==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-13 4IQY . COMPND 2 MOLECULE: O-ACETYL-ADP-RIBOSE DEACETYLASE MACROD2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.JANKEVICIUS,M.HASSLER,B.GOLIA,V.RYBIN,M.ZACHARIAS,G.TIMINS . 440 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.7 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 . 29 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 1 0 1 1 2 2 0 0 0 0 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 10 A V > 0 0 132 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -49.9 25.4 28.9 11.2 2 11 A W H > + 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.905 360.0 52.2 -63.2 -38.8 23.5 25.9 9.8 3 12 A R H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 112.1 45.6 -62.7 -39.1 24.9 23.8 12.6 4 13 A E H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 113.4 47.9 -69.9 -46.0 23.6 26.4 15.1 5 14 A E H X S+ 0 0 51 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.904 112.4 51.5 -60.4 -41.8 20.2 26.7 13.5 6 15 A K H X S+ 0 0 50 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.933 109.8 46.8 -61.5 -49.4 19.9 22.9 13.4 7 16 A E H X S+ 0 0 123 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.899 114.5 49.7 -60.8 -39.4 20.7 22.5 17.1 8 17 A R H >< S+ 0 0 89 -4,-2.3 3,-0.7 1,-0.2 4,-0.4 0.934 112.1 45.8 -64.0 -49.0 18.2 25.2 17.9 9 18 A L H >< S+ 0 0 6 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.866 107.0 57.0 -63.9 -40.0 15.4 23.9 15.8 10 19 A L H 3< S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.680 103.5 55.8 -70.1 -16.0 15.7 20.3 17.0 11 20 A K T << S+ 0 0 146 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.591 93.1 95.0 -86.2 -14.1 15.3 21.4 20.6 12 21 A M < - 0 0 21 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.0 -0.429 68.6-129.3 -87.3 153.2 11.9 23.1 19.9 13 22 A T > - 0 0 56 -2,-0.1 4,-3.0 1,-0.1 3,-0.2 -0.548 31.3-106.3 -89.3 162.8 8.4 21.8 20.2 14 23 A L H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 123.0 57.0 -49.7 -46.3 5.7 22.0 17.5 15 24 A E H 4 S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.898 111.2 41.2 -55.1 -45.0 4.1 24.8 19.5 16 25 A E H >4 S+ 0 0 84 -3,-0.2 3,-1.1 1,-0.2 4,-0.4 0.917 114.0 51.8 -69.3 -46.7 7.3 26.8 19.4 17 26 A R H >X S+ 0 0 18 -4,-3.0 3,-1.8 1,-0.2 4,-0.7 0.878 100.0 63.8 -58.0 -40.6 8.1 26.0 15.7 18 27 A R T 3< S+ 0 0 79 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.726 93.4 63.1 -60.4 -22.2 4.6 27.1 14.6 19 28 A K T <4 S+ 0 0 185 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.715 108.4 40.1 -76.8 -19.7 5.3 30.6 15.7 20 29 A E T <4 S+ 0 0 88 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.424 80.6 131.3-108.1 -1.8 8.2 31.0 13.2 21 30 A Y < - 0 0 30 -4,-0.7 97,-0.1 -3,-0.3 4,-0.1 -0.257 43.8-158.1 -52.8 136.4 6.6 29.2 10.2 22 31 A L S S+ 0 0 130 95,-0.4 2,-0.3 68,-0.2 -1,-0.2 0.621 75.7 30.2 -90.9 -17.6 7.0 31.3 7.0 23 32 A R S S- 0 0 118 94,-0.2 -3,-0.0 1,-0.1 -2,-0.0 -0.834 