 55.5-114.3-155.7 149.7 0.8 44.2 14.5 54 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.737 117.4 49.0 -62.2 -21.3 4.1 43.4 12.9 55 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.099 97.8 79.7-107.0 24.6 4.4 40.3 15.1 56 63 A I B < S-e 136 0B 10 -3,-1.9 -3,-0.4 79,-0.3 2,-0.2 -0.997 91.7-110.9-128.4 126.9 0.9 39.0 14.4 57 64 A V - 0 0 9 79,-2.9 2,-0.2 -2,-0.4 82,-0.1 -0.462 43.9-112.4 -60.6 123.2 0.2 37.1 11.2 58 65 A K - 0 0 87 -2,-0.2 16,-2.5 -4,-0.1 2,-0.7 -0.435 18.0-145.4 -66.3 128.1 -2.0 39.5 9.1 59 66 A L E -D 73 0A 10 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.840 19.7-177.3 -90.1 112.9 -5.6 38.4 8.6 60 67 A L E - 0 0 36 12,-3.0 2,-0.3 -2,-0.7 13,-0.2 0.898 56.8 -11.9 -82.2 -44.2 -6.3 39.7 5.1 61 68 A D E -D 72 0A 93 11,-1.6 11,-3.0 2,-0.0 2,-0.5 -0.997 49.7-137.0-158.4 155.4 -9.9 38.8 4.6 62 69 A V E -D 71 0A 30 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.963 21.6-165.8-115.7 127.5 -12.7 36.7 5.9 63 70 A I E -D 70 0A 35 7,-2.9 7,-3.2 -2,-0.5 2,-0.6 -0.946 6.6-175.7-121.1 115.2 -14.8 34.8 3.4 64 71 A H E +D 69 0A 79 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.926 21.9 148.6-110.8 115.0 -18.2 33.3 4.3 65 72 A T E > +D 68 0A 57 3,-2.2 3,-2.7 -2,-0.6 -2,-0.0 -0.999 60.9 3.6-148.1 147.8 -19.9 31.3 1.6 66 73 A E T 3 S- 0 0 192 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.811 130.7 -59.5 49.1 30.5 -22.2 28.3 1.3 67 74 A N T 3 S+ 0 0 137 1,-0.3 -1,-0.3 -30,-0.1 2,-0.3 0.824 116.5 126.1 66.0 30.6 -22.2 28.4 5.0 68 75 A K E < - D 0 65A 56 -3,-2.7 -3,-2.2 -31,-0.1 2,-0.5 -0.845 51.7-143.9-118.0 153.9 -18.5 27.9 4.8 69 76 A L E - D 0 64A 5 -34,-0.7 -34,-2.8 -2,-0.3 2,-0.5 -0.960 15.3-179.0-126.8 119.9 -15.7 30.1 6.4 70 77 A Y E -CD 34 63A 28 -7,-3.2 -7,-2.9 -2,-0.5 2,-0.5 -0.960 11.6-156.8-119.3 128.1 -12.3 30.8 4.8 71 78 A L E -CD 33 62A 0 -38,-2.8 -38,-3.1 -2,-0.5 2,-0.7 -0.895 6.6-154.7-105.1 125.2 -9.7 32.9 6.4 72 79 A V E +CD 32 61A 4 -11,-3.0 -12,-3.0 -2,-0.5 -11,-1.6 -0.887 22.6 175.5-103.0 115.1 -7.1 34.6 4.1 73 80 A F E -CD 31 59A 22 -42,-3.2 -42,-2.6 -2,-0.7 -14,-0.2 -0.795 38.9 -92.3-116.9 163.2 -3.8 35.3 5.9 74 81 A E E -C 30 0A 49 -16,-2.5 2,-0.4 -2,-0.3 -44,-0.2 -0.396 51.3-119.9 -65.4 143.5 -0.4 36.6 5.0 75 82 A F - 0 0 34 -46,-0.6 2,-0.4 -54,-0.1 -1,-0.1 -0.801 28.2-173.7 -95.8 135.1 1.8 33.6 4.1 76 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 52,-0.0 -0.985 22.0-138.3-125.5 137.8 5.0 32.8 6.0 77 84 A H S S+ 0 0 105 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.652 75.3 21.8 -72.0 -22.6 7.3 30.0 4.8 78 85 A Q E -F 128 0B 32 50,-1.1 50,-2.4 203,-0.1 2,-0.3 -0.977 60.0-140.7-146.9 159.0 8.2 28.3 8.0 79 86 A D E > -F 127 0B 20 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.778 33.0-109.8-115.7 164.0 7.2 27.7 11.6 80 87 A L H > S+ 0 0 0 46,-2.7 4,-2.8 43,-1.0 5,-0.2 0.766 113.6 60.1 -63.8 -30.7 9.3 27.6 14.8 81 88 A K H > S+ 0 0 100 42,-0.8 4,-2.5 45,-0.3 -1,-0.2 0.977 109.2 41.6 -63.2 -51.5 8.7 23.8 15.2 82 89 A K H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.900 115.4 51.9 -61.9 -39.7 10.3 23.0 11.9 83 90 A F H X S+ 0 0 9 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.907 109.9 47.9 -65.1 -42.1 13.1 25.6 12.6 84 91 A M H < S+ 0 0 24 -4,-2.8 3,-0.3 2,-0.2 -1,-0.2 0.916 111.4 50.8 -64.8 -40.1 13.8 24.1 15.9 85 92 A D H >< S+ 0 0 104 -4,-2.5 3,-1.2 1,-0.2 4,-0.2 0.920 111.8 48.9 -59.7 -43.7 13.9 20.6 14.4 