==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-MAY-05 1ZM7 . COMPND 2 MOLECULE: DEOXYNUCLEOSIDE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.WELIN,T.SKOVGAARD,W.KNECHT,D.BERENSTEIN,B.MUNCH-PETERSEN, . 790 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 69 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.5 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 4 0 8 8 0 0 0 4 0 0 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 8 4 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 12 A T 0 0 150 0, 0.0 201,-0.5 0, 0.0 202,-0.2 0.000 360.0 360.0 360.0 114.0 27.5 1.2 36.4 2 13 A K > - 0 0 79 199,-0.1 3,-1.7 1,-0.1 130,-0.2 -0.370 360.0 -94.5 -79.0 148.8 29.0 2.6 33.2 3 14 A Y B 3 S+a 132 0A 45 128,-2.6 130,-2.9 1,-0.2 197,-0.1 -0.374 111.8 16.4 -57.6 141.8 32.6 2.5 32.2 4 15 A A T > S+ 0 0 7 195,-0.5 3,-2.0 1,-0.2 4,-0.3 0.373 86.5 156.3 66.8 0.6 34.5 5.8 33.2 5 16 A E T < S+ 0 0 90 -3,-1.7 -1,-0.2 1,-0.3 77,-0.0 -0.326 70.6 6.9 -55.2 130.3 31.6 6.8 35.6 6 17 A G T 3 S+ 0 0 80 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.571 106.8 94.9 70.8 11.7 33.0 9.2 38.3 7 18 A T < + 0 0 69 -3,-2.0 78,-0.5 2,-0.1 -2,-0.1 0.417 66.7 87.7-106.1 -1.2 36.5 9.5 36.6 8 19 A Q - 0 0 22 -4,-0.3 3,-0.1 76,-0.1 -2,-0.1 -0.845 60.6-147.3-114.6 134.7 35.7 12.7 34.7 9 20 A P - 0 0 21 0, 0.0 80,-0.2 0, 0.0 79,-0.1 -0.200 57.4 -52.2 -75.9 176.3 36.0 16.4 35.5 10 21 A F E -b 89 0B 109 78,-0.7 80,-2.5 126,-0.1 2,-0.4 -0.320 69.6-151.9 -44.8 126.9 33.8 19.2 34.2 11 22 A T E -b 90 0B 1 78,-0.2 126,-2.2 -3,-0.1 127,-1.8 -0.952 17.1-165.7-124.3 132.2 33.9 18.7 30.5 12 23 A V E -bc 91 138B 10 78,-3.1 80,-2.8 -2,-0.4 2,-0.4 -0.937 7.6-157.1-114.0 132.4 33.4 21.2 27.6 13 24 A L E -bc 92 139B 0 125,-2.8 127,-3.0 -2,-0.4 2,-0.6 -0.923 7.2-147.8-109.0 132.2 32.8 20.1 24.0 14 25 A I E +bc 93 140B 1 78,-3.1 80,-3.0 -2,-0.4 2,-0.3 -0.895 27.7 173.2 -99.7 122.9 33.7 22.4 21.1 15 26 A E E + c 0 141B 0 125,-3.2 127,-3.2 -2,-0.6 2,-0.2 -0.835 13.8 114.9-128.8 161.3 31.4 22.0 18.2 16 27 A G E - c 0 142B 0 -2,-0.3 127,-0.1 125,-0.2 3,-0.1 -0.802 61.0 -56.0 154.7 168.0 30.7 23.6 14.8 17 28 A N S > S- 0 0 3 125,-0.5 3,-2.0 -2,-0.2 5,-0.3 -0.048 71.6 -72.9 -62.5 165.9 30.8 22.9 11.2 18 29 A I T 3 S+ 0 0 15 1,-0.3 135,-0.2 2,-0.1 -1,-0.2 -0.439 126.4 16.6 -54.2 129.2 33.9 21.8 9.3 19 30 A G T 3 S+ 0 0 3 133,-0.1 -1,-0.3 -2,-0.1 133,-0.2 0.670 85.9 124.6 77.9 17.6 36.1 24.9 9.1 20 31 