==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-NOV-09 3KUU . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTI . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,J.S.BRUNZELLE,O.ONOPRIYENKO,K.KWON,A. . 663 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 39 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 0 0 0 1 7 0 1 3 0 4 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 11 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 1 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 6 A N 0 0 157 0, 0.0 3,-0.2 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0-176.1 18.9 37.2 44.2 2 7 A S + 0 0 82 1,-0.1 60,-0.0 3,-0.1 59,-0.0 -0.002 360.0 119.5-119.8 28.4 17.8 40.7 45.2 3 8 A A S S+ 0 0 76 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.788 80.9 32.9 -61.3 -35.8 18.8 43.0 42.2 4 9 A Y S S- 0 0 79 -3,-0.2 2,-1.2 476,-0.0 -1,-0.1 -0.953 75.2-136.8-124.6 136.8 15.2 44.1 41.5 5 10 A A + 0 0 72 -2,-0.4 472,-0.6 468,-0.2 473,-0.2 -0.779 47.3 153.5 -89.1 83.3 12.6 44.6 44.1 6 11 A A - 0 0 16 -2,-1.2 -1,-0.1 471,-0.2 3,-0.1 0.214 63.3-102.2-107.6 9.5 10.0 42.8 41.9 7 12 A G + 0 0 12 1,-0.2 2,-1.0 -3,-0.1 3,-0.1 0.704 62.6 155.9 80.3 17.8 7.6 41.5 44.5 8 13 A V + 0 0 52 1,-0.2 -1,-0.2 53,-0.1 29,-0.2 -0.693 3.0 153.7 -82.6 103.5 8.8 37.8 44.4 9 14 A K + 0 0 51 -2,-1.0 55,-3.2 27,-0.7 56,-1.9 0.432 53.0 63.0-109.6 -4.1 7.6 36.6 47.9 10 15 A I E -ab 37 65A 0 26,-0.6 28,-2.0 53,-0.2 2,-0.4 -0.982 57.1-167.1-124.7 138.1 7.3 32.9 47.1 11 16 A A E -ab 38 66A 0 54,-1.7 56,-3.1 -2,-0.4 2,-0.6 -0.982 8.5-156.4-117.0 136.9 9.8 30.3 46.1 12 17 A I E +ab 39 67A 0 26,-3.1 28,-2.1 -2,-0.4 2,-0.3 -0.957 26.7 172.5-105.5 112.1 8.8 26.8 44.7 13 18 A V E -ab 40 68A 0 54,-3.0 56,-2.6 -2,-0.6 2,-0.3 -0.850 9.6-176.3-120.4 158.7 11.8 24.5 45.4 14 19 A X E -ab 41 69A 2 26,-1.4 28,-2.4 -2,-0.3 56,-0.2 -0.996 33.3-122.6-154.2 157.5 12.2 20.8 45.0 15 20 A G S S+ 0 0 1 54,-1.8 2,-0.3 -2,-0.3 31,-0.2 0.709 92.3 21.3 -76.4 -22.4 14.7 18.0 45.6 16 21 A S S > S- 0 0 34 53,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.995 71.2-121.0-146.5 147.2 15.0 16.7 42.0 17 22 A K G > S+ 0 0 177 -2,-0.3 3,-2.2 1,-0.3 4,-0.3 0.868 112.9 64.4 -53.1 -35.0 14.2 17.9 38.4 18 23 A S G > S+ 0 0 97 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.752 88.6 69.4 -65.9 -19.9 11.8 15.0 38.1 19 24 A D G X> S+ 0 0 11 -3,-1.6 4,-2.6 1,-0.2 3,-1.1 0.671 76.7 83.2 -68.2 -14.5 9.7 16.6 40.8 20 25 A W H <> S+ 0 0 94 -3,-2.2 4,-2.6 -4,-0.3 -1,-0.2 0.828 76.9 67.3 -64.7 -25.8 8.8 19.4 38.4 21 26 A A H <4 S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.3 4,-0.2 0.877 114.5 31.5 -58.4 -35.4 6.0 17.2 36.9 22 27 A T H X4 S+ 0 0 25 -3,-1.1 3,-1.6 -4,-0.3 4,-0.3 0.900 119.3 51.3 -84.1 -49.2 4.3 17.6 40.3 23 28 A X H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 3,-1.4 0.723 91.2 75.4 -71.8 -19.9 5.5 21.1 41.4 24 29 A Q H 3X S+ 0 0 70 -4,-2.6 4,-2.6 1,-0.3 -1,-0.3 0.796 86.7 65.8 -58.4 -24.1 4.4 22.7 38.1 25 30 A F H <> S+ 0 0 60 -3,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.815 