==== 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 2R3H . 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 . 289 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.7 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 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 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 53 0, 0.0 3,-2.3 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -19.1 -13.1 30.5 -3.3 2 2 A E T 3 + 0 0 146 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.601 360.0 68.5 -64.6 -6.9 -13.1 30.6 -7.1 3 3 A N T 3 S+ 0 0 60 20,-0.1 21,-3.5 21,-0.1 22,-0.5 0.526 94.7 67.9 -88.6 -6.2 -10.7 33.5 -6.7 4 4 A F E < -A 23 0A 22 -3,-2.3 2,-0.6 19,-0.3 19,-0.2 -0.912 63.3-151.2-121.6 147.1 -7.9 31.2 -5.4 5 5 A Q E -A 22 0A 109 17,-2.8 17,-2.2 -2,-0.4 2,-0.2 -0.945 25.0-132.3-114.7 112.1 -5.7 28.4 -6.8 6 6 A K E +A 21 0A 104 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.481 26.0 179.0 -65.3 127.0 -4.7 25.9 -4.2 7 7 A V E - 0 0 59 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.807 59.4 -32.6 -97.5 -42.1 -0.9 25.3 -4.6 8 8 A E E -A 20 0A 107 12,-1.5 12,-3.6 0, 0.0 2,-0.5 -0.949 60.7 -96.1-173.9 156.9 -0.3 22.8 -1.8 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.740 29.0-173.7 -84.8 124.9 -1.4 21.7 1.7 10 10 A I E - 0 0 68 8,-2.2 2,-0.2 -2,-0.5 9,-0.2 0.041 59.9 -51.0-109.0 27.3 0.8 23.2 4.3 11 11 A G E -A 18 0A 30 7,-0.5 7,-3.3 2,-0.0 2,-0.6 -0.538 53.9 -90.8 128.0 165.4 -0.6 21.4 7.3 12 12 A E E -A 17 0A 71 5,-0.3 5,-0.3 -2,-0.2 140,-0.1 -0.917 43.3-156.2-115.8 101.4 -3.9 20.6 9.0 13 13 A G - 0 0 17 3,-1.5 139,-0.3 -2,-0.6 138,-0.1 0.166 33.7 -94.3 -61.3-171.5 -4.7 23.3 11.6 14 14 A T S S+ 0 0 10 1,-0.2 137,-1.2 136,-0.1 138,-0.2 0.885 125.6 35.4 -74.4 -40.6 -6.9 22.7 14.6 15 15 A Y S S- 0 0 17 1,-0.2 2,-0.3 135,-0.2 -1,-0.2 0.376 132.3 -42.5 -97.6 3.0 -10.0 24.1 12.9 16 16 A G S S- 0 0 0 19,-0.3 -3,-1.5 2,-0.0 2,-0.2 -0.962 76.8 -48.2 159.4-176.9 -9.2 22.7 9.4 17 17 A V E -A 12 0A 17 17,-0.3 17,-2.6 -5,-0.3 2,-0.4 -0.597 45.7-144.4 -85.3 145.8 -6.7 22.1 6.7 18 18 A V E -AB 11 33A 24 -7,-3.3 -8,-2.2 -2,-0.2 -7,-0.5 -0.933 16.5-170.1-113.7 134.8 -4.4 25.0 5.6 19 19 A Y E -AB 9 32A 64 13,-2.6 13,-3.2 -2,-0.4 2,-0.5 -0.951 26.5-126.5-123.7 148.0 -3.3 25.4 2.0 20 20 A K E +AB 8 31A 46 -12,-3.6 -13,-3.4 -2,-0.4 -12,-1.5 -0.762 47.5 175.3 -82.9 132.5 -0.8 27.6 0.3 21 21 A A E -AB 6 30A 0 9,-2.9 9,-3.0 -2,-0.5 2,-0.5 -0.951 30.1-134.2-142.9 161.6 -2.8 29.3 -2.4 22 22 A R E -AB 5 29A 114 -17,-2.2 -17,-2.8 -2,-0.3 2,-0.5 -0.965 25.5-121.5-119.5 130.1 -2.5 31.9 -5.1 23 23 A N E > -A 4 0A 24 5,-3.2 4,-1.8 -2,-0.5 -19,-0.3 -0.587 22.1-141.0 -66.5 116.2 -5.1 34.7 -5.7 24 24 A K T 4 S+ 0 0 107 -21,-3.5 -1,-0.2 -2,-0.5 -20,-0.1 0.722 95.5 32.9 -53.9 -21.7 -6.2 34.0 -9.3 25 25 A L T 4 S+ 0 0 129 -22,-0.5 -1,-0.1 3,-0.1 -21,-0.0 0.855 126.3 29.5 -97.8 -79.7 -6.2 37.8 -9.8 26 26 A T T 4 S- 0 0 100 1,-0.1 -2,-0.1 2,-0.0 3,-0.1 0.709 93.1-133.3 -56.7 -21.8 -3.6 39.7 -7.8 27 27 A G < + 0 0 35 -4,-1.8 -1,-0.1 1,-0.3 -3,-0.1 0.452 50.3 158.3 79.4 -0.8 -1.3 36.7 -8.0 28 28 A E - 0 0 96 -6,-0.1 -5,-3.2 1,-0.1 