==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 15-JUL-08 3DTE . COMPND 2 MOLECULE: IRRE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS DESERTI; . AUTHOR A.VUJICIC-ZAGAR,R.DULERMO,M.LE GORREC,F.VANNIER,P.SERVANT, . 247 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 16.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 1 0 1 0 2 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 1 2 1 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 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 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 8 A P 0 0 155 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.2 48.5 -1.3 39.5 2 9 A T > - 0 0 95 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.130 360.0-110.4 -64.1 165.5 49.2 1.2 36.6 3 10 A A H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.909 119.5 51.1 -64.6 -42.5 51.2 0.1 33.5 4 11 A L H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.803 110.6 50.3 -66.0 -31.1 54.2 2.4 34.5 5 12 A A H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.882 109.8 48.2 -73.8 -41.7 54.2 0.8 38.0 6 13 A A H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.914 111.7 51.8 -62.9 -42.1 54.2 -2.8 36.7 7 14 A A H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.902 110.1 49.0 -58.7 -44.6 57.0 -1.8 34.4 8 15 A K H X S+ 0 0 60 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.871 109.8 50.5 -61.1 -40.5 59.0 -0.3 37.3 9 16 A A H X S+ 0 0 43 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.987 112.8 46.9 -64.3 -52.0 58.5 -3.4 39.4 10 17 A R H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.903 111.0 51.6 -53.5 -46.6 59.7 -5.5 36.6 11 18 A X H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.906 108.5 51.6 -58.7 -40.4 62.7 -3.2 36.0 12 19 A R H X S+ 0 0 92 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.874 110.4 49.9 -65.4 -34.0 63.5 -3.5 39.7 13 20 A E H X S+ 0 0 108 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 110.2 48.3 -68.5 -48.6 63.4 -7.2 39.3 14 21 A L H X S+ 0 0 25 -4,-2.8 4,-2.2 1,-0.2 3,-0.4 0.968 113.3 47.6 -52.3 -57.7 65.7 -7.3 36.3 15 22 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.780 110.6 53.6 -53.7 -32.1 68.2 -5.1 37.9 16 23 A A H X S+ 0 0 46 -4,-1.3 4,-3.0 -5,-0.2 -1,-0.2 0.862 108.5 47.9 -74.6 -36.0 68.1 -7.2 41.1 17 24 A S H X S+ 0 0 80 -4,-2.0 4,-1.9 -3,-0.4 -2,-0.2 0.956 115.3 43.5 -68.1 -50.7 68.8 -10.5 39.3 18 25 A Y H < S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 118.8 46.6 -61.3 -41.2 71.7 -9.1 37.4 19 26 A G H >< S+ 0 0 1 -4,-1.6 3,-2.0 -5,-0.3 5,-0.3 0.899 108.3 53.6 -66.6 -42.1 72.8 -7.4 40.6 20 27 A A H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 100.5 63.5 -68.8 -24.9 72.4 -10.5 42.7 21 28 A G T 3< S+ 0 0 69 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.524 95.3 82.0 -73.7 -5.5 74.6 -12.4 40.3 22 29 A L S < S- 0 0 24 -3,-2.0 2,-1.2 -4,-0.1 3,-0.1 -0.613 85.9-116.4-100.4 164.4 77.6 -10.1 41.1 23 30 A P S S- 0 0 103 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.569 88.7 -44.8 -85.3 62.5 80.2 -9.9 43.9 24 31 A G S S- 0 0 38 -2,-1.2 -2,-0.0 -5,-0.3 -3,-0.0 -0.418 70.2 -83.2 97.6-177.3 78.9 -6.6 45.2 25 32 A R S S+ 0 0 40 -2,-0.1 -1,-0.1 92,-0.1 5,-0.0 0.077 74.0 133.9-120.5 21.7 77.9 -3.4 43.3 26 33 A D > - 0 0 82 -3,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.225 69.1-105.1 -65.5 165.4 81.3 -1.8 42.8 27 34 A T H >> S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.959 117.2 47.2 -59.8 -55.7 82.0 -0.4 39.3 28 35 A H H 3> S+ 0 0 133 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.764 111.4 54.1 -59.9 -28.1 84.4 -3.1 38.1 29 36 A S H 3> S+ 0 0 8 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.885 103.6 53.5 -75.3 -37.7 82.0 -5.7 39.3 30 37 A L H << S+ 0 0 0 -4,-1.9 3,-0.4 -3,-0.6 4,-0.3 0.881 108.2 52.9 -61.4 -39.4 79.0 -4.3 37.4 31 38 A X H >< S+ 0 0 50 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.813 101.6 60.2 -60.5 -34.3 81.2 -4.5 34.3 32 39 A H H 3< S+ 0 0 153 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.779 91.6 64.4 -73.9 -28.7 81.9 -8.1 34.8 33 40 A G T 3< S+ 0 0 24 -4,-1.0 2,-0.9 -3,-0.4 -1,-0.3 0.695 72.7 116.2 -63.3 -17.9 78.3 -9.2 34.7 34 41 A L < - 0 0 27 -3,-1.1 2,-1.3 -4,-0.3 3,-0.5 -0.380 63.9-148.0 -62.0 100.1 78.4 -8.1 31.1 35 42 A D S S- 0 0 156 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.1 -0.577 70.9 -36.8 -76.1 92.8 77.8 -11.4 29.4 36 43 A G S S+ 0 0 70 -2,-1.3 2,-0.3 1,-0.2 -1,-0.3 0.970 101.4 129.6 48.1 77.5 79.8 -11.0 26.2 37 44 A I - 0 0 40 -3,-0.5 20,-0.2 21,-0.0 2,-0.2 -0.915 56.8-121.6-155.1 129.3 79.1 -7.3 25.5 38 45 A T E -a 57 0A 85 18,-2.9 20,-2.7 -2,-0.3 2,-0.4 -0.530 23.0-161.3 -76.8 153.0 81.9 -4.9 24.8 39 46 A L E -a 58 0A 39 18,-0.2 2,-0.4 -2,-0.2 20,-0.2 -0.989 8.8-175.0-136.7 126.1 82.4 -1.8 27.0 40 47 A T E -a 59 0A 50 18,-2.6 20,-2.6 -2,-0.4 2,-0.5 -0.956 17.3-156.7-131.5 136.3 84.3 1.2 26.0 41 48 A F E +a 60 0A 87 -2,-0.4 20,-0.2 18,-0.2 18,-0.1 -0.959 38.6 134.8-111.5 121.3 85.4 4.4 27.7 42 49 A X E -a 61 0A 70 18,-1.8 20,-2.7 -2,-0.5 21,-0.4 -0.961 59.6 -76.4-157.7 164.1 86.1 7.2 25.3 43 50 A P + 0 0 92 0, 0.0 18,-0.1 0, 0.0 17,-0.0 -0.518 43.3 167.7 -72.3 136.4 85.4 11.0 24.9 44 51 A X > - 0 0 30 1,-0.3 3,-1.6 -2,-0.2 17,-0.1 -0.035 36.3-131.4-142.4 29.7 81.9 11.7 23.6 45 52 A G T 3 S- 0 0 37 1,-0.3 -1,-0.3 3,-0.1 18,-0.1 -0.276 80.1 -12.1 54.5-119.5 81.5 15.4 24.1 46 53 A Q T 3 S+ 0 0 181 -2,-0.1 -1,-0.3 