==== 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 01-APR-11 2YF3 . COMPND 2 MOLECULE: MAZG-LIKE NUCLEOSIDE TRIPHOSPHATE PYROPHOSPHOHYDR . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.M.D.GONCALVES,D.DESANCTIS,S.M.MCSWEENEY . 906 8 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 66.4 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 . 12 1.3 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 . 6 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 . 29 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 464 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 1 0 5 2 4 0 0 1 5 0 0 0 6 0 0 0 0 0 0 0 0 0 6 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 . 6 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 -5 A G 0 0 128 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.5 -4.8 11.7 4.0 2 -4 A I - 0 0 143 4,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.542 360.0-178.7 -92.9 163.8 -6.2 14.9 2.8 3 -3 A D > - 0 0 83 -2,-0.2 3,-2.6 1,-0.0 -1,-0.0 -0.916 46.9 -76.3-153.9 174.7 -9.7 15.2 1.1 4 -2 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.687 128.7 52.2 -55.2 -18.9 -12.3 17.5 -0.6 5 -1 A F T 3 S+ 0 0 185 2,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.401 85.1 119.3 -93.0 -3.5 -13.2 18.7 2.9 6 0 A T < - 0 0 65 -3,-2.6 2,-0.6 1,-0.1 -4,-0.1 -0.398 60.5-135.1 -71.7 142.9 -9.6 19.7 3.9 7 1 A M - 0 0 151 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.844 18.9-173.0 -91.2 119.1 -8.5 23.3 4.9 8 2 A S + 0 0 114 -2,-0.6 2,-0.5 2,-0.1 -1,-0.1 0.797 60.5 86.7 -82.2 -32.1 -5.2 23.9 3.1 9 3 A D S S- 0 0 109 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 -0.625 80.8-132.7 -72.1 120.5 -4.4 27.3 4.7 10 4 A L - 0 0 141 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.386 6.5-133.2 -69.2 152.6 -2.5 26.6 7.9 11 5 A P S S+ 0 0 115 0, 0.0 149,-0.2 0, 0.0 -1,-0.1 0.463 88.7 59.7 -91.7 3.3 -3.8 28.5 11.0 12 6 A C S S- 0 0 43 147,-0.1 -2,-0.1 148,-0.1 3,-0.1 -0.998 85.1-121.0-133.6 129.6 -0.3 29.5 12.0 13 7 A P - 0 0 89 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.193 37.7 -94.8 -63.1 155.8 2.3 31.5 10.0 14 8 A P - 0 0 63 0, 0.0 2,-0.1 0, 0.0 5,-0.0 -0.342 46.9-105.7 -61.5 156.4 5.7 30.1 9.0 15 9 A T > - 0 0 39 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.405 27.7-108.7 -78.3 161.5 8.5 31.1 11.4 16 10 A N H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.854 125.6 54.6 -55.4 -34.5 11.1 33.8 10.4 17 11 A A H > S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 106.1 50.6 -65.9 -42.9 13.5 30.8 10.2 18 12 A E H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.862 105.0 58.5 -62.5 -33.8 11.0 29.1 7.8 19 13 A R H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.886 102.9 52.0 -61.0 -42.6 10.9 32.3 5.7 20 14 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.875 106.0 53.9 -62.5 -39.9 14.6 32.1 5.1 21 15 A H H X S+ 0 0 63 -4,-1.6 4,-1.9 1,-0.2 10,-0.3 0.922 110.8 46.8 -59.5 -41.9 14.4 28.6 4.0 22 16 A E H X S+ 0 0 91 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.881 110.6 52.9 -63.9 -42.0 11.8 29.7 