A S S < S- 0 0 2 -3,-2.0 -2,-0.1 -4,-0.1 -3,-0.1 0.624 85.0-104.5 -82.4 -13.5 34.3 26.7 11.8 21 32 A G > + 0 0 19 -4,-0.2 4,-2.7 -5,-0.1 5,-0.2 0.737 69.1 145.8 100.4 29.8 37.5 27.2 13.8 22 33 A K H > S+ 0 0 13 -5,-0.3 4,-2.6 2,-0.2 5,-0.1 0.926 78.9 43.7 -63.6 -43.7 37.3 24.6 16.6 23 34 A T H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 113.8 50.5 -66.9 -49.6 41.0 23.9 16.6 24 35 A T H > S+ 0 0 90 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.930 112.5 48.3 -48.6 -52.3 41.9 27.6 16.4 25 36 A Y H >< S+ 0 0 67 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.932 111.9 48.0 -55.5 -50.0 39.5 28.3 19.3 26 37 A L H >< S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.783 98.7 69.5 -64.5 -30.1 41.0 25.5 21.4 27 38 A N H >< S+ 0 0 62 -4,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.733 85.1 70.2 -58.9 -25.1 44.6 26.7 20.7 28 39 A H T << S+ 0 0 131 -3,-1.3 -1,-0.3 -4,-0.7 3,-0.2 0.606 93.3 57.3 -69.6 -10.0 43.9 29.8 22.8 29 40 A F T X S+ 0 0 48 -3,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.370 75.5 105.1 -98.5 1.6 43.9 27.5 25.9 30 41 A E G X S+ 0 0 112 -3,-1.5 3,-2.0 1,-0.3 -1,-0.2 0.849 72.4 56.8 -50.1 -46.6 47.4 26.2 25.2 31 42 A K G 3 S+ 0 0 163 1,-0.3 3,-0.4 -3,-0.2 -1,-0.3 0.737 103.8 55.1 -64.7 -21.0 49.1 28.2 27.9 32 43 A Y G X> + 0 0 120 -3,-1.4 3,-2.5 1,-0.2 4,-1.4 0.211 69.8 125.3 -95.3 15.2 46.8 26.6 30.5 33 44 A K T <4 + 0 0 106 -3,-2.0 5,-0.2 1,-0.3 -1,-0.2 0.721 67.6 58.4 -41.4 -33.1 47.9 23.1 29.4 34 45 A N T 34 S+ 0 0 137 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.604 114.5 32.5 -84.4 -12.8 48.9 22.2 32.9 35 46 A D T <4 S+ 0 0 120 -3,-2.5 53,-0.7 1,-0.2 54,-0.5 0.447 116.6 58.4-117.4 -6.4 45.5 22.8 34.6 36 47 A I E < S-d 89 0B 16 -4,-1.4 2,-0.8 -7,-0.1 54,-0.2 -0.990 74.1-134.5-126.4 129.9 43.2 21.8 31.6 37 48 A C E -d 90 0B 17 52,-3.1 54,-2.9 -2,-0.4 2,-0.6 -0.743 31.0-165.3 -75.1 112.0 43.1 18.5 29.8 38 49 A L E -d 91 0B 11 -2,-0.8 2,-0.6 -5,-0.2 54,-0.2 -0.913 15.4-178.4-109.8 116.2 43.0 19.6 26.1 39 50 A L E +d 92 0B 45 52,-2.7 54,-2.7 -2,-0.6 2,-0.2 -0.872 23.6 166.2-116.7 98.3 42.0 17.1 23.4 40 51 A T + 0 0 56 -2,-0.6 -17,-0.1 52,-0.2 -2,-0.0 -0.667 42.0 13.7-116.3 161.1 42.3 18.8 20.1 41 52 A E > + 0 0 50 -2,-0.2 3,-2.2 1,-0.1 4,-0.3 0.777 52.9 176.5 48.9 50.7 42.3 18.0 16.4 42 53 A P T >> + 0 0 8 0, 0.0 3,-1.3 0, 0.0 4,-1.1 0.688 67.6 82.4 -58.9 -18.4 41.1 14.4 16.4 43 54 A V H 3> S+ 0 0 12 1,-0.3 4,-1.6 