18,-0.0 2,-0.2 0.658 111.4 98.5 -93.0 -14.2 78.2 16.2 25.9 47 54 A R < - 0 0 156 -3,-1.6 -3,-0.2 1,-0.1 3,-0.1 -0.527 60.2-155.0 -72.5 135.3 76.7 12.8 25.6 48 55 A D - 0 0 76 1,-0.3 13,-3.7 -2,-0.2 2,-0.3 0.909 61.3 -39.1 -80.1 -43.5 77.1 10.7 28.8 49 56 A G E -B 60 0A 12 11,-0.3 2,-0.3 -5,-0.1 -1,-0.3 -0.969 50.9-151.6-174.2 164.3 76.9 7.2 27.4 50 57 A A E -B 59 0A 10 9,-2.0 9,-3.6 -2,-0.3 2,-0.5 -0.986 10.3-140.8-147.3 153.9 75.1 5.0 24.8 51 58 A Y E -B 58 0A 37 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.988 11.6-167.9-117.3 127.1 74.1 1.4 24.3 52 59 A D E >> -B 57 0A 54 5,-3.0 5,-1.8 -2,-0.5 4,-1.0 -0.867 4.3-177.2-113.5 94.4 74.4 -0.1 20.8 53 60 A P T >45S+ 0 0 58 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.894 80.2 58.1 -63.1 -37.9 72.6 -3.4 20.7 54 61 A E T 345S+ 0 0 169 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.915 117.1 34.3 -59.5 -40.4 73.5 -4.3 17.1 55 62 A H T 345S- 0 0 126 -3,-0.2 -1,-0.3 2,-0.2 -17,-0.2 0.499 107.0-128.8 -89.1 -6.4 77.2 -4.0 17.9 56 63 A H T <<5 + 0 0 111 -4,-1.0 -18,-2.9 -3,-0.5 2,-0.4 0.906 64.0 128.1 59.9 45.9 76.7 -5.4 21.5 57 64 A V E < -aB 38 52A 20 -5,-1.8 -5,-3.0 -20,-0.2 2,-0.4 -0.987 50.1-151.6-137.4 144.1 78.6 -2.5 23.1 58 65 A I E -aB 39 51A 0 -20,-2.7 -18,-2.6 -2,-0.4 2,-0.4 -0.930 16.7-155.3-109.8 136.2 78.1 0.0 25.8 59 66 A L E -aB 40 50A 36 -9,-3.6 -9,-2.0 -2,-0.4 2,-0.5 -0.935 6.9-168.8-115.7 133.2 79.8 3.4 25.5 60 67 A I E -aB 41 49A 0 -20,-2.6 -18,-1.8 -2,-0.4 2,-0.4 -0.979 29.3-117.5-122.4 129.9 80.6 5.6 28.5 61 68 A N E > -a 42 0A 2 -13,-3.7 3,-1.0 -2,-0.5 11,-0.1 -0.488 20.5-160.4 -65.8 118.0 81.8 9.2 28.1 62 69 A S T 3 S+ 0 0 50 -20,-2.7 -1,-0.2 -2,-0.4 -21,-0.1 0.567 82.2 70.7 -78.6 -5.5 85.3 9.2 29.6 63 70 A Q T 3 S+ 0 0 124 -21,-0.4 -1,-0.2 -18,-0.1 2,-0.2 0.560 81.5 84.3 -88.8 -10.6 85.1 13.0 30.0 64 71 A V S < S- 0 0 31 -3,-1.0 5,-0.1 -16,-0.2 -18,-0.0 -0.573 92.2 -84.7 -94.9 162.8 82.5 13.1 32.9 65 72 A R > - 0 0 139 -2,-0.2 4,-1.9 1,-0.1 3,-0.5 -0.135 41.9-110.1 -60.8 154.0 83.2 12.7 36.6 66 73 A P H > S+ 0 0 105 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.825 114.4 59.8 -60.6 -34.4 83.5 9.1 38.0 67 74 A E H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 80,-0.1 0.896 110.1 40.9 -58.3 -45.7 80.2 9.3 40.0 68 75 A R H > S+ 0 0 128 -3,-0.5 4,-4.2 2,-0.2 5,-0.2 0.812 112.4 56.0 -74.7 -32.0 78.2 10.0 36.8 69 76 A Q H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.906 107.1 49.1 -62.4 -44.5 80.1 7.4 34.8 70 77 A R H X S+ 0 0 12 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.918 116.8 43.8 -61.4 -42.1 79.2 4.8 37.5 71 78 A F H X S+ 0 0 61 -4,-1.6 4,-2.4 2,-0.2 3,-0.2 0.978 110.3 52.1 -66.4 -55.5 75.6 6.0 37.1 72 79 A T H X S+ 0 0 12 -4,-4.2 4,-2.4 1,-0.2 5,-0.2 0.875 110.9 51.9 -47.0 -40.3 75.6 6.2 33.3 73 80 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.912 107.6 48.2 -66.0 -42.3 77.0 2.6 33.3 74 81 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.2 -1,-0.2 0.876 112.7 53.6 -64.5 -32.8 74.2 1.2 35.6 75 82 A H H X S+ 0 0 19 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 109.2 44.0 -67.0 -48.7 71.8 3.0 33.3 76 83 A E H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.832 111.4 55.5 -67.5 -32.1 73.1 1.4 30.1 77 84 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.940 109.3 46.7 -64.8 -44.8 73.2 -1.9 31.8 78 85 A S H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.928 108.8 55.5 -55.8 -49.4 69.5 -1.4 32.7 79 86 A H H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.911 109.5 46.4 -50.9 -47.4 68.8 -0.4 29.1 80 87 A A H X S+ 0 0 17 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.883 112.2 50.9 -63.1 -44.2 70.3 -3.7 27.8 81 88 A L H X S+ 0 0 40 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.902 113.1 45.8 -57.9 -45.0 68.3 -5.7 30.4 82 89 A L H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 7,-0.4 0.942 113.2 47.7 -66.3 -48.8 65.1 -3.9 29.3 83 90 A L H 3< S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.666 109.3 56.4 -66.0 -18.7 65.8 -4.4 25.6 84 91 A G H 3< S+ 0 0 57 -4,-1.1 2,-0.7 -5,-0.2 -1,-0.3 0.603 92.0 81.8 -87.1 -12.4 66.6 -8.0 26.3 85 92 A D S+ 0 0 121 -2,-0.7 4,-2.3 2,-0.2 5,-0.2 0.865 81.7 53.0 -78.0 -39.2 60.5 -9.3 25.4 87 94 A D H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 114.7 43.8 -56.1 -44.1 57.5 -9.4 27.7 88 95 A L H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.963 114.4 48.1 -66.9 -53.2 58.5 -6.0 29.2 89 96 A L H X S+ 0 0 31 -4,-2.1 4,-1.9 -7,-0.4 -1,-0.2 0.834 112.6 49.1 -57.3 -40.5 59.3 -4.4 25.8 90 97 A S H X S+ 0 0 61 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.908 108.1 51.9 -69.4 -44.3 56.1 -5.6 24.2 91 98 A D H X S+ 0 0 94 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.809 108.1 54.6 -62.1 -28.4 53.8 -4.4 27.1 92 99 A L H >X S+ 0 0 6 -4,-1.6 4,-2.5 2,-0.2 3,-0.7 0.947 107.5 48.1 -68.9 -49.1 55.5 -1.0 26.7 93 100 A H H 3< S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.827 106.2 58.9 -55.0 -37.3 54.6 -0.9 23.0 94 101 A D H 3< S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 119.5 29.5 -60.8 -32.3 51.0 -1.9 24.0 95 102 A E H << S+ 0 0 120 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.2 0.630 125.7 21.6-103.7 -20.1 50.9 1.3 26.1 96 103 A Y < + 0 0 35 -4,-2.5 2,-0.3 -5,-0.1 -1,-0.1 -0.894 52.0 170.0-144.6 171.8 53.2 3.8 24.4 97 104 A E >> + 0 0 152 -2,-0.3 4,-1.2 -3,-0.0 3,-1.0 -0.964 49.3 23.8-169.8 179.7 55.0 4.9 21.2 98 105 A G H >> S- 