==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-APR-04 1V1K . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.F.BEATTIE,G.A.BREAULT,R.P.A.ELLSTON,S.GREEN,P.J.JEWSBURY, . 277 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 61.7 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 . 41 14.8 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 . 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 24.2 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 2 1 0 1 0 0 1 0 1 0 0 0 1 0 0 1 0 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 0 2 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,-0.7 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -2.0 27.2 -20.6 14.5 2 2 A E T 3 + 0 0 157 1,-0.2 22,-0.1 3,-0.1 0, 0.0 0.723 360.0 60.8 -70.4 -23.8 27.2 -24.3 14.9 3 3 A N T 3 S+ 0 0 74 20,-0.1 21,-3.0 21,-0.1 22,-0.5 0.503 97.9 71.0 -80.0 -5.6 24.7 -23.5 17.6 4 4 A F E < -A 23 0A 23 -3,-0.7 2,-0.5 19,-0.2 19,-0.2 -0.951 60.2-163.2-122.4 132.8 22.2 -21.9 15.1 5 5 A Q E -A 22 0A 91 17,-2.0 17,-2.8 -2,-0.4 2,-0.1 -0.965 22.4-131.1-116.0 117.8 20.1 -23.5 12.4 6 6 A K E +A 21 0A 119 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.420 26.7 174.2 -68.3 139.8 18.7 -21.2 9.7 7 7 A V E - 0 0 62 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.710 63.0 -29.2-115.0 -44.4 14.9 -21.5 8.9 8 8 A E E -A 20 0A 121 12,-1.2 12,-2.7 0, 0.0 -1,-0.3 -0.918 64.4 -92.7-171.9 150.9 14.3 -18.7 6.4 9 9 A K E -A 19 0A 111 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.506 27.8-174.4 -67.2 130.7 15.6 -15.2 5.4 10 10 A I E - 0 0 91 8,-2.8 2,-0.3 1,-0.3 9,-0.2 0.814 58.8 -60.0 -90.5 -41.4 13.7 -12.4 7.1 11 11 A G E -A 18 0A 26 7,-1.9 7,-2.4 2,-0.0 2,-0.4 -0.988 45.4 -87.6 179.2-173.0 15.4 -9.6 5.2 12 12 A E E -A 17 0A 87 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.994 41.4-158.4-128.5 127.9 18.5 -7.7 4.2 13 13 A G E > -A 16 0A 32 3,-2.0 3,-0.7 -2,-0.4 -2,-0.0 -0.661 33.0-102.7-116.0 164.0 19.7 -4.8 6.3 14 14 A T T 3 S+ 0 0 116 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.702 121.6 15.3 -56.8 -21.0 21.9 -1.7 6.1 15 15 A Y T 3 S+ 0 0 47 1,-0.4 21,-2.1 21,-0.0 -1,-0.3 0.301 132.3 3.7-139.1 8.6 24.8 -3.5 7.8 16 16 A G E < S-AB 13 35A 10 -3,-0.7 -3,-2.0 19,-0.3 -1,-0.4 -0.918 70.8 -97.4 178.6 160.6 24.0 -7.3 7.8 17 17 A V E -AB 12 34A 36 17,-1.2 17,-2.4 -2,-0.3 2,-0.4 -0.698 36.4-141.8 -90.8 146.0 21.5 -10.0 6.5 18 18 A V E +AB 11 33A 23 -7,-2.4 -8,-2.8 -2,-0.3 -7,-1.9 -0.942 19.4 179.4-118.4 128.9 18.8 -11.3 8.9 19 19 A Y E -AB 9 32A 59 13,-3.2 13,-3.4 -2,-0.4 2,-0.5 -0.908 33.7-121.1-124.2 147.7 17.5 -14.8 9.4 20 20 A K E +AB 8 31A 46 -12,-2.7 -13,-2.9 -2,-0.3 -12,-1.2 -0.787 49.9 172.6 -78.8 124.9 14.9 -16.7 11.4 21 21 A A E -AB 6 30A 1 9,-2.4 9,-2.6 -2,-0.5 2,-0.5 -0.942 32.5-128.8-137.5 154.5 17.1 -19.3 13.2 22 22 A R E -AB 5 29A 101 -17,-2.8 -17,-2.0 -2,-0.3 2,-0.8 -0.944 20.2-134.3-108.9 126.8 16.7 -21.9 15.9 23 23 A N E >>> -AB 4 28A 21 5,-2.8 4,-2.3 -2,-0.5 3,-0.7 -0.695 12.0-160.6 -75.5 109.5 19.2 -22.0 18.8 24 24 A K T 345S+ 0 0 128 -21,-3.0 -1,-0.2 -2,-0.8 -20,-0.1 0.704 88.8 59.2 -65.1 -22.7 20.2 -25.7 19.2 25 25 A L T 345S+ 0 0 77 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.813 126.3 15.0 -74.8 -30.8 21.5 -25.0 22.8 26 26 A T T <45S- 0 0 87 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.1 0.432 90.6-125.9-122.0 -4.2 18.0 -23.8 23.9 27 27 A G T <5 + 0 0 49 -4,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.631 64.6 147.9 58.1 12.7 15.5 -24.9 21.2 28 28 A E E < -B 23 0A 83 -5,-0.6 -5,-2.8 1,-0.0 2,-0.4 -0.504 49.0-128.7 -82.1 144.4 14.7 -21.2 21.2 29 29 A V E +B 22 0A 54 -7,-0.2 45,-0.6 -2,-0.2 2,-0.3 -0.812 39.7 164.1 -94.9 132.7 13.5 -19.3 18.1 30 30 A V E -BC 21 73A 0 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.7 -0.915 44.0-110.2-142.5 162.5 15.4 -16.1 17.3 31 31 A A E -BC 20 72A 14 41,-2.3 41,-2.7 -2,-0.3 2,-0.5 -0.913 36.7-160.2 -96.0 112.8 16.2 -13.4 14.7 32 32 A L E -BC 19 71A 9 -13,-3.4 -13,-3.2 -2,-0.7 2,-0.5 -0.825 6.2-168.7 -98.9 123.0 19.9 -13.9 13.7 33 33 A K E -BC 18 70A 6 37,-2.8 37,-3.1 -2,-0.5 2,-0.6 -0.952 5.6-158.9-115.7 116.7 21.7 -10.9 12.1 34 34 A K E -BC 17 69A 78 -17,-2.4 -17,-1.2 -2,-0.5 35,-0.2 -0.844 17.4-136.3 -94.4 121.9 25.1 -11.4 10.5 35 35 A I E -B 16 0A 31 33,-3.2 33,-0.3 -2,-0.6 -19,-0.3 -0.522 19.0-115.0 -75.8 143.8 27.2 -8.2 10.1 36 36 A R 0 0 76 -21,-2.1 -1,-0.1 1,-0.2 -20,-0.1 0.911 360.0 360.0 -34.8 -88.7 29.1 -7.5 6.9 37 37 A L 0 0 110 -22,-0.1 -1,-0.2 30,-0.1 -2,-0.1 -0.487 360.0 360.0 -82.8 360.0 32.8 -7.6 7.8 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 0 163 0, 0.0 4,-1.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -5.8 35.0 0.4 19.0 40 48 A A H > + 0 0 50 2,-0.2 4,-2.6 3,-0.1 5,-0.3 0.914 360.0 48.5 -96.6 -62.0 32.1 -1.6 17.6 41 49 A I H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.852 113.8 60.0 -44.2 -35.6 32.0 -4.8 19.7 42 50 A R H 4 S+ 0 0 57 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.983 109.6 32.8 -55.2 -70.3 32.2 -2.1 22.4 43 51 A E H < S+ 0 0 77 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.732 120.8 53.1 -65.1 -26.3 29.0 -0.0 21.7 44 52 A I H >X S+ 0 0 10 -4,-2.6 3,-2.1 2,-0.2 4,-0.6 0.942 106.4 50.6 -72.5 -51.7 27.2 -3.2 20.6 45 53 A S T 3< S+ 0 0 70 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.577 107.6 57.9 -62.3 -7.2 28.0 -5.0 23.8 46 54 A L T >4 S+ 0 0 132 -4,-0.5 3,-0.8 1,-0.1 -1,-0.3 0.608 94.7 66.0 -92.1 -13.8 26.7 -1.9 25.5 47 55 A L G X4 S+ 0 0 25 -3,-2.1 3,-1.4 -4,-0.3 11,-0.3 0.674 78.1 77.9 -82.4 -20.7 23.3 -2.3 23.7 48 56 A K G 3< S+ 0 0 49 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.504 83.3 72.2 -65.5 -4.0 22.4 -5.5 25.5 49 57 A E G < + 0 0 83 -3,-0.8 2,-0.7 8,-0.0 -1,-0.2 0.588 65.2 104.1 -91.7 -18.8 21.5 -3.3 28.5 50 58 A L < + 0 0 16 -3,-1.4 2,-0.5 -4,-0.1 8,-0.3 -0.578 46.6 174.5 -61.5 110.8 18.3 -1.8 27.1 51 59 A N + 0 0 117 -2,-0.7 5,-0.1 6,-0.1 -2,-0.0 -0.921 18.0 128.8-125.8 111.6 15.4 -3.6 28.9 52 60 A H > - 0 0 32 -2,-0.5 3,-1.7 3,-0.4 5,-0.1 -0.979 62.6-117.7-157.5 143.9 12.0 -2.3 28.2 53 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.755 112.5 