2,-0.5 -0.263 39.5-133.2 -56.6 137.1 -0.8 37.2 -4.2 29 29 A V E +B 22 0A 56 -7,-0.2 45,-0.6 -3,-0.1 2,-0.3 -0.855 38.5 162.4 -98.0 129.9 0.4 34.0 -2.4 30 30 A V E -BC 21 73A 0 -9,-3.0 -9,-2.9 -2,-0.5 2,-0.5 -0.843 42.9-108.4-138.7 172.3 -1.6 33.4 0.8 31 31 A A E -BC 20 72A 11 41,-2.7 41,-3.5 -2,-0.3 2,-0.6 -0.959 32.1-158.8-106.0 123.9 -2.4 30.7 3.4 32 32 A L E -BC 19 71A 3 -13,-3.2 -13,-2.6 -2,-0.5 2,-0.6 -0.926 2.7-161.6-107.1 120.6 -6.0 29.6 3.1 33 33 A K E -BC 18 70A 2 37,-3.1 37,-2.5 -2,-0.6 2,-0.6 -0.894 6.0-152.2-106.1 120.3 -7.5 28.0 6.2 34 34 A K E C 0 69A 53 -17,-2.6 -17,-0.3 -2,-0.6 35,-0.2 -0.798 360.0 360.0 -91.8 115.0 -10.7 25.9 5.7 35 35 A I 0 0 33 33,-3.4 33,-0.7 -2,-0.6 -19,-0.3 -0.699 360.0 360.0 -83.6 360.0 -12.7 25.9 8.9 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 0 125 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 139.4 -22.6 31.0 14.1 38 46 A S H > + 0 0 72 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.844 360.0 56.5 -57.4 -36.8 -23.0 34.7 14.1 39 47 A T H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 109.1 45.7 -63.4 -41.0 -20.9 35.0 17.3 40 48 A A H > S+ 0 0 8 -3,-0.3 4,-2.8 2,-0.2 5,-0.3 0.946 113.6 49.7 -67.5 -44.5 -18.0 33.2 15.5 41 49 A I H X S+ 0 0 41 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.912 113.3 46.1 -60.2 -42.6 -18.4 35.4 12.5 42 50 A R H X S+ 0 0 151 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.925 113.7 48.3 -66.9 -43.5 -18.5 38.6 14.6 43 51 A E H X S+ 0 0 26 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.934 112.8 47.2 -62.4 -48.2 -15.5 37.5 16.7 44 52 A I H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.906 108.4 57.0 -60.4 -41.1 -13.4 36.5 13.6 45 53 A S H >< S+ 0 0 45 -4,-2.2 3,-1.1 -5,-0.3 4,-0.3 0.888 101.6 55.9 -58.0 -37.7 -14.4 39.8 12.0 46 54 A L H >< S+ 0 0 105 -4,-1.8 3,-1.6 1,-0.2 4,-0.5 0.865 97.5 64.4 -61.2 -36.2 -12.9 41.7 14.9 47 55 A L H >< S+ 0 0 11 -4,-1.3 3,-0.9 -3,-0.5 11,-0.3 0.755 85.2 73.1 -61.4 -25.6 -9.6 40.0 14.4 48 56 A K T << S+ 0 0 82 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.737 100.2 44.7 -61.7 -25.0 -9.2 41.7 11.0 49 57 A E T < S+ 0 0 172 -3,-1.6 2,-2.1 -4,-0.3 -1,-0.3 0.573 86.8 94.4 -94.1 -14.6 -8.4 45.0 12.7 50 58 A L < + 0 0 20 -3,-0.9 2,-0.4 -4,-0.5 8,-0.1 -0.518 60.9 164.6 -79.1 72.2 -6.0 43.4 15.3 51 59 A N + 0 0 72 -2,-2.1 5,-0.1 6,-0.1 6,-0.0 -0.804 8.7 146.5-103.1 134.7 -3.0 44.2 13.2 52 60 A H > - 0 0 42 3,-0.5 3,-2.1 -2,-0.4 54,-0.0 -0.973 55.2-111.8-159.5 148.5 0.7 44.1 14.4 53 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.730 117.9 50.0 -60.4 -20.6 4.0 43.2 12.7 54 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.164 97.2 79.4-105.1 22.5 4.3 40.1 15.0 55 63 A I B < S-e 135 0B 10 -3,-2.1 -3,-0.5 79,-0.3 81,-0.2 -0.994 91.1-111.8-129.6 120.8 0.8 38.8 14.3 56 64 A V - 0 0 10 79,-2.3 2,-0.2 -2,-0.4 82,-0.1 -0.309 44.9-110.7 -56.0 124.2 0.1 36.8 11.1 57 65 A K - 0 0 90 -4,-0.1 16,-2.3 1,-0.1 2,-0.8 -0.414 18.1-143.9 -67.2 128.3 -2.2 39.2 9.1 58 66 A L E -D 72 0A 12 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.818 22.5-179.4 -88.0 107.8 -5.8 38.0 8.7 59 67 A L