==== 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 15-MAY-08 2VTR . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.WYATT,A.J.WOODHEAD,J.A.BOULSTRIDGE,V.BERDINI,M.G.CARR,D. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.4 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 . 40 13.8 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 26.2 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 3 1 1 0 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 1 2 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 57 0, 0.0 3,-2.5 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 111.3 13.7 6.0 74.9 2 2 A E T 3 + 0 0 150 1,-0.3 22,-0.1 3,-0.1 0, 0.0 0.787 360.0 53.6 -28.8 -49.4 13.4 4.5 78.4 3 3 A N T 3 S+ 0 0 65 20,-0.1 21,-2.3 21,-0.0 2,-0.4 0.570 103.4 67.7 -80.3 -4.8 15.9 1.8 77.7 4 4 A F E < -A 23 0A 13 -3,-2.5 2,-0.6 19,-0.2 19,-0.2 -0.928 59.2-157.6-127.6 137.9 18.7 4.1 76.4 5 5 A Q E -A 22 0A 91 17,-2.4 17,-2.3 -2,-0.4 2,-0.1 -0.940 26.2-132.3-110.4 108.9 20.8 6.7 78.0 6 6 A K E -A 21 0A 82 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.371 23.8-179.7 -67.2 133.7 22.2 9.3 75.5 7 7 A V E - 0 0 69 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.846 60.6 -35.4 -93.9 -58.5 25.9 10.0 75.8 8 8 A E E -A 20 0A 107 12,-1.2 12,-3.2 0, 0.0 2,-0.4 -0.977 62.6 -87.8-163.0 162.4 26.4 12.6 73.1 9 9 A K E +A 19 0A 123 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.676 40.3 171.7 -79.6 127.9 25.3 13.7 69.7 10 10 A I E + 0 0 65 8,-3.1 2,-0.3 -2,-0.4 9,-0.2 0.128 57.6 0.4-121.6 14.3 27.3 12.0 67.0 11 11 A G E -A 18 0A 29 7,-0.7 7,-2.6 2,-0.1 2,-0.4 -0.872 47.2-136.3 168.0 149.5 25.7 12.9 63.8 12 12 A E E -A 17 0A 84 -2,-0.3 5,-0.2 5,-0.2 141,-0.1 -0.834 40.5-162.4-126.8 82.9 22.9 14.7 62.1 13 13 A G - 0 0 14 3,-1.7 139,-0.5 -2,-0.4 140,-0.3 0.051 35.3 -99.8 -56.0 178.6 21.8 12.1 59.7 14 14 A T S S+ 0 0 11 137,-0.2 138,-0.7 1,-0.2 -1,-0.1 0.882 125.2 35.8 -60.7 -35.4 19.6 12.9 56.7 15 15 A Y S S- 0 0 23 1,-0.2 21,-0.6 136,-0.2 2,-0.3 0.545 127.4 -43.2-104.4 -13.4 16.7 11.6 58.7 16 16 A G S S- 0 0 3 19,-0.1 -3,-1.7 20,-0.1 2,-0.2 -0.985 77.8 -41.8 171.3-173.5 17.4 12.7 62.3 17 17 A V E -A 12 0A 22 -2,-0.3 17,-2.1 17,-0.3 2,-0.5 -0.568 46.0-147.1 -75.5 141.4 19.9 13.2 65.1 18 18 A V E -AB 11 33A 27 -7,-2.6 -8,-3.1 15,-0.2 -7,-0.7 -0.975 19.8-170.4-105.9 125.5 22.3 10.3 65.7 19 19 A Y E -AB 9 32A 50 13,-2.8 13,-3.3 -2,-0.5 2,-0.4 -0.914 27.3-130.1-110.3 149.1 23.3 9.8 69.3 20 20 A K E +AB 8 31A 41 -12,-3.2 -13,-3.4 -2,-0.4 -12,-1.2 -0.797 47.1 172.5 -83.4 132.0 25.9 7.7 71.0 21 21 A A E -AB 6 30A 0 9,-2.6 9,-3.3 -2,-0.4 2,-0.4 -0.972 29.8-133.5-143.4 153.5 23.8 5.9 73.7 22 22 A R E -AB 5 29A 98 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.4 -0.953 21.8-124.6-114.4 136.4 24.1 3.2 76.3 23 23 A N E > -A 4 0A 19 5,-3.2 4,-1.2 -2,-0.4 -19,-0.2 -0.666 17.2-141.6 -73.1 130.3 21.7 0.4 77.0 24 24 A K T 4 S+ 0 0 129 -21,-2.3 -1,-0.1 -2,-0.4 -20,-0.1 0.420 91.9 25.2 -79.1 1.7 20.6 0.4 80.6 25 25 A L T 4 S+ 0 0 139 -22,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.629 125.0 39.8-131.5 -40.1 20.5 -3.4 81.0 26 26 A T T 4 S- 0 0 81 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.646 