101.1 47.8 -71.6 -25.6 0.9 22.5 39.5 26 31 A A H <> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.918 111.4 51.1 -73.5 -43.5 1.9 25.0 42.3 27 32 A A H X S+ 0 0 4 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.917 106.4 55.0 -59.6 -39.6 3.4 27.3 39.6 28 33 A D H X S+ 0 0 90 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.880 106.4 49.4 -65.0 -38.1 0.3 27.2 37.6 29 34 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.926 111.4 49.0 -64.6 -43.5 -2.0 28.3 40.4 30 35 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.4 0.918 109.3 53.1 -66.9 -35.6 0.4 31.2 41.2 31 36 A T H ><5S+ 0 0 56 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.948 109.4 49.2 -58.6 -47.7 0.4 32.2 37.5 32 37 A T H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.891 112.9 47.0 -59.9 -40.4 -3.4 32.3 37.5 33 38 A L T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.404 111.5-119.8 -82.9 3.3 -3.4 34.4 40.6 34 39 A N T < 5 + 0 0 25 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.893 61.2 150.1 59.2 39.1 -0.8 36.9 39.3 35 40 A V < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.923 45.2-128.3-104.4 117.1 1.6 36.1 42.2 36 41 A P + 0 0 19 0, 0.0 -27,-0.7 0, 0.0 -26,-0.6 -0.343 36.4 172.1 -63.4 144.6 5.3 36.4 41.4 37 42 A F E -a 10 0A 57 -29,-0.2 2,-0.3 -28,-0.1 -26,-0.2 -0.985 29.0-136.5-151.1 160.8 7.4 33.4 42.2 38 43 A H E -a 11 0A 78 -28,-2.0 -26,-3.1 -2,-0.3 2,-0.4 -0.881 17.5-155.9-111.9 144.8 10.9 31.8 41.9 39 44 A V E +a 12 0A 56 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.985 21.4 158.8-121.3 140.0 11.5 28.1 41.0 40 45 A E E -a 13 0A 50 -28,-2.1 -26,-1.4 -2,-0.4 2,-0.6 -0.991 38.1-127.7-158.5 146.2 14.7 26.2 41.9 41 46 A V E +a 14 0A 68 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.851 34.4 167.0 -92.0 123.3 16.0 22.7 42.3 42 47 A V - 0 0 0 -28,-2.4 2,-0.5 -2,-0.6 -26,-0.1 -0.976 19.3-155.4-137.7 117.3 17.8 22.3 45.7 43 48 A S > - 0 0 12 -2,-0.4 4,-1.7 1,-0.1 8,-0.3 -0.877 12.3-151.8 -99.4 129.7 18.5 18.8 46.9 44 49 A A T 4 S+ 0 0 11 -2,-0.5 -1,-0.1 1,-0.2 8,-0.1 0.823 100.0 30.9 -60.1 -33.0 19.0 18.1 50.7 45 50 A H T 4 S+ 0 0 111 2,-0.1 -1,-0.2 -30,-0.1 -2,-0.0 0.807 126.9 36.8-103.4 -31.0 21.3 15.2 49.9 46 51 A R T 4 S+ 0 0 171 1,-0.2 -2,-0.2 -31,-0.2 3,-0.1 0.722 132.5 25.1 -92.5 -25.5 23.1 16.1 46.7 47 52 A T X + 0 0 56 -4,-1.7 4,-2.1 1,-0.1 -1,-0.2 -0.367 69.9 150.7-133.0 58.6 23.4 19.9 47.4 48 53 A P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.849 75.6 52.3 -60.2 -39.8 23.3 20.2 51.2 49 54 A D H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 109.0 49.9 -65.6 -38.8 25.5 23.3 51.3 50 55 A R H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.872 105.3 57.6 -66.6 -33.5 23.2 25.0 48.8 51 56 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 -8,-0.3 5,-0.2 0.957 109.2 45.6 -58.4 -46.1 20.2 24.1 50.9 52 57 A F H X S+ 0 0 81 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.926 113.8 48.1 -64.1 -42.9 21.8 26.0 53.8 53 58 A S H X S+ 0 0 51 