==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 19-OCT-08 2K9M . COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR RPON; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR E.HONG,D.WEMMER . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 54.6 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 . 2 1.5 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 . 1 0.8 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 1 1 2 0 0 2 1 0 0 0 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 . 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 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 69 A Y 0 0 269 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 2.1 0.0 -1.2 2 70 A T - 0 0 105 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.705 360.0 -93.4-105.3 157.1 2.1 -2.8 -3.8 3 71 A P - 0 0 71 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.450 31.9-179.0 -69.7 135.4 5.1 -4.5 -5.5 4 72 A S > + 0 0 20 -2,-0.2 4,-1.7 2,-0.1 5,-0.1 0.005 51.3 107.0-123.0 25.7 6.1 -3.1 -8.9 5 73 A E H > S+ 0 0 68 118,-0.2 4,-1.8 2,-0.2 5,-0.1 0.965 84.2 40.4 -68.4 -54.4 9.0 -5.5 -9.6 6 74 A L H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.954 117.2 48.5 -59.6 -52.9 7.2 -7.5 -12.3 7 75 A E H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 109.5 54.2 -55.4 -41.1 5.6 -4.4 -13.9 8 76 A E H X S+ 0 0 87 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.873 108.0 49.8 -61.8 -38.1 8.9 -2.7 -13.9 9 77 A L H X S+ 0 0 8 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.903 109.1 51.7 -67.8 -42.2 10.5 -5.6 -15.8 10 78 A Q H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.962 112.5 43.8 -59.1 -55.3 7.7 -5.6 -18.4 11 79 A Q H X S+ 0 0 80 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.915 111.3 55.3 -56.9 -45.9 8.0 -1.9 -19.2 12 80 A N H X S+ 0 0 56 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.905 107.7 50.0 -54.5 -44.8 11.8 -2.1 -19.2 13 81 A I H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.964 110.1 47.4 -59.3 -55.5 11.7 -4.9 -21.8 14 82 A K H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 114.4 52.6 -58.6 -23.5 9.3 -3.0 -24.2 15 83 A L H < S+ 0 0 136 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.978 115.8 33.2 -76.2 -62.4 11.7 -0.0 -23.7 16 84 A E H < S+ 0 0 94 -4,-2.7 2,-0.3 -5,-0.1 -2,-0.2 0.871 138.0 6.2 -62.3 -37.8 15.0 -1.6 -24.5 17 85 A L < - 0 0 22 -4,-3.2 2,-0.3 -5,-0.3 -1,-0.1 -0.893 65.5-178.4-140.7 169.9 13.3 -3.8 -27.1 18 86 A E + 0 0 141 -2,-0.3 2,-0.5 -3,-0.0 3,-0.3 -0.980 41.0 50.4-166.0 158.7 9.9 -4.4 -28.7 19 87 A G S > S- 0 0 41 -2,-0.3 4,-0.8 1,-0.2 -2,-0.0 -0.938 109.9 -14.8 116.0-131.0 8.1 -6.6 -31.2 20 88 A K H > S+ 0 0 135 -2,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.871 131.0 59.2 -80.3 -39.9 8.1 -10.4 -31.2 21 89 A E H > S+ 0 0 74 -3,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.932 107.6 45.9 -53.9 -50.5 11.1 -10.8 -28.8 22 90 A Q H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.848 