==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 03-APR-07 2YRW . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.BABA,M.KANAGAWA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI,RI . 413 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 21.1 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 . 5 1.2 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 . 1 0.2 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 . 35 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 2 0 1 1 1 5 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 0 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 PARALLEL BRIDGES PER LADDER . 4 4 0 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 1 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 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 H 0 0 192 0, 0.0 2,-0.2 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -49.7 13.8 12.2 50.8 2 1 A M E -a 26 0A 27 23,-3.3 25,-3.4 62,-0.1 26,-1.7 -0.554 360.0-145.0 -86.7 145.6 12.9 14.6 48.0 3 2 A N E -a 28 0A 24 60,-0.4 62,-1.8 -2,-0.2 63,-1.3 -0.940 25.7-166.7-106.1 116.5 9.6 16.4 47.4 4 3 A V E -ab 29 66A 0 24,-2.8 26,-3.1 -2,-0.6 2,-0.4 -0.897 10.7-162.3-114.0 137.3 9.1 16.7 43.7 5 4 A L E -ab 30 67A 0 61,-2.7 63,-2.9 -2,-0.4 2,-0.5 -0.951 1.9-164.9-116.9 132.3 6.6 18.8 41.8 6 5 A V E -ab 31 68A 0 24,-2.8 26,-2.5 -2,-0.4 2,-0.5 -0.966 12.1-145.7-115.4 131.8 5.5 18.2 38.2 7 6 A I E +ab 32 69A 0 61,-3.0 63,-2.2 -2,-0.5 2,-0.3 -0.859 54.9 56.3-101.7 125.0 3.7 20.9 36.3 8 7 A G E -a 33 0A 0 24,-2.5 26,-2.8 -2,-0.5 -2,-0.1 -0.861 59.8-127.7 147.7 179.8 1.1 19.9 33.8 9 8 A R + 0 0 117 -2,-0.3 29,-0.1 24,-0.2 -1,-0.1 0.376 69.8 81.8-144.4 0.6 -2.1 17.9 33.2 10 9 A G S > S- 0 0 12 348,-0.1 4,-1.8 25,-0.0 347,-0.2 -0.194 91.3 -79.4-103.6-166.8 -1.6 15.5 30.2 11 10 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 123.9 57.6 -60.8 -41.3 -0.2 12.2 29.3 12 11 A R H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.920 109.1 46.4 -56.4 -44.0 3.4 13.4 29.2 13 12 A E H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.857 109.3 53.8 -68.6 -34.0 3.0 14.6 32.8 14 13 A H H X S+ 0 0 13 -4,-1.8 4,-3.0 342,-0.3 -1,-0.2 0.918 111.6 47.0 -64.0 -40.6 1.5 11.3 33.8 15 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.935 112.9 48.0 -65.7 -46.1 4.5 9.6 32.3 16 15 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.960 116.2 43.4 -58.0 -53.9 6.9 12.1 34.1 17 16 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.933 111.4 54.0 -56.9 -52.1 5.1 11.5 37.4 18 17 A W H < S+ 0 0 56 -4,-3.0 4,-0.4 -5,-0.2 -1,-0.2 0.904 113.8 42.6 -49.5 -48.9 4.9 7.8 36.9 19 18 A K H >< S+ 0 0 19 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.957 114.0 49.4 -65.0 -52.2 8.7 7.6 36.3 20 19 A A H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 6,-0.3 0.827 101.9 64.2 -57.4 -33.2 9.6 10.0 39.1 21 20 A A T 3< S+ 0 0 47 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.682 97.4 57.6 -65.9 -17.0 7.4 8.0 41.5 22 21 A Q T < S+ 0 0 114 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.416 81.7 111.9 -93.1 1.2 9.7 5.1 41.0 23 22 A S X - 0 0 6 -3,-1.9 