==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-DEC-09 3L3L . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.H.PARK . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 16.3 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 . 1 0.3 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 . 38 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 0 1 1 1 1 0 2 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 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 PARALLEL BRIDGES PER LADDER . 4 0 3 0 1 0 0 1 2 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 1 1 0 0 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 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 1 A K 0 0 196 0, 0.0 125,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.9 -4.7 87.6 3.6 2 2 A S - 0 0 17 1,-0.1 7,-0.0 3,-0.0 124,-0.0 0.024 360.0-153.3 -43.2 142.6 -7.4 84.9 3.8 3 3 A K + 0 0 194 2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.451 66.3 107.4 -95.1 -5.3 -9.8 84.5 0.9 4 4 A L S S- 0 0 36 1,-0.1 2,-0.2 2,-0.1 137,-0.1 -0.149 80.4 -92.9 -68.4 167.7 -12.4 83.1 3.3 5 5 A P >> - 0 0 60 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.532 31.5-114.8 -82.5 148.6 -15.5 85.0 4.5 6 6 A K H 3> S+ 0 0 148 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.885 116.4 54.0 -49.2 -45.7 -15.4 87.1 7.6 7 7 A P H 3> S+ 0 0 35 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.870 112.9 43.1 -59.3 -39.2 -18.0 84.8 9.3 8 8 A V H X> S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 3,-0.9 0.948 114.7 48.4 -71.8 -50.0 -15.8 81.8 8.6 9 9 A Q H 3X S+ 0 0 36 -4,-2.9 4,-2.2 1,-0.3 3,-0.2 0.923 111.1 51.3 -54.4 -47.5 -12.6 83.5 9.6 10 10 A D H 3X S+ 0 0 58 -4,-3.2 4,-1.3 -5,-0.3 -1,-0.3 0.703 106.6 55.7 -63.1 -21.7 -14.2 84.7 12.8 11 11 A L H < S+ 0 0 37 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.938 111.2 42.6 -62.0 -54.9 -13.3 81.4 18.0 15 15 A I H 3< S+ 0 0 3 -4,-2.2 194,-0.4 1,-0.2 -1,-0.2 0.584 117.4 48.5 -73.1 -9.2 -12.5 77.7 18.1 16 16 A F T 3< S+ 0 0 11 -4,-1.0 2,-0.6 -3,-0.3 -1,-0.2 0.181 75.5 133.1-115.9 17.1 -8.7 78.3 18.3 17 17 A D <> - 0 0 71 -3,-1.2 4,-1.1 1,-0.2 -3,-0.1 -0.575 39.6-163.6 -73.5 115.0 -8.7 80.9 21.1 18 18 A V H >> S+ 0 0 53 -2,-0.6 4,-2.2 1,-0.2 3,-0.6 0.909 89.1 59.4 -63.4 -45.3 -6.1 79.9 23.6 19 19 A E H 3> S+ 0 0 106 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.900 101.8 54.9 -49.1 -45.8 -7.6 82.2 26.3 20 20 A S H 3> S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.865 107.1 51.4 -57.5 -37.1 -10.8 80.1 26.0 21 21 A M H <>S+ 0 0 1 -4,-1.4 3,-2.2 2,-0.2 5,-1.8 0.978 111.6 44.8 -75.0 -59.4 -9.3 75.1 32.7 26 26 A V H ><5S+ 0 0 84 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.851 109.4 59.0 -51.7 -38.2 -9.1 77.7 35.5 27 27 A E T 3<5S+ 0 0 128 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.771 101.6 55.0 -62.6 -24.7 -12.9 77.4 35.6 28 28 A Y T < 5S- 0 0 45 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.396 121.8-112.9 -86.7 0.7 -12.3 73.7 36.4 29 29 A E T < 5 + 0 0 109 -3,-2.0 53,-2.3 1,-0.3 2,-0.3 0.619 64.2 157.5 75.3 14.2 -10.0 74.9 39.3 30 30 A I B < -A 81 0A 6 -5,-1.8 2,-0.8 51,-0.2 51,-0.3 -0.568 47.0-121.8 -74.5 128.6 -7.1 73.4 37.4 31 31 A D > - 0 0 21 49,-2.2 4,-2.8 -2,-0.3 3,-0.3 -0.600 21.0-166.1 -74.0 