107.7 60.2 -62.2 -34.9 9.3 -8.8 -26.1 23 91 A E H X S+ 0 0 95 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.952 104.0 47.9 -58.1 -53.1 6.1 -10.9 -26.8 24 92 A L H X S+ 0 0 15 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.938 111.5 50.6 -53.8 -51.9 7.8 -14.2 -25.9 25 93 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.942 109.2 50.3 -52.0 -54.3 9.3 -12.8 -22.7 26 94 A L H < S+ 0 0 24 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.900 108.6 53.9 -52.0 -44.9 6.0 -11.4 -21.5 27 95 A E H >X S+ 0 0 38 -4,-2.3 4,-1.8 2,-0.2 3,-1.3 0.947 107.7 48.8 -55.8 -53.1 4.4 -14.8 -22.2 28 96 A L H 3< S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.918 117.9 40.3 -53.8 -47.7 6.9 -16.7 -20.1 29 97 A L T 3< S+ 0 0 14 -4,-2.4 3,-0.3 1,-0.2 -1,-0.3 0.455 111.6 61.7 -81.3 -0.6 6.4 -14.2 -17.2 30 98 A N T <4 S+ 0 0 91 -3,-1.3 2,-0.4 -4,-0.5 -2,-0.2 0.730 94.9 58.5 -94.5 -27.9 2.7 -14.3 -18.0 31 99 A Y S < S+ 0 0 80 -4,-1.8 8,-1.1 -3,-0.4 9,-0.7 -0.279 87.5 111.3 -97.3 46.9 2.2 -18.0 -17.3 32 100 A L B -A 38 0A 59 -2,-0.4 6,-0.2 -3,-0.3 2,-0.1 -0.719 61.3-120.6-116.2 167.6 3.5 -17.7 -13.7 33 101 A N > - 0 0 73 4,-1.4 3,-1.3 -2,-0.2 4,-0.1 -0.414 38.3 -92.4 -99.7 177.9 1.8 -18.1 -10.3 34 102 A E T 3 S+ 0 0 185 1,-0.2 4,-0.1 -2,-0.1 -1,-0.0 0.035 112.0 81.0 -79.7 29.7 1.5 -15.6 -7.3 35 103 A K T 3 S- 0 0 125 2,-0.3 -1,-0.2 -2,-0.1 89,-0.1 0.600 109.4-107.1-107.0 -19.5 4.7 -17.2 -5.9 36 104 A G S < S+ 0 0 7 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.390 91.7 83.1 106.4 -1.1 7.2 -15.2 -8.1 37 105 A F S S- 0 0 78 -4,-0.1 -4,-1.4 35,-0.1 -2,-0.3 -0.994 89.1 -91.0-137.9 142.7 8.1 -18.1 -10.3 38 106 A L B -A 32 0A 25 34,-0.5 -6,-0.3 -2,-0.3 -9,-0.1 -0.156 25.4-147.4 -49.5 138.6 6.6 -19.7 -13.4 39 107 A S S S+ 0 0 81 -8,-1.1 2,-0.3 2,-0.1 -7,-0.2 0.665 82.7 46.3 -83.4 -18.2 4.2 -22.5 -12.6 40 108 A K S S- 0 0 78 -9,-0.7 -9,-0.1 -12,-0.2 -1,-0.1 -0.942 92.9-101.8-127.1 148.5 5.1 -24.3 -15.8 41 109 A S > - 0 0 47 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.082 31.4-115.1 -60.2 164.6 8.4 -25.1 -17.4 42 110 A V H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.878 113.0 57.4 -70.3 -39.1 9.7 -23.1 -20.4 43 111 A E H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 112.7 38.8 -56.4 -53.6 9.5 -26.0 -22.8 44 112 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 116.0 52.5 -64.6 -42.9 5.8 -26.6 -22.1 45 113 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.853 110.8 48.0 -61.8 -35.5 5.1 -22.9 -22.0 46 114 A S H <>S+ 0 0 0 -4,-2.7 5,-3.5 2,-0.2 4,-0.3 0.816 110.9 50.9 -74.8 -31.7 6.8 -22.4 -25.4 47 115 A D H <5S+ 0 0 119 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.840 113.4 44.8 -74.0 -34.4 4.9 -25.4 -26.9 48 116 A V H <5S+ 0 0 64 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 114.2 47.7 -77.1 -37.7 1.5 -24.0 -25.7 49 117 A L T <5S- 0 0 31 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.515 116.7-116.1 -80.4 -5.1 2.3 -20.4 -26.8 50 118 A R T 5 + 0 