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.910 111.6 50.3 -64.5 -40.0 22.7 29.0 51.7 54 59 A F H X S+ 0 0 11 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.949 114.7 43.2 -62.9 -48.4 19.3 29.2 50.2 55 60 A A H >< S+ 0 0 1 -4,-2.4 3,-1.1 -5,-0.2 4,-0.5 0.925 111.5 54.0 -64.5 -44.4 17.6 29.1 53.6 56 61 A E H 3< S+ 0 0 93 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.834 116.7 38.1 -59.0 -35.2 20.1 31.6 55.2 57 62 A Q H 3X S+ 0 0 99 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.3 0.386 85.9 101.3 -99.6 4.5 19.4 34.1 52.5 58 63 A A T <<>S+ 0 0 0 -3,-1.1 5,-2.4 -4,-0.6 4,-0.2 0.911 86.2 44.6 -56.5 -48.4 15.6 33.6 52.1 59 64 A E T >45S+ 0 0 116 -4,-0.5 3,-2.1 1,-0.2 -1,-0.2 0.942 112.9 50.6 -62.6 -46.5 14.7 36.6 54.1 60 65 A A T 345S+ 0 0 67 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.9 55.9 -60.4 -28.9 17.3 38.9 52.4 61 66 A N T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.447 122.1-108.8 -83.7 0.3 15.9 37.7 49.1 62 67 A G T < 5 + 0 0 33 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.565 61.7 157.3 90.2 11.6 12.4 38.9 50.1 63 68 A L < + 0 0 14 -5,-2.4 -1,-0.2 1,-0.1 -53,-0.2 -0.477 21.6 173.8 -77.5 142.1 10.7 35.5 50.6 64 69 A H S S+ 0 0 35 -55,-3.2 2,-0.3 1,-0.4 -54,-0.2 0.621 73.3 21.1-111.1 -26.1 7.6 35.2 52.7 65 70 A V E -b 10 0A 0 -56,-1.9 -54,-1.7 21,-0.1 2,-0.5 -0.986 61.3-157.5-143.6 137.1 6.7 31.6 52.0 66 71 A I E -bc 11 88A 0 21,-2.7 23,-2.9 -2,-0.3 2,-0.6 -0.967 5.8-160.2-110.2 128.1 8.8 28.6 50.6 67 72 A I E -bc 12 89A 0 -56,-3.1 -54,-3.0 -2,-0.5 2,-0.5 -0.944 17.3-173.1-102.8 121.4 6.9 25.7 49.0 68 73 A A E -bc 13 90A 0 21,-3.2 23,-2.5 -2,-0.6 2,-0.4 -0.960 8.9-166.3-125.8 123.1 9.2 22.7 49.0 69 74 A G E +bc 14 91A 0 -56,-2.6 -54,-1.8 -2,-0.5 2,-0.3 -0.855 20.3 147.2-105.9 140.1 8.5 19.4 47.3 70 75 A N E - c 0 92A 14 21,-1.9 23,-2.6 -2,-0.4 2,-0.3 -0.968 23.2-151.4-162.9 162.5 10.4 16.2 47.9 71 76 A G E + c 0 93A 22 -2,-0.3 2,-0.4 21,-0.2 4,-0.2 -0.914 57.6 12.7-137.0 170.1 9.9 12.4 47.9 72 77 A G S S+ 0 0 17 21,-0.5 2,-1.7 -2,-0.3 34,-0.3 -0.598 136.5 10.1 68.1-125.0 11.1 9.2 49.5 73 78 A A S S- 0 0 61 -2,-0.4 2,-1.5 1,-0.1 -2,-0.2 -0.705 94.1-167.5 -81.0 88.5 13.3 10.2 52.4 74 79 A A + 0 0 1 -2,-1.7 4,-0.4 28,-0.4 -2,-0.1 -0.602 28.3 150.3 -92.9 81.6 12.0 13.7 51.8 75 80 A H > + 0 0 85 -2,-1.5 4,-2.3 -4,-0.2 5,-0.3 0.524 44.2 90.3 -95.0 -9.6 14.3 15.9 53.9 76 81 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 87.2 45.8 -56.6 -52.8 14.3 19.1 51.9 77 82 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.927 115.5 45.8 -60.7 -42.3 11.3 20.9 53.6 78 83 A G H > S+ 0 0 10 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.863 112.2 49.9 -70.4 -37.5 12.4 20.1 57.1 79 84 A X H X S+ 0 0 81 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.871 111.4 49.4 -69.2 -35.4 16.0 21.1 56.6 80 85 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.3 4,-0.5 0.946 110.4 51.1 -62.1 -47.8 14.9 24.4 55.0 81 86 A A H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.3 -2,-0.2 0.843 103.8 59.1 -62.5 -26.9 12.6 25.1 