==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-MAY-12 4F0D . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 16; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,A.G.THORSELL,A.KALLAS,H.SCHULER,STRUCTURAL GENOMI . 405 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 58.0 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 . 65 16.0 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 . 1 0.2 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 . 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 . 26 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3 1 1 1 4 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 5 1 2 2 1 0 2 0 1 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 . 1 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 4 A M 0 0 135 0, 0.0 2,-0.1 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 -31.5 8.3 55.5 25.5 2 5 A G > - 0 0 38 1,-0.1 4,-1.6 82,-0.1 5,-0.1 -0.368 360.0-114.0 -87.7 166.7 7.1 54.8 29.1 3 6 A W H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.843 116.9 52.1 -68.5 -38.3 7.5 51.5 31.1 4 7 A A H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.831 111.4 46.8 -67.6 -35.6 3.8 50.9 31.1 5 8 A A H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.785 111.3 50.4 -76.6 -35.1 3.6 51.2 27.2 6 9 A A H X S+ 0 0 5 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.908 107.6 54.2 -68.9 -41.2 6.7 49.0 26.6 7 10 A R H X S+ 0 0 77 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.912 111.9 45.2 -59.0 -41.7 5.1 46.3 28.9 8 11 A E H X S+ 0 0 113 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.920 114.4 47.4 -67.1 -47.2 2.0 46.5 26.7 9 12 A A H X S+ 0 0 26 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.941 114.5 46.2 -60.4 -51.3 4.0 46.4 23.3 10 13 A A H < S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.800 111.9 54.4 -59.1 -35.7 6.3 43.5 24.5 11 14 A G H < S+ 0 0 46 -4,-1.6 3,-0.4 -5,-0.3 -1,-0.2 0.861 106.8 48.4 -68.0 -45.0 3.1 41.7 25.7 12 15 A R H < S+ 0 0 167 -4,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.971 132.5 11.6 -57.6 -56.5 1.2 41.9 22.3 13 16 A D X + 0 0 33 -4,-1.8 4,-2.1 1,-0.1 -1,-0.3 -0.851 62.4 171.7-135.2 94.5 4.2 40.6 20.3 14 17 A M H > S+ 0 0 37 -2,-0.4 4,-3.1 -3,-0.4 5,-0.2 0.924 84.3 52.1 -64.2 -50.9 7.1 39.1 22.2 15 18 A L H > S+ 0 0 55 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.911 111.1 47.1 -57.5 -44.7 8.9 37.9 19.1 16 19 A A H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 115.5 46.6 -61.7 -44.9 8.7 41.4 17.5 17 20 A A H X S+ 0 0 6 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.870 114.8 47.5 -61.2 -41.9 10.0 42.9 20.8 18 21 A D H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.888 107.3 55.3 -69.9 -42.7 12.7 40.3 21.0 19 22 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.947 