95.6-130.9 -84.4 -15.5 22.8 -5.1 78.6 27 27 A G < + 0 0 41 -4,-1.2 -3,-0.1 1,-0.2 -4,-0.0 0.141 51.0 160.2 80.0 -16.5 25.4 -2.4 79.1 28 28 A E - 0 0 86 -6,-0.2 -5,-3.2 1,-0.1 2,-0.5 0.030 37.8-141.1 -42.7 130.1 25.7 -2.1 75.2 29 29 A V E +B 22 0A 56 -7,-0.2 46,-0.6 -3,-0.1 2,-0.3 -0.844 37.4 170.4 -90.1 128.5 27.1 1.0 73.7 30 30 A V E -BC 21 74A 1 -9,-3.3 -9,-2.6 -2,-0.5 2,-0.6 -0.889 41.9-115.4-138.3 159.9 25.1 1.9 70.6 31 31 A A E -BC 20 73A 12 42,-2.8 42,-3.3 -2,-0.3 2,-0.6 -0.944 33.9-158.8 -93.2 124.8 24.4 4.4 67.9 32 32 A L E -BC 19 72A 0 -13,-3.3 -13,-2.8 -2,-0.6 2,-0.5 -0.893 6.4-168.0-108.6 113.5 20.8 5.6 68.2 33 33 A K E -BC 18 71A 3 38,-2.5 38,-2.5 -2,-0.6 2,-0.7 -0.871 8.4-154.1-101.2 121.9 19.1 7.2 65.2 34 34 A K E - C 0 70A 50 -17,-2.1 -17,-0.3 -2,-0.5 2,-0.2 -0.881 15.1-159.1 -96.1 117.6 15.8 9.0 65.9 35 35 A I E C 0 69A 13 34,-3.7 34,-1.1 -2,-0.7 -19,-0.1 -0.652 360.0 360.0 -97.9 156.1 13.6 9.1 62.8 36 36 A R 0 0 212 -21,-0.6 -1,-0.1 -2,-0.2 -20,-0.1 0.906 360.0 360.0 -77.1 360.0 10.8 11.4 62.0 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 45 A P > 0 0 130 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.7 4.1 4.6 57.0 39 46 A S H > + 0 0 75 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.819 360.0 54.9 -87.2 -43.0 3.4 0.9 56.8 40 47 A T H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 103.5 57.2 -49.6 -50.1 5.8 0.4 53.9 41 48 A A H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 106.0 46.0 -60.0 -45.6 8.7 1.9 56.0 42 49 A I H X S+ 0 0 71 -4,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.894 112.7 52.8 -67.4 -33.9 8.5 -0.5 58.9 43 50 A R H X S+ 0 0 168 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.887 112.0 44.1 -67.0 -38.8 8.2 -3.4 56.6 44 51 A E H X S+ 0 0 36 -4,-2.3 4,-1.0 2,-0.2 3,-0.4 0.907 113.9 49.9 -71.8 -42.3 11.4 -2.4 54.7 45 52 A I H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.9 0.949 105.0 57.7 -61.6 -42.0 13.3 -1.6 57.8 46 53 A S H 3< S+ 0 0 41 -4,-2.5 3,-0.3 1,-0.3 4,-0.2 0.789 103.1 54.3 -64.9 -23.3 12.4 -5.0 59.4 47 54 A L H >X S+ 0 0 92 -4,-0.9 3,-1.5 -3,-0.4 4,-0.5 0.801 97.0 65.7 -73.9 -30.3 14.0 -6.7 56.3 48 55 A L H X< S+ 0 0 13 -3,-1.5 3,-0.9 -4,-1.0 11,-0.3 0.805 88.1 70.0 -63.6 -26.4 17.2 -4.7 57.1 49 56 A K T 3< S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.716 101.0 44.2 -63.2 -20.7 17.5 -6.7 60.3 50 57 A E T <4 S+ 0 0 145 -3,-1.5 2,-1.8 -4,-0.2 -1,-0.2 0.482 86.8 94.0-103.2 -7.8 18.3 -9.8 58.4 51 58 A L << + 0 0 15 -3,-0.9 2,-0.5 -4,-0.5 8,-0.2 -0.539 60.9 168.8 -84.1 77.1 20.8 -8.2 56.0 52 59 A N + 0 0 71 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.782 7.5 149.8-105.4 126.0 23.8 -9.0 58.1 53 60 A H > - 0 0 46 -2,-0.5 3,-2.2 3,-0.4 54,-0.1 -0.984 51.7-120.7-150.8 141.8 27.4 -8.7 57.0 54 61 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.667 117.4 48.2 -49.9 -30.3 30.8 -7.9 58.7 55 62 A N T 3 S+ 0 0 12 80,-0.1 81,-2.2 2,-0.1 2,-0.4 0.154 97.8 81.2-103.5 22.0 31.1 -4.8 56.5 56 63 A I B < S-e 136 0B 11 -3,-2.2 -3,-0.4 79,-0.2 81,-0.2 -0.993 92.6-110.8-121.6 126.0 27.5 -3.5 57.1 57 64 A V - 0 0 8 79,-2.4 2,-0.4 -2,-0.4 82,-0.1 -0.328 46.0-110.8 -53.9 128.3 26.9 -1.6 60.4 58 65 A K - 0 0 92 -4,-0.1 16,-3.0 1,-0.1 2,-0.9 -0.522 19.1-143.2 -77.3 121.9 24.8 -4.0 62.3 59 66 A L E +D 73 0A 11 -2,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.750 23.2 178.3 -76.0 106.3 21.2 -3.0 62.9 60 67 A L E - 0 0 19 12,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.963 56.5 -3.1 -76.7 -52.3 20.5 -4.2 66.4 61 68 A D E -D 72 0A 74 11,-1.2 11,-3.0 2,-0.0 2,-0.5 -0.962 49.1-145.9-146.5 154.0 17.0 -3.2 67.1 62 69 A V E -D 71 0A 43 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.982 20.4-166.3-121.7 114.8 14.0 -1.3 65.6 63 70 A I E -D 70 0A 34 7,-3.3 7,-2.9 -2,-0.5 2,-0.6 -0.894 8.5-177.2-108.8 112.5 11.9 0.6 68.0 64 71 A H E +D 69 0A 103 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.927 23.9 147.0-100.9 121.5 8.5 1.9 67.0 65 72 A T E > -D 68 0A 52 3,-2.5 3,-3.4 -2,-0.6 -2,-0.0 -0.966 62.3 -9.2-156.3 137.1 6.8 3.8 69.8 66 73 A E T 3 S- 0 0 168 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.744 122.8 -62.1 50.6 26.2 4.4 6.8 70.1 67 74 A N T 3 S+ 0 0 144 1,-0.4 -1,-0.3 0, 0.0 2,-0.3 0.441 114.6 120.0 77.2 -0.4 4.9 7.5 66.4 68 75 A K E < - D 0 65A 98 -3,-3.4 -3,-2.5 2,-0.0 2,-0.5 -0.731 53.4-150.8 -87.5 145.1 8.6 8.0 67.1 69 76 A L E -CD 35 64A 19 -34,-1.1 -34,-3.7 -2,-0.3 2,-0.5 -0.976 12.9-174.1-125.2 123.3 10.9 5.6 65.3 70 77 A Y E -CD 34 63A 16 -7,-2.9 -7,-3.3 -2,-0.5 2,-0.5 -0.950 9.4-162.1-121.2 129.3 14.3 4.6 66.6 71 78 A L E -CD 33 62A 1 -38,-2.5 -38,-2.5 -2,-0.5 2,-0.6 -0.934 11.0-151.9-108.3 130.4 17.0 2.5 64.9 72 79 A V E -CD 32 61A 1 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.2 -0.879 20.8-176.5-106.4 116.3 19.6 1.0 67.2 73 80 A F E -CD 31 59A 22 -42,-3.3 -42,-2.8 -2,-0.6 -14,-0.2 -0.833 35.4 -96.6-113.7 155.5 23.0 0.4 65.5 74 81 A E E -C 30 0A 48 -16,-3.0 2,-0.4 -2,-0.3 -44,-0.2 -0.339 52.2-120.5 -55.1 136.7 26.3 -1.1 66.3 75 82 A F - 0 0 33 -46,-0.6 2,-0.4 -54,-0.0 -1,-0.1 -0.765 27.4-169.3 -86.8 141.2 28.6 1.8 67.3 76 83 A L - 0 0 16 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.966 19.4-139.1-129.1 147.9 31.8 2.8 65.5 77 84 A H S S+ 0 0 101 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.544 76.7 18.1 -83.8 -17.0 34.3 5.3 66.8 78 85 A Q E -F 128 0B 41 50,-0.9 50,-2.9 213,-0.0 2,-0.3 -0.992 61.3-140.6-151.3 151.7 35.3 7.1 63.6 79 86 A D E > -F 127 0B 34 -2,-0.3 4,-0.7 48,-0.3 48,-0.2 -0.744 29.9-113.3-110.9 165.7 34.1 7.8 60.0 80 87 A L H > S+ 0 0 0 46,-2.2 4,-3.0 43,-1.2 3,-0.3 0.855 107.3 65.8 -67.1 -31.4 36.1 8.0 56.8 81 88 A K H > S+ 0 0 67 42,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.938 111.8 33.2 -64.8 -46.1 35.5 11.7 56.3 82 89 A K H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.619 112.2 61.4 -79.3 -21.7 37.4 12.7 59.3 83 90 A F H < S+ 0 0 8 -4,-0.7 4,-0.5 -3,-0.3 -2,-0.2 0.835 110.6 43.4 -70.9 -32.5 39.8 9.9 59.0 84 91 A M H < S+ 0 0 21 -4,-3.0 3,-0.3 2,-0.2 -2,-0.2 0.847 111.6 52.2 -67.6 -46.8 40.7 11.5 55.6 85 92 A D H >< S+ 0 0 89 -4,-2.0 3,-1.4 1,-0.2 4,-0.2 0.927 110.7 49.6 -56.4 -46.5 40.7 15.0 57.2 86 93 A A T 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.667 111.2 49.1 -68.9 -18.9 43.1 13.7 59.8 87 94 A S T 3> S+ 0 0 15 -4,-0.5 4,-3.7 -3,-0.3 3,-0.5 0.260 77.1 114.5-101.7 7.3 45.3 12.2 57.1 88 