1.5 23 17 A F H X S+ 0 0 36 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.927 108.3 50.2 -59.7 -46.3 14.0 32.7 0.4 24 18 A H H <>S+ 0 0 3 -4,-2.8 5,-2.6 1,-0.2 4,-0.4 0.871 108.9 50.6 -65.3 -35.8 16.9 30.4 -0.3 25 19 A R H ><5S+ 0 0 195 -4,-1.9 3,-1.1 -5,-0.2 5,-0.3 0.918 108.9 54.6 -62.9 -41.4 14.8 28.1 -2.4 26 20 A A H 3<5S+ 0 0 47 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 104.6 51.4 -61.5 -36.2 13.7 31.2 -4.3 27 21 A I T 3<5S- 0 0 41 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.487 121.7-106.5 -86.1 -1.4 17.2 32.4 -5.1 28 22 A G T < 5S+ 0 0 72 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.656 92.5 112.8 95.2 21.6 18.0 28.9 -6.5 29 23 A A < - 0 0 38 -5,-2.6 -4,-0.1 -6,-0.2 -3,-0.1 -0.407 50.4-168.0-117.7 49.9 20.1 28.0 -3.5 30 24 A A - 0 0 82 -5,-0.3 -5,-0.1 -2,-0.1 -8,-0.1 -0.178 17.3-143.8 -58.8 118.3 18.1 25.2 -1.9 31 25 A T - 0 0 17 -10,-0.3 68,-0.1 1,-0.1 -1,-0.1 -0.419 17.6 -91.2 -92.7 160.2 19.7 24.7 1.5 32 26 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 69,-0.1 -0.165 17.4-139.6 -70.5 156.7 20.2 21.4 3.5 33 27 A E S S+ 0 0 158 2,-0.1 70,-0.2 67,-0.0 -2,-0.0 0.681 86.4 46.5 -83.7 -19.4 17.7 20.0 6.1 34 28 A R S S- 0 0 116 68,-0.1 68,-0.2 1,-0.1 114,-0.1 -0.892 107.9 -71.6-129.7 157.0 20.4 18.9 8.5 35 29 A P - 0 0 12 0, 0.0 66,-0.3 0, 0.0 189,-0.1 -0.150 56.0-175.0 -54.8 127.8 23.6 20.5 9.9 36 30 A T - 0 0 55 64,-2.9 66,-0.1 -4,-0.1 187,-0.1 -0.977 28.2-121.5-132.5 115.0 26.1 20.6 7.0 37 31 A P - 0 0 54 0, 0.0 187,-0.1 0, 0.0 188,-0.0 -0.361 38.0-139.1 -54.0 127.1 29.7 21.8 7.2 38 32 A P - 0 0 8 0, 0.0 184,-0.2 0, 0.0 62,-0.1 -0.544 11.8-107.5 -92.2 156.8 30.0 24.7 4.7 39 33 A P >> - 0 0 57 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.395 38.1-107.1 -77.8 162.7 32.8 25.5 2.3 40 34 A P H 3> S+ 0 0 37 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.837 117.6 61.0 -61.5 -32.5 35.0 28.5 3.3 41 35 A E H 3> S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.850 103.4 51.7 -63.6 -31.9 33.5 30.8 0.6 42 36 A L H <> S+ 0 0 35 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.901 109.8 49.0 -71.3 -39.5 30.0 30.3 2.2 43 37 A L H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.893 111.3 48.9 -64.4 -44.2 31.5 31.4 5.6 44 38 A R H X S+ 0 0 135 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.878 110.8 51.5 -59.5 -45.2 33.2 34.4 4.2 45 39 A L H X S+ 0 0 83 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.950 110.4 48.4 -56.2 -51.8 29.9 35.4 2.4 46 40 A R H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 110.8 50.1 -61.0 -39.8 27.9 35.1 5.7 47 41 A Q H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.916 108.3 53.9 -64.1 -41.3 30.5 37.2 7.6 48 42 A T H X S+ 0 0 68 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 109.8 47.0 -58.8 -45.1 30.4 39.9 4.9 49 43 A L H X S+ 0 0 41 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.890 111.5 50.5 -65.2 -41.7 26.6 40.2 5.1 50 44 A L H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.914 111.2 48.9 -59.5 -44.5 26.6 40.3 9.0 51 45 A D H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.923 