==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-MAY-07 2Z01 . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR M.KANAGAWA,S.BABA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI, . 313 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 16.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 0 0 1 1 1 3 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 17 A Q > 0 0 213 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -48.9 16.4 18.9 -12.1 2 18 A A H > + 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.919 360.0 48.2 -51.6 -47.3 14.9 15.4 -11.8 3 19 A V H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 111.3 50.3 -60.4 -43.0 12.3 16.4 -14.4 4 20 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.922 111.2 48.0 -62.2 -43.7 15.1 17.7 -16.6 5 21 A L H X S+ 0 0 79 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.857 109.4 55.2 -65.1 -33.6 17.1 14.4 -16.2 6 22 A M H X S+ 0 0 55 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.906 106.7 48.8 -66.5 -42.5 13.8 12.6 -17.0 7 23 A K H X S+ 0 0 132 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.881 108.4 54.7 -65.1 -37.9 13.4 14.4 -20.3 8 24 A E H X S+ 0 0 106 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.898 107.5 50.3 -62.3 -40.3 17.0 13.7 -21.2 9 25 A H H X S+ 0 0 5 -4,-1.8 4,-0.6 1,-0.2 3,-0.3 0.919 112.1 46.6 -64.0 -44.8 16.4 9.9 -20.6 10 26 A V H >X S+ 0 0 40 -4,-2.0 3,-1.5 1,-0.2 4,-0.7 0.916 105.8 59.4 -63.0 -45.1 13.3 9.9 -22.8 11 27 A Q H >< S+ 0 0 131 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.793 96.5 62.2 -56.3 -31.3 15.0 11.9 -25.6 12 28 A K H 3< S+ 0 0 118 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.794 101.1 53.2 -65.8 -27.7 17.6 9.2 -26.0 13 29 A T H << S+ 0 0 8 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.660 83.1 120.3 -81.8 -19.0 14.9 6.7 -27.0 14 30 A M << - 0 0 58 -4,-0.7 -3,-0.0 -3,-0.6 101,-0.0 -0.070 41.1-169.4 -51.8 143.1 13.5 8.8 -29.8 15 31 A R > - 0 0 44 65,-0.1 3,-2.3 1,-0.0 -2,-0.0 -0.938 37.1-102.5-130.8 154.9 13.4 7.5 -33.3 16 32 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 10,-0.0 0.697 114.2 64.8 -48.5 -28.5 12.6 9.4 -36.6 17 33 A E T 3 S+ 0 0 22 8,-0.1 9,-2.9 2,-0.1 2,-0.5 0.604 78.2 101.9 -75.9 -10.5 9.0 8.0 -36.9 18 34 A V E < -A 25 0A 28 -3,-2.3 2,-0.5 7,-0.2 7,-0.2 -0.631 58.1-162.3 -78.4 124.8 8.0 9.8 -33.7 19 35 A L E A 24 0A 79 5,-2.4 5,-2.4 -2,-0.5 -2,-0.1 -0.936 360.0 360.0-110.7 126.3 6.0 12.9 -34.4 20 36 A G 0 0 105 -2,-0.5 3,-0.1 3,-0.2 -1,-0.0 -0.155 360.0 360.0 -63.9 360.0 5.5 15.5 -31.7 21 ! 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 22 42 A G 0 0 111 0, 0.0 2,-0.4 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 150.8 1.6 13.1 -26.6 23 43 A G - 0 0 26 92,-1.2 2,-0.3 -3,-0.1 -3,-0.2 -0.674 360.0-157.1 -88.9 136.7 3.9 11.3 -29.1 24 44 A L E -A 19 0A 105 -5,-2.4 -5,-2.4 -2,-0.4 2,-0.6 -0.773 11.1-136.5-105.3 152.4 2.5 9.7 -32.2 25 45 A F E -A 18 0A 32 -2,-0.3 2,-1.6 -7,-0.2 -7,-0.2 -0.940 7.5-146.8-115.3 115.9 4.2 6.9 -34.1 26 46 A D > + 0 0 51 -9,-2.9 3,-1.2 -2,-0.6 4,-0.3 -0.598 23.0 173.0 -81.6 86.6 4.3 7.2 -37.9 27 47 A L G > S+ 0 0 47 -2,-1.6 3,-2.1 1,-0.2 4,-0.5 0.845 70.6 70.8 -62.3 -34.8 4.1 3.6 -38.9 28 48 A S G > S+ 0 0 97 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.748 86.0 68.1 -56.0 -24.5 3.7 4.5 -42.6 29 49 A A G < S+ 0 0 62 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.766 93.3 58.9 -67.2 -24.7 7.4 5.6 -42.6 30 50 A L G < S- 0 0 49 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.655 100.4-133.6 -80.3 -18.3 8.5 2.0 -42.1 31 51 A G < + 0 0 38 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.1 0.864 37.4 168.9 69.8 37.9 6.8 0.7 -45.3 32 52 A Y - 0 0 57 -5,-0.4 -1,-0.2 1,-0.2 -2,-0.1 -0.667 21.9-158.6 -81.0 138.4 5.1 -2.5 -44.0 33 53 A R S S+ 0 0 205 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.924 86.6 15.6 -83.5 -49.8 2.7 -3.8 -46.6 34 54 A Q S S- 0 0 93 2,-0.0 102,-2.7 0, 0.0 -1,-0.2 -0.693 87.3-163.8-125.1 75.6 0.4 -5.9 -44.4 35 55 A P E -B 135 0B 62 0, 0.0 2,-0.4 0, 0.0 100,-0.2 -0.374 8.7-170.6 -66.6 134.6 1.2 -4.7 -40.9 36 56 A V E -B 134 0B 43 98,-1.9 98,-1.8 -2,-0.1 2,-0.4 -0.996 17.1-138.3-124.8 126.9 0.1 -6.7 -37.9 37 57 A L E -B 133 0B 113 -2,-0.4 2,-0.5 96,-0.2 96,-0.2 -0.731 15.3-169.0 -92.1 132.3 0.4 -5.1 -34.4 38 58 A I E +B 132 0B 17 94,-2.5 94,-3.2 -2,-0.4 2,-0.3 -0.981 13.5 175.9-120.0 126.7 1.7 -7.2 -31.5 39 59 A S E +B 131 0B 92 -2,-0.5 2,-0.3 92,-0.2 92,-0.2 -0.833 7.6 174.1-128.6 166.1 1.4 -5.7 -28.0 40 60 A G E -B 130 0B 26 90,-1.8 90,-2.5 -2,-0.3 2,-0.3 -0.969 14.4-152.3-168.4 152.5 2.0 -6.7 -24.5 41 61 A T E +B 129 0B 79 -2,-0.3 2,-0.3 88,-0.2 88,-0.2 -0.936 19.9 166.2-129.5 154.1 2.0 -5.5 -20.9 42 62 A D E -B 128 0B 53 86,-1.8 86,-2.8 -2,-0.3 2,-0.3 -0.986 24.4-143.7-164.7 155.5 4.1 -6.5 -17.9 43 63 A G E -B 127 0B 30 -2,-0.3 84,-0.2 84,-0.2 -2,-0.0 -0.891 30.5-118.9-120.1 152.5 5.1 -5.6 -14.4 44 64 A V - 0 0 3 82,-0.7 3,-0.4 -2,-0.3 2,-0.2 0.918 48.9-156.6 -56.7 -45.6 8.5 -6.3 -12.8 45 65 A G > - 0 0 43 81,-0.2 3,-2.0 1,-0.2 4,-0.2 -0.644 51.5 -21.6 101.0-160.6 7.0 -8.5 -10.1 46 66 A T T >> S+ 0 0 49 1,-0.3 3,-1.7 -2,-0.2 4,-0.5 0.666 119.6 80.9 -61.6 -17.1 8.5 -9.4 -6.7 47 67 A K H >> S+ 0 0 1 -3,-0.4 3,-1.0 1,-0.3 4,-1.0 0.794 80.5 70.6 -58.6 -25.0 12.0 -8.5 -8.0 48 68 A L H <> S+ 0 0 10 -3,-2.0 4,-2.0 1,-0.3 3,-0.4 0.849 83.7 67.8 -59.7 -35.6 10.8 -5.0 -7.3 49 69 A K H <> S+ 0 0 92 -3,-1.7 4,-2.2 1,-0.3 -1,-0.3 0.836 98.2 51.5 -54.7 -35.7 11.0 -5.8 -3.6 50 70 A L H S+ 0 0 0 -4,-1.0 5,-1.6 -3,-0.4 4,-0.8 0.918 108.9 47.6 -60.5 -42.2 14.8 -2.6 -5.6 52 72 A F H ><5S+ 0 0 59 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.964 111.5 48.6 -61.6 -55.5 13.1 -1.2 -2.5 53 73 A L H 3<5S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 118.3 39.8 -55.8 -35.4 15.5 -2.8 -0.0 54 74 A L H 3<5S- 0 0 20 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.501 100.2-132.1 -94.6 -5.5 18.6 -1.7 -1.9 55 75 A D T <<5 + 0 0 118 -3,-1.0 2,-0.5 -4,-0.8 -3,-0.2 0.900 65.0 131.8 53.7 41.7 17.2 1.8 -2.7 56 76 A R < + 0 0 112 -5,-1.6 4,-0.2 -6,-0.2 -1,-0.2 -0.962 