==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-APR-11 2YF9 . COMPND 2 MOLECULE: MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDR . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.M.D.GONCALVES,D.DE SANCTIS,S.M.MCSWEENEY . 141 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0.7 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 . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 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 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 -4 A I 0 0 128 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.2 18.8 11.3 -0.6 2 -3 A D > - 0 0 74 0, 0.0 3,-2.5 0, 0.0 0, 0.0 -0.905 360.0 -72.2-157.9 174.5 22.3 12.7 0.2 3 -2 A P T 3 S+ 0 0 111 0, 0.0 106,-0.0 0, 0.0 0, 0.0 0.713 127.9 59.5 -53.3 -22.0 24.1 15.9 0.5 4 -1 A F T 3 0 0 33 119,-0.1 119,-0.1 118,-0.0 105,-0.0 0.694 360.0 360.0 -82.1 -9.8 23.9 16.4 -3.2 5 0 A T < 0 0 136 -3,-2.5 0, 0.0 117,-0.1 0, 0.0 0.707 360.0 360.0 -83.0 360.0 20.1 16.3 -3.1 6 ! 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 7 7 A P 0 0 166 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.1 42.9 26.3 18.8 8 8 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.332 360.0-124.8 -65.6 148.1 41.4 22.9 19.6 9 9 A T > - 0 0 48 1,-0.1 4,-1.8 -2,-0.0 3,-0.1 -0.412 27.3-105.4 -85.8 167.4 39.1 21.3 17.2 10 10 A N H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.849 122.3 56.6 -62.1 -32.6 35.6 20.1 18.2 11 11 A A H > S+ 0 0 13 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.907 106.6 49.7 -64.1 -40.0 36.7 16.5 18.2 12 12 A E H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.843 103.8 59.8 -68.3 -32.9 39.4 17.5 20.7 13 13 A R H X S+ 0 0 109 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.896 101.7 53.9 -59.7 -39.4 36.8 19.2 22.9 14 14 A L H X S+ 0 0 4 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.828 104.5 54.2 -66.1 -32.0 35.0 15.9 23.2 15 15 A H H X S+ 0 0 56 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.929 109.2 48.2 -65.4 -44.4 38.2 14.3 24.5 16 16 A E H X S+ 0 0 140 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.900 112.1 50.7 -57.2 -44.7 38.4 17.0 27.2 17 17 A F H X S+ 0 0 81 -4,-2.3 4,-1.2 2,-0.2 6,-0.2 0.923 109.3 49.0 -61.8 -46.2 34.7 16.4 28.0 18 18 A H H X>S+ 0 0 6 -4,-2.5 5,-2.9 1,-0.2 4,-0.6 0.860 107.3 55.1 -67.6 -33.2 35.1 12.6 28.4 19 19 A R H ><5S+ 0 0 211 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.918 108.1 52.4 -58.4 -44.5 38.1 13.1 30.6 20 20 A A H 3<5S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.728 113.1 40.3 -64.4 -29.9 35.8 15.3 32.8 21 21 A I H 3<5S- 0 0 97 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.361 114.8-109.4-103.6 5.7 33.1 12.8 33.1 22 22 A G T <<5 0 0 71 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.696 360.0 360.0 81.1 19.3 35.4 9.8 33.6 23 23 A A < 0 0 45 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 0.853 360.0 360.0 -88.3 360.0 34.5 8.4 30.2 24 ! 