111.3 50.4 -64.5 -45.4 29.2 43.1 8.9 52 46 A E H X S+ 0 0 100 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.945 116.0 39.6 -54.8 -54.8 27.2 45.1 6.4 53 47 A E H X S+ 0 0 28 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.899 114.2 53.4 -68.8 -39.6 23.9 45.0 8.3 54 48 A S H X S+ 0 0 10 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.887 109.0 51.0 -58.9 -41.6 25.6 45.4 11.7 55 49 A A H X S+ 0 0 49 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.904 110.4 48.4 -61.8 -41.8 27.3 48.6 10.2 56 50 A E H X S+ 0 0 78 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.885 110.7 50.9 -64.8 -42.0 23.9 49.9 9.0 57 51 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 28,-0.2 -2,-0.2 0.944 109.9 49.9 -59.4 -49.3 22.2 49.2 12.4 58 52 A R H X S+ 0 0 89 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.880 108.4 53.4 -59.2 -40.5 25.1 51.1 14.2 59 53 A A H X S+ 0 0 35 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.908 109.6 47.9 -62.5 -40.5 24.7 54.1 11.8 60 54 A E H X S+ 0 0 48 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 112.7 47.9 -67.8 -38.2 20.9 54.4 12.6 61 55 A I H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.940 112.3 50.7 -64.8 -43.8 21.6 54.1 16.4 62 56 A D H X S+ 0 0 83 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.883 109.3 50.5 -58.3 -43.3 24.3 56.8 16.0 63 57 A H H X S+ 0 0 100 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.912 110.7 47.9 -65.1 -43.3 21.9 59.1 14.1 64 58 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 112.6 49.9 -60.9 -45.2 19.1 58.8 16.7 65 59 A L H X S+ 0 0 36 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.823 107.3 53.7 -62.6 -35.1 21.7 59.5 19.5 66 60 A A H X S+ 0 0 61 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.909 109.6 48.4 -68.2 -42.4 23.1 62.6 17.7 67 61 A R H <>S+ 0 0 83 -4,-1.9 5,-2.3 1,-0.2 -2,-0.2 0.884 110.6 50.5 -65.8 -39.5 19.6 64.0 17.4 68 62 A Q H ><5S+ 0 0 35 -4,-2.1 3,-1.3 3,-0.2 -1,-0.2 0.880 107.6 53.9 -62.2 -38.9 18.8 63.3 21.1 69 63 A A H 3<5S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.858 104.0 56.0 -63.0 -35.5 22.1 65.1 22.1 70 64 A A T 3<5S- 0 0 82 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.473 127.9-101.9 -75.1 -4.0 21.0 68.1 20.1 71 65 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.530 70.3 149.9 97.2 5.9 17.8 68.2 22.3 72 66 A E < - 0 0 96 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.3 -0.477 43.2-136.0 -72.5 142.0 15.3 66.6 19.8 73 67 A A - 0 0 97 -2,-0.2 2,-0.1 112,-0.0 -1,-0.1 -0.870 27.7-132.5 -95.4 119.7 12.4 64.5 21.1 74 68 A L - 0 0 19 -2,-0.6 2,-0.2 112,-0.2 -10,-0.0 -0.458 14.0-146.2 -74.5 149.9 12.1 61.4 18.9 75 69 A S > - 0 0 58 -2,-0.1 3,-0.6 1,-0.1 4,-0.4 -0.630 28.6-109.6-101.1 163.4 8.8 60.2 17.4 76 70 A A G > S+ 0 0 8 1,-0.2 3,-1.7 -2,-0.2 4,-0.3 0.914 120.8 57.7 -53.0 -43.3 7.7 56.6 16.8 77 71 A G G > S+ 0 0 31 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.740 93.4 66.6 -61.0 -24.3 8.1 57.3 13.0 78 72 A D G < S+ 0 0 44 -3,-0.6 4,-0.4 1,-0.2 -1,-0.3 0.690 92.1 63.8 -69.5 -18.9 