94.8 -85.5-133.1 170.4 4.1 29.4 5.3 24 33 A D - 0 0 125 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.214 47.9-153.2 -68.2 169.2 0.9 27.6 6.2 25 34 A Y - 0 0 62 -4,-0.1 39,-0.2 93,-0.1 38,-0.1 -0.953 17.3-127.5-147.0 161.3 1.2 24.0 7.2 26 35 A I E -a 64 0A 42 37,-2.7 39,-2.8 -2,-0.3 2,-0.1 -0.950 29.1-139.7-114.7 111.5 -0.7 20.7 7.3 27 36 A P E > -a 65 0A 29 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.406 16.9-122.4 -70.1 149.1 -0.7 18.9 10.7 28 37 A L G > S+ 0 0 43 37,-0.7 3,-1.5 1,-0.3 38,-0.1 0.822 110.1 62.1 -57.7 -35.5 -0.3 15.1 10.8 29 38 A N G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.575 96.9 58.8 -71.7 -7.5 -3.6 14.8 12.7 30 39 A S G < S+ 0 0 64 -3,-1.8 2,-0.7 2,-0.1 -1,-0.3 0.527 89.1 88.2 -93.4 -8.8 -5.5 16.3 9.7 31 40 A I S < S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.3 26,-0.1 -0.820 76.7-136.9 -95.7 115.6 -4.2 13.5 7.4 32 41 A L - 0 0 83 -2,-0.7 24,-0.3 24,-0.1 -2,-0.1 -0.420 11.6-126.0 -72.1 139.6 -6.3 10.4 7.4 33 42 A S >> - 0 0 4 22,-0.1 4,-1.8 -2,-0.1 3,-0.5 -0.363 33.5-106.4 -67.5 164.3 -4.9 6.9 7.5 34 43 A W H 3> S+ 0 0 10 20,-2.6 4,-1.2 17,-0.8 18,-0.2 0.885 122.0 62.3 -61.6 -35.8 -6.0 4.7 4.7 35 44 A K H 34 S+ 0 0 74 16,-1.5 -1,-0.2 19,-0.3 17,-0.1 0.839 107.5 41.7 -55.5 -38.7 -8.2 2.9 7.3 36 45 A E H X4 S+ 0 0 71 -3,-0.5 3,-1.4 15,-0.2 4,-0.2 0.843 107.0 58.8 -81.5 -36.4 -10.2 6.1 7.9 37 46 A E H 3< S+ 0 0 72 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.758 106.7 49.8 -66.1 -24.6 -10.5 7.3 4.3 38 47 A M T >< S+ 0 0 77 -4,-1.2 3,-1.9 1,-0.2 -1,-0.3 0.360 79.9 99.6 -95.3 2.2 -12.3 4.1 3.4 39 48 A K T < S+ 0 0 83 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.754 75.4 60.9 -63.8 -24.7 -14.8 4.2 6.2 40 49 A G T 3 0 0 83 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.396 360.0 360.0 -85.6 3.8 -17.5 5.6 4.0 41 50 A K < 0 0 110 -3,-1.9 -2,-0.2 0, 0.0 -1,-0.1 0.942 360.0 360.0 -83.0 360.0 -17.4 2.5 1.8 42 ! 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 43 57 A N 0 0 217 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.6 -11.7 -12.7 -4.3 44 58 A T - 0 0 85 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.727 360.0 -76.6-135.7 176.6 -8.1 -14.1 -4.1 45 59 A Q 0 0 193 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.282 360.0 360.0 -66.9 166.1 -5.9 -17.0 -2.9 46 60 A E 0 0 153 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.028 360.0 360.0-163.9 360.0 -5.1 -17.2 0.8 47 ! 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 48 66 A K 0 0 114 0, 0.0 2,-0.6 0, 0.0 144,-0.1 0.000 360.0 360.0 360.0 132.5 -0.8 -8.3 8.0 49 67 A S + 0 0 76 1,-0.1 174,-0.2 2,-0.0 173,-0.1 -0.777 360.0 164.8 -76.5 125.0 -3.3 -5.5 8.0 50 68 A L > + 0 0 6 172,-2.5 3,-1.5 -2,-0.6 4,-0.5 0.185 37.2 112.2-125.9 12.9 -1.1 -2.4 7.6 51 69 A T T 3 S+ 0 0 10 171,-0.6 -16,-1.5 1,-0.3 -17,-0.8 0.686 72.5 59.8 -67.1 -20.1 -3.9 0.1 6.7 52 70 A E T 3 S+ 0 0 99 1,-0.2 -1,-0.3 -18,-0.2 -2,-0.1 0.726 103.4 52.9 -74.1 -23.3 -3.5 2.1 10.0 53 71 A K S < S+ 0 0 18 -3,-1.5 148,-2.6 147,-0.1 2,-0.3 0.557 102.6 62.6 -96.3 -9.0 0.2 2.8 9.2 54 72 A V E -b 201 0B 0 -4,-0.5 -20,-2.6 -3,-0.3 2,-0.3 -0.846 53.0-171.5-122.5 153.7 -0.2 4.3 5.7 55 73 A S E -b 202 0B 0 146,-1.9 148,-3.1 -2,-0.3 2,-0.5 -0.988 16.5-145.7-137.7 147.2 -1.8 7.4 4.1 56 74 A L E +b 203 0B 8 -2,-0.3 2,-0.4 -24,-0.3 148,-0.2 -0.979 29.4 176.3-108.7 123.0 -2.4 8.5 0.5 57 75 A Y E -b 204 0B 48 146,-3.0 148,-2.1 -2,-0.5 2,-0.6 -0.992 20.9-153.0-134.1 129.9 -2.1 12.2 0.3 58 76 A R E +b 205 0B 118 -2,-0.4 2,-0.3 146,-0.2 148,-0.2 -0.909 54.1 55.8-105.4 118.8 -2.3 14.5 -2.7 59 77 A G S S- 0 0 19 146,-2.4 2,-0.5 -2,-0.6 -2,-0.1 -0.971 88.8 -24.3 161.3-169.1 -0.5 17.8 -2.5 60 78 A D > - 0 0 41 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.589 44.2-153.6 -73.7 118.0 2.7 19.8 -1.8 61 79 A I G > S+ 0 0 6 -2,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.776 88.3 69.4 -65.2 -25.9 5.0 17.8 0.4 62 80 A T G 3 S+ 0 0 3 1,-0.3 58,-0.3 57,-0.1 -1,-0.3 0.632 91.9 59.3 -72.8 -12.4 6.7 20.9 1.8 63 81 A L G < S+ 0 0 40 -3,-1.5 -37,-2.7 55,-0.1 -1,-0.3 0.629 80.2 112.0 -86.1 -15.4 3.5 21.8 3.7 64 82 A L E < -a 26 0A 0 -3,-1.4 2,-1.3 -4,-0.3 56,-0.2 -0.417 58.6-150.0 -72.5 126.3 3.5 18.6 5.7 65 83 A E E +a 27 0A 10 -39,-2.8 -37,-0.7 -2,-0.3 2,-0.3 -0.703 51.8 127.0 -91.8 84.1 4.2 18.8 9.4 66 84 A V S S- 0 0 7 -2,-1.3 55,-1.5 -39,-0.1 56,-0.2 -0.795 75.3-100.7-132.4 170.9 5.8 15.4 9.9 67 85 A D S S+ 0 0 51 94,-0.4 55,-1.8 -2,-0.3 2,-0.3 0.879 102.4 5.2 -66.0 -34.5 9.0 14.2 11.4 68 86 A A E -cd 122 162B 0 93,-1.5 95,-1.8 53,-0.2 2,-0.3 -0.992 55.5-160.3-151.3 139.0 10.6 13.8 7.9 69 87 A I E -cd 123 163B 0 53,-2.0 55,-2.8 -2,-0.3 2,-0.4 -0.903 25.7-129.6-110.0 152.5 9.9 14.5 4.3 70 88 A V E -c 124 0B 0 93,-2.2 2,-0.5 -2,-0.3 55,-0.2 -0.833 15.6-147.4-104.7 136.4 11.8 12.7 1.5 71 89 A N E -c 125 0B 0 53,-2.8 55,-2.4 -2,-0.4 2,-1.5 -0.893 13.1-139.2-105.5 130.9 13.5 14.5 -1.3 72 90 A A E +c 126 0B 28 -2,-0.5 12,-0.5 53,-0.2 55,-0.2 -0.686 49.8 170.9 -81.3 84.1 13.8 13.1 -4.8 73 91 A A E -c 127 0B 3 53,-2.4 55,-0.5 -2,-1.5 2,-0.3 -0.114 31.6-117.5 -92.5-177.8 17.3 14.6 -5.1 74 92 A N > - 0 0 38 53,-0.1 3,-1.7 5,-0.1 5,-0.1 -0.758 40.7 -91.3-114.8 173.3 20.2 14.3 -7.5 75 93 A A T 3 S+ 0 0 59 1,-0.3 30,-2.3 -2,-0.3 52,-0.1 0.744 123.9 54.0 -54.8 -30.1 23.7 12.9 -6.9 76 94 A S T 3 S- 0 0 51 28,-0.2 28,-0.5 3,-0.1 -1,-0.3 0.753 90.4-147.3 -75.7 -24.3 25.1 16.3 -5.9 77 95 A L < + 0 0 0 -3,-1.7 -2,-0.1 28,-0.1 3,-0.1 0.584 65.8 115.6 62.3 15.7 22.5 16.9 -3.2 78 96 A L S S- 0 0 78 1,-0.3 2,-0.2 21,-0.1 -1,-0.1 0.466 78.3-100.8 -96.7 0.8 22.7 20.6 -4.1 79 97 A G + 0 0 14 -5,-0.1 -1,-0.3 20,-0.1 2,-0.3 -0.609 44.9 169.6 114.6-174.8 19.1 21.1 -5.4 80 98 A G - 0 0 52 -2,-0.2 2,-0.1 2,-0.1 8,-0.1 -0.914 41.9 -41.2 166.7-136.8 17.4 21.4 -8.7 81 99 A G S >> S+ 0 0 49 -2,-0.3 4,-2.1 4,-0.1 3,-0.7 -0.275 92.4 32.7-110.2-164.8 13.9 21.4 -10.1 82 100 A G H 3> S- 