109.1 48.2 -55.8 -45.7 13.8 40.8 17.4 20 23 A R H X S+ 0 0 18 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.876 113.2 47.1 -62.2 -38.3 14.3 44.5 18.2 21 24 A C H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.877 113.5 49.6 -69.5 -38.1 16.3 43.7 21.3 22 25 A S H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.910 111.1 47.1 -66.7 -47.0 18.4 41.1 19.3 23 26 A L H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 134,-0.4 0.847 112.9 50.5 -65.2 -35.7 19.1 43.6 16.4 24 27 A F H X S+ 0 0 2 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.927 111.5 47.9 -62.9 -50.1 20.1 46.2 19.0 25 28 A A H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.895 111.3 51.4 -59.2 -42.9 22.4 43.6 20.7 26 29 A S H X S+ 0 0 5 -4,-2.6 4,-1.6 2,-0.2 128,-0.2 0.947 113.7 42.7 -59.3 -50.9 23.9 42.7 17.3 27 30 A A H < S+ 0 0 0 -4,-2.2 10,-0.3 126,-0.2 -2,-0.2 0.851 115.9 49.4 -65.5 -37.8 24.7 46.4 16.4 28 31 A L H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 111.5 47.6 -70.3 -43.2 26.0 47.2 20.0 29 32 A Q H < S+ 0 0 77 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.791 91.2 104.4 -67.3 -33.4 28.4 44.1 20.1 30 33 A S S >< S- 0 0 16 -4,-1.6 3,-1.8 -5,-0.2 4,-0.1 -0.160 78.3-131.0 -53.6 143.8 29.8 44.8 16.6 31 34 A Y T 3 S+ 0 0 196 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.745 114.2 58.9 -65.0 -20.6 33.3 46.4 16.4 32 35 A K T >> + 0 0 59 1,-0.2 4,-2.8 2,-0.1 3,-1.9 0.174 67.9 125.9 -93.0 13.9 31.4 48.8 14.0 33 36 A R H <> + 0 0 66 -3,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.757 67.7 59.3 -44.0 -36.7 28.9 49.9 16.8 34 37 A D H 34 S+ 0 0 86 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.866 118.3 29.6 -63.5 -35.5 29.8 53.6 16.3 35 38 A S H <4 S+ 0 0 69 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.854 129.1 37.8 -94.1 -38.8 28.6 53.4 12.6 36 39 A V H < S+ 0 0 8 -4,-2.8 2,-2.2 -9,-0.2 122,-0.4 0.768 96.7 76.8 -91.2 -29.4 25.9 50.6 12.9 37 40 A L S < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.4 118,-0.1 -0.454 70.6 158.7 -84.1 68.7 24.3 51.5 16.3 38 41 A R + 0 0 116 -2,-2.2 123,-0.2 1,-0.2 124,-0.2 -0.989 56.7 48.4-131.5 114.4 22.4 54.4 14.8 39 42 A P S S- 0 0 42 0, 0.0 -1,-0.2 0, 0.0 123,-0.0 0.490 87.5-169.5 -76.6 149.2 19.9 55.3 16.3 40 43 A F - 0 0 31 -2,-0.1 2,-0.3 -6,-0.0 5,-0.1 -0.915 31.7-100.6-111.8 134.6 21.8 55.4 19.7 41 44 A P > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 14,-0.0 -0.425 26.8-146.0 -63.0 117.8 20.1 55.9 23.1 42 45 A A G > S+ 0 0 79 -2,-0.3 3,-1.9 1,-0.3 -2,-0.0 0.723 93.5 69.6 -53.3 -32.4 20.5 59.6 24.1 43 46 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 39,-0.0 39,-0.0 0.583 97.9 52.4 -64.7 -16.0 20.8 58.7 27.8 44 47 A Y G < S+ 0 0 25 -3,-2.0 7,-3.6 1,-0.0 2,-0.4 0.156 97.2 82.2-106.8 15.3 24.2 57.1 27.1 45 48 A A B < -A 50 0A 31 -3,-1.9 