3,-1.4 -4,-0.2 -3,-0.0 -0.603 64.2-145.9 -79.3 129.9 12.8 7.1 42.2 24 23 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.551 100.9 60.5 -69.8 -4.7 14.3 5.9 45.5 25 24 A L T 3 S+ 0 0 49 -5,-0.1 -23,-3.3 -24,-0.1 2,-0.6 0.602 83.4 94.7 -95.2 -15.5 15.1 9.6 46.0 26 25 A V E < +a 2 0A 25 -3,-1.4 -23,-0.2 -6,-0.3 3,-0.1 -0.693 40.8 172.4 -87.1 118.1 11.5 10.8 45.9 27 26 A G E S+ 0 0 52 -25,-3.4 2,-0.3 -2,-0.6 -24,-0.2 0.918 74.5 1.4 -83.5 -51.6 9.8 11.1 49.2 28 27 A K E -a 3 0A 96 -26,-1.7 -24,-2.8 2,-0.0 2,-0.4 -0.992 65.3-153.1-140.2 147.3 6.6 12.8 47.9 29 28 A L E -a 4 0A 14 -2,-0.3 14,-2.5 -26,-0.2 2,-0.3 -0.979 9.9-175.4-128.3 127.6 5.3 13.7 44.4 30 29 A Y E -ac 5 43A 10 -26,-3.1 -24,-2.8 -2,-0.4 2,-0.4 -0.899 7.2-163.3-119.3 148.6 2.9 16.4 43.4 31 30 A V E -ac 6 44A 0 12,-1.7 14,-2.4 -2,-0.3 -24,-0.2 -0.991 21.7-127.5-133.3 123.5 1.4 17.3 40.0 32 31 A A E S-a 7 0A 0 -26,-2.5 -24,-2.5 -2,-0.4 14,-0.1 -0.962 87.1 -20.2-121.2 118.9 -0.3 20.6 39.4 33 32 A P E S+a 8 0A 22 0, 0.0 -24,-0.2 0, 0.0 -1,-0.2 -0.976 94.4 157.9 -90.3 -14.6 -2.9 20.5 38.2 34 33 A G - 0 0 9 -26,-2.8 -2,-0.1 10,-0.1 -20,-0.0 -0.285 36.8-105.3 69.4-155.6 -2.6 16.9 36.9 35 34 A N > - 0 0 12 -25,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.968 32.5 -82.7-162.8 168.5 -5.6 14.8 36.2 36 35 A P T 4 S+ 0 0 38 0, 0.0 4,-0.3 0, 0.0 3,-0.1 0.844 125.5 49.5 -47.8 -44.1 -7.6 11.8 37.6 37 36 A G T >4 S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.924 108.3 53.4 -64.7 -42.6 -5.3 9.2 36.1 38 37 A I G >> S+ 0 0 0 -3,-0.3 3,-2.4 1,-0.3 4,-1.3 0.811 91.4 74.6 -62.2 -31.0 -2.2 11.0 37.5 39 38 A A G 3< S+ 0 0 47 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.663 83.6 69.8 -58.2 -15.4 -3.7 10.9 41.0 40 39 A D G <4 S+ 0 0 124 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.674 112.6 26.4 -76.0 -18.0 -2.8 7.2 41.1 41 40 A V T <4 S+ 0 0 43 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.498 129.8 20.1-121.4 -8.4 0.9 7.9 41.2 42 41 A A S < S- 0 0 12 -4,-1.3 2,-0.5 -14,-0.1 -1,-0.3 -0.985 80.3 -96.8-156.1 160.8 1.0 11.4 42.8 43 42 A E E -c 30 0A 118 -14,-2.5 -12,-1.7 -2,-0.3 2,-0.2 -0.709 44.1-126.8 -82.9 129.4 -0.9 13.8 44.9 44 43 A L E -c 31 0A 41 -2,-0.5 2,-0.5 -14,-0.2 -12,-0.2 -0.486 15.3-155.2 -77.9 147.1 -2.7 16.4 42.8 45 44 A V - 0 0 10 -14,-2.4 2,-2.4 -2,-0.2 -15,-0.0 -0.972 14.8-138.1-124.2 111.2 -2.3 20.1 43.5 46 45 A H + 0 0 166 -2,-0.5 2,-0.3 -14,-0.1 -14,-0.1 -0.419 60.7 117.8 -74.1 74.2 -5.1 22.2 42.3 47 46 A I - 0 0 27 -2,-2.4 -2,-0.1 8,-0.0 2,-0.1 -0.996 65.2-113.1-138.5 139.4 -3.1 25.1 40.8 48 47 A D > - 0 0 77 -2,-0.3 3,-1.1 1,-0.1 7,-0.2 -0.439 21.5-124.2 -73.6 146.8 -3.1 26.3 37.2 49 48 A E T 3 S+ 0 0 16 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.855 114.5 43.8 -57.2 -37.4 0.1 25.9 35.2 50 49 A L T 3 S+ 0 0 86 1,-0.2 2,-2.5 2,-0.1 3,-0.3 0.524 85.4 94.1 -87.1 -7.4 0.1 29.6 34.4 51 50 A D X> + 0 0 76 -3,-1.1 4,-2.1 1,-0.2 3,-0.6 -0.374 51.1 160.3 -80.9 59.1 -0.8 30.6 38.0 52 51 A I H 3> + 0 0 18 -2,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.815 63.5 60.5 -53.1 -37.4 3.0 31.0 38.6 53 52 A E H 3> S+ 0 0 105 