108.5 -3.7 75.0 38.4 32 32 A L T 4 S+ 0 0 43 -2,-0.8 -1,-0.2 1,-0.2 5,-0.1 0.600 86.9 58.1 -71.6 -11.0 -2.3 76.5 35.2 33 33 A Q T 4 S+ 0 0 181 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.838 116.3 32.4 -84.5 -37.1 1.1 76.8 36.9 34 34 A K T 4 S+ 0 0 118 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.772 136.0 27.6 -86.4 -34.4 1.4 73.1 37.7 35 35 A M S < S- 0 0 15 -4,-2.8 -1,-0.2 45,-0.2 -2,-0.2 -0.560 78.0-178.9-131.2 70.7 -0.5 72.0 34.6 36 36 A P >> - 0 0 56 0, 0.0 3,-1.2 0, 0.0 4,-0.7 -0.239 44.2-100.3 -64.7 161.3 -0.1 74.6 31.8 37 37 A L G >4 S+ 0 0 14 1,-0.3 3,-2.0 2,-0.2 77,-0.1 0.908 121.8 54.2 -46.1 -56.2 -1.9 73.9 28.5 38 38 A G G 34 S+ 0 0 53 1,-0.3 -1,-0.3 76,-0.0 -3,-0.0 0.768 100.0 62.7 -52.7 -30.0 1.2 72.6 26.7 39 39 A K G <4 S+ 0 0 140 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.719 77.3 114.8 -71.5 -21.1 1.7 70.1 29.5 40 40 A L << - 0 0 16 -3,-2.0 2,-0.3 -4,-0.7 -3,-0.0 -0.181 46.8-171.7 -52.6 137.2 -1.6 68.3 28.7 41 41 A S > - 0 0 37 1,-0.1 4,-1.7 2,-0.0 5,-0.1 -0.979 32.8-138.1-137.8 148.5 -1.2 64.8 27.5 42 42 A K H > S+ 0 0 72 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.946 108.9 49.8 -66.5 -49.3 -3.5 62.1 26.0 43 43 A R H > S+ 0 0 157 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 109.7 52.8 -53.8 -47.5 -1.9 59.3 28.1 44 44 A Q H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 109.4 48.5 -56.5 -41.4 -2.4 61.4 31.2 45 45 A I H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.837 109.9 52.4 -70.0 -31.7 -6.0 61.9 30.4 46 46 A Q H X S+ 0 0 85 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.953 108.7 49.5 -65.3 -52.7 -6.4 58.1 29.8 47 47 A A H X S+ 0 0 41 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.886 109.6 52.5 -53.7 -42.8 -4.9 57.3 33.2 48 48 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.888 106.6 52.0 -63.0 -40.9 -7.2 59.8 34.8 49 49 A Y H X S+ 0 0 7 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.919 108.9 52.4 -58.6 -46.0 -10.2 58.2 33.3 50 50 A S H X S+ 0 0 41 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.892 107.6 50.1 -58.4 -43.8 -9.0 54.9 34.7 51 51 A I H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.932 109.2 52.2 -61.2 -45.2 -8.7 56.3 38.2 52 52 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.877 108.0 51.5 -60.0 -38.1 -12.2 57.6 37.9 53 53 A S H X S+ 0 0 20 -4,-2.1 4,-2.5 169,-0.3 -1,-0.2 0.856 107.1 53.4 -66.4 -36.1 -13.5 54.2 36.9 54 54 A E H X S+ 0 0 74 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.873 108.1 51.5 -66.0 -35.5 -11.7 52.7 39.9 55 55 A V H X S+ 0 0 0 -4,-2.0 4,-4.1 2,-0.2 5,-0.2 0.919 107.7 51.2 -67.1 -44.1 -13.6 55.2 42.1 56 56 A Q H X S+ 0 0 34 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.984 113.6 44.5 -54.9 -56.6 -16.9 54.2 40.6 57 57 A Q H X S+ 0 0 132 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.878 115.6 48.0 -53.6 -43.6 -16.2 50.6 41.3 58 58 A A H X>S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 5,-2.2 0.946 113.7 47.1 -62.8 -48.3 -14.9 51.5 44.8 59 59 A V H <5S+ 0 0 39 -4,-4.