==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAY-00 1EZI . COMPND 2 MOLECULE: CMP-N-ACETYLNEURAMINIC ACID SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR S.C.MOSIMANN,M.GILBERT,D.DOMBROWSKI,W.WAKARCHUK, . 429 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 10.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 0 0 2 2 3 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 0 4 1 3 2 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 . 2 0 0 0 0 0 0 2 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 X 0 0 127 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 164.2 5.2 2.9 -12.8 2 2 A E - 0 0 156 1,-0.1 90,-0.2 88,-0.0 0, 0.0 -0.411 360.0-107.8 -68.7 136.6 2.7 5.7 -12.0 3 3 A K - 0 0 103 -2,-0.1 2,-0.3 90,-0.1 90,-0.3 -0.307 39.2-167.9 -62.4 148.7 1.9 6.2 -8.3 4 4 A Q E -a 93 0A 34 88,-1.8 90,-2.2 -3,-0.1 2,-0.8 -0.995 22.6-133.9-141.6 144.4 -1.6 5.0 -7.3 5 5 A N E -a 94 0A 29 -2,-0.3 41,-2.8 88,-0.2 42,-1.7 -0.892 33.6-167.6-101.7 108.2 -3.6 5.6 -4.1 6 6 A I E -ab 95 47A 0 88,-3.1 90,-3.1 -2,-0.8 2,-0.5 -0.821 17.7-159.7-105.2 133.6 -5.0 2.2 -3.2 7 7 A A E -ab 96 48A 0 40,-2.5 42,-2.7 -2,-0.4 2,-0.5 -0.924 11.7-166.6-105.4 130.3 -7.7 1.3 -0.7 8 8 A V E -ab 97 49A 0 88,-3.5 90,-2.3 -2,-0.5 2,-0.7 -0.975 4.0-169.9-121.0 118.0 -7.6 -2.3 0.5 9 9 A I E - b 0 50A 0 40,-3.2 42,-3.0 -2,-0.5 2,-0.7 -0.931 9.7-156.3-108.0 108.3 -10.6 -3.6 2.4 10 10 A L E + b 0 51A 24 -2,-0.7 2,-0.3 40,-0.2 42,-0.2 -0.795 24.9 162.0 -87.4 118.0 -9.8 -7.1 3.9 11 11 A A - 0 0 1 40,-2.9 42,-0.3 -2,-0.7 43,-0.3 -0.811 20.7-163.5-143.3 98.1 -13.1 -8.9 4.4 12 12 A R - 0 0 109 -2,-0.3 10,-0.4 40,-0.2 3,-0.2 -0.450 15.1-142.3 -75.6 153.0 -13.3 -12.6 4.9 13 13 A Q S S+ 0 0 53 1,-0.2 2,-2.1 -2,-0.1 7,-0.3 0.951 91.8 56.2 -82.7 -53.3 -16.7 -14.2 4.4 14 14 A N S S- 0 0 114 6,-0.1 2,-0.3 5,-0.1 -1,-0.2 -0.540 84.9-161.0 -82.5 79.0 -16.7 -16.8 7.1 15 15 A S - 0 0 5 -2,-2.1 2,-0.3 -3,-0.2 5,-0.2 -0.441 16.8-125.3 -65.0 120.9 -16.1 -14.4 9.9 16 16 A K S S+ 0 0 69 -2,-0.3 2,-0.7 3,-0.1 -1,-0.1 -0.534 90.2 9.4 -67.8 126.9 -14.7 -16.2 13.0 17 17 A G S S+ 0 0 71 -2,-0.3 189,-0.1 -3,-0.0 -1,-0.1 -0.921 128.6 42.7 105.8-114.4 -17.0 -15.1 15.8 18 18 A L S > S- 0 0 16 -2,-0.7 3,-1.1 187,-0.5 -3,-0.2 -0.578 99.9-121.5 -69.6 105.7 -20.1 -13.3 14.5 19 19 A P T 3 S- 0 0 88 0, 0.0 -5,-0.1 0, 0.0 -3,-0.1 -0.170 84.3 -5.0 -52.9 135.2 -20.9 -15.6 11.4 20 20 A L T 3> S+ 0 0 45 -7,-0.3 4,-0.5 -5,-0.2 3,-0.2 0.887 84.9 162.8 42.4 48.6 -20.9 -13.9 8.0 21 21 A K T X4 + 0 0 16 -3,-1.1 3,-0.9 1,-0.2 10,-0.4 0.892 63.9 56.4 -62.3 -46.0 -20.3 -10.6 9.8 22 22 A N T 34 S+ 0 0 6 -10,-0.4 10,-2.1 1,-0.3 9,-0.6 0.855 111.8 43.3 -59.0 -34.7 -19.1 -8.6 6.8 23 23 A L T 34 S+ 0 0 45 -10,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.577 89.9 118.0 -85.7 -9.4 -22.3 -9.4 4.9 24 24 A R << - 0 0 70 -3,-0.9 7,-1.4 -4,-0.5 2,-0.3 -0.369 69.1-120.5 -61.1 129.0 -24.3 -8.7 8.1 25 25 A K E -I 30 0B 140 5,-0.2 2,-0.5 -2,-0.1 5,-0.2 -0.564 26.7-174.5 -79.5 133.9 -26.7 -5.8 7.5 26 26 A X E > S-I 29 0B 0 3,-2.6 3,-1.0 -2,-0.3 185,-0.0 -0.929 79.7 -24.2-129.3 101.3 -26.5 -2.7 9.6 27 27 A N T 3 S- 0 0 69 -2,-0.5 2,-0.1 1,-0.2 -1,-0.1 0.907 127.0 -47.6 60.0 48.2 -29.4 -0.4 8.7 28 28 A G T 3 S+ 0 0 52 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.082 123.4 86.0 91.0 -34.3 -30.0 -1.8 5.3 29 29 A I E < S-I 26 0B 64 -3,-1.0 -3,-2.6 -2,-0.1 -1,-0.1 -0.823 80.5-112.5-106.6 140.6 -26.4 -1.8 4.0 30 30 A S E > -I 25 0B 2 -2,-0.4 4,-2.0 -5,-0.2 -5,-0.2 -0.223 27.7-115.0 -63.0 157.6 -23.9 -4.6 4.6 31 31 A L H > S+ 0 0 0 -7,-1.4 4,-1.8 -9,-0.6 5,-0.2 0.935 121.0 51.5 -59.9 -44.5 -20.9 -3.8 6.9 32 32 A L H > S+ 0 0 0 -10,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.916 107.2 54.5 -56.9 -44.1 -18.7 -4.2 3.8 33 33 A G H > S+ 0 0 0 -11,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.877 103.2 54.7 -57.5 -42.2 -20.9 -1.8 2.0 34 34 A H H X S+ 0 0 28 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.927 113.4 41.9 -59.6 -45.6 -20.5 0.9 4.6 35 35 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.881 113.6 51.3 -71.3 -37.6 -16.7 0.7 4.4 36 36 A I H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.937 110.2 51.1 -63.5 -42.1 -16.8 0.5 0.6 37 37 A N H X S+ 0 0 60 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.865 108.6 51.1 -59.9 -38.6 -19.0 3.6 0.6 38 38 A A H X S+ 0 0 4 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.910 112.1 47.5 -65.5 -42.1 -16.6 5.4 2.8 39 39 A A H X S+ 0 0 1 -4,-2.3 4,-0.7 2,-0.2 6,-0.4 0.930 115.0 45.3 -64.6 -45.7 -13.8 4.5 0.4 40 40 A I H >< S+ 0 0 62 -4,-3.2 3,-2.0 1,-0.2 5,-0.2 0.996 115.6 44.9 -62.2 -59.9 -15.8 5.6 -2.6 41 41 A S H 3< S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 97.7 74.0 -53.5 -36.3 -17.0 8.9 -1.0 42 42 A S H 3< S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.806 82.1-156.6 -47.8 -31.7 -13.5 9.7 0.3 43 43 A K << + 0 0 160 -3,-2.0 -1,-0.2 -4,-0.7 -2,-0.1 0.662 63.6 110.0 60.0 15.0 -12.5 10.5 -3.3 44 44 A C + 0 0 26 -5,-0.4 2,-0.4 -4,-0.1 -1,-0.1 0.577 57.0 79.8 -94.7 -11.3 -9.0 9.7 -2.1 45 45 A F - 0 0 24 -6,-0.4 -39,-0.2 -5,-0.2 3,-0.1 -0.800 