5,-0.2 5,-0.2 3,-0.1 -0.985 50.9-172.7-126.6 121.5 25.6 60.2 25.3 46 49 A R S S- 0 0 244 3,-1.7 -1,-0.2 -2,-0.4 4,-0.1 0.974 83.0 -37.7 -68.8 -73.1 27.2 63.2 27.1 47 50 A G S S- 0 0 56 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.381 121.1 -31.2-111.7-108.0 27.5 65.3 23.9 48 51 A D S S+ 0 0 166 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 0.350 114.5 113.5 -88.7 1.4 28.5 63.5 20.8 49 52 A C - 0 0 90 2,-0.0 -3,-1.7 1,-0.0 2,-0.5 -0.699 59.6-151.7 -83.7 113.5 30.4 61.2 23.2 50 53 A K B -A 45 0A 53 -2,-0.6 2,-1.8 -5,-0.2 -5,-0.2 -0.780 8.3-144.1 -91.6 119.1 28.8 57.7 23.2 51 54 A D > + 0 0 85 -7,-3.6 4,-1.9 -2,-0.5 5,-0.1 -0.581 33.6 162.7 -82.1 79.1 29.2 55.8 26.5 52 55 A F H > S+ 0 0 37 -2,-1.8 4,-3.2 2,-0.2 5,-0.3 0.885 71.7 53.5 -66.6 -40.2 29.6 52.4 24.8 53 56 A E H > S+ 0 0 167 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 111.2 46.8 -62.3 -40.5 31.1 50.7 28.0 54 57 A A H > S+ 0 0 29 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.901 115.6 46.7 -65.2 -39.4 28.1 51.9 30.0 55 58 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.978 112.3 47.4 -67.3 -56.4 25.7 50.6 27.3 56 59 A L H X S+ 0 0 60 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.897 113.1 52.6 -48.1 -46.9 27.4 47.2 26.8 57 60 A A H X S+ 0 0 38 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.919 114.0 39.5 -56.9 -50.8 27.3 46.9 30.6 58 61 A D H >< S+ 0 0 25 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.937 114.7 52.6 -71.6 -40.6 23.5 47.6 30.9 59 62 A A H >< S+ 0 0 12 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.847 106.4 54.4 -59.4 -38.8 22.6 45.6 27.8 60 63 A S H 3< S+ 0 0 68 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.674 104.2 55.9 -68.8 -22.2 24.6 42.5 29.3 61 64 A K T << S+ 0 0 162 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.337 81.2 116.3 -92.2 4.7 22.5 42.7 32.5 62 65 A L < - 0 0 8 -3,-1.3 3,-0.1 -4,-0.2 136,-0.1 -0.601 56.0-148.2 -74.7 128.2 19.1 42.5 30.5 63 66 A P - 0 0 27 0, 0.0 135,-0.1 0, 0.0 -2,-0.0 -0.241 37.4 -77.6 -80.1-179.4 17.1 39.3 31.4 64 67 A N > - 0 0 50 1,-0.1 4,-1.9 133,-0.1 3,-0.3 -0.358 49.1-105.1 -71.7 163.5 14.9 37.7 28.8 65 68 A L H > S+ 0 0 3 133,-0.4 4,-2.4 1,-0.2 5,-0.1 0.781 119.6 57.5 -66.8 -26.5 11.6 39.5 28.2 66 69 A K H > S+ 0 0 112 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.917 112.0 43.5 -66.3 -40.7 9.5 36.8 30.1 67 70 A E H 4 S+ 0 0 114 -3,-0.3 3,-0.3 2,-0.2 -2,-0.2 0.832 113.5 51.1 -69.4 -39.0 11.7 37.6 33.2 68 71 A L H >X S+ 0 0 3 -4,-1.9 3,-1.4 1,-0.2 4,-1.3 0.911 108.8 50.4 -66.9 -43.1 11.5 41.4 32.6 69 72 A L H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.623 107.7 55.1 -70.6 -16.4 7.7 41.3 32.3 70 73 A Q T 3< S+ 0 0 162 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.415 107.3 51.9 -92.1 -4.4 7.5 39.4 35.6 71 74 A S T <4 