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 25 25 A T 0 0 41 0, 0.0 68,-0.1 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 156.9 38.9 7.5 26.4 26 26 A P - 0 0 40 0, 0.0 69,-0.1 0, 0.0 4,-0.1 -0.056 360.0-148.7 -57.8 152.2 41.2 5.5 24.2 27 27 A E S S+ 0 0 148 2,-0.1 70,-0.1 67,-0.0 67,-0.0 0.630 85.6 45.4 -93.1 -20.2 43.9 6.9 22.0 28 28 A R S S- 0 0 133 68,-0.1 68,-0.1 1,-0.0 114,-0.1 -0.863 110.7 -73.4-120.2 156.7 43.6 4.2 19.3 29 29 A P + 0 0 20 0, 0.0 66,-0.3 0, 0.0 67,-0.1 -0.260 62.3 169.5 -54.0 130.2 40.4 2.7 17.8 30 30 A T - 0 0 63 64,-2.9 66,-0.1 -4,-0.1 112,-0.0 -0.970 35.1-118.2-150.1 124.8 38.8 0.5 20.4 31 31 A P - 0 0 111 0, 0.0 63,-0.0 0, 0.0 64,-0.0 -0.361 32.9-135.0 -62.8 141.1 35.4 -1.2 20.6 32 32 A P - 0 0 23 0, 0.0 62,-0.1 0, 0.0 5,-0.0 -0.493 30.3 -82.6 -91.1 166.2 33.3 -0.1 23.4 33 33 A P >> - 0 0 64 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.430 41.2-115.4 -64.5 145.4 31.2 -2.2 25.8 34 34 A P H 3> S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.815 114.4 56.2 -47.1 -42.9 27.9 -3.2 24.4 35 35 A E H 3> S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.876 107.4 49.2 -67.0 -32.9 26.0 -1.3 27.1 36 36 A L H <> S+ 0 0 49 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.849 109.4 50.8 -70.5 -39.1 27.8 1.9 26.1 37 37 A L H X S+ 0 0 89 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.930 109.1 53.2 -60.4 -47.7 27.0 1.4 22.4 38 38 A R H X S+ 0 0 137 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.914 110.4 46.6 -53.9 -46.5 23.4 0.9 23.3 39 39 A L H X S+ 0 0 121 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.929 110.6 51.2 -62.4 -47.8 23.4 4.1 25.2 40 40 A R H X S+ 0 0 35 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.886 108.0 54.1 -57.4 -38.7 25.1 6.0 22.4 41 41 A Q H X S+ 0 0 135 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.914 110.0 47.8 -63.7 -40.4 22.5 4.6 20.0 42 42 A T H X S+ 0 0 68 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 111.1 48.8 -69.1 -42.6 19.8 6.0 22.2 43 43 A L H X S+ 0 0 50 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.925 109.7 49.8 -66.5 -45.2 21.2 9.3 22.6 44 44 A L H X S+ 0 0 54 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.945 111.2 53.2 -58.0 -43.4 21.8 9.8 18.9 45 45 A D H X S+ 0 0 109 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.5 43.0 -55.2 -51.1 18.2 8.7 18.4 46 46 A E H X S+ 0 0 104 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 113.6 48.9 -66.1 -45.5 16.9 11.3 20.9 47 47 A E H X S+ 0 0 30 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.857 111.3 49.9 -67.9 -35.3 19.1 14.2 19.7 48 48 A S H X S+ 0 0 40 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.874 109.3 53.4 -70.7 -34.9 18.2 13.7 16.1 49 49 A A H X S+ 0 0 40 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.909 108.5 49.1 -62.3 -43.3 14.5 13.6 17.1 50 50 A E H X S+ 0 0 83 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 110.6 50.2 -63.6 -42.3 14.9 16.9 18.9 51 51 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.954 111.1 49.0 -59.0 -47.9 16.6 18.5 15.8 52 52 A R H X S+ 0 0 136 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.877 109.0 53.1 -64.1 -35.9 13.8 17.2 13.6 53 53 A A H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.883 107.7 50.6 -62.1 -41.1 11.2 18.6 16.0 54 54 A E H X S+ 0 0 45 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.860 108.5 52.4 -68.0 -34.3 12.8 22.1 15.9 55 55 A I H X S+ 0 0 68 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.943 105.9 54.9 -63.3 -44.6 12.8 21.9 12.1 56 56 A D H X S+ 0 0 106 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.910 107.0 50.3 -51.9 -47.4 9.1 21.2 12.2 57 57 A H H