58.0 82 87 A A H 3< S+ 0 0 43 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.679 109.6 44.1 -70.5 -18.3 15.4 24.4 60.4 83 88 A K T << S+ 0 0 71 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 0.330 115.3 33.3-115.1 2.8 17.5 27.2 58.9 84 89 A T < - 0 0 13 -3,-0.8 -1,-0.1 -4,-0.5 4,-0.1 -0.985 59.6-136.2-151.0 157.6 15.0 30.1 58.5 85 90 A L S S+ 0 0 27 -2,-0.3 217,-0.1 -30,-0.1 218,-0.1 0.491 72.7 113.2 -85.8 -11.2 11.9 31.6 60.0 86 91 A V S S- 0 0 2 -31,-0.2 -21,-0.1 1,-0.1 -2,-0.1 -0.496 83.7-102.3 -59.2 128.8 10.3 32.0 56.6 87 92 A P - 0 0 0 0, 0.0 -21,-2.7 0, 0.0 2,-0.5 -0.262 36.2-151.5 -56.3 137.7 7.3 29.6 56.7 88 93 A V E -c 66 0A 1 27,-0.3 29,-2.3 -23,-0.2 2,-0.4 -0.954 8.5-165.4-116.0 128.2 7.9 26.3 54.8 89 94 A L E -cd 67 117A 1 -23,-2.9 -21,-3.2 -2,-0.5 2,-0.4 -0.921 15.6-148.3-109.1 131.2 5.0 24.4 53.2 90 95 A G E -cd 68 118A 0 27,-2.5 29,-2.4 -2,-0.4 -21,-0.2 -0.862 10.4-163.7-110.1 135.4 5.9 20.8 52.2 91 96 A V E -c 69 0A 0 -23,-2.5 -21,-1.9 -2,-0.4 2,-0.6 -0.963 17.3-141.0-115.6 113.8 4.5 18.8 49.3 92 97 A P E -c 70 0A 0 0, 0.0 30,-2.9 0, 0.0 2,-0.3 -0.662 17.2-144.0 -72.6 119.9 5.1 15.0 49.4 93 98 A V E -c 71 0A 13 -23,-2.6 -21,-0.5 -2,-0.6 10,-0.2 -0.617 26.9-103.7 -81.3 138.8 5.9 13.8 45.9 94 99 A Q - 0 0 124 -2,-0.3 2,-0.2 -23,-0.1 -1,-0.1 -0.435 38.1-152.5 -67.5 128.0 4.5 10.4 45.1 95 100 A S > - 0 0 24 -2,-0.2 4,-0.8 1,-0.1 6,-0.1 -0.689 16.2-119.9 -96.8 162.2 7.2 7.7 45.3 96 101 A A T 4 S+ 0 0 98 -2,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.988 100.6 28.3 -72.7 -62.4 7.2 4.5 43.3 97 102 A A T 4 S+ 0 0 95 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.960 132.3 31.7 -65.6 -49.4 7.3 1.6 45.8 98 103 A L T >4 S- 0 0 102 1,-0.0 3,-2.0 2,-0.0 -1,-0.2 0.385 97.9-128.5 -98.5 5.9 5.6 3.3 48.8 99 104 A S T 3< S- 0 0 63 -4,-0.8 -3,-0.1 1,-0.3 -5,-0.1 0.788 73.3 -51.4 56.8 35.0 3.2 5.6 46.8 100 105 A G T 3> S+ 0 0 0 -7,-0.1 4,-2.8 -6,-0.0 -1,-0.3 0.470 109.3 116.2 84.1 2.1 4.3 8.6 48.8 101 106 A V H <> S+ 0 0 45 -3,-2.0 4,-2.8 2,-0.2 5,-0.2 0.893 82.9 47.6 -68.7 -38.5 3.8 7.2 52.3 102 107 A D H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -28,-0.4 0.943 113.2 49.3 -61.3 -46.7 7.6 7.6 52.9 103 108 A S H > S+ 0 0 0 -10,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.938 113.4 46.1 -56.3 -47.2 7.4 11.1 51.5 104 109 A L H >X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 3,-0.8 0.942 114.0 46.0 -63.5 -49.8 4.5 12.0 53.7 105 110 A Y H 3X S+ 0 0 100 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.898 110.4 52.8 -64.2 -39.9 5.9 10.6 56.9 106 111 A S H 3< S+ 0 0 41 -4,-2.4 -1,-0.2 -34,-0.3 -2,-0.2 0.681 120.0 34.9 -73.6 -13.8 9.3 12.1 56.4 107 112 A I H X< S+ 0 0 2 -4,-1.0 3,-0.7 -3,-0.8 -2,-0.2 0.824 120.5 41.6 -98.4 -48.3 7.7 15.7 55.9 108 113 A V H 3< S+ 0 0 2 -4,-3.2 2,-0.3 1,-0.2 8,-0.2 0.830 99.5 70.9 -76.9 -30.4 4.7 15.8 58.2 109 114 A Q T 3< + 0 0 85 -4,-1.6 -1,-0.2 -5,-0.4 -4,-0.1 0.112 64.4 153.5 -81.6 31.5 6.2 14.1 61.3 110 115 A X < - 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