11.8 58.2 13.6 79 73 A L G <> S+ 0 0 0 -3,-1.7 4,-3.2 -4,-0.4 -1,-0.2 0.600 74.3 93.1 -82.3 -13.0 12.5 54.5 14.5 80 74 A A H <> S+ 0 0 1 -3,-1.0 4,-3.0 -4,-0.3 5,-0.2 0.880 84.8 48.1 -53.3 -48.3 11.6 53.1 11.1 81 75 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.925 115.2 45.3 -61.2 -42.4 15.2 53.1 9.7 82 76 A L H > S+ 0 0 3 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.934 114.1 49.3 -63.1 -46.7 16.6 51.5 12.8 83 77 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.916 109.5 52.5 -55.2 -47.6 13.7 49.0 12.8 84 78 A H H X S+ 0 0 56 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.933 112.5 44.3 -54.9 -47.2 14.4 48.2 9.1 85 79 A E H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 -28,-0.2 0.851 109.3 54.6 -71.3 -34.6 18.1 47.6 9.7 86 80 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 111.4 47.0 -64.0 -42.1 17.5 45.4 12.8 87 81 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.888 109.3 52.7 -62.4 -43.6 15.1 43.3 10.6 88 82 A D H X S+ 0 0 22 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.886 108.9 52.4 -56.8 -39.1 17.8 43.2 7.8 89 83 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.932 109.3 47.2 -67.4 -42.6 20.2 41.9 10.6 90 84 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.914 108.8 58.0 -58.6 -41.5 17.8 39.2 11.6 91 85 A Y H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.917 111.7 38.0 -57.6 -45.7 17.4 38.3 7.9 92 86 A V H X S+ 0 0 14 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.683 115.9 54.0 -83.9 -14.9 21.1 37.7 7.4 93 87 A T H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 3,-0.2 0.933 114.0 39.8 -78.6 -55.6 21.5 36.0 10.8 94 88 A Y H X S+ 0 0 3 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.910 112.5 61.2 -50.1 -43.0 18.7 33.5 10.1 95 89 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.4 -2,-0.2 0.895 102.8 48.9 -55.0 -42.6 20.2 33.4 6.6 96 90 A A H X S+ 0 0 4 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.917 112.1 47.4 -65.7 -44.9 23.5 32.1 8.0 97 91 A L H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 3,-0.3 0.918 111.1 51.4 -63.1 -43.6 21.9 29.4 10.1 98 92 A D H ><5S+ 0 0 19 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.908 107.7 51.7 -59.9 -39.0 19.7 28.2 7.3 99 93 A Q H 3<5S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 107.3 55.0 -73.4 -21.1 22.7 27.9 4.9 100 94 A L T 3<5S- 0 0 3 -4,-1.3 -64,-2.9 -3,-0.3 -1,-0.3 0.463 114.4-121.1 -83.0 -4.6 24.4 25.8 7.6 101 95 A G T < 5 + 0 0 4 -3,-1.6 2,-0.6 -4,-0.3 -3,-0.2 0.708 68.2 139.6 69.5 23.1 21.4 23.5 7.6 102 96 A I < - 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0 0 4 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.2 -0.825 59.9-123.2 -98.9 122.3 8.1 47.3 17.7 251 97 B D > - 0 0 75 -2,-0.6 4,-1.9 1,-0.2 3,-0.2 -0.449 22.0-162.9 -62.8 105.6 6.6 43.9 16.7 252 98 B A H > S+ 0 0 4 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.823 86.0 56.7 -63.2 -31.4 9.6 42.3 15.1 253 99 B D H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 107.0 48.9 -69.7 -37.6 7.5 39.7 13.2 254 100 B A H > S+ 0 0 29 2,-0.2 4,-1.4 -3,-0.2 -2,-0.2 0.915 114.3 44.9 -65.2 -44.9 5.5 42.4 11.5 255 101 B V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.2 0.949 114.1 49.4 -65.0 -49.2 8.6 44.3 10.4 256 102 B F H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.886 105.2 57.7 -55.4 -42.0 10.3 41.0 9.3 257 103 B A H X S+ 0 0 40 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.910 108.6 47.5 -56.1 -39.6 7.3 40.0 7.2 258 104 B E H X S+ 0 0 29 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.907 112.9 45.9 -72.9 -40.7 7.5 43.2 5.3 259 105 B V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.915 113.0 51.7 -64.3 -46.3 11.3 42.8 4.7 260 106 B H H X S+ 0 0 12 -4,-3.3 4,-3.3 1,-0.2 5,-0.3 0.926 106.6 54.8 -55.1 -45.3 10.7 39.2 3.7 261 107 B R H X S+ 0 0 61 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.910 112.1 41.5 -56.8 -50.4 8.0 40.3 1.3 262 108 B A H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.849 116.6 49.3 -64.3 -38.8 10.3 42.7 -0.6 263 109 B N H X S+ 0 0 43 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.921 111.5 47.6 -68.5 -43.1 13.3 40.3 -0.5 264 110 B L H X S+ 0 0 47 -4,-3.3 4,-0.7 1,-0.2 -2,-0.2 0.908 111.7 52.0 -66.9 -39.3 11.3 37.4 -1.9 265 111 B S H >< S+ 0 0 35 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.900 108.0 50.3 -59.5 -47.6 9.9 39.6 -4.6 266 112 B K H >< S+ 0 0 73 -4,-2.0 3,-2.1 1,-0.2 -1,-0.2 0.876 102.5 63.1 -57.5 -37.2 13.4 40.7 -5.6 267 113 B A H 3< S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.733 92.2 65.1 -60.2 -23.8 14.4 37.1 -5.8 268 114 B S T << S+ 0 0 86 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.475 85.9 93.1 -83.4 -0.2 11.9 36.6 -8.5 269 115 B G S < S- 0 0 13 -3,-2.1 10,-0.1 9,-0.3 2,-0.0 -0.310 84.7 -93.9 -83.5 177.0 13.8 38.9 -10.9 270 116 B P - 0 0 83 0, 0.0 8,-2.6 0, 0.0 2,-0.4 -0.307 37.0-120.7 -80.1 170.2 16.4 37.8 -13.5 271 117 B R B -B 277 0B 119 6,-0.2 6,-0.2 -2,-0.0 5,-0.1 -0.911 20.2-115.3-109.6 143.2 20.2 37.7 -12.7 272 118 B R > - 0 0 119 4,-2.7 3,-2.3 -2,-0.4 6,-0.0 -0.304 40.1 -99.4 -55.0 158.1 23.0 39.6 -14.6 273 119 B A T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.832 126.3 56.0 -52.5 -35.7 25.6 37.4 -16.4 274 120 B D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.409 125.2-102.2 -79.9 -0.4 27.9 37.9 -13.4 275 121 B G S < S+ 0 0 36 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.375 70.3 148.1 102.8 -6.7 25.3 36.5 -11.0 276 122 B K - 0 0 107 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.480 51.0-118.5 -67.8 128.3 24.0 39.7 -9.5 277 123 B Q B -B 271 0B 27 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.464 30.7-160.9 -60.1 126.0 20.3 39.5 -8.6 278 124 B L - 0 0 59 -8,-2.6 -9,-0.3 -2,-0.2 -1,-0.0 -0.796 20.0-108.6-104.5 158.6 18.2 42.1 -10.5 279 125 B K - 0 0 109 -2,-0.3 -13,-0.1 -10,-0.1 2,-0.1 -0.508 29.4-122.0 -78.6 151.1 14.7 43.3 -9.5 280 126 B P > - 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0 0 82 0, 0.0 8,-2.8 0, 0.0 2,-0.4 -0.244 32.5-112.8 -75.7 170.3 49.9 20.0 69.3 579 117 D R B -D 585 0D 86 6,-0.2 6,-0.2 2,-0.0 5,-0.1 -0.862 33.7-118.7 -98.0 141.2 47.6 23.1 