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 -0.118 127.9 -16.6 53.7-141.7 10.7 19.5 -9.3 83 101 A V H 3> S+ 0 0 43 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.883 138.6 58.9 -67.0 -33.4 10.2 18.5 -5.7 84 102 A D H <> S+ 0 0 7 -3,-0.7 4,-2.6 -12,-0.5 -2,-0.2 0.945 107.1 47.0 -56.5 -51.2 13.9 19.1 -5.0 85 103 A G H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.900 112.4 50.2 -58.1 -42.1 13.6 22.7 -6.0 86 104 A C H X S+ 0 0 37 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.919 110.4 49.7 -61.9 -45.6 10.4 23.1 -3.9 87 105 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.933 111.9 47.7 -63.1 -45.2 12.0 21.6 -0.9 88 106 A H H X S+ 0 0 27 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.896 112.9 48.1 -63.8 -39.9 15.1 23.9 -1.1 89 107 A R H < S+ 0 0 177 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.938 115.5 44.7 -65.1 -43.5 13.0 27.0 -1.6 90 108 A A H < S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.815 114.5 48.4 -72.2 -29.6 10.7 26.1 1.3 91 109 A A H < S- 0 0 0 -4,-2.3 26,-2.3 -5,-0.2 3,-0.3 0.774 104.3-135.7 -81.9 -26.5 13.6 25.1 3.6 92 110 A G >X - 0 0 9 -4,-1.6 3,-1.8 -5,-0.2 4,-0.6 -0.193 39.5 -52.8 90.0 172.3 15.7 28.2 3.0 93 111 A P H 3> S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.636 122.0 74.0 -64.8 -18.7 19.5 28.5 2.4 94 112 A C H 3> S+ 0 0 31 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.794 91.0 60.1 -62.1 -27.0 20.5 26.6 5.4 95 113 A L H <> S+ 0 0 0 -3,-1.8 4,-2.5 -7,-0.2 -1,-0.2 0.953 105.7 45.3 -67.3 -47.1 19.4 23.4 3.6 96 114 A L H X S+ 0 0 42 -4,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.911 111.5 55.1 -58.4 -42.2 21.9 24.0 0.8 97 115 A A H < S+ 0 0 34 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.930 110.3 43.4 -59.3 -47.0 24.6 24.8 3.4 98 116 A E H >< S+ 0 0 7 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.917 113.2 53.0 -65.4 -39.2 24.1 21.5 5.2 99 117 A C H ><>S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.3 5,-0.5 0.855 100.8 61.2 -63.8 -34.2 24.0 19.6 1.9 100 118 A R T 3<5S+ 0 0 166 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.605 101.6 54.0 -66.7 -11.4 27.2 21.2 0.9 101 119 A N T < 5S+ 0 0 81 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.509 97.4 69.1 -95.8 -5.5 28.8 19.5 3.9 102 120 A L T < 5S- 0 0 39 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.1 0.566 89.1-134.6 -94.6 -15.7 27.5 16.0 2.8 103 121 A N T 5 - 0 0 152 -4,-0.4 -26,-0.1 -3,-0.1 -3,-0.1 0.823 54.6 -74.9 60.4 37.7 29.6 15.2 -0.4 104 122 A G < - 0 0 12 -5,-0.5 2,-0.3 -28,-0.5 -28,-0.2 -0.133 50.7 -98.8 81.8-173.0 26.7 14.0 -2.5 105 123 A C - 0 0 7 -30,-2.3 2,-0.1 4,-0.0 -28,-0.1 -0.983 22.2-123.3-154.8 139.2 24.7 10.8 -2.6 106 124 A D > - 0 0 104 -2,-0.3 3,-2.4 1,-0.1 21,-0.6 -0.473 45.0 -83.7 -82.4 155.1 24.7 7.5 -4.6 107 125 A T B 3 S+e 127 0B 67 1,-0.3 21,-0.2 -2,-0.1 -1,-0.1 -0.334 118.8 13.8 -55.2 128.2 21.8 6.2 -6.5 108 126 A G T 3 S+ 0 0 2 19,-2.8 41,-0.3 