86 93 A A H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.694 112.6 46.6 -68.9 -23.8 16.3 22.0 11.8 87 94 A S T 3X S+ 0 0 19 -4,-1.3 4,-3.4 -3,-0.3 3,-0.3 0.157 81.1 112.8-103.5 15.0 18.5 23.6 14.4 88 95 A A T <4 S+ 0 0 46 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.891 70.5 51.3 -54.5 -51.2 18.6 20.5 16.5 89 96 A L T 4 S+ 0 0 167 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.846 130.6 14.7 -60.1 -37.2 22.2 19.5 16.1 90 97 A T T 4 S- 0 0 112 -3,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.591 103.3-126.6-115.5 -16.5 23.6 22.9 17.1 91 98 A G < - 0 0 9 -4,-3.4 -3,-0.1 -7,-0.2 89,-0.1 0.388 36.4 -67.0 79.0 143.2 20.7 24.7 18.7 92 99 A I - 0 0 13 87,-0.4 5,-0.1 1,-0.1 90,-0.0 -0.445 63.8-103.8 -63.2 130.2 19.3 28.1 17.8 93 100 A P >> - 0 0 77 0, 0.0 4,-2.5 0, 0.0 3,-1.1 -0.299 25.3-121.6 -58.3 138.0 21.8 30.8 18.7 94 101 A L H 3> S+ 0 0 64 1,-0.3 4,-3.3 2,-0.2 5,-0.2 0.851 111.8 56.7 -48.8 -45.1 21.0 32.6 22.0 95 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.7 0, 0.0 178,-0.4 0.862 111.2 44.4 -56.6 -36.4 20.9 36.0 20.2 96 103 A L H <> S+ 0 0 7 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.883 112.6 50.8 -74.2 -43.4 18.2 34.6 17.8 97 104 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.939 112.4 48.3 -56.1 -47.7 16.3 33.0 20.7 98 105 A K H X S+ 0 0 12 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.888 110.9 49.5 -62.2 -41.0 16.4 36.3 22.5 99 106 A S H X S+ 0 0 4 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.938 112.0 48.7 -64.4 -44.1 15.2 38.2 19.4 100 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.934 112.0 48.0 -61.9 -45.9 12.3 35.8 18.9 101 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.903 111.4 51.2 -61.7 -40.9 11.2 35.9 22.5 102 109 A F H X S+ 0 0 55 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.931 111.8 46.3 -62.6 -46.7 11.4 39.8 22.5 103 110 A Q H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.890 112.2 50.6 -63.3 -44.2 9.2 40.0 19.3 104 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.893 108.5 52.1 -64.1 -37.0 6.7 37.5 20.6 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.882 108.7 51.2 -65.2 -37.0 6.4 39.5 23.9 106 113 A Q H X S+ 0 0 63 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.932 110.7 48.9 -62.4 -46.9 5.8 42.6 21.8 107 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 114.8 44.1 -57.7 -47.2 3.0 40.8 19.9 108 115 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.899 109.1 56.6 -65.3 -42.9 1.5 39.5 23.1 109 116 A A H X S+ 0 0 22 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.935 111.0 46.1 -54.0 -43.5 1.8 43.0 24.8 110 117 A F H X S+ 0 0 47 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.955 115.5 42.8 -63.8 -56.0 -0.2 44.3 21.8 111 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-1.3 0.932 114.9 50.8 -56.3 -48.9 -3.0 41.7 21.9 112 119 A H H ><5S+ 0 0 20 -4,-3.3 3,-2.1 1,-0.3 -1,-0.2 0.859 102.8 59.3 -60.0 -36.3 -3.2 41.7 25.6 113 120 A S H 3<5S+ 0 0 84 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.708 108.0 47.6 -66.0 -18.0 -3.6 45.5 25.6 114 121 A H T <<5S- 0 0 112 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.188 120.5-113.4-105.3 15.0 -6.6 44.9 23.5 115 122 A R T < 5S+ 0 0 177 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.819 72.5 137.8 58.1 33.0 -7.9 42.3 25.9 116 123 A V < - 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