0 0 47 -2,-0.3 4,-1.2 1,-0.2 3,-0.8 -0.167 124.3 -21.4 49.6-144.4 57.0 7.6 19.5 99 106 A D H 3> S+ 0 0 141 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.710 135.2 66.4 -67.4 -27.5 58.8 9.9 21.9 100 107 A R H <> S+ 0 0 179 -3,-1.0 4,-2.2 2,-0.2 -1,-0.3 0.876 102.7 48.2 -60.4 -37.1 56.5 9.0 24.7 101 108 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.2 3,-0.5 0.981 108.8 49.1 -55.7 -55.8 70.2 2.1 37.8 114 121 A A H 3X S+ 0 0 32 -4,-2.2 4,-3.1 1,-0.3 -1,-0.2 0.900 109.3 51.1 -47.7 -51.6 69.1 3.0 41.3 115 122 A A H 3< S+ 0 0 22 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.848 114.3 46.5 -59.2 -34.6 68.1 -0.6 42.1 116 123 A L H << S+ 0 0 0 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.871 117.8 39.0 -75.1 -41.6 71.5 -1.7 40.8 117 124 A L H < S+ 0 0 5 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.874 128.0 33.9 -75.8 -32.9 73.6 0.9 42.7 118 125 A X S < S- 0 0 6 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.1 -0.764 81.0-159.1-130.5 84.1 71.5 0.7 45.8 119 126 A P >> - 0 0 14 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.272 29.0-116.8 -64.3 146.6 70.0 -2.7 46.5 120 127 A A H 3> S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.745 114.5 55.8 -52.2 -27.1 67.0 -3.1 48.8 121 128 A E H 3> S+ 0 0 123 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.855 104.7 48.5 -78.9 -37.4 69.2 -5.1 51.2 122 129 A L H <> S+ 0 0 43 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.826 113.8 48.5 -69.2 -35.7 71.9 -2.5 51.7 123 130 A I H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.952 113.2 46.3 -69.3 -51.0 69.3 0.2 52.4 124 131 A D H X S+ 0 0 60 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.911 109.6 54.1 -59.4 -42.3 67.5 -2.0 54.8 125 132 A D H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.916 111.7 46.4 -58.6 -38.9 70.7 -2.9 56.6 126 133 A L H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.5 0.903 109.5 52.7 -70.1 -38.4 71.4 0.8 57.0 127 134 A L H X S+ 0 0 31 -4,-2.7 4,-1.5 3,-0.2 -2,-0.2 0.870 112.2 47.8 -63.3 -37.3 67.9 1.6 58.2 128 135 A T H < S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.950 119.6 35.8 -65.5 -55.6 68.3 -1.1 60.8 129 136 A R H < S+ 0 0 172 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.898 135.8 20.5 -69.6 -41.0 71.7 0.0 62.0 130 137 A F H < S- 0 0 50 -4,-3.2 6,-0.3 -5,-0.2 -3,-0.2 0.554 96.2-136.4-109.4 -6.2 71.3 3.7 61.7 131 138 A G < - 0 0 19 -4,-1.5 2,-2.1 -5,-0.5 5,-0.2 -0.071 55.3 -45.4 70.7 174.1 67.5 4.3 61.7 132 139 A P S S+ 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.472 100.9 129.4 -75.8 75.0 65.9 6.7 59.2 133 140 A T S > S- 0 0 22 -2,-2.1 4,-2.3 1,-0.1 5,-0.2 -0.762 79.3-104.5-131.0 164.1 68.4 9.5 59.8 134 141 A G H > S+ 0 0 0 99,-1.1 4,-2.6 -2,-0.2 5,-0.2 0.861 122.4 59.9 -49.7 -34.9 70.8 11.9 58.3 135 142 A R H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 105.3 45.4 -65.3 -41.6 73.4 9.5 59.4 136 143 A A H > S+ 0 0 0 -6,-0.3 4,-2.9 -5,-0.2 5,-0.2 0.929 111.4 51.7 -64.9 -47.9 71.9 6.7 57.3 137 144 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 111.6 49.1 -51.7 -49.5 71.5 8.9 54.3 138 145 A A H X S+ 0 0 5 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.903 111.5 48.3 -60.6 -42.0 75.2 9.8 54.7 139 146 A E H X S+ 0 0 23 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.913 110.6 51.5 -60.9 -46.1 76.3 6.1 55.0 140 147 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.888 108.1 51.0 -62.0 -41.1 74.2 5.1 51.9 141 148 A A H X>S+ 0 0 8 -4,-2.1 5,-1.5 -5,-0.2 4,-0.7 0.915 117.1 40.2 -62.3 -45.6 75.8 7.8 49.8 142 149 A R H ><5S+ 0 0 149 -4,-1.8 3,-0.9 2,-0.2 -2,-0.2 0.988 119.2 42.4 -70.3 -59.2 79.3 6.8 50.8 143 150 A R H 3<5S+ 0 0 115 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.826 122.3 41.7 -55.0 -36.9 78.9 2.9 50.7 144 151 A A H 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.621 99.8-139.3 -84.0 -12.0 76.9 3.2 47.5 145 152 A D T <<5 + 0 0 104 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.963 59.0 126.0 46.6 59.5 79.2 5.8 45.9 146 153 A V < - 0 0 8 -5,-1.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.849 66.5 -80.7-134.7 169.3 76.2 7.7 44.5 147 154 A S > - 0 0 29 -2,-0.3 4,-2.2 -80,-0.1 5,-0.2 -0.290 40.9-109.4 -69.7 161.6 75.1 11.4 44.8 148 155 A A H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 -1,-0.1 0.863 119.6 51.8 -53.9 -36.9 73.2 12.7 47.8 149 156 A T H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.831 106.3 52.3 -77.1 -31.0 70.0 13.0 45.7 150 157 A S H > S+ 0 0 23 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.953 115.9 41.5 -63.8 -46.2 70.3 9.5 44.4 151 158 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.864 108.6 60.3 -67.6 -40.8 70.6 8.3 48.0 152 159 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.943 111.3 40.0 -49.7 -53.9 67.9 10.7 49.2 153 160 A Y H X S+ 0 0 113 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.838 115.6 50.0 -70.2 -34.6 65.3 9.1 47.0 154 161 A A H X S+ 0 0 11 -4,-1.8 4,-0.7 -5,-0.2 3,-0.2 0.970 114.7 44.4 -64.0 -56.2 66.4 5.6 47.5 155 162 A L H >< S+ 0 0 1 -4,-3.0 3,-1.5 1,-0.2 4,-0.2 0.935 113.6 48.1 -53.2 -56.7 66.4 6.0 51.3 156 163 A A H >< S+ 0 0 1 -4,-2.4 3,-0.9 -5,-0.3 30,-0.5 0.799 106.2 59.8 -57.8 -28.8 63.0 7.8 51.6 157 164 A E H 3< S+ 0 0 127 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.703 110.0 40.8 -78.2 -18.0 61.4 5.3 49.3 158 165 A R T << S+ 0 0 96 -3,-1.5 2,-0.4 -4,-0.7 -1,-0.2 0.215 90.6 112.0-112.8 15.1 62.2 