1,-0.3 -1,-0.3 0.500 108.2 105.0 80.4 2.4 19.6 4.2 -4.1 109 127 A H < - 0 0 93 -3,-2.4 18,-1.2 18,-0.2 -1,-0.3 -0.613 54.2-151.5-102.7 172.5 21.3 5.7 -1.0 110 128 A A E -F 126 0B 19 -2,-0.2 2,-0.3 16,-0.2 16,-0.2 -0.986 9.5-166.0-144.9 154.5 20.0 8.3 1.3 111 129 A K E -F 125 0B 70 14,-2.3 14,-3.3 -2,-0.3 2,-0.4 -0.980 17.7-135.4-137.6 148.9 21.3 11.1 3.6 112 130 A I E +F 124 0B 33 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.860 24.6 168.0-113.4 140.4 19.4 13.0 6.3 113 131 A T E -F 123 0B 0 10,-2.8 10,-2.3 -2,-0.4 2,-0.1 -0.886 42.0 -84.5-133.5 170.5 19.5 16.7 7.1 114 132 A C E -F 122 0B 2 -2,-0.3 8,-0.3 8,-0.2 7,-0.1 -0.402 31.2-136.0 -66.4 154.7 17.6 19.2 9.2 115 133 A G > - 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0 0 2 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.712 18.5-177.9 -84.6 128.5 11.3 9.3 13.0 160 178 A R + 0 0 30 -2,-0.4 39,-3.1 1,-0.2 40,-2.0 0.517 69.0 38.6-109.4 -8.8 7.6 8.3 13.5 161 179 A S E + g 0 200B 4 38,-0.2 -93,-1.5 37,-0.2 -94,-0.4 -0.981 65.7 169.5-140.9 131.3 6.0 10.0 10.5 162 180 A V E -dg 68 201B 0 38,-1.8 40,-3.2 -2,-0.4 2,-0.4 -0.998 17.8-152.6-141.9 142.5 7.5 10.3 7.1 163 181 A A E -dg 69 202B 0 -95,-1.8 -93,-2.2 -2,-0.3 40,-0.2 -0.964 8.6-160.4-117.3 136.9 6.2 11.4 3.6 164 182 A F E - g 0 203B 2 38,-2.7 40,-2.6 -2,-0.4 2,-0.1 -0.939 5.8-149.8-113.0 135.4 7.5 10.2 0.2 165 183 A P - 0 0 10 0, 0.0 2,-2.1 0, 0.0 40,-0.2 -0.395 47.9 -80.7 -84.6 175.9 7.1 11.9 -3.1 166 184 A C > - 0 0 23 38,-0.3 3,-1.9 -2,-0.1 4,-0.2 -0.478 58.9-149.8 -81.4 73.9 6.9 9.8 -6.3 167 185 A I T 3 + 0 0 1 -2,-2.1 16,-0.1 1,-0.2 -40,-0.1 -0.070 68.5 2.2 -50.8 135.2 10.7 9.4 -6.6 168 186 A S T 3 S+ 0 0 6 1,-0.1 6,-2.8 -40,-0.1 -37,-0.3 0.272 100.2 102.1 75.0 -7.3 12.1 9.1 -10.2 169 187 A T S < S+ 0 0 25 -3,-1.9 -2,-0.1 4,-0.2 7,-0.1 0.466 73.9 59.8 -91.3 -0.9 8.8 9.6 -12.0 170 188 A G S > S- 0 0 58 -4,-0.2 3,-1.9 6,-0.0 -3,-0.0 0.541 128.0 -20.0 -88.7-119.6 9.4 13.2 -12.9 171 189 A I T 3 S+ 0 0 168 1,-0.3 -2,-0.1 2,-0.1 -40,-0.0 0.762 130.5 70.1 -67.9 -19.3 12.4 14.2 -15.1 172 190 A Y T 3 S- 0 0 52 -42,-0.1 -41,-3.4 1,-0.1 -1,-0.3 0.576 100.2-139.6 -75.8 -6.2 14.1 10.9 -14.2 173 191 A G < + 0 0 40 -3,-1.9 -4,-0.2 1,-0.2 -40,-0.2 0.517 39.8 160.2 75.3 12.2 11.4 9.3 -16.3 174 192 A F - 0 0 1 -6,-2.8 -1,-0.2 -45,-0.2 -2,-0.1 -0.501 51.2-104.1 -69.7 130.3 10.5 6.1 -14.4 175 193 A P > - 0 0 56 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.289 29.0-128.2 -59.9 139.9 7.1 4.9 -15.6 176 194 A N H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 98.2 48.2 -63.9 -43.2 4.4 5.7 -13.1 177 195 A E H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 113.5 45.0 -67.6 -49.6 2.7 2.4 -12.5 178 196 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.866 112.7 53.6 -62.3 -32.4 5.8 0.2 -12.0 179 197 A A H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.910 108.4 49.2 -65.9 -41.1 7.2 2.9 -9.7 180 198 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.907 