69.2 580 118 D R > - 0 0 115 4,-2.6 3,-3.1 -2,-0.4 -1,-0.0 -0.386 32.2 -98.8 -71.6 161.3 48.6 26.0 71.5 581 119 D A T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.905 128.9 47.7 -47.8 -44.3 46.1 27.2 74.3 582 120 D D T 3 S- 0 0 113 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.333 127.6 -99.3 -79.7 5.7 45.1 30.0 71.8 583 121 D G S < S+ 0 0 40 -3,-3.1 2,-0.2 1,-0.3 -2,-0.1 0.406 70.4 145.6 97.2 -2.1 44.7 27.5 68.9 584 122 D K - 0 0 114 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.517 54.5-114.3 -76.1 136.4 47.9 27.9 66.9 585 123 D Q B -D 579 0D 16 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.2 -0.547 38.5-165.5 -59.3 119.2 49.3 24.8 65.1 586 124 D L - 0 0 51 -8,-2.8 -9,-0.3 -2,-0.4 -1,-0.0 -0.576 17.0-108.7-104.0 173.8 52.6 24.0 66.8 587 125 D K - 0 0 111 -2,-0.2 -13,-0.1 -10,-0.2 3,-0.1 -0.777 25.8-116.6-107.6 145.6 55.3 21.6 65.6 588 126 D P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 -11,-0.1 -0.321 49.2 -76.7 -72.1 165.1 56.3 18.2 67.0 589 127 D E T 3 S+ 0 0 198 1,-0.2 0, 0.0 -2,-0.0 0, 0.0 -0.336 120.3 18.0 -54.1 138.0 59.8 17.6 68.5 590 128 D G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.524 85.6 170.9 75.8 6.0 62.4 17.2 65.7 591 129 D W < - 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0 0 20 0, 0.0 8,-2.6 0, 0.0 2,-0.4 -0.230 38.7-111.4 -78.0 171.1 13.6 37.2 41.4 883 117 F R B -F 889 0F 83 -762,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.869 23.4-128.3-102.2 143.1 12.4 40.8 41.6 884 118 F R > - 0 0 118 4,-3.1 3,-2.4 -2,-0.4 -710,-0.1 -0.410 35.4 -99.0 -76.3 161.2 9.3 42.0 39.7 885 119 F A T 3 S+ 0 0 76 -712,-0.3 -1,-0.1 1,-0.3 -711,-0.0 0.847 125.3 52.0 -44.4 -41.4 9.6 45.2 37.4 886 120 F D T 3 S- 0 0 109 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.412 126.4 -99.4 -81.8 6.3 8.1 47.3 40.2 887 121 F G S < S+ 0 0 48 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.293 71.0 151.2 99.2 -14.1 10.6 46.1 42.8 888 122 F K - 0 0 109 -5,-0.1 -4,-3.1 1,-0.1 2,-0.5 -0.301 50.4-117.4 -59.8 137.2 8.3 43.5 44.4 889 123 F Q B -F 883 0F 36 -6,-0.2 -6,-0.2 1,-0.0 2,-0.2 -0.589 34.8-163.5 -72.3 120.6 10.1 40.5 45.9 890 124 F L - 0 0 58 -8,-2.6 -9,-0.4 -2,-0.5 -1,-0.0 -0.563 17.4-108.0 -98.5 170.7 8.9 37.3 44.1 891 125 F K - 0 0 106 -2,-0.2 -13,-0.1 -10,-0.1 3,-0.1 -0.729 24.8-118.3-101.4 149.8 9.4 33.7 45.3 892 126 F P > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 -11,-0.1 -0.298 48.4 -75.6 -73.4 165.1 11.7 31.0 44.0 893 127 F E T 3 S+ 0 0 202 1,-0.2 -760,-0.1 -773,-0.1 -773,-0.0 -0.346 120.8 17.6 -55.4 134.9 10.5 27.7 42.5 894 128 F G T 3 S+ 0 0 68 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.526 83.7 169.1 79.2 4.6 9.3 25.4 45.3 895 129 F W < - 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0 0 118 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.053 53.2 -98.1 -51.2 156.3 12.4 14.1 73.1 912 146 F A 0 0 78 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.393 360.0 360.0 -73.7 156.5 12.5 15.1 76.8 913 147 F D 0 0 181 -2,-0.1 -1,-0.1 0, 0.0 -120,-0.0 -0.472 360.0 360.0 -71.6 360.0 15.3 17.4 78.2