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.921 110.1 41.4 -59.7 -43.6 2.5 33.2 41.6 54 53 A A H <> S+ 0 0 29 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.867 110.7 56.6 -72.4 -37.1 0.6 30.4 43.4 55 54 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.889 105.4 53.1 -61.9 -37.9 3.0 27.7 42.2 56 55 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.964 109.6 46.5 -60.5 -53.9 5.9 29.6 43.7 57 56 A Q H X S+ 0 0 94 -4,-1.6 4,-3.4 1,-0.2 5,-0.3 0.924 112.3 51.2 -55.1 -47.6 4.2 29.8 47.1 58 57 A F H X S+ 0 0 32 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.929 109.7 49.9 -55.8 -47.8 3.3 26.1 47.0 59 58 A A H <>S+ 0 0 1 -4,-2.6 5,-2.3 2,-0.2 -1,-0.2 0.913 114.4 44.8 -58.2 -44.6 6.9 25.2 46.2 60 59 A K H ><5S+ 0 0 100 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.952 118.2 42.0 -65.8 -50.1 8.2 27.3 49.1 61 60 A Q H 3<5S+ 0 0 150 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.811 116.5 48.1 -68.9 -30.7 5.6 26.0 51.6 62 61 A Q T 3<5S- 0 0 65 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.195 106.6-123.5 -96.9 18.4 5.8 22.4 50.4 63 62 A A T < 5 - 0 0 57 -3,-1.1 2,-0.6 1,-0.2 -60,-0.4 0.873 36.8-169.5 41.9 52.3 9.6 22.3 50.5 64 63 A I < - 0 0 9 -5,-2.3 25,-0.3 -6,-0.2 -1,-0.2 -0.615 14.8-173.5 -75.9 115.4 9.8 21.2 46.9 65 64 A D S S+ 0 0 68 -62,-1.8 2,-0.3 -2,-0.6 -61,-0.2 0.666 72.4 22.3 -82.1 -19.5 13.4 20.2 46.1 66 65 A L E -b 4 0A 0 -63,-1.3 -61,-2.7 22,-0.0 2,-0.4 -0.926 61.2-167.3-154.1 126.3 12.8 19.8 42.3 67 66 A T E -bd 5 90A 1 22,-1.5 24,-3.5 -2,-0.3 2,-0.5 -0.940 7.1-164.7-114.2 132.8 10.1 21.1 40.0 68 67 A I E -bd 6 91A 3 -63,-2.9 -61,-3.0 -2,-0.4 2,-0.5 -0.975 11.3-145.7-120.8 121.6 9.7 19.7 36.5 69 68 A V E -b 7 0A 7 22,-1.4 215,-0.3 -2,-0.5 -61,-0.1 -0.743 16.5-179.6 -91.7 127.7 7.8 21.6 33.9 70 69 A G + 0 0 0 -63,-2.2 -62,-0.2 -2,-0.5 -1,-0.2 0.957 58.5 50.8 -88.1 -60.2 5.7 19.7 31.4 71 70 A P S > S- 0 0 22 0, 0.0 4,-0.7 0, 0.0 213,-0.0 -0.401 73.2-126.4 -83.7 158.2 3.9 22.2 29.0 72 71 A E H >> S+ 0 0 59 1,-0.2 4,-2.7 2,-0.1 3,-0.5 0.875 95.6 76.1 -67.6 -40.0 5.4 25.1 27.0 73 72 A A H 3> S+ 0 0 45 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.874 96.3 42.8 -40.6 -61.9 2.9 27.7 28.4 74 73 A P H 34>S+ 0 0 0 0, 0.0 5,-2.5 0, 0.0 -1,-0.3 0.868 114.8 52.4 -58.6 -33.7 4.4 28.2 31.9 75 74 A L H X<5S+ 0 0 1 -4,-0.7 3,-2.2 -3,-0.5 -2,-0.2 0.951 107.8 49.6 -65.8 -49.2 7.9 28.3 30.4 76 75 A A H 3<5S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.2 0.784 109.2 55.1 -59.7 -27.2 7.0 31.0 27.9 77 76 A S T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.421 121.9-108.7 -86.7 0.3 5.5 32.9 30.8 78 77 A G T <>5 + 0 0 4 -3,-2.2 4,-2.4 -5,-0.1 -3,-0.2 0.777 63.8 151.8 81.1 29.2 8.8 32.7 32.7 79 78 A I H > S+ 0 0 2 13,-0.4 4,-3.0 2,-0.2 5,-0.3 0.957 107.6 49.8 -56.4 -53.0 11.7 29.2 35.5 81 80 A D H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 112.9 47.2 -51.9 -50.3 12.9 32.8 35.9 82 81 A R H X S+ 0 0 76 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.926 113.0 48.4 -58.6 -47.7 10.4 33.3 38.8 83 82 A F H <>S+ 0 0 0 -4,-3.0 5,-3.1 1,-0.2 3,-0.3 0.927 112.6 47.2 -60.3 -46.1 11.4 30.1 