108.9 52.9 -64.0 -42.1 4.1 2.8 -7.6 181 199 A V H X S+ 0 0 49 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.927 112.1 45.9 -58.5 -43.3 4.3 -1.0 -7.4 182 200 A I H X S+ 0 0 21 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.931 113.3 48.2 -66.6 -46.0 7.9 -0.7 -6.2 183 201 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.931 116.5 42.8 -59.4 -48.4 7.1 2.0 -3.6 184 202 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.916 115.0 48.4 -67.3 -45.0 4.1 0.2 -2.2 185 203 A N H X S+ 0 0 55 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.926 112.3 49.5 -62.8 -42.8 5.7 -3.2 -2.1 186 204 A T H X S+ 0 0 10 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.924 113.5 44.9 -63.2 -44.6 8.9 -1.9 -0.5 187 205 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.912 112.8 52.5 -66.3 -41.0 6.9 -0.0 2.2 188 206 A K H X S+ 0 0 66 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.947 111.3 45.7 -57.7 -51.5 4.6 -3.1 2.8 189 207 A E H X S+ 0 0 109 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.870 113.8 49.1 -62.5 -37.9 7.6 -5.4 3.3 190 208 A W H >X S+ 0 0 35 -4,-2.0 4,-1.9 -5,-0.2 3,-0.9 0.907 109.9 51.8 -66.5 -41.8 9.3 -3.0 5.6 191 209 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.760 95.7 68.2 -69.1 -27.3 6.2 -2.5 7.7 192 210 A A H 3< S+ 0 0 50 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.9 26.3 -59.4 -31.3 5.7 -6.2 8.2 193 211 A K H << S+ 0 0 178 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.682 135.0 32.0-102.6 -25.1 8.8 -6.2 10.3 194 212 A N H >< S+ 0 0 29 -4,-1.9 3,-2.5 1,-0.1 4,-0.4 0.151 70.1 123.0-122.9 19.1 8.8 -2.5 11.5 195 213 A H G >< S+ 0 0 53 -4,-1.6 3,-0.9 1,-0.3 -1,-0.1 0.811 77.2 56.0 -61.1 -28.4 5.2 -1.4 11.9 196 214 A H G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.622 94.5 71.8 -72.9 -10.6 5.6 -0.5 15.6 197 215 A E G < S+ 0 0 74 -3,-2.5 2,-0.3 -6,-0.1 -1,-0.2 0.663 102.9 34.1 -80.4 -17.0 8.5 1.8 14.6 198 216 A V < - 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0 0 27 -3,-1.1 2,-0.1 -4,-0.5 -3,-0.0 -0.469 69.5-129.2 -83.0 145.8 -10.1 -0.7 18.7 237 22 B T > - 0 0 33 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.404 31.7-102.9 -81.4 167.0 -8.9 2.8 18.2 238 23 B L H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 123.0 52.9 -56.8 -41.9 -9.0 5.5 20.9 239 24 B E H > S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.914 112.1 44.7 -62.9 -42.0 -12.1 7.0 19.3 240 25 B E H 4 S+ 0 0 94 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.909 113.3 50.5 -68.2 -42.7 -13.9 3.7 19.4 241 26 B R H >X S+ 0 0 13 -4,-2.9 3,-1.4 1,-0.2 4,-0.5 0.891 104.1 58.9 -62.4 -40.4 -12.8 2.9 22.9 242 27 B R H >< S+ 0 0 81 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.833 96.6 61.0 -60.8 -34.8 -13.9 6.3 24.2 243 28 B K T 3< S+ 0 0 182 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.722 108.1 45.3 -65.0 -20.4 -17.5 5.6 23.1 244 29 B E T <4 S+ 0 0 96 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.464 