==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-APR-12 4EK6 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 61.5 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 . 12 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.6 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 1 0 1 0 1 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 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 49 0, 0.0 3,-2.3 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 -18.4 -13.1 -4.3 -39.4 2 2 A E T 3 + 0 0 146 1,-0.3 22,-0.0 3,-0.0 0, 0.0 0.699 360.0 66.0 -64.7 -14.9 -13.1 -4.1 -43.2 3 3 A N T 3 S+ 0 0 60 20,-0.1 21,-2.9 21,-0.1 22,-0.4 0.420 95.3 73.1 -83.3 -0.2 -10.6 -1.2 -42.7 4 4 A F E < -A 23 0A 25 -3,-2.3 2,-0.6 19,-0.2 19,-0.2 -0.964 61.9-158.4-125.8 136.1 -8.0 -3.7 -41.2 5 5 A Q E -A 22 0A 105 17,-2.4 17,-2.6 -2,-0.4 2,-0.2 -0.948 25.1-130.5-108.1 114.2 -5.8 -6.4 -42.9 6 6 A K E -A 21 0A 125 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.482 24.7-179.5 -66.3 130.1 -4.6 -9.0 -40.4 7 7 A V E - 0 0 69 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.871 61.5 -37.1 -93.0 -57.5 -0.8 -9.6 -40.7 8 8 A E E -A 20 0A 112 12,-1.1 12,-3.2 0, 0.0 2,-0.5 -0.973 59.7 -90.8-163.6 161.9 -0.5 -12.4 -38.0 9 9 A K E +A 19 0A 123 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.683 38.2 176.2 -76.3 120.9 -1.7 -13.6 -34.6 10 10 A I E - 0 0 79 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.598 55.1 -19.4-108.2 -11.2 0.6 -12.1 -32.0 11 11 A G E -A 18 0A 27 7,-1.7 7,-2.7 2,-0.0 2,-0.5 -0.994 46.5-116.7-177.3 174.5 -1.0 -13.4 -28.8 12 12 A E E -A 17 0A 131 -2,-0.3 5,-0.2 5,-0.2 21,-0.0 -0.922 40.0-167.2-130.7 94.5 -3.8 -14.8 -26.8 13 13 A G - 0 0 34 3,-2.2 5,-0.1 -2,-0.5 -2,-0.0 0.106 38.3 -93.6 -68.4-170.3 -4.8 -12.2 -24.2 14 14 A T S S+ 0 0 62 1,-0.1 3,-0.1 3,-0.0 -1,-0.1 0.867 125.1 33.6 -74.7 -39.1 -7.1 -12.8 -21.2 15 15 A Y S S- 0 0 90 1,-0.2 2,-0.3 20,-0.0 -1,-0.1 0.696 128.5 -50.3 -93.1 -25.2 -10.2 -11.6 -23.1 16 16 A G S S- 0 0 24 19,-0.2 -3,-2.2 0, 0.0 -1,-0.2 -0.973 76.7 -31.8 175.8-165.3 -9.4 -12.8 -26.6 17 17 A V E -A 12 0A 22 17,-0.3 17,-2.6 -2,-0.3 2,-0.5 -0.512 44.4-148.6 -81.5 144.6 -7.0 -13.1 -29.6 18 18 A V E -AB 11 33A 27 -7,-2.7 -8,-2.6 15,-0.2 -7,-1.7 -0.968 16.9-172.7-116.6 125.9 -4.5 -10.3 -30.4 19 19 A Y E -AB 9 32A 44 13,-2.4 13,-3.2 -2,-0.5 2,-0.4 -0.922 26.9-130.6-116.9 148.0 -3.5 -9.7 -34.0 20 20 A K E +AB 8 31A 39 -12,-3.2 -13,-3.2 -2,-0.4 -12,-1.1 -0.797 46.6 170.4 -83.6 132.7 -0.9 -7.5 -35.7 21 21 A A E -AB 6 30A 0 9,-2.7 9,-2.7 -2,-0.4 2,-0.4 -0.954 34.1-123.1-145.5 163.9 -2.8 -5.7 -38.4 22 22 A R E -AB 5 29A 100 -17,-2.6 -17,-2.4 -2,-0.3 2,-0.6 -0.959 19.1-136.7-114.3 130.3 -2.7 -2.9 -41.0 23 23 A N E > -A 4 0A 20 5,-3.5 4,-2.2 -2,-0.4 5,-0.3 -0.765 12.9-157.1 -81.3 112.9 -5.1 0.1 -41.1 24 24 A K T 4 S+ 0 0 127 -21,-2.9 -1,-0.1 -2,-0.6 -20,-0.1 0.739 87.4 53.0 -66.5 -25.9 -6.0 0.5 -44.9 25 25 A L T 4 S+ 0 0 136 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.849 125.8 19.0 -78.8 -39.2 -7.0 4.2 -44.4 26 26 A T T 4 S- 0 0 96 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.539 96.3-121.7-108.5 -14.9 -3.9 5.5 -42.7 27 27 A G < + 0 0 43 