0 207 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.982 69.2 130.6 68.1 59.7 3.4 -21.8 -30.2 51 119 A C < - 0 0 22 -5,-3.5 -1,-0.2 -27,-0.0 -2,-0.1 -0.999 62.3-102.2-145.5 143.0 7.1 -20.8 -29.9 52 120 A S > - 0 0 58 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.386 25.7-135.0 -65.0 136.1 10.4 -22.6 -30.5 53 121 A V H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 105.2 49.3 -55.5 -54.7 12.2 -23.5 -27.2 54 122 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 113.9 46.5 -51.3 -50.0 15.6 -22.3 -28.4 55 123 A E H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.950 111.1 50.4 -58.7 -52.3 14.1 -19.0 -29.5 56 124 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.831 110.1 53.6 -55.8 -33.3 12.1 -18.5 -26.3 57 125 A E H X S+ 0 0 116 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.955 107.8 47.4 -67.3 -51.9 15.4 -19.2 -24.4 58 126 A K H X S+ 0 0 133 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 118.2 41.5 -55.0 -50.9 17.4 -16.5 -26.2 59 127 A V H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.901 112.7 54.4 -64.6 -42.1 14.7 -13.9 -25.7 60 128 A R H X S+ 0 0 7 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.848 110.3 48.1 -60.8 -34.9 14.0 -15.0 -22.2 61 129 A Q H X S+ 0 0 63 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.943 109.6 49.8 -71.3 -50.0 17.7 -14.6 -21.4 62 130 A K H < S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.853 119.0 40.3 -57.4 -35.9 18.0 -11.1 -22.9 63 131 A V H >< S+ 0 0 0 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.782 108.6 60.7 -83.2 -29.7 14.9 -10.1 -21.0 64 132 A L H 3< S+ 0 0 0 -4,-1.8 6,-1.4 1,-0.3 -2,-0.2 0.810 95.3 62.7 -66.9 -30.0 16.0 -11.9 -17.8 65 133 A R T 3< S+ 0 0 104 -4,-1.9 -1,-0.3 4,-0.2 -2,-0.2 0.692 89.2 95.0 -68.2 -18.1 19.2 -9.8 -17.7 66 134 A L S < S- 0 0 8 -3,-1.0 -57,-0.1 -4,-0.2 4,-0.1 -0.135 89.2 -63.6 -68.2 169.2 16.9 -6.8 -17.2 67 135 A E S S+ 0 0 109 -59,-0.1 2,-0.2 2,-0.1 -55,-0.2 -0.911 127.1 34.6-110.2 127.5 15.9 -5.4 -13.8 68 136 A P S S- 0 0 27 0, 0.0 -2,-0.1 0, 0.0 51,-0.0 0.565 108.4-121.8 -69.8 163.0 14.5 -7.0 -12.0 69 137 A L - 0 0 8 -2,-0.2 2,-2.4 1,-0.1 3,-0.3 -0.078 36.2 -83.8 -64.3 169.8 16.2 -10.2 -13.2 70 138 A G > + 0 0 3 -6,-1.4 4,-1.9 1,-0.2 5,-0.5 -0.413 59.3 162.1 -77.6 68.1 14.3 -13.1 -14.6 71 139 A V T 4 S+ 0 0 12 -2,-2.4 4,-0.2 1,-0.3 -1,-0.2 0.858 78.4 48.3 -54.6 -37.5 13.5 -14.6 -11.2 72 140 A C T 4 S+ 0 0 11 -3,-0.3 -34,-0.5 -35,-0.1 -1,-0.3 0.803 107.2 58.3 -73.5 -30.1 10.7 -16.6 -12.9 73 141 A S T 4 S+ 0 0 11 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.993 130.1 4.7 -62.7 -64.8 13.1 -17.7 -15.6 74 142 A K S < S- 0 0 81 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.936 117.1 -92.1 -86.1 -57.9 15.7 -19.4 -13.5 75 143 A D > - 0 0 51 -5,-0.5 4,-0.7 -4,-0.2 -1,-0.3 -0.966 37.8 -71.0 164.7-174.5 14.2 -19.2 -10.0 76 144 A V T 4 S+ 0 0 35 -2,-0.3 4,-0.3 2,-0.2 3,-0.2 0.947 131.5 28.4 -71.7 -50.8 14.0 -17.2 -6.8 77 145 A W T >> S+ 0 0 136 