S- 0 0 34 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.871 72.9-164.6 -98.3 -49.0 9.6 42.1 37.4 72 75 A S < - 0 0 70 -4,-1.3 2,-0.2 4,-0.1 -3,-0.1 0.826 46.7-115.1 59.0 40.2 7.8 45.5 36.7 73 76 A G + 0 0 6 -5,-0.4 0, 0.0 3,-0.2 0, 0.0 -0.492 64.9 148.2 72.8-143.2 11.0 47.2 37.9 74 77 A D S S+ 0 0 126 -2,-0.2 3,-0.4 0, 0.0 -1,-0.1 -0.967 94.3 25.7-105.9 -3.0 11.6 49.0 40.2 75 78 A N S S+ 0 0 153 1,-0.2 3,-0.3 2,-0.1 -2,-0.0 0.531 117.8 68.0 -86.2 -14.3 15.2 48.2 41.0 76 79 A H > + 0 0 89 1,-0.2 4,-1.8 2,-0.1 -1,-0.2 -0.189 62.0 128.6-100.4 36.4 15.4 47.2 37.3 77 80 A K H > + 0 0 109 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.861 68.7 52.9 -60.5 -44.4 15.0 50.8 36.2 78 81 A R H > S+ 0 0 166 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.894 109.2 49.2 -62.3 -42.6 18.0 50.8 33.8 79 82 A A H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 114.2 44.9 -61.7 -47.7 16.7 47.6 32.0 80 83 A W H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.803 110.0 54.2 -68.1 -35.8 13.2 49.1 31.5 81 84 A D H X S+ 0 0 55 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.905 115.2 41.1 -65.3 -41.1 14.6 52.6 30.3 82 85 A L H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.926 117.0 45.3 -72.1 -51.7 16.7 50.8 27.6 83 86 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.924 112.6 52.6 -60.3 -42.8 14.0 48.2 26.5 84 87 A S H < S+ 0 0 4 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.891 112.3 47.0 -61.5 -34.6 11.4 51.1 26.5 85 88 A W H >< S+ 0 0 54 -4,-1.4 3,-1.2 2,-0.2 -2,-0.2 0.933 110.8 50.4 -69.4 -48.0 13.9 53.0 24.2 86 89 A I H 3< S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.913 111.5 49.2 -55.9 -44.9 14.5 50.0 21.9 87 90 A L T 3< S+ 0 0 21 -4,-2.5 -1,-0.2 -5,-0.1 2,-0.2 0.442 93.6 103.9 -77.7 -4.6 10.7 49.4 21.5 88 91 A S < + 0 0 29 -3,-1.2 2,-0.2 -4,-0.4 -3,-0.0 -0.550 33.0 137.2 -88.8 145.1 10.0 53.1 20.6 89 92 A S - 0 0 40 -2,-0.2 72,-0.0 2,-0.1 -3,-0.0 -0.778 32.4-168.6-177.1 139.7 9.2 54.6 17.2 90 93 A K S S+ 0 0 201 -2,-0.2 3,-0.1 38,-0.0 -2,-0.0 0.389 94.1 58.2-107.4 -5.6 6.7 57.2 15.8 91 94 A V S S- 0 0 81 1,-0.2 37,-2.8 36,-0.1 2,-0.3 0.883 116.4 -18.0 -90.5 -49.8 7.8 56.2 12.2 92 95 A L E -B 127 0B 3 35,-0.2 2,-0.3 -4,-0.0 -1,-0.2 -0.920 48.3-140.4-150.2 175.6 7.0 52.4 12.2 93 96 A T E -B 126 0B 35 33,-2.3 33,-2.8 -2,-0.3 2,-0.4 -0.943 16.9-132.9-138.3 158.8 6.3 49.1 14.1 94 97 A I E -B 125 0B 10 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.942 23.1-171.1-111.9 134.4 7.3 45.4 13.6 95 98 A H E -B 124 0B 69 29,-3.0 29,-2.8 -2,-0.4 2,-0.2 -0.964 25.7-111.2-123.6 145.8 4.7 42.6 13.8 96 99 A S E -B 123 0B 48 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.476 32.4-161.1 -72.1 143.6 5.0 38.8 13.8 97 100 A A - 0 0 22 25,-2.7 25,-0.5 1,-0.3 -1,-0.0 -0.743 14.5-119.6-118.1 163.8 3.8 