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.449 60.9 155.2 80.9 3.7 -1.3 2.8 -43.6 28 28 A E - 0 0 78 -5,-0.3 -5,-3.5 -6,-0.1 2,-0.5 -0.339 42.3-140.0 -66.5 137.7 -0.9 2.3 -39.8 29 29 A V E +B 22 0A 51 -7,-0.2 44,-0.6 -3,-0.1 2,-0.3 -0.884 37.3 166.2 -98.8 127.1 0.4 -1.0 -38.2 30 30 A V E -BC 21 72A 0 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.5 -0.837 41.2-111.9-135.2 170.4 -1.6 -1.7 -35.1 31 31 A A E -BC 20 71A 11 40,-2.7 40,-3.1 -2,-0.3 2,-0.6 -0.953 31.5-158.6-106.6 127.7 -2.4 -4.4 -32.5 32 32 A L E -BC 19 70A 4 -13,-3.2 -13,-2.4 -2,-0.5 2,-0.5 -0.944 3.1-162.9-114.7 115.6 -6.0 -5.5 -32.7 33 33 A K E -BC 18 69A 2 36,-2.9 36,-2.7 -2,-0.6 2,-0.6 -0.860 7.2-152.2-101.0 123.5 -7.6 -7.2 -29.6 34 34 A K E C 0 68A 70 -17,-2.6 -17,-0.3 -2,-0.5 34,-0.2 -0.885 360.0 360.0 -97.5 118.5 -10.9 -9.1 -30.2 35 35 A I 0 0 73 32,-3.6 32,-1.7 -2,-0.6 -19,-0.2 -0.873 360.0 360.0-101.1 360.0 -13.0 -9.2 -27.1 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 46 A S > 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -35.5 -22.7 -0.8 -22.0 38 47 A T H > + 0 0 118 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.814 360.0 53.4 -65.6 -29.1 -20.8 -0.1 -18.7 39 48 A A H > S+ 0 0 37 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.948 106.9 49.6 -67.5 -48.5 -17.9 -1.8 -20.6 40 49 A I H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.917 113.9 46.0 -56.5 -47.8 -18.3 0.6 -23.6 41 50 A R H X S+ 0 0 163 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.893 114.9 45.6 -64.7 -43.3 -18.3 3.7 -21.3 42 51 A E H X S+ 0 0 45 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.895 114.9 47.5 -69.8 -38.8 -15.3 2.6 -19.2 43 52 A I H X S+ 0 0 8 -4,-2.8 4,-0.9 1,-0.2 3,-0.5 0.914 108.6 55.0 -68.7 -38.7 -13.2 1.6 -22.3 44 53 A S H >< S+ 0 0 42 -4,-2.6 3,-0.5 -5,-0.3 4,-0.3 0.844 103.8 56.1 -62.1 -31.8 -14.1 4.9 -23.9 45 54 A L H >< S+ 0 0 109 -4,-1.4 3,-1.4 1,-0.2 4,-0.4 0.857 100.2 59.2 -66.4 -35.2 -12.7 6.6 -20.7 46 55 A L H >< S+ 0 0 11 -4,-1.2 3,-0.9 -3,-0.5 11,-0.3 0.762 90.0 70.6 -67.5 -23.4 -9.3 4.8 -21.3 47 56 A K T << S+ 0 0 66 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.710 101.5 46.9 -61.3 -24.6 -9.0 6.5 -24.8 48 57 A E T < S+ 0 0 152 -3,-1.4 2,-1.8 -4,-0.3 -1,-0.2 0.563 86.2 92.5 -92.1 -15.6 -8.3 9.7 -22.9 49 58 A L < + 0 0 15 -3,-0.9 2,-0.4 -4,-0.4 8,-0.1 -0.552 61.3 166.4 -83.6 71.2 -5.8 8.2 -20.5 50 59 A N + 0 0 69 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.799 6.7 145.8 -99.5 129.7 -2.7 9.0 -22.7 51 60 A H > - 0 0 45 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.978 55.8-113.4-155.7 149.3 0.9 8.9 -21.5 52 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.714 118.8 49.2 -62.2 -19.3 4.2 8.0 -23.1 53 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.8 48,-0.1 2,-0.4 0.150 97.9 81.1-106.4 20.7 4.5 4.9 -20.9 54 63 A I B < S-e 134 0B 11 -3,-2.1 -3,-0.4 79,-0.3 81,-0.2 -0.995 89.3-114.5-122.7 126.7 0.9 3.7 -21.6 55 64 A V - 0 0 9 79,-2.6 2,-0.2 -2,-0.4 82,-0.2 -0.419 45.0-109.4 -61.1 126.7 0.3 1.7 -24.9 56 65 A K - 0 0 90 -2,-0.1 16,-2.5 -4,-0.1 2,-0.9 -0.441 17.8-143.8 -69.6 129.5 -2.0 4.0 -26.8 57 66 A L E -D 71 0A 12 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.826 