1,-0.2 3,-1.2 2,-0.2 4,-0.9 0.791 114.8 63.8 -80.3 -29.9 17.5 -17.9 -5.6 78 146 A E H 3> S+ 0 0 50 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.736 83.6 79.5 -65.7 -22.1 18.9 -18.4 -9.1 79 147 A F H 3X S+ 0 0 12 -4,-0.7 4,-1.6 1,-0.2 -1,-0.3 0.850 94.7 47.0 -53.6 -36.3 18.0 -14.7 -9.7 80 148 A L H <> S+ 0 0 12 -3,-1.2 4,-2.0 -4,-0.3 -1,-0.2 0.937 109.1 52.3 -72.0 -48.6 21.2 -13.8 -7.9 81 149 A E H X S+ 0 0 47 -4,-0.9 4,-2.1 1,-0.2 3,-0.3 0.944 116.6 38.9 -52.4 -54.5 23.4 -16.3 -9.7 82 150 A L H X S+ 0 0 16 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.864 109.0 63.5 -65.3 -36.7 22.3 -15.0 -13.1 83 151 A Q H X S+ 0 0 6 -4,-1.6 4,-3.1 -5,-0.4 5,-0.4 0.877 109.0 40.8 -55.2 -40.0 22.3 -11.4 -11.9 84 152 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.958 111.4 52.9 -73.8 -53.8 26.0 -11.7 -11.3 85 153 A E H < S+ 0 0 111 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.793 122.4 34.9 -52.4 -29.0 26.9 -13.6 -14.5 86 154 A E H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.904 131.6 27.3 -90.9 -53.9 25.0 -10.8 -16.3 87 155 A I S < S+ 0 0 46 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.994 139.5 14.8 -72.0 -72.0 25.8 -7.7 -14.2 88 156 A Y + 0 0 99 -5,-0.4 3,-0.5 1,-0.2 -1,-0.2 -0.716 66.5 163.4-109.7 81.2 29.2 -8.6 -12.6 89 157 A P S > S+ 0 0 58 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.654 74.6 63.0 -69.8 -15.7 30.5 -11.5 -14.6 90 158 A E T 3 S+ 0 0 162 1,-0.2 3,-0.3 -6,-0.2 4,-0.2 0.844 107.7 39.6 -77.8 -35.6 34.0 -10.8 -13.2 91 159 A E T 3> S+ 0 0 82 -3,-0.5 4,-2.7 -7,-0.2 5,-0.4 -0.038 78.1 123.9-103.0 29.5 32.9 -11.5 -9.6 92 160 A E H <> S+ 0 0 87 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.920 79.8 41.9 -54.4 -47.7 30.7 -14.4 -10.6 93 161 A E H > S+ 0 0 140 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.889 112.8 55.2 -67.8 -40.4 32.6 -16.7 -8.2 94 162 A I H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.972 116.7 33.8 -56.6 -59.7 32.7 -14.0 -5.5 95 163 A L H X S+ 0 0 2 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.827 112.7 64.9 -66.4 -32.1 29.0 -13.4 -5.4 96 164 A K H X S+ 0 0 87 -4,-2.0 4,-1.5 -5,-0.4 -1,-0.2 0.927 106.4 41.0 -56.5 -48.2 28.4 -17.1 -6.1 97 165 A K H X S+ 0 0 87 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.852 116.7 51.0 -69.1 -35.3 29.9 -18.2 -2.8 98 166 A A H X S+ 0 0 2 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.965 110.0 46.4 -66.6 -54.4 28.2 -15.3 -1.0 99 167 A L H X S+ 0 0 9 -4,-3.5 4,-1.7 1,-0.2 -1,-0.2 0.841 114.8 49.7 -57.3 -34.3 24.7 -16.0 -2.3 100 168 A R H X S+ 0 0 122 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.832 111.7 47.8 -74.0 -33.5 25.3 -19.7 -1.4 101 169 A D H X S+ 0 0 12 -4,-1.7 4,-1.2 -3,-0.2 -2,-0.2 0.874 115.6 43.6 -74.4 -39.0 26.5 -18.8 2.1 102 170 A L H < S+ 0 0 69 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.815 115.0 50.1 -75.4 -31.6 23.6 -16.5 2.8 103 171 A K H < S+ 0 0 128 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.874 120.8 