==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 25-JAN-10 2X3M . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ORF239; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM SPHERICAL VIRUS; . AUTHOR M.OKE,L.G.CARTER,K.A.JOHNSON,H.LIU,S.A.MCMAHON,M.F.WHITE,J.H . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 78.9 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 . 0 0.0 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 . 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 2 0 0 1 0 0 0 1 1 0 0 1 1 3 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 . 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 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 71 A T 0 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.6 6.9 53.8 15.7 2 72 A N > - 0 0 44 1,-0.1 4,-2.1 83,-0.0 5,-0.2 -0.994 360.0-137.4-147.9 133.2 7.3 52.8 19.4 3 73 A W H > S+ 0 0 11 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.847 103.3 52.7 -64.1 -37.4 6.7 54.9 22.5 4 74 A A H > S+ 0 0 15 80,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.945 111.4 45.7 -62.9 -48.6 9.8 53.6 24.4 5 75 A D H > S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.893 113.6 50.8 -61.4 -38.9 12.2 54.4 21.4 6 76 A W H X S+ 0 0 82 -4,-2.1 4,-0.7 2,-0.2 3,-0.4 0.942 110.7 47.5 -65.2 -48.0 10.5 57.8 21.1 7 77 A I H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.3 0.922 110.3 53.2 -55.4 -47.2 10.9 58.6 24.8 8 78 A M H >< S+ 0 0 66 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.788 98.1 66.4 -60.5 -30.7 14.6 57.5 24.7 9 79 A G H 3< S+ 0 0 65 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.745 93.9 58.5 -63.2 -26.2 15.1 59.9 21.7 10 80 A W T << S+ 0 0 29 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.570 81.8 116.0 -79.0 -11.0 14.5 62.9 24.1 11 81 A R < + 0 0 109 -3,-1.3 43,-0.1 -4,-0.3 -3,-0.0 -0.406 30.7 156.2 -69.0 130.1 17.4 61.9 26.3 12 82 A T > - 0 0 74 -2,-0.2 3,-1.0 42,-0.0 2,-0.0 -0.966 51.9 -87.1-142.2 149.5 20.4 64.2 26.7 13 83 A P T 3 S- 0 0 119 0, 0.0 3,-0.1 0, 0.0 41,-0.0 -0.353 108.4 -3.7 -58.7 132.9 22.9 64.4 29.6 14 84 A N T 3 S- 0 0 163 1,-0.2 40,-0.0 40,-0.1 -3,-0.0 0.879 88.9-150.4 54.3 47.3 21.7 66.7 32.3 15 85 A A < - 0 0 21 -3,-1.0 -1,-0.2 1,-0.1 -4,-0.0 -0.208 14.5-118.1 -52.9 131.5 18.6 67.9 30.4 16 86 A S > - 0 0 66 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.258 19.3-112.5 -68.2 157.5 17.6 71.4 31.3 17 87 A E H > S+ 0 0 158 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 119.9 52.7 -55.0 -43.1 14.2 72.2 32.9 18 88 A K H > S+ 0 0 180 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 109.8 47.7 -60.5 -44.0 13.2 74.0 29.6 19 89 A K H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 112.5 49.0 -64.7 -42.7 14.1 71.0 27.5 20 90 A M H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.901 112.2 47.3 -66.2 -40.7 12.2 68.6 29.8 21 91 A E H X S+ 0 0 77 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.823 108.9 55.6 -70.1 -30.6 9.1 70.8 29.8 22 92 A F H X S+ 0 0 114 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.929 108.7 47.5 -64.0 -45.1 9.3 71.1 26.0 23 93 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 112.6 49.5 -58.4 -49.3 9.3 67.3 25.8 24 94 A Y H X S+ 0 0 20 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.931 113.9 44.8 -55.3 -48.3 6.3 67.1 28.2 25 95 A W H X S+ 0 0 156 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.876 112.0 51.5 -68.4 -39.3 4.3 69.7 26.3 26 96 A Y H X S+ 0 0 120 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.927 114.4 44.8 -60.0 -46.6 5.1 68.2 22.9 27 97 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.936 