37.0 10.8 98 101 A G - 0 0 41 -2,-0.3 -1,-0.3 23,-0.1 24,-0.2 0.503 29.1-106.2 -76.7-135.3 2.9 33.3 10.4 99 102 A K S > S+ 0 0 103 2,-0.1 4,-0.9 22,-0.1 3,-0.4 0.361 118.1 67.5-136.2 -18.3 4.6 30.8 8.0 100 103 A A H > S+ 0 0 75 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.539 94.9 67.5 -73.3 -8.1 1.6 30.7 5.6 101 104 A E H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.825 89.1 57.1 -78.8 -38.2 3.1 34.2 5.3 102 105 A F H > S+ 0 0 12 -3,-0.4 4,-3.0 1,-0.2 5,-0.2 0.900 103.1 56.2 -60.0 -37.5 6.2 32.8 3.7 103 106 A E H X S+ 0 0 123 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.878 107.3 49.0 -58.3 -41.0 3.9 31.3 1.0 104 107 A K H >X S+ 0 0 125 -4,-0.8 4,-2.3 2,-0.2 3,-0.6 0.949 112.1 46.5 -65.4 -48.5 2.5 34.9 0.4 105 108 A I H 3X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.3 -2,-0.2 0.900 112.5 51.1 -61.4 -42.4 6.1 36.4 0.1 106 109 A Q H 3< S+ 0 0 43 -4,-3.0 4,-0.4 2,-0.2 -1,-0.3 0.743 109.8 50.8 -65.9 -25.4 7.0 33.4 -2.3 107 110 A K H X< S+ 0 0 176 -4,-1.1 3,-0.7 -3,-0.6 -2,-0.2 0.949 110.9 47.6 -73.9 -48.0 3.9 34.3 -4.3 108 111 A L H 3< S+ 0 0 74 -4,-2.3 38,-0.6 1,-0.3 -2,-0.2 0.625 120.0 38.8 -64.8 -23.8 4.9 38.0 -4.6 109 112 A T T 3< S- 0 0 23 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.453 112.7-132.2-106.3 -7.6 8.5 37.1 -5.6 110 113 A G < - 0 0 31 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 -0.078 55.7 -3.9 79.9 179.0 7.3 34.2 -7.8 111 114 A A S S- 0 0 57 1,-0.2 3,-0.1 -4,-0.1 -4,-0.0 -0.084 73.6-117.5 -39.2 124.6 8.5 30.5 -8.1 112 115 A P - 0 0 39 0, 0.0 2,-2.9 0, 0.0 72,-0.3 0.617 36.3-169.2 -49.0 -16.7 11.6 30.0 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25 B S H X S+ 0 0 2 -4,-1.9 4,-1.9 -3,-0.2 -2,-0.2 0.865 114.0 43.8 -70.4 -41.9 13.9 12.1 -13.4 264 26 B L H X S+ 0 0 10 -4,-2.2 4,-2.9 2,-0.2 91,-0.3 0.808 112.9 52.0 -72.5 -37.3 17.5 13.0 -14.7 265 27 B F H X S+ 0 0 28 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.925 112.0 46.4 -61.2 -48.2 17.0 11.1 -18.0 266 28 B A H X S+ 0 0 20 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.942 115.5 46.9 -56.6 -50.2 13.7 13.0 -18.6 267 29 B S H X S+ 0 0 7 -4,-1.9 4,-0.6 1,-0.2 85,-0.2 0.847 114.9 44.9 -59.1 -47.2 15.5 16.3 -17.6 268 30 B A H < S+ 0 0 22 -4,-2.9 -1,-0.2 83,-0.2 -2,-0.2 0.837 115.7 48.2 -69.3 -36.9 18.6 15.5 -19.8 269 31 B L H < S+ 0 0 28 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.935 107.8 53.3 -66.5 -52.3 16.3 14.5 -22.8 270 32 B Q H < S+ 0 0 83 -4,-2.9 -1,-0.2 109,-0.2 -2,-0.2 0.649 94.2 101.7 -58.3 -20.0 14.0 17.6 -22.5 271 33 B S S < S- 0 0 28 -4,-0.6 3,-0.3 -3,-0.2 -3,-0.0 -0.179 71.9-140.5 -67.6 158.1 17.2 19.8 -22.8 272 34 B Y S S+ 0 0 232 1,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.557 96.3 71.6 -92.1 -12.8 18.4 21.6 -25.9 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