22.3-179.4 -87.6 104.0 -5.7 3.0 -27.2 58 67 A L E - 0 0 34 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.878 56.6 -15.4 -76.5 -40.5 -6.3 4.2 -30.7 59 68 A D E -D 70 0A 86 11,-1.6 11,-2.8 2,-0.0 2,-0.4 -0.988 46.7-138.0-163.7 159.3 -10.0 3.2 -31.0 60 69 A V E -D 69 0A 25 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.995 21.7-170.0-122.7 123.6 -12.9 1.1 -29.7 61 70 A I E -D 68 0A 41 7,-2.9 7,-2.9 -2,-0.4 2,-0.6 -0.959 5.9-173.1-123.2 116.1 -15.1 -0.7 -32.3 62 71 A H E +D 67 0A 105 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.929 24.9 150.9-109.7 106.4 -18.3 -2.4 -31.2 63 72 A T E > -D 66 0A 60 3,-2.2 3,-2.5 -2,-0.6 -2,-0.1 -0.994 62.3 -0.7-141.3 140.8 -19.8 -4.3 -34.1 64 73 A E T 3 S- 0 0 187 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.756 126.6 -63.6 50.3 33.4 -22.1 -7.5 -34.4 65 74 A N T 3 S+ 0 0 152 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.667 115.2 118.3 61.7 27.2 -21.9 -7.7 -30.6 66 75 A K E < - D 0 63A 88 -3,-2.5 -3,-2.2 2,-0.0 2,-0.5 -0.863 57.3-141.7-112.6 145.0 -18.1 -8.2 -30.8 67 76 A L E - D 0 62A 22 -32,-1.7 -32,-3.6 -2,-0.3 2,-0.5 -0.968 14.4-169.9-115.6 128.4 -15.7 -5.7 -29.3 68 77 A Y E -CD 34 61A 35 -7,-2.9 -7,-2.9 -2,-0.5 2,-0.5 -0.972 5.8-160.9-118.7 128.6 -12.4 -4.7 -31.0 69 78 A L E -CD 33 60A 0 -36,-2.7 -36,-2.9 -2,-0.5 2,-0.6 -0.925 7.8-154.1-107.6 125.8 -9.7 -2.6 -29.3 70 79 A V E +CD 32 59A 3 -11,-2.8 -12,-2.4 -2,-0.5 -11,-1.6 -0.919 22.5 177.8-102.2 118.2 -7.2 -1.0 -31.6 71 80 A F E -CD 31 57A 19 -40,-3.1 -40,-2.7 -2,-0.6 -14,-0.2 -0.837 37.1 -93.0-119.3 158.1 -3.8 -0.3 -30.0 72 81 A E E -C 30 0A 50 -16,-2.5 2,-0.5 -2,-0.3 -42,-0.2 -0.347 48.8-123.7 -56.9 143.5 -0.5 1.1 -30.8 73 82 A F - 0 0 39 -44,-0.6 2,-0.3 -52,-0.1 -44,-0.1 -0.859 27.0-175.2 -99.5 135.9 1.9 -1.8 -31.9 74 83 A L - 0 0 14 -2,-0.5 53,-0.1 53,-0.1 52,-0.0 -0.945 26.6-130.3-124.3 146.8 5.2 -2.5 -30.1 75 84 A H S S+ 0 0 109 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.644 78.7 17.3 -79.0 -14.9 7.6 -5.1 -31.4 76 85 A Q E -F 126 0B 16 50,-1.1 50,-2.3 204,-0.1 2,-0.3 -0.972 60.9-136.4-149.6 162.1 8.4 -7.0 -28.2 77 86 A D E > -F 125 0B 50 -2,-0.3 4,-2.1 48,-0.3 48,-0.2 -0.786 31.0-113.4-115.2 162.8 7.2 -7.7 -24.7 78 87 A L H > S+ 0 0 0 46,-2.9 4,-2.8 43,-1.0 44,-0.2 0.805 112.8 60.8 -68.1 -27.9 9.3 -7.8 -21.5 79 88 A K H > S+ 0 0 85 42,-0.8 4,-2.2 45,-0.3 -1,-0.2 0.951 109.7 42.1 -63.2 -45.1 8.6 -11.6 -21.0 80 89 A K H > S+ 0 0 128 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.922 115.0 51.4 -64.5 -42.5 10.2 -12.4 -24.3 81 90 A F H X S+ 0 0 9 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.880 110.3 48.3 -64.2 -39.9 13.1 -9.9 -23.6 82 91 A M H < S+ 0 0 20 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.905 111.9 49.3 -68.4 -38.4 13.7 -11.5 -20.2 83 92 A D H >< S+ 0 0 114 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.927 112.1 48.7 -62.3 -45.3 13.8 -15.0 -21.7 84 93 A A H 3< S+ 0 0 80 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.763 114.0 46.5 -63.6 -30.7 16.2 -13.7 -24.5 85 94 A S T 3X S+ 0 0 15 -4,-1.6 4,-3.2 -5,-0.2 -1,-0.3 0.139 80.7 111.2 -97.4 15.6 18.5 -12.1 -21.8 86 95 A A T <4 S+ 0 0 51 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.855 