114.6 46.9 -64.7 -50.3 3.9 64.8 24.2 28 98 A R H X S+ 0 0 73 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.918 114.2 47.2 -59.3 -46.4 0.8 66.1 25.9 29 99 A T H X S+ 0 0 10 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.874 111.1 52.0 -68.0 -35.9 -0.2 68.2 22.9 30 100 A Y H X>S+ 0 0 90 -4,-2.1 4,-2.7 -5,-0.2 5,-1.2 0.945 110.1 48.9 -61.0 -48.2 0.4 65.3 20.5 31 101 A L H <5S+ 0 0 0 -4,-2.5 6,-2.4 1,-0.2 4,-0.4 0.897 117.0 42.3 -60.5 -40.5 -1.8 63.0 22.7 32 102 A E H X5S+ 0 0 49 -4,-2.2 4,-0.6 4,-0.2 -2,-0.2 0.935 125.7 31.1 -68.2 -48.2 -4.6 65.7 22.7 33 103 A E H <5S+ 0 0 157 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.886 130.1 30.4 -86.4 -42.5 -4.4 66.7 19.1 34 104 A A T <5S+ 0 0 61 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.793 133.3 29.3 -88.2 -32.2 -3.3 63.6 17.2 35 105 A K T 4> - 0 0 133 -2,-0.3 4,-3.0 1,-0.1 3,-0.6 -0.263 33.4-116.2 -57.5 138.5 -8.8 63.9 27.2 39 109 A P H 3> S+ 0 0 70 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.805 112.4 51.3 -52.8 -39.1 -6.5 66.6 28.6 40 110 A D H 3> S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.903 115.6 42.6 -64.8 -39.7 -6.3 65.3 32.2 41 111 A I H <> S+ 0 0 10 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.916 113.8 51.7 -70.5 -43.1 -5.3 61.8 30.9 42 112 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.908 109.0 51.5 -60.0 -44.0 -2.9 63.4 28.3 43 113 A D H X S+ 0 0 60 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.948 111.7 45.9 -54.9 -52.8 -1.3 65.5 31.1 44 114 A A H X S+ 0 0 8 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.894 115.6 45.0 -62.4 -43.5 -0.7 62.4 33.3 45 115 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.901 113.8 49.6 -69.9 -40.0 0.7 60.2 30.5 46 116 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.920 113.0 46.7 -63.0 -44.7 2.9 63.0 29.2 47 117 A R H X S+ 0 0 34 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.9 50.0 -65.3 -42.2 4.3 63.7 32.6 48 118 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.911 111.6 47.9 -59.2 -45.3 4.8 60.0 33.3 49 119 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.859 108.6 53.7 -68.3 -34.9 6.6 59.6 30.0 50 120 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.906 107.4 53.6 -60.0 -40.6 8.8 62.7 30.7 51 121 A G H X>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 4,-0.9 0.895 109.6 46.5 -58.0 -43.5 9.6 60.8 34.0 52 122 A L H <5S+ 0 0 2 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.877 114.2 48.6 -67.6 -39.2 10.7 57.8 32.0 53 123 A A H <5S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.931 121.9 30.8 -64.1 -46.1 12.8 59.9 29.6 54 124 A F H <5S- 0 0 34 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.298 107.8-108.3-108.7 8.8 14.6 61.9 32.2 55 125 A G T <5 + 0 0 65 -4,-0.9 2,-0.7 1,-0.2 -3,-0.2 0.886 66.2 146.8 69.3 40.6 14.9 59.6 35.2 56 126 A R >>< - 0 0 84 -5,-2.0 4,-2.0 -6,-0.2 3,-0.9 -0.872 26.4-176.8-112.9 96.5 12.4 61.4 37.3 57 127 A T H 3> S+ 0 0 85 -2,-0.7 4,-1.6 1,-0.3 -1,-0.1 0.812 83.7 62.1 -63.8 -30.2 10.6 58.9 39.5 58 128 A D H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.809 108.4 43.3 -63.7 -30.6 8.4 61.8 40.9 59 129 A W H X4 S+ 0 0 32 -3,-0.9 3,-1.7 2,-0.2 4,-0.4 0.840 104.8 61.2 -81.9 -38.0 7.1 62.3 37.3 60 130 A V H >< S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.3 4,-0.4 0.875 91.8 71.6 -54.4 -36.3 6.7 58.6 36.6 61 131 A A G >< S+ 0 0 15 -4,-1.6 3,-1.4 1,-0.3 4,-0.3 0.782 82.5 70.5 -48.7 -33.2 4.2 58.6 39.5 62 132 A S G X S+ 0 0 41 -3,-1.7 3,-0.6 1,-0.3 -1,-0.3 0.848 101.1 43.7 -58.1 -34.9 1.7 60.6 37.3 63 133 A M G < S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.424 