81.5 124.5-102.8 -5.7 -17.6 2.6 25.4 245 30 B Y << - 0 0 38 -3,-0.9 94,-0.1 -4,-0.5 4,-0.1 -0.329 46.0-159.6 -58.0 138.0 -16.0 4.1 28.6 246 31 B L S S+ 0 0 119 92,-0.4 2,-0.2 65,-0.1 -1,-0.1 0.666 73.4 33.6 -87.0 -24.2 -18.1 3.8 31.7 247 32 B R S S- 0 0 118 91,-0.2 -2,-0.0 1,-0.1 64,-0.0 -0.766 95.1 -80.2-130.1 170.1 -16.3 6.6 33.5 248 33 B D - 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0 0 2 -6,-3.0 -1,-0.2 -45,-0.2 -2,-0.1 -0.567 51.4-105.4 -74.0 130.5 8.2 0.7 52.3 396 193 B P > - 0 0 51 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.308 27.2-127.5 -59.9 138.5 9.3 4.1 53.5 397 194 B N H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 100.1 46.2 -58.6 -48.0 8.1 6.8 51.1 398 195 B E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 113.9 45.7 -64.6 -50.9 11.4 8.7 50.5 399 196 B P H > S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.883 112.9 52.8 -61.5 -34.9 13.6 5.7 49.9 400 197 B A H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.914 107.7 50.6 -62.4 -43.3 11.0 4.2 47.6 401 198 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.897 107.8 53.4 -62.0 -41.3 10.8 7.4 45.6 402 199 B V H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.914 112.0 45.0 -58.4 -43.5 14.6 7.5 45.1 403 200 B I H X S+ 0 0 23 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.926 113.7 49.0 -70.3 -43.5 14.5 3.9 43.8 404 201 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.946 116.2 42.5 -58.9 -51.6 11.5 4.6 41.5 405 202 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.903 115.4 48.4 -65.2 -43.1 13.1 7.7 40.0 406 203 B N H X S+ 0 0 62 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.927 112.4 48.8 -63.1 -44.1 16.6 6.3 39.7 407 204 B T H X S+ 0 0 9 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.916 114.1 44.9 -64.8 -42.4 15.3 3.2 38.0 408 205 B I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.894 111.7 54.3 -67.1 -39.7 13.2 5.1 35.5 409 206 B K H X S+ 0 0 63 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.940 110.8 44.8 -57.1 -49.4 16.0 7.6 34.9 410 207 B E H X S+ 0 0 117 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.903 113.0 50.1 -67.1 -39.5 18.5 4.8 34.0 411 208 B W H X S+ 0 0 34 -4,-2.1 4,-2.8 -5,-0.2 3,-0.4 0.930 112.8 47.6 -62.7 -42.9 16.0 3.0 31.8 412 209 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.864 100.1 65.5 -68.1 -35.6 15.2 6.2 30.0 413 210 B A H < S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 119.1 26.1 -50.9 -40.4 18.9 7.1 29.5 414 211 B K H < S+ 0 0 170 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.791 136.2 30.0 -89.5 -34.1 19.0 4.0 27.3 415 212 B N H >< S+ 0 0 19 -4,-2.8 3,-2.7 -5,-0.2 4,-0.3 0.170 71.0 122.3-118.8 18.2 15.4 3.7 26.1 416 213 B H G >< S+ 0 0 34 -4,-2.1 3,-1.0 1,-0.3 -1,-0.1 0.779 75.2 59.2 -61.3 -25.2 13.9 7.2 25.9 417 214 B H G 3 S+ 0 0 91 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.578 94.0 69.8 -75.5 -4.9 13.0 7.0 22.2 418 