40.5 84 83 A M H ><5S+ 0 0 102 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.860 108.4 54.9 -65.0 -35.4 15.1 30.8 40.2 85 84 A A H 3<5S+ 0 0 77 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.813 109.8 48.9 -66.4 -27.4 14.6 34.3 41.5 86 85 A E T 3<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.261 120.6-113.4 -92.7 9.3 12.9 32.6 44.5 87 86 A G T < 5 + 0 0 66 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.791 67.2 146.8 63.8 29.9 15.8 30.2 44.8 88 87 A L < - 0 0 24 -5,-3.1 2,-0.5 -8,-0.2 -1,-0.2 -0.860 52.0-120.8-103.4 131.1 13.7 27.2 43.9 89 88 A R + 0 0 104 -2,-0.5 -22,-1.5 -25,-0.3 2,-0.4 -0.538 42.0 169.4 -69.9 119.0 15.3 24.3 41.9 90 89 A I E -d 67 0A 4 -2,-0.5 2,-0.9 -24,-0.2 -22,-0.2 -0.996 31.4-142.6-138.7 133.1 13.4 23.9 38.6 91 90 A F E +d 68 0A 5 -24,-3.5 -22,-1.4 -2,-0.4 172,-0.1 -0.826 65.6 75.3 -95.9 104.6 14.2 21.8 35.6 92 91 A G S S- 0 0 5 -2,-0.9 170,-0.2 -24,-0.1 2,-0.1 -0.879 80.1 -71.6 167.7 164.5 13.2 23.8 32.5 93 92 A P - 0 0 1 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.419 42.0-112.9 -80.7 151.7 14.3 26.7 30.3 94 93 A S > - 0 0 19 165,-0.4 4,-2.9 -14,-0.2 5,-0.2 -0.293 40.1-100.3 -70.8 164.8 14.3 30.4 31.2 95 94 A Q H > S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.923 125.4 51.9 -54.0 -46.6 11.8 32.5 29.2 96 95 A R H >4 S+ 0 0 120 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.906 113.9 42.3 -56.7 -46.5 14.7 33.7 27.0 97 96 A A H >4 S+ 0 0 0 162,-0.2 3,-1.8 1,-0.2 -1,-0.2 0.832 105.6 63.4 -70.4 -34.2 15.8 30.2 26.3 98 97 A A H >X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.3 3,-2.2 0.664 80.8 83.1 -65.5 -15.9 12.2 28.9 25.8 99 98 A L H S+ 0 0 50 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.877 94.1 59.6 -60.7 -34.3 9.9 29.7 14.9 105 104 A A H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 106.7 46.3 -59.4 -43.2 11.2 33.0 13.4 106 105 A F H > S+ 0 0 15 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.926 110.2 53.1 -64.1 -44.2 13.7 33.1 16.2 107 106 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 -8,-0.3 -2,-0.2 0.908 111.5 45.5 -57.8 -45.0 14.6 29.5 15.8 108 107 A K H X S+ 0 0 18 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.928 111.8 53.4 -64.2 -43.6 15.3 30.0 12.1 109 108 A E H X S+ 0 0 124 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.943 112.6 43.5 -54.5 -51.7 17.2 33.1 12.9 110 109 A L H X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.953 114.1 48.7 -60.8 -52.9 19.4 31.2 15.4 111 110 A M H <>S+ 0 0 2 -4,-2.7 5,-3.1 1,-0.2 -1,-0.2 0.851 113.0 48.0 -59.0 -35.7 20.0 28.2 13.1 112 111 A K H ><5S+ 0 0 183 -4,-2.6 3,-1.1 3,-0.2 -1,-0.2 0.937 112.2 48.5 -70.8 -45.7 20.9 30.4 10.1 113 112 A K H 3<5S+ 0 0 133 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.886 121.3 37.0 -60.9 -38.6 23.3 32.5 12.2 114 113 A Y T 3<5S- 0 0 77 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.227 110.6-117.1-100.6 14.6 24.9 29.4 13.6 115 114 A G T < 5 + 0 0 63 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.860 53.2 162.1 55.0 42.2 24.7 27.2 10.5 116 115 A I < - 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