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 114.3 47.5 -59.5 -42.9 -18.1 53.7 45.3 60 60 A S H <5S+ 0 0 83 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.831 115.4 44.6 -69.2 -35.7 -20.3 50.9 44.0 61 61 A Q H <5S- 0 0 171 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.891 113.2-115.6 -75.1 -41.9 -18.6 48.2 46.2 62 62 A G T <5 - 0 0 54 -4,-2.9 -3,-0.2 -5,-0.2 -4,-0.1 0.797 33.7-151.4 101.6 52.1 -18.5 50.3 49.3 63 63 A S < - 0 0 27 -5,-2.2 2,-2.3 -8,-0.2 3,-0.1 -0.262 21.0-114.8 -56.2 137.3 -14.8 50.7 49.7 64 64 A S - 0 0 117 1,-0.1 3,-0.3 3,-0.0 -1,-0.1 -0.418 53.3-101.5 -78.0 67.5 -13.7 51.1 53.3 65 65 A D S S+ 0 0 116 -2,-2.3 2,-5.3 1,-0.2 -1,-0.1 0.321 106.1 65.0 39.4-175.6 -12.3 54.7 52.9 66 66 A S S > S+ 0 0 85 1,-0.3 4,-4.2 -3,-0.1 -1,-0.2 -0.132 103.6 60.0 64.1 -52.7 -8.6 55.4 52.6 67 67 A Q H > S+ 0 0 87 -2,-5.3 4,-1.1 -3,-0.3 -1,-0.3 0.810 106.2 45.5 -70.9 -29.7 -8.9 53.4 49.4 68 68 A I H > S+ 0 0 14 2,-0.2 4,-0.9 3,-0.1 23,-0.3 0.700 116.4 47.6 -82.1 -21.9 -11.4 56.1 48.3 69 69 A L H > S+ 0 0 79 2,-0.2 4,-2.8 3,-0.1 -2,-0.2 0.894 109.4 50.3 -82.9 -45.3 -8.9 58.6 49.7 70 70 A D H X S+ 0 0 69 -4,-4.2 4,-1.9 1,-0.2 -2,-0.2 0.824 111.5 50.0 -62.9 -32.0 -5.9 57.1 47.9 71 71 A L H X S+ 0 0 5 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.864 109.8 51.3 -74.2 -35.6 -7.8 57.1 44.7 72 72 A S H X S+ 0 0 2 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.944 110.1 47.7 -66.0 -46.9 -8.7 60.8 45.3 73 73 A N H X S+ 0 0 84 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.923 110.2 55.0 -57.1 -46.3 -5.1 61.7 45.9 74 74 A R H X S+ 0 0 113 -4,-1.9 4,-1.8 1,-0.2 3,-0.4 0.894 108.2 46.6 -55.4 -46.0 -4.2 59.8 42.7 75 75 A F H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.909 112.9 48.8 -65.3 -42.1 -6.6 61.7 40.5 76 76 A Y H < S+ 0 0 24 -4,-2.2 5,-0.4 2,-0.2 -1,-0.2 0.607 107.9 56.0 -75.3 -9.8 -5.5 65.1 41.9 77 77 A T H < S+ 0 0 109 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.876 112.9 41.0 -84.4 -39.5 -1.8 64.1 41.4 78 78 A L H < S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.893 124.3 39.1 -70.2 -44.8 -2.6 63.4 37.7 79 79 A I S < S- 0 0 3 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.3 -0.874 87.7-145.1-114.5 96.2 -4.8 66.5 37.4 80 80 A P + 0 0 18 0, 0.0 -49,-2.2 0, 0.0 2,-0.3 -0.468 24.0 178.8 -65.0 114.4 -3.2 69.4 39.4 81 81 A H B -A 30 0A 11 -2,-0.4 2,-0.5 -5,-0.4 -51,-0.2 -0.725 25.6-132.6-111.8 164.6 -5.9 71.6 41.0 82 82 A D + 0 0 88 -53,-2.3 3,-0.1 -2,-0.3 -50,-0.0 -0.935 40.6 147.3-123.2 106.1 -5.5 74.7 43.2 83 83 A F - 0 0 58 -2,-0.5 2,-2.1 1,-0.1 -1,-0.1 0.669 33.8-158.8-104.9 -29.0 -7.7 74.6 46.3 84 84 A G - 0 0 66 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.487 65.8 -5.2 82.1 -67.7 -5.3 76.5 48.6 85 85 A M S S+ 0 0 164 -2,-2.1 -3,-0.0 2,-0.1 0, 0.0 -0.851 104.6 62.7-146.3 179.6 -7.0 75.1 51.8 86 86 A K S S- 0 0 162 -2,-0.3 -2,-0.1 2,-0.0 -1,-0.1 0.287 102.4-102.8 78.9 -8.3 -9.9 73.0 53.0 87 87 A K - 0 0 157 2,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.362 48.4 -59.7 71.4 151.6 -8.3 70.1 51.1 88 88 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -15,-0.0 -0.203 65.1 -92.1 -61.8 152.5 -9.4 68.7 47.7 89 89 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.443 40.6-117.3 -68.9 138.0 -12.9 67.3 47.4 90 90 A L - 0 0 74 -2,-0.1 2,-1.4 -3,-0.1 -21,-0.1 -0.656 15.3-138.9 -79.2 124.9 -13.2 63.6 48.1 91 91 A L + 0 0 3 -2,-0.5 -20,-0.1 -23,-0.3 -19,-0.1 -0.690 55.5 133.3 -84.0 88.6 -14.4 61.6 45.0 92 92 A N + 0 0 81 -2,-1.4 2,-0.3 -34,-0.0 -1,-0.2 0.095 54.2 45.1-129.1 22.5 -16.7 59.3 46.9 93 93 A N S > S- 0 0 54 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.970 83.6-100.4-158.0 170.2 -20.0 59.3 44.9 94 94 A A H > S+ 0 0 40 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.940 117.1 57.1 -61.2 -48.1 -21.5 59.1 41.5 95 95 A D H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 107.8 47.6 -49.8 -48.2 -22.0 62.9 41.3 96 96 A S H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 113.3 44.0 -62.8 -50.4 -18.3 63.5 41.8 97 97 A V H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.820 111.4 58.0 -66.6 -27.7 -16.9 61.1 39.3 98 98 A Q H X S+ 0 0 64 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.929 111.1 39.3 -65.0 -49.6 -19.6 62.2 36.8 99 99 A A H X S+ 0 0 48 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.942 114.5 52.8 -67.7 -47.9 -18.4 65.8 36.9 100 100 A K H X S+ 0 0 33 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.806 111.1 49.5 -57.3 -30.8 -14.7 64.9 37.0 101 101 A A H X S+ 0 0 5 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.873 104.7 55.4 -77.6 -38.9 -15.3 62.8 33.9 102 102 A E H X S+ 0 0 110 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.864 108.5 51.5 -60.5 -35.8 -17.1 65.5 32.0 103 103 A M H X S+ 0 0 4 -4,-1.9 4,-3.7 2,-0.2 -1,-0.2 0.868 106.0 52.1 -68.8 -39.5 -14.1 67.7 32.6 104 104 A L H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.859 107.7 53.8 -66.1 -33.9 -11.7 65.1 31.3 105 105 A D H X S+ 0 0 54 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.956 114.1 41.3 -61.7 -51.1 -13.8 64.8 28.1 106 106 A N H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 3,-0.4 0.965 112.4 53.1 -61.5 -54.4 -13.5 68.6 27.7 107 107 A L H X S+ 0 0 2 -4,-3.7 4,-1.7 1,-0.2 -1,-0.2 0.823 105.9 57.6 -49.9 -35.8 -9.8 68.7 28.6 108 108 A L H X S+ 0 0 44 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.940 105.9 46.5 -61.8 -49.6 -9.2 66.0 26.0 109 109 A D H X S+ 0 0 13 -4,-1.6 4,-2.1 -3,-0.4 101,-0.2 0.818 109.5 56.2 -64.3 -30.7 -10.7 68.2 23.2 110 110 A I H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.873 106.7 48.7 -68.5 -38.6 -8.6 71.1 24.4 111 111 A E H X S+ 0 0 20 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.924 110.0 52.6 -65.7 -43.7 -5.4 69.1 24.0 112 112 A V H X S+ 0 0 6 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.916 115.1 41.6 -55.8 -46.0 -6.5 68.0 20.6 113 113 A A H X S+ 0 0 1 -4,-2.1 4,-3.6 93,-0.2 3,-0.3 0.898 116.5 45.5 -71.1 -45.9 -7.0 71.7 19.7 114 114 A Y H X S+ 0 0 46 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.869 110.9 54.9 -66.4 -35.4 -3.9 73.1 21.3 115 115 A S H < S+ 0 0 59 -4,-2.9 -1,-0.2 -5,-0.3 4,-0.2 0.750 115.1 41.0 -68.2 -23.5 -1.9 70.3 19.8 116 116 A L H >< S+ 0 0 43 -4,-0.7 3,-1.3 -3,-0.3 -2,-0.2 0.900 109.3 55.3 -87.2 -51.5 -3.2 71.4 16.5 117 117 A L H 3< S+ 0 0 38 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.594 119.3 37.9 -58.1 -9.0 -3.0 75.1 17.0 118 118 A R T 3< S+ 0 0 135 -4,-0.6 -1,-0.3 -5,-0.2 2,-0.2 0.471 103.4 84.4-120.4 -7.4 0.7 74.4 17.7 119 119 A G S < S+ 0 0 29 -3,-1.3 2,-0.1 -4,-0.2 -3,-0.0 -0.577 71.7 31.5 -96.7 160.3 1.5 71.7 15.2 120 120 A G S S- 0 0 65 -2,-0.2 2,-0.7 2,-0.0 11,-0.0 -0.254 105.5 -26.1 90.6-178.6 2.5 72.1 11.6 121 121 A S - 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