2,-0.2 12,-0.2 0.766 77.3 69.2 -57.3 -28.5 41.2 14.5 12.5 44 55 A E H <4 S+ 0 0 95 -3,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.863 99.4 48.8 -61.0 -34.5 44.9 13.7 12.7 45 56 A K H X4 S+ 0 0 89 -3,-1.3 3,-1.3 -4,-0.3 -1,-0.2 0.911 109.6 51.7 -64.6 -42.6 44.1 10.2 14.0 46 57 A W H 3< S+ 0 0 28 -4,-1.1 9,-1.5 1,-0.3 8,-0.8 0.725 107.2 53.9 -72.5 -21.6 41.5 9.7 11.2 47 58 A R T 3< S+ 0 0 58 -4,-1.6 -1,-0.3 1,-0.2 2,-0.2 0.523 118.0 33.2 -87.6 -7.4 44.1 10.7 8.6 48 59 A N < + 0 0 100 -3,-1.3 2,-0.8 -4,-0.3 -1,-0.2 -0.664 58.6 166.9-153.3 88.9 46.6 8.1 9.8 49 60 A V B > S-F 52 0C 2 3,-2.9 3,-2.3 -3,-0.2 268,-0.1 -0.906 91.5 -37.4-107.5 101.5 45.5 4.8 11.2 50 61 A N T 3 S- 0 0 106 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.877 127.9 -41.5 42.7 42.7 48.8 2.8 11.3 51 62 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.355 114.8 118.7 93.4 -8.4 49.6 4.5 8.0 52 63 A V B < -F 49 0C 19 -3,-2.3 -3,-2.9 261,-0.1 2,-1.3 -0.822 58.0-143.1 -97.7 127.2 46.1 4.3 6.4 53 64 A D > + 0 0 42 -2,-0.5 4,-2.0 -5,-0.2 -6,-0.2 -0.696 24.8 173.3 -86.8 87.6 44.4 7.6 5.5 54 65 A L H > S+ 0 0 0 -2,-1.3 4,-2.3 -8,-0.8 -7,-0.2 0.855 76.8 58.3 -64.5 -36.4 40.7 6.6 6.4 55 66 A L H > S+ 0 0 7 -9,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.938 108.1 46.1 -57.2 -48.7 39.6 10.2 5.8 56 67 A E H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 111.7 50.3 -59.9 -49.1 40.9 10.1 2.2 57 68 A L H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 8,-0.3 0.863 108.9 53.6 -60.5 -36.1 39.3 6.7 1.5 58 69 A M H < S+ 0 0 8 -4,-2.3 7,-0.2 7,-0.2 -1,-0.2 0.940 110.8 44.3 -65.7 -47.9 36.0 7.9 2.8 59 70 A Y H < S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.854 116.9 46.5 -64.8 -34.0 35.9 10.9 0.5 60 71 A K H < S+ 0 0 151 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 133.3 12.8 -77.0 -34.0 37.1 8.9 -2.5 61 72 A D >X + 0 0 75 -4,-2.2 4,-2.5 -5,-0.2 3,-1.3 -0.520 67.4 167.3-144.7 69.9 34.7 6.0 -2.0 62 73 A P H 3> S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 5,-0.4 0.821 73.5 63.1 -58.4 -33.3 31.9 6.8 0.5 63 74 A K H 34 S+ 0 0 105 1,-0.2 51,-0.2 2,-0.2 4,-0.1 0.763 118.3 27.2 -68.8 -23.5 29.7 3.8 -0.3 64 75 A K H <4 S+ 0 0 43 -3,-1.3 -1,-0.2 -7,-0.2 -6,-0.1 0.762 132.2 33.7-101.1 -33.7 32.5 1.4 0.9 65 76 A W H X S+ 0 0 12 -4,-2.5 4,-2.3 -8,-0.3 5,-0.2 0.585 91.3 82.9-108.5 -14.6 34.4 3.5 3.4 66 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.908 94.2 50.2 -59.4 -41.5 31.8 5.8 5.2 67 78 A M H > S+ 0 0 2 -5,-0.4 4,-2.6 45,-0.2 5,-0.2 0.977 114.5 39.9 -65.7 -55.5 30.8 3.0 7.6 68 79 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.908 116.8 53.3 -60.6 -37.0 34.3 1.9 8.8 69 80 A F H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.954 111.8 42.7 -61.2 -49.2 35.4 5.6 8.9 70 81 A Q H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.868 112.3 55.5 -66.1 -32.9 32.4 6.6 11.1 71 82 A S H X S+ 0 0 3 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.927 109.8 45.4 -62.5 -42.8 33.0 3.6 13.2 72 83 A Y H X S+ 0 0 19 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.914 110.4 53.7 -68.7 -41.2 36.6 4.7 13.7 73 84 A V H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.945 108.7 50.6 -53.9 -47.3 35.5 8.3 14.5 74 85 A T H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.929 110.3 49.6 -58.1 -46.7 33.1 6.9 17.1 75 86 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.928 109.9 48.6 -59.8 -48.9 35.9 4.9 18.7 76 87 A T H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.878 111.5 50.6 -64.0 -35.9 38.4 7.8 18.9 77 88 A M H X S+ 0 0 2 -4,-2.3 4,-3.5 -5,-0.2 5,-0.2 0.942 109.7 50.5 -64.3 -48.2 35.8 10.1 20.4 78 89 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 109.0 51.3 -53.5 -44.3 34.9 7.4 23.0 79 90 A Q H X S+ 0 0 61 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.881 114.6 44.3 -62.8 -37.9 38.7 7.0 23.9 80 91 A S H >< S+ 0 0 9 -4,-1.8 3,-0.7 2,-0.2 -2,-0.2 0.936 111.8 50.8 -71.3 -48.5 38.8 10.8 24.3 81 92 A H H 3< S+ 0 0 3 -4,-3.5 54,-0.3 1,-0.2 -2,-0.2 0.852 120.4 36.9 -53.3 -39.4 35.6 11.1 26.3 82 93 A T H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.425 83.0 127.7 -99.1 0.1 36.8 8.3 28.7 83 94 A A << - 0 0 29 -3,-0.7 2,-0.1 -4,-0.6 -3,-0.1 -0.319 63.3-115.1 -59.3 136.2 40.6 9.2 28.9 84 95 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -76,-0.1 -0.446 41.5 168.4 -73.3 146.2 41.7 9.5 32.5 85 96 A T - 0 0 33 -78,-0.5 5,-0.0 -2,-0.1 -48,-0.0 -0.973 38.2-153.8-155.6 147.6 43.0 12.8 33.8 86 97 A N + 0 0 171 -2,-0.3 -1,-0.1 -78,-0.0 -78,-0.0 0.619 68.7 109.0 -90.0 -15.7 43.8 14.5 37.2 87 98 A K S S- 0 0 70 1,-0.1 -51,-0.1 2,-0.1 -2,-0.1 -0.127 71.2-134.0 -60.3 156.4 43.0 17.9 35.8 88 99 A K S S+ 0 0 191 -53,-0.7 -78,-0.7 1,-0.1 2,-0.3 0.493 87.4 44.1 -96.2 -5.6 39.9 19.7 37.0 89 100 A L E -bd 10 36B 51 -54,-0.5 -52,-3.1 -80,-0.2 2,-0.4 -0.997 62.2-166.9-140.6 135.3 38.7 20.8 33.5 90 101 A K E -bd 11 37B 0 -80,-2.5 -78,-3.1 -2,-0.3 2,-0.4 -0.987 3.6-173.3-120.9 130.3 38.6 18.9 30.2 91 102 A I E -bd 12 38B 6 -54,-2.9 -52,-2.7 -2,-0.4 2,-0.4 -0.991 8.4-172.5-123.1 128.6 38.0 20.5 26.8 92 103 A M E -bd 13 39B 1 -80,-2.8 -78,-3.1 -2,-0.4 2,-0.5 -0.948 25.8-131.7-124.1 134.0 37.5 18.4 23.7 93 104 A E E S-b 14 0B 15 -54,-2.7 -78,-0.2 -2,-0.4 -80,-0.0 -0.759 82.5 -16.0 -75.1 123.0 37.2 19.3 20.0 94 105 A R S S- 0 0 19 -80,-3.0 2,-0.3 -2,-0.5 -80,-0.3 0.078 71.9-138.7 68.8-179.8 34.1 17.4 18.8 95 106 A S > - 0 0 1 -82,-0.1 4,-1.4 1,-0.0 3,-0.3 -0.961 33.5 -93.1-164.6 165.7 32.2 14.6 20.5 96 107 A I H > S+ 0 0 9 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.796 119.5 66.0 -58.7 -27.1 30.5 11.3 19.9 97 108 A F H > S+ 0 0 27 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.914 100.4 43.9 -66.0 -45.8 27.3 13.4 19.5 98 109 A S H >>S+ 0 0 1 -3,-0.3 5,-1.9 2,-0.2 4,-1.8 0.873 110.8 55.9 -70.0 -34.4 28.2 15.3 16.4 99 110 A A H <>S+ 0 0 3 -4,-1.4 5,-3.0 3,-0.2 6,-0.3 0.959 118.9 34.4 -56.3 -48.4 29.5 12.2 14.8 100 111 A R H <>S+ 0 0 29 -4,-2.1 5,-1.0 3,-0.2 -2,-0.2 0.962 124.8 36.8 -72.7 -55.1 26.1 10.6 15.4 101 112 A Y H <5S+ 0 0 14 -4,-3.6 -3,-0.2 3,-0.1 -2,-0.1 0.723 131.8 20.8 -79.0 -23.9 23.6 13.5 15.0 102 113 A C T X5S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.4 -3,-0.2 0.813 128.7 32.0-107.5 -60.1 25.4 15.4 12.1 103 114 A F H >S+ 0 0 2 -4,-2.5 6,-1.8 2,-0.2 5,-1.2 0.849 109.6 50.2 -69.2 -34.9 25.7 10.2 5.3 108 119 A R H ><5S+ 0 0 44 -4,-2.4 3,-1.1 4,-0.2 -2,-0.2 0.952 111.6 48.6 -61.3 -50.0 22.4 8.3 5.7 109 120 A R H 3<5S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.850 113.3 45.9 -61.6 -36.3 20.5 11.1 3.9 110 121 A N T 3<5S- 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.442 114.8-111.7 -89.3 0.9 23.0 11.3 1.0 111 122 A G T < 5S+ 0 0 27 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.513 84.3 118.8 85.6 4.9 23.2 7.6 0.4 112 123 A S S > - 0 0 67 -2,-0.6 4,-2.5 -51,-0.2 3,-1.0 -0.348 34.2 -99.4 -65.0 159.9 23.1 2.0 3.3 115 126 A Q H 3> S+ 0 0 47 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.893 124.0 52.4 -50.7 -47.6 20.3 1.4 5.7 116 127 A G H 3> S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.789 110.0 48.3 -62.1 -29.7 22.0 -1.6 7.2 117 128 A M H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.910 112.3 48.8 -75.5 -43.7 25.2 0.3 7.8 118 129 A Y H X S+ 0 0 20 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