E - 0 0 34 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.901 53.8 -19.9 -77.7 -46.9 -6.5 39.3 5.1 60 68 A D E -D 71 0A 91 11,-1.4 11,-2.9 2,-0.0 2,-0.4 -0.988 47.4-132.6-160.2 163.7 -10.1 38.3 4.6 61 69 A V E -D 70 0A 31 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.996 17.5-162.9-125.2 125.4 -12.9 36.0 5.7 62 70 A I E -D 69 0A 35 7,-2.9 7,-2.5 -2,-0.4 2,-0.6 -0.950 5.9-175.5-114.1 117.3 -14.9 34.2 3.1 63 71 A H E +D 68 0A 105 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.933 22.9 148.7-114.8 104.3 -18.3 32.8 4.3 64 72 A T E > +D 67 0A 68 3,-2.3 3,-2.3 -2,-0.6 -2,-0.1 -0.999 60.0 2.1-144.5 142.3 -19.9 30.8 1.6 65 73 A E T 3 S- 0 0 172 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.833 126.9 -64.2 54.7 30.3 -22.3 27.8 1.3 66 74 A N T 3 S+ 0 0 156 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.776 114.2 122.6 63.6 26.6 -22.2 27.9 5.1 67 75 A K E < - D 0 64A 68 -3,-2.3 -3,-2.3 2,-0.0 2,-0.5 -0.892 54.3-138.9-117.0 147.6 -18.5 27.1 4.9 68 76 A L E + D 0 63A 15 -33,-0.7 -33,-3.4 -2,-0.3 2,-0.4 -0.936 19.0 178.1-117.0 129.2 -15.7 29.3 6.4 69 77 A Y E -CD 34 62A 36 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.5 -0.989 12.3-157.7-124.8 134.2 -12.4 30.2 4.9 70 78 A L E -CD 33 61A 0 -37,-2.5 -37,-3.1 -2,-0.4 2,-0.6 -0.926 8.5-151.1-112.1 128.9 -9.8 32.4 6.5 71 79 A V E -CD 32 60A 3 -11,-2.9 -12,-2.5 -2,-0.5 -11,-1.4 -0.903 22.7-179.9-103.3 118.9 -7.2 34.0 4.2 72 80 A F E -CD 31 58A 19 -41,-3.5 -41,-2.7 -2,-0.6 -14,-0.2 -0.834 36.1 -94.2-116.1 161.9 -3.9 34.8 5.9 73 81 A E E -C 30 0A 48 -16,-2.3 2,-0.5 -2,-0.3 -43,-0.2 -0.340 49.9-120.9 -62.3 143.1 -0.5 36.3 5.0 74 82 A F - 0 0 38 -45,-0.6 2,-0.4 -53,-0.1 -1,-0.1 -0.815 28.5-175.5 -97.3 134.0 1.8 33.4 4.0 75 83 A L - 0 0 14 -2,-0.5 53,-0.1 1,-0.1 52,-0.0 -0.949 24.7-133.0-122.8 148.3 5.1 32.7 5.8 76 84 A H S S+ 0 0 103 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.655 77.2 19.1 -76.9 -21.7 7.6 30.1 4.7 77 85 A Q E -F 127 0B 30 50,-1.2 50,-3.0 213,-0.1 2,-0.2 -0.996 61.0-138.3-148.5 156.2 8.4 28.2 7.8 78 86 A D E > -F 126 0B 20 -2,-0.3 4,-2.1 48,-0.3 48,-0.2 -0.675 31.6-111.6-110.0 165.2 7.2 27.5 11.3 79 87 A L H > S+ 0 0 0 46,-2.7 4,-2.5 43,-1.1 44,-0.2 0.802 114.2 59.9 -67.9 -28.9 9.2 27.4 14.6 80 88 A K H > S+ 0 0 81 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.963 109.7 42.7 -62.7 -47.5 8.7 23.7 15.0 81 89 A K H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.920 113.9 51.7 -63.6 -42.2 10.4 23.0 11.7 82 90 A F H X S+ 0 0 9 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.875 110.1 49.0 -63.7 -39.8 13.1 25.5 12.4 83 91 A M H < S+ 0 0 24 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.907 110.3 49.9 -67.0 -41.3 13.8 23.9 15.7 84 92 A D H >< S+ 0 0 104 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.951 112.8 48.6 -60.7 -43.6 14.0 20.4 14.2 85 93 A A H 3< S+ 0 0 82 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.731 113.4 46.3 -65.9 -25.9 16.4 21.9 11.6 86 94 A S T 3X S+ 0 0 17 -4,-1.3 4,-3.2 -3,-0.2 -1,-0.3 0.164 81.6 110.7-101.7 13.4 18.5 23.5 14.3 87 95 A A T <4 S+ 0 0 45 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.861 