2.4 51.7 159 166 A T < - 0 0 8 -3,-0.9 27,-0.9 -4,-0.2 4,-0.1 -0.762 46.3-166.9 -92.6 132.3 61.4 4.3 54.9 160 167 A A + 0 0 87 -2,-0.4 27,-0.2 25,-0.1 -1,-0.2 0.973 66.1 61.8 -81.1 -61.8 58.3 3.2 56.9 161 168 A P S S- 0 0 65 0, 0.0 2,-0.7 0, 0.0 25,-0.1 -0.176 103.7 -85.2 -64.3 163.5 57.7 6.0 59.5 162 169 A P + 0 0 56 0, 0.0 85,-2.1 0, 0.0 2,-0.4 -0.562 67.0 159.2 -74.9 111.6 56.8 9.6 58.3 163 170 A V E -C 246 0B 2 -2,-0.7 22,-1.8 83,-0.2 2,-0.5 -0.992 35.0-146.7-141.2 139.7 60.2 11.3 57.6 164 171 A I E -CD 245 184B 0 81,-2.8 81,-2.7 -2,-0.4 2,-0.4 -0.911 15.8-160.6-105.1 132.0 61.6 14.1 55.6 165 172 A Y E +CD 244 183B 0 18,-3.5 18,-2.5 -2,-0.5 2,-0.3 -0.889 12.4 179.2-110.8 141.3 65.1 13.9 54.2 166 173 A A E -CD 243 182B 0 77,-2.4 77,-2.7 -2,-0.4 2,-0.5 -0.995 23.2-153.3-145.7 144.7 67.2 16.9 53.1 167 174 A V E -CD 242 181B 6 14,-2.6 13,-3.1 -2,-0.3 14,-1.3 -0.989 25.6-174.2-115.6 124.7 70.5 17.7 51.7 168 175 A C E -CD 241 179B 3 73,-2.5 73,-2.2 -2,-0.5 2,-0.3 -0.923 10.7-178.7-125.6 145.0 71.8 21.2 52.6 169 176 A A E -CD 240 178B 12 9,-2.1 9,-2.8 -2,-0.3 2,-0.3 -0.883 44.7 -78.1-134.1 166.0 74.9 23.3 51.6 170 177 A L E - D 0 177B 27 69,-0.6 7,-0.2 -2,-0.3 6,-0.1 -0.513 28.5-144.9 -69.7 126.0 76.1 26.7 52.6 171 178 A S 0 0 46 5,-2.1 -1,-0.2 -2,-0.3 6,-0.1 0.883 360.0 360.0 -61.3 -44.0 74.2 29.4 50.9 172 179 A R 0 0 195 4,-0.5 -1,-0.3 -3,-0.0 -2,-0.1 -0.094 360.0 360.0 -23.4 360.0 77.5 31.2 50.8 173 ! 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 0.0 174 189 A A 0 0 72 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 97.4 77.0 29.6 62.5 175 190 A K - 0 0 96 30,-0.3 2,-0.3 25,-0.1 34,-0.2 -0.913 360.0 -98.7-124.0 151.5 76.2 30.3 58.8 176 191 A E - 0 0 89 -2,-0.3 -5,-2.1 -6,-0.1 -4,-0.5 -0.514 36.1-155.9 -75.9 129.2 72.9 29.9 56.8 177 192 A L E -DE 170 198B 0 21,-1.3 21,-2.0 -2,-0.3 2,-0.4 -0.354 5.1-138.6 -91.5 177.7 72.4 26.9 54.7 178 193 A T E -DE 169 197B 27 -9,-2.8 -9,-2.1 19,-0.2 2,-0.4 -0.996 20.7-118.5-136.9 132.0 70.2 26.2 51.6 179 194 A V E +D 168 0B 1 17,-2.2 16,-2.7 -2,-0.4 -11,-0.2 -0.565 31.8 175.4 -65.4 125.1 68.2 23.1 50.9 180 195 A R E + 0 0 126 -13,-3.1 2,-0.3 -2,-0.4 14,-0.2 0.823 66.1 1.8 -98.0 -47.4 69.5 21.6 47.7 181 196 A A E -D 167 0B 11 -14,-1.3 -14,-2.6 12,-0.1 -1,-0.4 -0.992 66.0-177.4-145.6 150.0 67.4 18.5 47.5 182 197 A S E -D 166 0B 18 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.967 4.1-179.7-146.0 159.4 64.6 17.0 49.6 183 198 A S E -D 165 0B 21 -18,-2.5 -18,-3.5 -2,-0.3 2,-0.3 -0.948 12.6-147.4-166.5 145.8 62.4 13.9 49.9 184 199 A A E -D 164 0B 29 -2,-0.3 -20,-0.2 -20,-0.2 -25,-0.1 -0.766 23.3-114.8-116.9 154.8 59.6 12.5 52.0 185 200 A S - 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