103.7 66.2 -92.5 2.0 1.1 57.5 35.1 64 134 A L G < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.347 71.4 117.4 -99.6 4.5 0.8 55.2 38.1 65 135 A D X> - 0 0 61 -3,-0.6 4,-2.7 -4,-0.3 3,-2.0 -0.590 67.2-138.6 -67.5 121.7 -2.4 56.9 39.3 66 136 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 46,-0.2 0.814 102.5 62.2 -55.1 -30.9 -5.2 54.3 39.2 67 137 A Q H 34 S+ 0 0 88 2,-0.2 4,-0.1 1,-0.2 -2,-0.0 0.718 114.1 35.1 -67.3 -20.1 -7.6 56.9 37.7 68 138 A I H X4 S+ 0 0 10 -3,-2.0 3,-1.8 2,-0.1 -1,-0.2 0.836 114.5 54.0 -95.2 -48.9 -5.2 57.1 34.7 69 139 A M H >< S+ 0 0 3 -4,-2.7 3,-2.0 1,-0.3 4,-0.2 0.792 94.9 70.3 -58.8 -30.3 -4.1 53.5 34.5 70 140 A R G >< S+ 0 0 41 -4,-1.9 3,-1.6 1,-0.3 4,-0.3 0.749 81.9 74.5 -61.2 -21.7 -7.7 52.2 34.3 71 141 A H G <> + 0 0 29 -3,-1.8 4,-2.1 1,-0.3 3,-0.4 0.560 68.5 89.4 -72.8 -5.4 -8.0 53.8 30.8 72 142 A I G <4 S+ 0 0 4 -3,-2.0 7,-0.3 1,-0.2 -1,-0.3 0.869 92.7 45.1 -49.6 -37.5 -5.9 50.9 29.6 73 143 A Y T <4 S+ 0 0 121 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.715 117.1 41.5 -81.3 -22.4 -9.3 49.1 29.1 74 144 A T T 4 S+ 0 0 99 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.1 0.628 115.1 42.3-103.3 -17.9 -11.2 52.0 27.5 75 145 A D >X - 0 0 41 -4,-2.1 4,-2.3 1,-0.1 3,-1.0 -0.922 58.3-158.2-137.9 109.3 -8.7 53.5 25.0 76 146 A P H 3> S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.791 97.6 58.7 -55.2 -29.4 -6.4 51.3 22.8 77 147 A E H 3> S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.852 107.8 45.6 -68.0 -34.2 -4.0 54.3 22.5 78 148 A V H <> S+ 0 0 0 -3,-1.0 4,-2.2 -7,-0.3 -6,-0.2 0.926 111.2 51.8 -73.2 -43.9 -3.6 54.4 26.3 79 149 A A H X S+ 0 0 17 -4,-2.3 4,-2.7 -8,-0.4 -2,-0.2 0.901 109.3 52.1 -55.4 -40.8 -3.1 50.6 26.4 80 150 A R H X S+ 0 0 75 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.875 106.1 53.2 -66.1 -39.4 -0.5 50.9 23.7 81 151 A I H X S+ 0 0 1 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.951 113.2 43.5 -60.0 -47.7 1.4 53.6 25.7 82 152 A Y H X S+ 0 0 4 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.917 115.9 46.9 -65.9 -41.9 1.5 51.3 28.8 83 153 A S H >< S+ 0 0 59 -4,-2.7 3,-0.7 1,-0.2 4,-0.4 0.919 113.7 47.3 -69.0 -39.9 2.5 48.2 26.8 84 154 A E H 3< S+ 0 0 46 -4,-2.6 -80,-0.3 1,-0.2 -1,-0.2 0.738 119.6 39.6 -74.5 -20.8 5.2 49.9 24.8 85 155 A T H 3X S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.346 85.6 103.0-104.4 5.1 6.7 51.5 28.0 86 156 A R H S+ 0 0 101 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.905 111.8 48.4 -62.4 -38.8 9.9 47.5 30.1 88 158 A M H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 112.6 49.0 -64.8 -41.7 10.9 51.0 31.0 89 159 A L H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.906 110.1 49.7 -64.5 -43.6 8.4 51.1 33.9 90 160 A R H <>S+ 0 0 70 -4,-2.9 5,-3.4 -5,-0.2 6,-0.3 0.891 110.3 52.5 -63.5 -37.4 9.6 47.7 35.2 91 161 A R H ><5S+ 0 0 115 -4,-2.1 3,-1.7 -5,-0.2 -2,-0.2 0.935 108.6 48.2 -62.3 -47.2 13.2 49.0 35.1 92 162 A V H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 112.0 50.5 -66.2 -27.7 12.3 52.1 37.1 93 163 A S T ><5S- 0 0 4 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.3 0.349 113.6-118.8 -85.5 4.8 10.5 50.0 39.7 94 164 A D T < 5S- 0 0 114 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.859 71.6 -60.1 51.7 38.3 13.5 47.6 40.0 95 165 A Y T 3 - 0 0 49 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.364 33.1-101.3 -72.6 167.3 1.0 42.6 32.6 101 171 A T H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.929 124.6 45.0 -56.8 -46.8 -0.4 45.7 31.0 102 172 A M H > S+ 0 0 82 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.797 112.7 50.9 -74.8 -26.3 -4.0 44.3 31.0 103 173 A E H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.1 5,-0.2 0.891 109.6 51.7 -69.4 -41.3 -3.6 43.1 34.7 104 174 A L H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.925 110.2 48.8 -60.1 -45.2 -2.4 46.6 35.6 105 175 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.895 112.9 47.2 -61.3 -41.0 -5.4 48.1 33.9 106 176 A K H X S+ 0 0 86 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.913 112.7 48.0 -68.1 -45.4 -7.8 45.8 35.7 107 177 A V H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.918 111.1 52.6 -60.4 -43.6 -6.2 46.3 39.1 108 178 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.914 109.8 47.9 -57.4 -46.0 -6.3 50.1 38.5 109 179 A D H X S+ 0 0 49 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.909 111.0 50.8 -65.4 -42.7 -10.0 50.0 37.7 110 180 A I H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 114.0 44.6 -56.6 -48.5 -10.8 47.8 40.8 111 181 A I H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.938 113.5 49.3 -64.5 -47.5 -8.9 50.3 43.0 112 182 A A H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.930 116.2 42.8 -57.7 -48.5 -10.4 53.4 41.5 113 183 A E H X S+ 0 0 93 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.888 116.1 48.3 -64.5 -42.9 -14.0 52.0 41.8 114 184 A A H X>S+ 0 0 7 -4,-2.5 5,-2.6 -5,-0.3 4,-0.6 0.909 110.4 49.5 -67.6 -44.8 -13.4 50.6 45.3 115 185 A K H ><5S+ 0 0 84 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.903 108.5 53.9 -62.7 -41.5 -11.9 53.8 46.7 116 186 A A H 3<5S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.810 113.9 42.0 -61.5 -32.3 -14.7 55.9 45.3 117 187 A K H 3<5S- 0 0 174 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.401 113.2-117.6 -96.4 0.9 -17.3 53.7 47.1 118 188 A G T <<5 - 0 0 60 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.836 46.2-178.7 67.7 35.8 -15.3 53.4 50.3 119 189 A E < - 0 0 78 -5,-2.6 -1,-0.2 -6,-0.1 -5,-0.0 -0.354 35.9 -99.9 -68.3 146.1 -14.7 49.7 50.1 120 190 A N >> - 0 0 85 1,-0.1 4,-1.9 -2,-0.0 3,-1.0 -0.486 26.9-131.0 -59.9 126.9 -12.8 47.9 52.9 121 191 A P H 3> S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.780 106.7 64.3 -53.0 -29.8 -9.2 47.3 51.7 122 192 A E H 3> S+ 0 0 87 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.892 105.9 43.6 -58.5 -42.5 -9.6 43.7 52.9 123 193 A V H <> S+ 0 0 55 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.906 111.6 53.1 -69.7 -42.9 -12.3 43.2 50.3 124 194 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.896 104.9 55.5 -61.7 -39.5 -10.3 45.0 47.6 125 195 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.908 108.6 48.1 -58.1 -41.8 -7.3 42.8 48.2 126 196 A R H X S+ 0 0 127 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.867 109.4 52.8 -69.7 -34.4 -9.5 39.7 47.5 127 197 A E H X S+ 0 0 67 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.908 111.4 46.8 -62.2 -42.5 -10.9 41.4 44.3 128 198 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.926 110.2 51.6 -67.6 -44.3 -7.3 41.9 43.1 129 199 A A H < S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.0 46.5 -59.8 -40.4 -6.2 38.4 44.0 130 200 A E H < S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 112.2 50.5 -68.1 -36.1 -9.2 37.1 42.0 131 201 A A H < S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.729 116.5 40.2 -74.3 -25.0 -8.5 39.4 39.1 132 202 A V >< + 0 0 0 -4,-1.7 3,-1.3 -3,-0.1 -1,-0.2 -0.585 61.2 158.4-127.8 67.5 -4.9 38.4 38.8 133 203 A P T 3 + 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.717 67.6 72.9 -64.9 -19.6 -4.6 34.6 39.3 134 204 A R T 3 S+ 0 0 138 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.776 97.2 54.0 -63.6 -28.9 -1.2 34.5 37.5 135 205 A L S < S- 0 0 25 -3,-1.3 -3,-0.1 -6,-0.1 -36,-0.0 -0.836 85.8-118.9-112.3 147.0 0.5 36.2 40.5 136 206 A S > - 0 0 62 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.346 32.2-108.0 -72.9 161.0 0.6 35.3 44.1 137 207 A P H > S+ 0 0 39 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.881 122.7 54.1 -57.2 -36.4 -0.8 37.6 46.8 138 208 A K H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.908 108.7 47.8 -64.2 -41.5 2.8 38.3 47.9 139 209 A S H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 111.6 50.5 -61.0 -45.5 3.7 39.3 44.3 140 210 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.877 105.7 57.7 -62.4 -37.1 0.7 41.5 44.2 141 211 A Y H X S+ 0 0 46 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.938 106.6 47.2 -53.5 -51.9 1.7 43.1 47.5 142 212 A F H X S+ 0 0 81 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.879 111.5 51.9 -64.9 -35.8 5.1 44.1 46.0 143 213 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.955 116.4 38.6 -59.1 -52.4 3.4 45.5 42.9 144 214 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.798 111.6 58.4 -74.8 -29.5 0.9 47.6 44.9 145 215 A Y H X S+ 0 0 91 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.938 110.1 44.5 -59.9 -48.1 3.5 48.6 47.5 146 216 A Y H X S+ 0 0 37 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.948 117.4 43.9 -61.8 -49.4 5.6 50.1 44.8 147 217 A I H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.953 115.0 48.9 -61.4 -49.8 2.7 51.8 43.1 148 218 A G H X>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 4,-1.0 0.870 114.1 45.1 -60.4 -41.7 1.2 53.0 46.5 149 219 A R H <5S+ 0 0 138 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.2 52.9 -68.3 -40.2 4.5 54.4 47.7 150 220 A S H <5S+ 0 0 32 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.917 119.6 32.4 -61.6 -45.7 5.2 56.1 44.3 151 221 A I H <5S- 0 0 44 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.517 107.0-121.9 -91.5 -7.3 1.9 57.9 44.2 152 222 A G T <5 + 0 0 60 -4,-1.0 2,-0.6 -5,-0.3 -3,-0.2 0.926 55.5 154.6 66.7 47.9 1.6 58.5 47.9 153 223 A D >< - 0 0 23 -5,-2.2 4,-1.9 -6,-0.1 -1,-0.2 -0.900 28.3-171.8-114.6 104.1 -1.7 56.6 48.2 154 224 A N H > S+ 0 0 113 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.783 86.4 58.9 -67.2 -26.9 -2.4 55.2 51.7 155 225 A Y H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 106.9 46.6 -66.2 -47.2 -5.5 53.4 50.5 156 226 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.897 112.0 52.0 -58.9 -40.8 -3.4 51.5 47.9 157 227 A L H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.868 106.9 52.8 -66.6 -35.2 -0.9 50.8 50.7 158 228 A E H X S+ 0 0 92 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.911 110.4 47.8 -62.7 -44.7 -3.6 49.4 53.0 159 229 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 111.0 51.8 -60.7 -45.1 -4.7 47.0 50.2 160 230 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.924 106.0 54.5 -57.8 -44.8 -1.1 46.0 49.7 161 231 A R H X S+ 0 0 112 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.878 107.0 50.5 -59.5 -38.8 -0.7 45.3 53.4 162 232 A V H >X S+ 0 0 14 -4,-1.7 4,-1.0 1,-0.2 3,-0.8 0.941 109.6 51.2 -63.3 -45.3 -3.7 42.9 53.3 163 233 A L H >< S+ 0 0 1 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.858 102.9 59.8 -58.6 -37.5 -2.2 41.1 50.3 164 234 A S H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 111.1 40.9 -60.5 -32.4 1.1 40.7 52.1 165 235 A K H << 0 0 176 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.569 360.0 360.0 -90.1 -15.5 -0.7 38.7 54.9 166 236 A M << 0 0 81 -4,-1.0 -28,-0.2 -3,-0.5 -4,-0.0 -0.567 360.0 360.0 -76.1 360.0 -2.9 36.7 52.6