51.2 -54.4 -29.2 8.6 -3.8 27.1 54 62 A N T 3 S+ 0 0 7 48,-0.1 81,-2.5 80,-0.1 2,-0.4 0.163 97.5 74.3-104.3 19.5 8.6 -1.8 23.8 55 63 A I B < S-e 135 0B 14 -3,-1.7 -3,-0.4 79,-0.3 2,-0.3 -0.997 84.8-113.4-128.8 134.0 12.1 -2.6 22.5 56 64 A V - 0 0 7 79,-2.7 82,-0.1 -2,-0.4 2,-0.1 -0.470 43.0-115.9 -63.1 118.8 13.2 -5.9 20.9 57 65 A K - 0 0 84 -2,-0.3 16,-2.4 1,-0.1 2,-0.9 -0.297 10.0-138.1 -63.3 130.1 15.7 -7.5 23.3 58 66 A L E -D 72 0A 11 -8,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.813 26.8-179.5 -83.8 108.0 19.3 -8.0 22.2 59 67 A L E - 0 0 51 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.908 54.5 -3.7 -80.4 -45.5 19.9 -11.5 23.6 60 68 A D E -D 71 0A 97 11,-1.5 11,-2.6 2,-0.0 2,-0.5 -0.999 47.1-147.3-154.1 148.1 23.5 -12.3 22.7 61 69 A V E -D 70 0A 30 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.978 20.8-169.7-117.6 117.4 26.6 -10.9 20.8 62 70 A I E -D 69 0A 41 7,-2.0 7,-2.6 -2,-0.5 2,-0.6 -0.938 8.3-173.5-113.4 123.2 28.8 -13.6 19.2 63 71 A H E +D 68 0A 115 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.883 27.8 143.6-114.8 94.3 32.2 -12.7 17.8 64 72 A T E > +D 67 0A 68 3,-1.5 3,-2.7 -2,-0.6 -2,-0.0 -0.925 59.4 9.7-133.0 159.6 33.8 -15.8 16.0 65 73 A E T 3 S- 0 0 104 -2,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.870 126.9 -64.5 34.7 52.8 35.9 -16.4 12.9 66 74 A N T 3 S+ 0 0 89 -3,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.726 114.8 111.5 45.8 32.0 36.4 -12.6 12.7 67 75 A K E < - D 0 64A 16 -3,-2.7 -3,-1.5 2,-0.0 2,-0.6 -0.962 61.5-130.8-132.9 152.5 32.7 -12.1 12.0 68 76 A L E - D 0 63A 18 -33,-0.3 -33,-3.2 -2,-0.3 2,-0.4 -0.899 18.4-174.2-114.6 116.6 29.9 -10.5 14.1 69 77 A Y E -CD 34 62A 40 -7,-2.6 -7,-2.0 -2,-0.6 2,-0.5 -0.874 9.2-156.7-105.9 135.0 26.5 -12.0 14.8 70 78 A L E -CD 33 61A 0 -37,-3.1 -37,-2.8 -2,-0.4 2,-0.6 -0.964 7.0-155.4-110.7 126.4 23.6 -10.3 16.7 71 79 A V E -CD 32 60A 4 -11,-2.6 -12,-2.4 -2,-0.5 -11,-1.5 -0.900 18.6-176.5-107.6 111.5 21.0 -12.5 18.3 72 80 A F E -CD 31 58A 26 -41,-2.7 -41,-2.3 -2,-0.6 -14,-0.2 -0.741 35.5 -98.5-109.3 151.6 17.5 -10.9 18.8 73 81 A E E -C 30 0A 47 -16,-2.4 2,-0.5 -2,-0.3 -43,-0.1 -0.404 50.9-126.0 -55.6 134.7 14.2 -11.8 20.4 74 82 A F - 0 0 42 -45,-0.6 2,-0.3 -2,-0.0 -45,-0.1 -0.814 27.2-175.5 -97.8 131.0 12.0 -12.9 17.5 75 83 A L - 0 0 22 -2,-0.5 53,-0.1 1,-0.1 3,-0.0 -0.938 23.5-136.4-118.0 152.5 8.5 -11.6 16.6 76 84 A H S S+ 0 0 122 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.720 76.8 34.3 -78.6 -28.3 6.2 -12.9 13.8 77 85 A Q E -F 127 0B 15 50,-0.9 50,-2.2 4,-0.0 2,-0.3 -0.980 59.0-146.3-139.8 148.6 4.9 -9.7 12.1 78 86 A D E > -F 126 0B 50 -2,-0.3 4,-2.2 48,-0.2 48,-0.2 -0.748 30.6-115.4-106.7 154.8 6.0 -6.2 11.2 79 87 A L H > S+ 0 0 0 46,-2.8 4,-3.1 43,-0.7 44,-0.2 0.845 111.9 59.4 -57.1 -36.0 3.8 -3.0 11.1 80 88 A K H > S+ 0 0 70 42,-1.2 4,-2.6 45,-0.2 -1,-0.2 0.964 108.0 42.6 -63.2 -52.8 4.2 -2.6 7.3 81 89 A K H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 114.1 53.5 -57.5 -42.7 2.7 -6.0 6.5 82 90 A F H X S+ 0 0 13 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.953 