47.7-170.4-111.0 146.8 -8.4 6.5 -4.0 46 46 A D S S+ 0 0 95 -41,-2.8 2,-0.4 -2,-0.4 -40,-0.2 0.797 90.9 21.2 -86.8 -37.8 -7.5 5.6 -7.5 47 47 A R E -b 6 0A 63 -42,-1.7 -40,-2.5 2,-0.0 2,-0.5 -0.992 64.7-164.5-134.6 140.4 -8.3 1.9 -6.9 48 48 A I E -b 7 0A 20 -2,-0.4 19,-2.4 -42,-0.2 2,-0.4 -0.996 14.5-173.9-128.1 122.3 -10.4 0.3 -4.2 49 49 A I E -bc 8 67A 0 -42,-2.7 -40,-3.2 -2,-0.5 2,-0.5 -0.970 15.9-156.8-121.3 131.1 -9.9 -3.4 -3.7 50 50 A V E -bc 9 68A 0 17,-2.4 19,-2.2 -2,-0.4 2,-0.5 -0.922 15.5-155.0-103.5 127.1 -11.9 -5.8 -1.5 51 51 A S E +bc 10 69A 0 -42,-3.0 -40,-2.9 -2,-0.5 2,-0.3 -0.916 31.4 141.7-103.1 129.3 -9.8 -8.8 -0.6 52 52 A T E - c 0 70A 0 17,-2.5 19,-2.8 -2,-0.5 -40,-0.2 -0.969 53.0-142.8-158.7 173.7 -11.9 -11.9 0.2 53 53 A D S S+ 0 0 46 -42,-0.3 2,-0.4 -2,-0.3 -41,-0.1 0.167 77.3 87.9-126.8 12.4 -12.4 -15.6 0.1 54 54 A G > - 0 0 4 -43,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.957 64.2-148.1-121.1 130.4 -16.1 -15.7 -0.2 55 55 A G H > S+ 0 0 46 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.825 102.7 53.5 -60.4 -31.9 -18.1 -15.5 -3.5 56 56 A L H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 109.4 46.1 -72.3 -37.4 -20.9 -13.6 -1.7 57 57 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.938 113.1 51.0 -67.6 -44.8 -18.5 -11.0 -0.3 58 58 A A H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.917 110.0 50.9 -56.1 -45.0 -17.0 -10.7 -3.8 59 59 A E H X S+ 0 0 119 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.932 110.5 47.1 -59.1 -50.1 -20.5 -10.3 -5.2 60 60 A E H X S+ 0 0 40 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.938 112.1 52.0 -56.1 -48.6 -21.4 -7.5 -2.8 61 61 A A H ><>S+ 0 0 0 -4,-2.9 5,-1.6 1,-0.2 3,-1.1 0.914 109.1 48.4 -55.1 -49.0 -18.0 -5.8 -3.6 62 62 A K H ><5S+ 0 0 134 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.840 104.1 62.1 -62.9 -32.1 -18.6 -5.9 -7.3 63 63 A N H 3<5S+ 0 0 127 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.718 101.6 51.4 -66.3 -22.7 -22.1 -4.5 -6.8 64 64 A F T <<5S- 0 0 54 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.333 121.3-112.5 -94.4 5.6 -20.5 -1.4 -5.3 65 65 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.809 73.3 124.7 72.0 31.8 -18.4 -1.1 -8.4 66 66 A V < - 0 0 19 -5,-1.6 -1,-0.2 1,-0.1 -17,-0.2 -0.728 62.5 -91.6-117.7 169.3 -14.9 -1.9 -6.8 67 67 A E E -c 49 0A 66 -19,-2.4 -17,-2.4 -2,-0.2 2,-0.4 -0.363 33.6-151.3 -77.3 159.8 -12.2 -4.4 -7.6 68 68 A V E -c 50 0A 36 -19,-0.2 2,-0.4 -2,-0.1 -17,-0.2 -0.994 10.2-169.7-135.1 138.4 -12.0 -7.8 -5.9 69 69 A V E -c 51 0A 8 -19,-2.2 -17,-2.5 -2,-0.4 2,-0.5 -0.999 20.2-139.7-125.7 127.6 -9.0 -10.0 -5.2 70 70 A L E -c 52 0A 117 -2,-0.4 -17,-0.2 -19,-0.2 3,-0.1 -0.791 18.3-159.1 -91.5 126.2 -9.7 -13.6 -4.1 71 71 A R - 0 0 68 -19,-2.8 9,-0.0 -2,-0.5 -2,-0.0 -0.627 33.8 -83.0-101.1 158.6 -7.4 -14.8 -1.3 72 72 A P 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.303 360.0 360.0 -58.7 147.8 -6.7 -18.4 -0.5 73 73 A A 0 0 129 -3,-0.1 -20,-0.1 -20,-0.0 -2,-0.1 0.966 360.0 360.0 -55.5 360.0 -9.3 -19.9 1.8 74 ! 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 75 80 A A > 0 0 115 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 0.5 0.7 -10.6 10.5 76 81 A S H > + 0 0 104 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.736 360.0 55.7 -83.8 -22.4 -2.1 -12.0 8.3 77 82 A S H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.949 105.7 50.0 -72.1 -46.9 -3.4 -8.6 7.5 78 83 A I H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.886 111.0 50.4 -58.8 -38.5 -0.1 -7.4 6.2 79 84 A S H X S+ 0 0 73 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.888 109.5 50.9 -67.1 -37.2 0.1 -10.5 4.0 80 85 A G H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.912 113.5 43.9 -65.6 -43.4 -3.4 -9.8 2.7 81 86 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.940 113.6 50.8 -67.9 -43.5 -2.6 -6.2 1.8 82 87 A I H X S+ 0 0 26 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.925 110.7 50.1 -59.8 -40.9 0.7 -7.3 0.3 83 88 A H H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.898 110.1 49.5 -64.1 -42.0 -1.1 -9.9 -1.8 84 89 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.939 112.0 48.9 -61.9 -47.3 -3.7 -7.4 -3.0 85 90 A L H X>S+ 0 0 1 -4,-2.8 5,-2.3 1,-0.2 4,-1.1 0.931 113.2 46.1 -59.3 -46.6 -1.0 -5.0 -4.0 86 91 A E H <5S+ 0 0 136 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.896 109.8 56.6 -64.0 -37.2 0.9 -7.7 -5.8 87 92 A T H <5S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 113.1 37.2 -63.4 -44.6 -2.2 -8.8 -7.5 88 93 A I H <5S- 0 0 30 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.623 113.6-119.8 -84.6 -4.7 -3.1 -5.5 -9.0 89 94 A G T <5 + 0 0 47 -4,-1.1 2,-0.5 -5,-0.2 -3,-0.2 0.880 62.4 142.2 74.9 39.2 0.6 -4.9 -9.7 90 95 A S < + 0 0 4 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.957 14.1 151.7-116.6 124.9 1.1 -1.7 -7.6 91 96 A N + 0 0 97 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.042 63.5 68.6-133.9 21.8 4.2 -1.1 -5.6 92 97 A S S S+ 0 0 36 -90,-0.2 -88,-1.8 85,-0.1 2,-0.4 -0.981 81.4 27.7-149.0 132.0 4.1 2.7 -5.7 93 98 A G E S-a 4 0A 8 -2,-0.3 84,-2.9 -90,-0.3 2,-0.3 -0.982 97.4 -40.8 125.7-135.1 1.7 5.3 -4.3 94 99 A T E -aD 5 176A 11 -90,-2.2 -88,-3.1 -2,-0.4 2,-0.4 -0.940 42.7-157.0-130.9 156.0 -0.2 4.9 -1.1 95 100 A V E -aD 6 175A 1 80,-3.0 80,-1.6 -2,-0.3 2,-0.5 -0.993 7.6-168.5-135.2 126.1 -2.0 1.9 0.4 96 101 A T E -aD 7 174A 0 -90,-3.1 -88,-3.5 -2,-0.4 2,-0.5 -0.966 12.4-148.4-118.7 127.6 -4.7 2.3 3.0 97 102 A L E -aD 8 173A 4 76,-2.1 76,-1.3 -2,-0.5 2,-0.4 -0.811 16.9-174.7 -90.4 132.5 -6.2 -0.7 4.9 98 103 A L - 0 0 0 -90,-2.3 74,-0.2 -2,-0.5 73,-0.1 -0.904 12.6-150.1-131.9 100.5 -9.9 -0.0 5.7 99 104 A Q > - 0 0 44 71,-0.7 3,-1.5 -2,-0.4 -88,-0.1 -0.523 11.6-142.7 -76.3 132.3 -11.4 -2.7 7.9 100 105 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.526 93.8 80.5 -70.2 -2.7 -15.1 -3.3 7.4 101 106 A T T 3 S+ 0 0 19 1,-0.2 103,-3.0 69,-0.2 3,-0.1 0.467 82.8 65.4 -82.2 1.5 -15.4 -3.8 11.2 102 107 A S X + 0 0 0 -3,-1.5 3,-1.8 101,-0.2 -1,-0.2 -0.588 60.3 164.2-121.0 67.4 -15.4 0.1 11.6 103 108 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 0.574 70.5 59.9 -61.8 -11.5 -18.7 0.9 9.9 104 109 A L T 3 S+ 0 0 13 98,-0.4 2,-0.8 96,-0.2 98,-0.1 0.290 76.3 101.4-102.1 8.9 -18.8 4.4 11.4 105 110 A R < - 0 0 1 -3,-1.8 -67,-0.1 97,-0.1 -3,-0.1 -0.844 64.0-161.0 -93.7 110.7 -15.6 5.5 9.8 106 111 A T > - 0 0 62 -2,-0.8 4,-2.0 1,-0.1 5,-0.1 -0.208 34.0-100.9 -90.3 178.9 -16.7 7.7 6.9 107 112 A G H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.890 124.9 53.5 -63.8 -40.4 -15.3 9.0 3.6 108 113 A A H > S+ 0 0 36 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.933 105.5 53.2 -61.9 -43.9 -14.8 12.3 5.4 109 114 A H H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.931 112.2 45.8 -55.7 -42.5 -12.9 10.6 8.2 110 115 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.926 112.4 49.6 -65.6 -45.5 -10.7 9.1 5.5 111 116 A R H X S+ 0 0 121 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.961 114.5 45.6 -57.8 -49.6 -10.3 12.4 3.7 112 117 A E H < S+ 0 0 107 -4,-3.6 3,-0.5 1,-0.2 4,-0.2 0.910 110.8 52.9 -60.3 -43.0 -9.4 14.0 7.0 113 118 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 -5,-0.3 4,-0.4 0.920 105.4 56.6 -59.5 -42.1 -7.0 11.2 7.8 114 119 A F H >< S+ 0 0 35 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.787 90.8 69.4 -60.8 -31.0 -5.3 11.7 4.4 115 120 A S T 3< S+ 0 0 101 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.562 96.1 57.3 -67.9 -3.9 -4.4 15.4 5.0 116 121 A L T < S+ 0 0 65 -3,-1.5 -1,-0.3 -4,-0.2 2,-0.2 0.640 79.0 105.9 -98.8 -18.8 -1.9 14.2 7.7 117 122 A F < - 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