95 A A T <4 S+ 0 0 50 -3,-1.4 -1,-0.1 1,-0.2 -2,-0.1 0.887 71.1 53.3 -40.7 -52.8 45.4 15.4 55.0 89 96 A L T 4 S+ 0 0 164 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.861 132.1 8.6 -61.1 -42.4 49.2 16.0 55.4 90 97 A T T 4 S- 0 0 113 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.457 99.8-129.7-117.5 -4.5 50.3 12.6 54.3 91 98 A G < - 0 0 7 -4,-3.7 99,-0.1 -7,-0.2 -3,-0.1 0.159 41.2 -58.9 70.5 162.4 47.2 10.9 52.9 92 99 A I - 0 0 12 97,-0.6 5,-0.1 1,-0.1 100,-0.0 -0.662 66.1-103.9 -76.9 131.0 46.0 7.4 53.8 93 100 A P >> - 0 0 83 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.259 29.2-119.1 -59.6 147.9 48.7 4.8 52.9 94 101 A L H 3> S+ 0 0 69 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.821 110.7 56.2 -60.5 -38.1 47.8 2.9 49.7 95 102 A P H 3> S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 188,-0.4 0.878 110.3 47.4 -68.0 -27.2 47.6 -0.6 51.3 96 103 A L H <> S+ 0 0 7 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.862 108.4 54.3 -72.1 -36.3 45.0 0.8 53.7 97 104 A I H X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.948 111.4 46.8 -59.7 -40.0 43.1 2.5 50.8 98 105 A K H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.827 110.5 50.0 -72.8 -44.5 43.0 -0.9 49.1 99 106 A S H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.887 113.3 48.1 -53.8 -50.1 41.9 -2.8 52.2 100 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.969 114.2 44.8 -60.5 -48.2 39.1 -0.3 52.7 101 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 113.0 52.4 -58.8 -45.5 37.9 -0.4 49.1 102 109 A F H X S+ 0 0 51 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.891 111.5 45.1 -59.1 -43.6 38.1 -4.2 49.2 103 110 A Q H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.869 110.9 53.0 -72.3 -36.8 36.0 -4.5 52.3 104 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.896 107.5 52.2 -67.6 -36.5 33.4 -2.0 51.0 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 -1,-0.2 0.864 107.1 53.0 -66.1 -39.5 33.0 -3.9 47.8 106 113 A Q H X S+ 0 0 67 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.898 109.5 48.2 -55.5 -53.6 32.4 -7.1 49.9 107 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 114.8 46.9 -52.0 -41.2 29.7 -5.2 51.8 108 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.947 107.7 53.2 -71.0 -43.2 28.2 -4.1 48.5 109 116 A A H X S+ 0 0 20 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.885 111.9 50.0 -60.1 -35.3 28.4 -7.5 46.8 110 117 A F H X S+ 0 0 46 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.954 115.6 38.7 -62.1 -58.4 26.4 -8.8 49.8 111 118 A C H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 3,-0.3 0.898 116.1 51.7 -59.4 -48.7 23.7 -6.2 49.8 112 119 A H H ><5S+ 0 0 12 -4,-3.0 3,-1.7 3,-0.3 -1,-0.2 0.836 102.3 59.7 -59.0 -37.6 23.4 -6.1 46.0 113 120 A S H 3<5S+ 0 0 75 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.839 108.8 45.4 -62.4 -32.4 23.1 -9.9 45.8 114 121 A H T 3<5S- 0 0 112 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.289 122.4-111.8 -89.8 11.0 20.0 -9.5 48.0 115 122 A R T < 5S+ 0 0 175 -3,-1.7 2,-0.5 1,-0.2 -3,-0.3 0.653 70.6 140.9 70.6 17.8 18.9 -6.6 45.8 116 123 A V < - 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