X S+ 0 0 103 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.908 112.1 46.4 -59.5 -44.2 8.4 24.3 14.3 58 58 A L H X S+ 0 0 19 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.904 111.1 52.6 -65.9 -40.2 10.4 26.5 11.9 59 59 A L H X S+ 0 0 92 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.897 108.2 50.9 -61.8 -40.9 8.5 24.9 8.9 60 60 A A H X S+ 0 0 64 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.906 111.2 48.1 -63.6 -41.5 5.2 25.7 10.6 61 61 A R H <>S+ 0 0 81 -4,-2.0 5,-2.2 2,-0.2 4,-0.3 0.901 112.5 48.2 -66.4 -42.0 6.2 29.3 11.1 62 62 A Q H ><5S+ 0 0 108 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.903 108.7 54.2 -62.6 -40.7 7.4 29.7 7.5 63 63 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 103.0 56.9 -63.0 -31.6 4.2 28.1 6.2 64 64 A A T 3<5S- 0 0 86 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.515 128.5 -99.8 -77.3 -5.8 2.2 30.7 8.2 65 65 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.432 70.5 150.4 105.5 2.1 4.1 33.3 6.2 66 66 A E < - 0 0 92 -5,-2.2 2,-0.8 1,-0.1 -1,-0.3 -0.413 42.2-144.3 -69.6 141.4 6.8 34.4 8.7 67 67 A A - 0 0 99 -2,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.899 33.0-133.7 -97.7 101.8 10.2 35.7 7.7 68 68 A L - 0 0 39 -2,-0.8 2,-0.1 -10,-0.1 -10,-0.0 -0.215 12.8-136.9 -61.8 142.0 12.3 34.2 10.4 69 69 A S > - 0 0 61 1,-0.1 4,-0.5 0, 0.0 3,-0.3 -0.464 28.4-103.3 -88.7 170.3 14.9 36.3 12.2 70 70 A A T >4 S+ 0 0 85 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.933 122.9 54.9 -58.7 -45.2 18.4 35.2 13.1 71 71 A G G >4 S+ 0 0 53 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.835 96.8 64.3 -56.3 -36.6 17.4 34.8 16.7 72 72 A D G 34 S+ 0 0 43 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.688 96.3 60.2 -61.2 -20.5 14.5 32.5 15.7 73 73 A L G S+ 0 0 57 -3,-2.0 4,-3.0 1,-0.2 5,-0.2 0.907 81.5 49.9 -62.5 -47.0 18.8 29.7 17.9 75 75 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.929 114.6 45.7 -60.7 -41.4 16.9 26.6 19.1 76 76 A L H > S+ 0 0 31 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.927 113.7 49.0 -62.8 -45.8 17.6 24.7 15.9 77 77 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.893 110.7 52.0 -59.7 -41.0 21.3 25.8 16.0 78 78 A H H X S+ 0 0 117 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.947 111.6 45.1 -61.3 -48.4 21.5 24.7 19.6 79 79 A E H X S+ 0 0 30 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.886 110.7 54.1 -65.0 -39.7 20.1 21.2 18.8 80 80 A L H X S+ 0 0 79 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.932 109.9 47.3 -59.4 -44.6 22.3 20.8 15.8 81 81 A A H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.866 108.8 54.9 -63.9 -36.9 25.3 21.6 18.0 82 82 A D H X S+ 0 0 46 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.887 108.2 49.7 -60.2 -40.2 24.0 19.1 20.6 83 83 A L H X S+ 0 0 40 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.906 109.0 50.3 -67.1 -42.5 23.9 16.5 17.8 84 84 A L H X S+ 0 0 95 -4,-2.3 4,-3.3 1,-0.2 5,-0.4 0.924 108.5 56.4 -55.9 -43.3 27.5 17.3 16.7 85 85 A Y H X S+ 0 0 95 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 111.1 39.3 -58.9 -47.6 28.4 16.9 20.4 86 86 A V H X S+ 0 0 13 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.733 116.3 52.2 -80.0 -18.6 27.0 13.4 20.7 87 87 A T H X S+ 0 0 60 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.917 