71.0 52.7 -58.5 -43.3 18.6 20.4 16.5 88 96 A L T 4 S+ 0 0 168 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.866 130.3 14.6 -63.9 -37.9 22.3 19.5 16.0 89 97 A T T 4 S- 0 0 110 -3,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.599 103.0-129.2-112.8 -18.7 23.6 22.9 17.0 90 98 A G < - 0 0 9 -4,-3.2 -3,-0.1 -7,-0.2 99,-0.1 0.205 37.8 -65.5 78.4 153.4 20.6 24.6 18.6 91 99 A I - 0 0 12 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.582 64.6-104.7 -71.4 128.0 19.3 28.1 17.8 92 100 A P >> - 0 0 78 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.265 27.0-118.2 -55.8 140.7 21.9 30.7 18.7 93 101 A L H 3> S+ 0 0 67 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.873 111.9 56.8 -48.4 -45.4 21.0 32.6 21.9 94 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.857 110.4 46.1 -59.4 -33.6 20.8 36.0 20.2 95 103 A L H <> S+ 0 0 7 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.910 111.5 50.0 -74.3 -43.0 18.2 34.6 17.8 96 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.933 112.6 49.5 -55.5 -47.1 16.2 32.9 20.6 97 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.915 111.0 48.1 -61.1 -43.0 16.3 36.3 22.5 98 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.927 112.4 49.1 -63.2 -44.8 15.2 38.2 19.4 99 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.936 112.3 47.8 -61.4 -45.8 12.3 35.7 18.8 100 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.2 50.8 -61.8 -41.9 11.2 35.9 22.4 101 109 A F H X S+ 0 0 55 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.950 112.3 46.7 -62.1 -44.6 11.3 39.7 22.4 102 110 A Q H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.894 111.3 50.6 -63.0 -44.0 9.2 39.9 19.2 103 111 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.890 108.4 52.9 -64.8 -37.5 6.6 37.4 20.5 104 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.866 107.7 52.1 -63.2 -35.7 6.3 39.4 23.7 105 113 A Q H X S+ 0 0 61 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.934 110.1 48.3 -65.1 -45.2 5.6 42.5 21.6 106 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.934 114.5 46.0 -56.6 -49.7 2.9 40.6 19.7 107 115 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.889 109.2 53.7 -62.0 -43.8 1.4 39.4 23.0 108 116 A A H X S+ 0 0 25 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.922 110.8 48.9 -60.3 -36.1 1.6 42.8 24.6 109 117 A F H X S+ 0 0 46 -4,-2.0 4,-0.9 -5,-0.2 3,-0.3 0.972 114.9 41.4 -66.3 -52.4 -0.3 44.2 21.7 110 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.5 0.869 114.1 52.8 -62.1 -42.3 -3.1 41.6 21.7 111 119 A H H ><5S+ 0 0 27 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.818 101.0 60.3 -64.5 -32.0 -3.4 41.6 25.5 112 120 A S H 3<5S+ 0 0 66 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.6 46.6 -66.4 -25.1 -3.8 45.4 25.5 113 121 A H T <<5S- 0 0 90 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.197 120.8-113.1-100.9 14.9 -6.9 44.8 23.3 114 122 A R T < 5S+ 0 0 180 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.777 72.0 136.9 59.6 34.1 -8.0 42.1 25.7 115 123 A V < - 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