76.8 46.0 -60.2 -42.9 18.4 -15.2 -19.5 87 96 A L T 4 S+ 0 0 171 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.851 129.4 22.8 -71.6 -34.1 22.1 -16.2 -19.9 88 97 A T T 4 S- 0 0 113 -4,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.734 102.0-127.9-103.2 -33.9 23.5 -12.7 -19.4 89 98 A G < - 0 0 13 -4,-3.2 -3,-0.1 -7,-0.2 90,-0.1 0.242 33.7 -76.0 87.1 143.5 20.8 -10.8 -17.4 90 99 A I - 0 0 13 88,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.599 62.4-101.8 -66.5 129.7 19.3 -7.5 -18.4 91 100 A P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.293 26.9-121.3 -57.0 139.2 22.0 -4.8 -17.5 92 101 A L H 3> S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.869 111.5 56.0 -51.5 -44.0 21.2 -3.0 -14.2 93 102 A P H 3> S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 179,-0.4 0.885 110.7 46.4 -59.5 -32.9 21.0 0.6 -15.8 94 103 A L H <> S+ 0 0 7 -3,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.905 111.4 50.3 -72.5 -42.8 18.3 -0.8 -18.3 95 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.937 112.7 48.2 -56.1 -46.6 16.4 -2.5 -15.4 96 105 A K H X S+ 0 0 10 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.914 111.6 49.0 -63.7 -43.2 16.5 0.8 -13.5 97 106 A S H X S+ 0 0 4 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.921 113.2 47.3 -61.7 -45.6 15.3 2.8 -16.6 98 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.927 113.0 47.6 -62.4 -45.3 12.4 0.4 -17.2 99 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.939 112.6 50.1 -62.8 -42.7 11.4 0.4 -13.5 100 109 A F H X S+ 0 0 54 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.937 112.7 46.1 -59.2 -47.4 11.5 4.3 -13.5 101 110 A Q H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.890 111.8 50.8 -63.5 -42.8 9.4 4.5 -16.7 102 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.895 108.7 51.9 -64.6 -38.4 6.9 2.0 -15.4 103 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.856 107.8 52.6 -62.6 -36.0 6.6 4.0 -12.1 104 113 A Q H X S+ 0 0 64 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.937 111.0 46.9 -63.2 -45.6 5.9 7.2 -14.2 105 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 114.3 46.9 -57.8 -49.4 3.2 5.3 -16.1 106 115 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.908 109.5 53.3 -61.4 -44.5 1.7 4.0 -12.8 107 116 A A H X S+ 0 0 23 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.893 111.4 47.8 -60.4 -39.8 1.9 7.5 -11.1 108 117 A F H X S+ 0 0 48 -4,-2.2 4,-0.8 2,-0.2 3,-0.3 0.967 115.3 41.5 -64.8 -55.4 -0.1 9.0 -14.1 109 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.2 0.918 115.2 51.0 -61.2 -44.4 -2.8 6.3 -14.2 110 119 A H H ><5S+ 0 0 27 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.819 102.9 59.6 -63.5 -30.5 -3.1 6.3 -10.3 111 120 A S H 3<5S+ 0 0 72 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.710 107.4 47.3 -67.5 -21.9 -3.5 10.1 -10.3 112 121 A H T <<5S- 0 0 89 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.171 121.9-112.2-100.0 11.4 -6.6 9.6 -12.5 113 122 A R T < 5S+ 0 0 192 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.792 72.9 139.5 59.7 35.2 -7.8 6.8 -10.0 114 123 A V < - 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