215 B E G < S+ 0 0 70 -3,-2.7 2,-0.3 -6,-0.1 -1,-0.2 0.608 103.8 35.8 -88.0 -13.3 10.9 3.9 23.1 419 216 B V < - 0 0 0 -3,-1.0 -37,-0.2 -4,-0.3 -38,-0.1 -0.930 54.4-151.4-137.0 160.9 8.2 6.0 24.9 420 217 B D S S+ 0 0 73 -39,-3.0 2,-0.3 1,-0.3 -38,-0.2 0.737 85.1 2.5 -93.4 -35.8 6.4 9.3 24.9 421 218 B R E - n 0 382D 32 -40,-2.0 -38,-1.9 -164,-0.0 2,-0.5 -0.952 43.7-163.6-160.0 135.4 5.7 9.4 28.6 422 219 B I E -in 275 383D 0 -148,-2.5 -146,-1.9 -2,-0.3 2,-0.5 -0.990 27.7-157.2-110.2 121.9 6.3 7.7 32.0 423 220 B I E -in 276 384D 0 -40,-3.0 -38,-2.7 -2,-0.5 2,-0.9 -0.889 12.9-148.7-106.9 124.7 3.9 9.1 34.6 424 221 B F E -in 277 385D 2 -148,-2.9 -146,-2.7 -2,-0.5 2,-0.9 -0.851 19.4-161.8 -86.8 107.6 4.6 8.9 38.3 425 222 B C E -i 278 0D 7 -40,-2.9 -38,-0.3 -2,-0.9 2,-0.2 -0.834 11.1-176.5 -97.0 99.7 1.0 8.7 39.6 426 223 B V E -i 279 0D 1 -148,-2.2 -146,-2.2 -2,-0.9 3,-0.1 -0.618 13.5-177.3 -91.8 158.5 1.1 9.6 43.2 427 224 B F + 0 0 133 -2,-0.2 2,-0.2 -148,-0.2 -1,-0.1 0.697 61.0 63.2-121.4 -52.3 -2.0 9.4 45.4 428 225 B L S > S- 0 0 93 1,-0.1 4,-2.0 -148,-0.1 3,-0.2 -0.497 79.3-126.2 -80.0 148.9 -1.1 10.7 48.9 429 226 B E H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 109.5 62.1 -62.7 -36.5 -0.0 14.3 49.4 430 227 B V H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 107.4 43.4 -55.9 -44.3 3.1 13.0 51.2 431 228 B D H > S+ 0 0 5 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.861 110.4 55.8 -70.3 -35.6 4.2 11.2 48.0 432 229 B F H X S+ 0 0 66 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.957 109.6 46.5 -56.8 -48.7 3.3 14.2 45.9 433 230 B K H X S+ 0 0 126 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.925 113.7 48.6 -62.1 -44.0 5.5 16.4 48.0 434 231 B I H X S+ 0 0 28 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.923 114.7 43.1 -63.0 -47.8 8.4 13.9 47.9 435 232 B Y H X S+ 0 0 4 -4,-2.7 4,-1.7 1,-0.2 3,-0.2 0.908 110.1 56.5 -66.4 -39.9 8.3 13.4 44.1 436 233 B K H < S+ 0 0 120 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.898 108.5 48.9 -58.2 -41.6 7.9 17.2 43.4 437 234 B K H < S+ 0 0 160 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.836 116.5 40.9 -64.9 -36.5 11.1 17.8 45.4 438 235 B K H X S+ 0 0 13 -4,-1.4 4,-1.7 -3,-0.2 5,-0.2 0.613 87.3 89.4 -95.1 -13.6 13.1 15.2 43.6 439 236 B M H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.861 92.3 43.1 -56.0 -44.8 12.0 15.5 39.9 440 237 B N H > S+ 0 0 69 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.905 108.0 60.0 -68.9 -40.8 14.6 18.1 38.9 441 238 B E H 4 S+ 0 0 133 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 118.0 32.0 -51.1 -40.4 17.4 16.3 40.7 442 239 B F H < S+ 0 0 17 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.817 130.0 25.8 -89.9 -32.0 16.7 13.3 38.5 443 240 B F H < 0 0 1 -4,-2.5 -172,-1.8 -5,-0.2 -171,-0.6 0.678 360.0 360.0-116.7 -14.6 15.6 14.6 35.2 444 241 B S < 0 0 86 -4,-1.7 -173,-0.1 -5,-0.3 -185,-0.0 0.168 360.0 360.0 -89.7 360.0 16.8 18.1 34.3