109.2 48.1 -57.6 -49.3 -0.0 -5.4 9.1 83 91 A M H >< S+ 0 0 21 -4,-3.1 3,-0.9 2,-0.2 -2,-0.2 0.907 110.9 51.7 -53.1 -48.4 -0.9 -2.0 7.4 84 92 A D H >< S+ 0 0 104 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.949 109.5 49.1 -55.4 -50.3 -1.0 -3.7 3.9 85 93 A A H 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.639 115.0 46.5 -61.8 -14.9 -3.4 -6.4 5.3 86 94 A S T > - 0 0 77 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.336 24.8-120.5 -57.6 135.4 -9.0 1.2 14.0 93 101 A L H 3> S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 110.1 58.6 -48.6 -47.1 -8.2 4.4 15.8 94 102 A P H 3> S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 177,-0.4 0.882 111.2 44.4 -52.0 -38.9 -8.0 2.8 19.4 95 103 A L H <> S+ 0 0 8 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.847 110.2 52.9 -73.5 -36.0 -5.2 0.5 18.0 96 104 A I H X S+ 0 0 5 -4,-2.0 4,-2.3 1,-0.2 -3,-0.1 0.974 112.8 47.1 -59.4 -48.0 -3.4 3.3 16.2 97 105 A K H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.823 110.3 50.2 -60.9 -44.3 -3.4 5.2 19.5 98 106 A S H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.924 111.7 48.2 -63.1 -46.6 -2.2 2.3 21.6 99 107 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.919 112.2 49.9 -61.4 -44.9 0.7 1.6 19.2 100 108 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.926 110.5 50.3 -55.0 -49.5 1.6 5.4 19.2 101 109 A F H X S+ 0 0 55 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.878 112.4 47.0 -56.3 -44.1 1.6 5.4 23.1 102 110 A Q H X S+ 0 0 16 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.905 110.5 49.6 -69.6 -46.0 3.8 2.3 23.3 103 111 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.831 110.0 54.1 -62.5 -33.8 6.5 3.5 20.7 104 112 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.897 108.2 47.4 -66.8 -41.7 6.6 6.8 22.6 105 113 A Q H X S+ 0 0 69 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.906 114.1 49.2 -60.7 -42.1 7.3 4.9 25.9 106 114 A G H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.941 113.7 44.8 -59.6 -49.9 10.0 2.9 24.0 107 115 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.914 111.2 52.6 -64.6 -45.0 11.5 6.1 22.6 108 116 A A H X S+ 0 0 23 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.815 109.4 51.7 -58.0 -36.2 11.4 8.0 25.9 109 117 A F H < S+ 0 0 51 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.958 114.2 38.7 -68.6 -52.8 13.3 5.0 27.6 110 118 A C H ><>S+ 0 0 2 -4,-2.2 5,-2.4 1,-0.2 3,-1.4 0.924 113.9 55.9 -69.1 -35.0 16.1 4.8 25.1 111 119 A H H ><5S+ 0 0 29 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.859 102.3 56.0 -59.3 -39.4 16.4 8.6 24.8 112 120 A S T 3<5S+ 0 0 91 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.614 109.7 47.8 -68.2 -10.1 16.8 8.9 28.6 113 121 A H T < 5S- 0 0 113 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.218 123.1-107.3-109.6 10.4 19.8 6.5 28.2 114 122 A R T < 5S+ 0 0 84 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.881 75.4 137.0 65.1 40.3 21.2 8.5 25.3 115 123 A V < - 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