113.5 42.2 -77.9 -48.6 28.3 12.4 17.3 88 88 A Y H X S+ 0 0 43 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.864 111.3 60.5 -58.6 -36.7 31.8 13.6 18.1 89 89 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.4 -2,-0.2 0.910 102.9 49.5 -57.1 -45.2 31.2 11.9 21.4 90 90 A A H X S+ 0 0 18 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.931 111.3 48.1 -58.5 -50.2 30.7 8.5 19.7 91 91 A L H <>S+ 0 0 47 -4,-1.8 5,-2.4 1,-0.2 4,-0.3 0.914 112.7 48.9 -62.7 -40.4 33.9 8.8 17.7 92 92 A D H ><5S+ 0 0 19 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.926 108.6 53.3 -65.4 -42.9 35.9 9.9 20.8 93 93 A Q H 3<5S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.1 52.8 -57.1 -35.6 34.4 7.0 22.7 94 94 A L T 3<5S- 0 0 50 -4,-1.9 -64,-2.9 -5,-0.2 -1,-0.3 0.487 113.2-120.8 -78.2 -4.8 35.6 4.7 19.9 95 95 A G T < 5 + 0 0 6 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.789 66.6 141.9 64.9 29.6 39.1 6.1 20.2 96 96 A I < - 0 0 31 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.2 -0.912 59.7-121.3-106.4 124.1 38.8 7.2 16.5 97 97 A D > - 0 0 78 -2,-0.5 4,-1.7 1,-0.2 3,-0.3 -0.498 25.0-161.6 -60.5 103.3 40.3 10.5 15.5 98 98 A A H > S+ 0 0 8 -2,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.838 84.7 56.2 -61.8 -34.3 37.2 12.2 14.1 99 99 A D H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.892 105.4 50.8 -68.4 -37.9 39.1 14.8 12.1 100 100 A A H > S+ 0 0 18 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.931 115.3 42.5 -64.3 -44.8 41.1 12.1 10.2 101 101 A V H X S+ 0 0 21 -4,-1.7 4,-2.0 1,-0.2 3,-0.3 0.927 114.3 51.4 -68.2 -42.2 38.0 10.3 9.2 102 102 A F H X S+ 0 0 130 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.892 105.3 56.2 -61.3 -41.3 36.1 13.5 8.4 103 103 A A H X S+ 0 0 61 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.859 109.0 46.5 -58.6 -38.0 38.9 14.7 6.2 104 104 A E H X S+ 0 0 31 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.879 113.1 48.2 -75.0 -37.8 38.7 11.5 4.0 105 105 A V H X S+ 0 0 51 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.912 112.9 49.6 -66.2 -40.5 34.9 11.8 3.8 106 106 A H H X S+ 0 0 97 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.888 106.6 55.2 -65.5 -40.8 35.2 15.4 2.9 107 107 A R H X S+ 0 0 60 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.951 111.9 43.5 -55.6 -49.8 37.8 14.6 0.2 108 108 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.903 115.8 47.2 -65.3 -43.2 35.4 12.2 -1.5 109 109 A N H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.922 112.8 47.9 -64.9 -46.6 32.4 14.5 -1.2 110 110 A L H X S+ 0 0 107 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.914 113.1 49.9 -60.4 -42.2 34.2 17.5 -2.5 111 111 A S H >< S+ 0 0 36 -4,-2.2 3,-1.4 -5,-0.3 -2,-0.2 0.927 108.5 51.1 -62.9 -45.6 35.5 15.4 -5.4 112 112 A K H >< S+ 0 0 36 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.884 102.4 62.0 -60.0 -36.1 32.1 14.1 -6.2 113 113 A A H 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.731 95.0 63.1 -60.3 -22.4 30.8 17.7 -6.3 114 114 A S T << S+ 0 0 86 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.461 84.6 100.1 -85.9 -1.5 33.2 18.3 -9.2 115 115 A G S < S- 0 0 12 -3,-2.0 10,-0.1 9,-0.2 2,-0.1 -0.257 82.5 -94.7 -74.6 170.5 31.5 15.9 -11.4 116 116 A P - 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