19.0 156.6-126.4 110.7 18.4 1.2 -6.3 57 77 A H + 0 0 13 -2,-0.5 4,-0.3 1,-0.1 45,-0.3 0.352 47.4 89.5-120.5 8.0 15.8 2.0 -8.9 58 78 A D S S+ 0 0 59 1,-0.1 -1,-0.1 2,-0.1 41,-0.1 0.340 92.8 42.3 -88.9 7.5 17.6 2.7 -12.2 59 79 A T S >> S+ 0 0 28 -3,-0.2 3,-1.9 2,-0.1 4,-1.0 0.680 90.5 74.0-121.6 -30.8 17.7 -0.9 -13.4 60 80 A I H 3> S+ 0 0 0 1,-0.3 4,-1.9 -4,-0.2 -2,-0.1 0.749 89.0 68.5 -59.0 -19.6 14.2 -2.5 -12.8 61 81 A G H 3> S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.836 95.4 54.6 -66.3 -31.2 12.9 -0.4 -15.6 62 82 A I H <> S+ 0 0 15 -3,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.917 105.3 51.7 -66.6 -44.3 15.1 -2.6 -17.9 63 83 A D H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.900 109.6 51.3 -57.8 -42.6 13.4 -5.7 -16.6 64 84 A C H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.944 113.6 42.6 -60.5 -50.3 10.1 -4.2 -17.3 65 85 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.906 113.0 53.8 -63.5 -42.9 11.0 -3.3 -20.9 66 86 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 5,-0.4 0.915 105.0 53.3 -59.7 -45.2 12.6 -6.7 -21.5 67 87 A M H X S+ 0 0 4 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.924 116.0 39.2 -57.9 -45.1 9.6 -8.6 -20.4 68 88 A C H X S+ 0 0 3 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.940 120.3 44.0 -70.1 -48.8 7.3 -6.8 -22.8 69 89 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 3,-0.4 0.902 108.9 53.7 -66.0 -45.2 9.8 -6.6 -25.7 70 90 A N H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.3 -1,-0.2 0.845 108.0 52.5 -61.1 -32.7 11.2 -10.2 -25.6 71 91 A D H < S+ 0 0 70 -4,-0.9 4,-0.3 -5,-0.4 -1,-0.2 0.835 110.0 50.1 -71.2 -30.3 7.6 -11.5 -25.8 72 92 A I H ><>S+ 0 0 2 -4,-1.1 5,-1.3 -3,-0.4 3,-1.3 0.916 107.4 50.5 -73.0 -46.7 7.0 -9.4 -28.9 73 93 A I H ><5S+ 0 0 7 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.736 94.4 71.3 -68.3 -22.2 10.0 -10.4 -30.9 74 94 A V T 3<5S+ 0 0 21 -4,-1.0 143,-0.4 1,-0.3 -1,-0.3 0.741 98.6 52.2 -66.4 -17.8 9.4 -14.1 -30.4 75 95 A Q T < 5S- 0 0 92 -3,-1.3 65,-2.1 -4,-0.3 -1,-0.3 0.367 127.8-102.2 -96.3 3.8 6.5 -13.6 -32.8 76 96 A G T < 5S+ 0 0 7 -3,-2.0 59,-0.3 1,-0.3 -3,-0.2 0.555 75.9 139.3 89.1 10.2 8.8 -11.9 -35.3 77 97 A A < - 0 0 5 -5,-1.3 -1,-0.3 57,-0.1 57,-0.2 -0.530 49.3-132.8 -89.2 153.8 7.8 -8.4 -34.5 78 98 A E E -C 133 0B 25 55,-2.7 55,-1.9 -2,-0.2 2,-0.2 -0.891 30.3-114.6-102.9 131.8 10.0 -5.3 -34.3 79 99 A P E +C 132 0B 10 0, 0.0 53,-0.3 0, 0.0 3,-0.1 -0.499 37.0 173.4 -68.7 133.4 9.5 -3.2 -31.2 80 100 A L E - 0 0 2 51,-2.8 33,-2.1 1,-0.4 2,-0.3 0.823 55.4 -8.9-105.9 -50.9 8.2 0.3 -32.1 81 101 A F E -Cd 131 113B 42 50,-1.5 50,-2.1 31,-0.3 -1,-0.4 -0.979 51.1-153.0-151.3 163.4 7.3 2.2 -28.9 82 102 A F E -Cd 130 114B 0 31,-2.9 33,-1.0 -2,-0.3 34,-0.9 -0.928 3.2-166.2-135.9 156.7 6.8 1.8 -25.1 83 103 A L E -Cd 129 116B 65 46,-1.7 46,-2.0 -2,-0.3 2,-0.3 -0.991 11.1-154.0-144.0 138.4 4.8 3.5 -22.4 84 104 A D E -C 128 0B 12 32,-1.5 34,-0.5 -2,-0.3 2,-0.4 -0.841 6.9-158.6-118.1 156.3 5.2 3.2 -18.6 85 105 A Y E -C 127 0B 103 42,-2.5 42,-1.8 -2,-0.3 2,-0.5 -0.969 9.1-170.1-133.5 115.3 2.9 3.6 -15.6 86 106 A I E -Ce 126 119B 0 32,-3.1 34,-2.8 -2,-0.4 2,-0.4 -0.933 3.0-169.2-110.1 120.8 4.4 4.4 -12.2 87 107 A A E +Ce 125 120B 29 38,-2.5 38,-2.1 -2,-0.5 2,-0.3 -0.892 20.0 147.2-108.7 139.1 2.1 4.2 -9.2 88 108 A C E -C 124 0B 23 32,-2.2 3,-0.2 -2,-0.4 36,-0.2 -0.984 54.3-110.9-161.9 166.1 3.3 5.5 -5.8 89 109 A G S S- 0 0 65 34,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.999 103.5 -3.5 -64.9 -71.0 2.1 7.1 -2.5 90 110 A K S S- 0 0 167 31,-0.1 2,-0.7 -3,-0.1 -1,-0.3 -0.955 80.4-118.7-123.7 144.9 3.9 10.4 -3.1 91 111 A A - 0 0 29 -2,-0.4 3,-0.1 -3,-0.2 30,-0.1 -0.754 19.5-164.5 -92.1 113.3 6.2 11.2 -6.0 92 112 A V >> - 0 0 62 -2,-0.7 4,-2.4 1,-0.2 3,-0.9 -0.859 17.7-142.1 -94.7 110.8 9.8 12.0 -5.2 93 113 A P H 3> S+ 0 0 80 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.834 98.2 46.7 -37.0 -57.1 11.2 13.7 -8.4 94 114 A E H 3> S+ 0 0 149 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.842 113.0 50.8 -60.8 -35.3 14.7 12.1 -8.2 95 115 A K H <> S+ 0 0 54 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.932 111.8 45.6 -67.7 -48.1 13.2 8.6 -7.5 96 116 A I H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.887 109.8 57.0 -62.3 -38.6 10.8 8.8 -10.5 97 117 A A H X S+ 0 0 3 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.856 107.3 47.5 -61.0 -38.0 13.7 10.1 -12.6 98 118 A A H X S+ 0 0 27 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.868 110.2 51.4 -72.4 -38.5 15.8 7.0 -11.7 99 119 A I H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.920 112.8 46.2 -64.5 -43.1 12.9 4.6 -12.5 100 120 A V H X S+ 0 0 6 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.883 103.7 62.9 -67.1 -39.3 12.4 6.2 -15.9 101 121 A K H X S+ 0 0 65 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.898 103.9 48.1 -52.4 -44.9 16.1 6.1 -16.6 102 122 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 -45,-0.3 -1,-0.2 0.866 111.3 50.5 -64.7 -37.2 16.1 2.3 -16.5 103 123 A V H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.926 111.6 47.8 -65.0 -46.3 13.0 2.2 -18.8 104 124 A A H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.928 109.9 52.3 -61.2 -46.7 14.7 4.5 -21.2 105 125 A D H X S+ 0 0 46 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.928 111.3 47.4 -56.5 -44.7 17.9 2.5 -21.2 106 126 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.915 111.0 51.4 -62.4 -42.6 15.9 -0.6 -21.9 107 127 A C H X>S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 5,-1.5 0.883 108.4 51.8 -61.4 -39.7 14.0 1.2 -24.7 108 128 A V H <5S+ 0 0 62 -4,-2.9 3,-0.4 2,-0.2 -2,-0.2 0.954 111.1 47.5 -61.5 -48.5 17.3 2.2 -26.2 109 129 A E H <5S+ 0 0 83 -4,-2.5 94,-0.5 1,-0.2 -2,-0.2 0.879 115.7 45.1 -59.7 -38.2 18.5 -1.4 -26.1 110 130 A A H <5S- 0 0 6 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.676 107.4-124.5 -80.8 -19.0 15.2 -2.6 -27.7 111 131 A G T <5 + 0 0 26 -4,-1.7 2,-0.3 -3,-0.4 -3,-0.2 0.631 69.1 124.6 84.5 13.8 15.2 0.2 -30.3 112 132 A C < - 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