33.9 -73.9 -38.7 21.1 -18.9 1.2 104 172 A R H < S- 0 0 153 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.622 128.0 -95.2 -90.3 -16.0 22.4 -21.9 3.3 105 173 A G S < S+ 0 0 40 -4,-1.2 2,-0.3 -5,-0.1 -3,-0.2 0.533 70.5 112.0 101.9 112.9 23.2 -19.7 6.3 106 174 A K - 0 0 142 -4,-0.1 2,-0.2 -8,-0.0 -1,-0.1 -0.966 60.9 -52.8 179.3-169.2 26.6 -18.2 7.1 107 175 A K - 0 0 189 -2,-0.3 2,-0.3 1,-0.0 -6,-0.1 -0.564 44.8-142.4 -90.5 155.5 28.6 -14.9 7.4 108 176 A L - 0 0 60 -2,-0.2 -10,-0.0 -7,-0.1 -9,-0.0 -0.814 14.4-115.3-117.1 157.9 28.9 -12.3 4.7 109 177 A K > - 0 0 110 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.395 22.7-117.7 -86.7 166.4 31.8 -10.1 3.6 110 178 A P H > S+ 0 0 107 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.895 114.7 40.2 -69.8 -42.2 32.0 -6.3 3.8 111 179 A E H > S+ 0 0 153 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.905 116.6 49.1 -74.0 -43.5 32.2 -5.8 0.0 112 180 A I H > S+ 0 0 8 1,-0.2 4,-3.4 2,-0.2 5,-0.5 0.870 101.0 65.9 -63.9 -37.6 29.6 -8.4 -0.8 113 181 A K H X S+ 0 0 135 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.905 108.0 39.4 -50.8 -46.6 27.2 -7.0 1.7 114 182 A G H X S+ 0 0 23 -4,-0.9 4,-1.3 -3,-0.3 -1,-0.2 0.900 114.8 52.2 -72.1 -41.8 26.9 -3.9 -0.4 115 183 A K H < S+ 0 0 75 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.928 118.8 36.1 -60.0 -47.1 26.9 -5.6 -3.7 116 184 A L H >< S+ 0 0 17 -4,-3.4 3,-2.0 1,-0.2 -1,-0.2 0.765 104.4 73.8 -77.2 -26.4 24.1 -8.0 -2.7 117 185 A S H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 -5,-0.5 -2,-0.2 0.883 89.6 58.6 -53.8 -41.3 22.4 -5.2 -0.7 118 186 A R T 3< S+ 0 0 199 -4,-1.3 -1,-0.3 -3,-0.3 2,-0.2 0.674 113.5 46.8 -63.5 -15.8 21.3 -3.6 -3.9 119 187 A L < - 0 0 26 -3,-2.0 2,-0.3 -4,-0.2 -39,-0.0 -0.685 67.9-162.5-120.4 174.8 19.5 -6.9 -4.6 120 188 A R - 0 0 170 -2,-0.2 -3,-0.1 1,-0.0 -41,-0.0 -0.942 27.1-138.3-161.8 136.9 17.3 -9.3 -2.7 121 189 A L S S+ 0 0 60 -2,-0.3 3,-0.2 1,-0.2 -42,-0.1 0.511 101.8 66.5 -73.1 -3.3 16.2 -12.9 -3.0 122 190 A F + 0 0 78 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 -0.558 54.8 143.7-118.7 66.2 12.7 -11.7 -2.0 123 191 A P S S+ 0 0 31 0, 0.0 -118,-0.2 0, 0.0 -1,-0.2 0.885 87.3 23.1 -69.8 -40.6 11.7 -9.5 -5.0 124 192 A L S S+ 0 0 56 -3,-0.2 2,-0.3 -89,-0.1 -2,-0.1 0.143 126.9 55.5-111.7 16.5 8.0 -10.5 -4.9 125 193 A S - 0 0 63 -3,-0.1 2,-0.4 -89,-0.1 -3,-0.1 -0.859 67.0-138.5-140.2 173.9 8.1 -11.5 -1.2 126 194 A S + 0 0 109 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.997 31.9 137.2-142.6 134.5 8.9 -10.2 2.3 127 195 A S + 0 0 95 -2,-0.4 2,-0.3 -5,-0.1 -5,-0.1 -0.907 13.7 171.7-173.3 144.3 10.7 -11.8 5.2 128 196 A A - 0 0 103 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.968 20.2-131.0-153.3 165.7 13.4 -11.0 7.8 129 197 A E 0 0 197 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.875 360.0 360.0-123.3 155.9 15.0 -12.4 11.0 130 198 A K 0 0 256 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.778 360.0 360.0-107.1 360.0 15.7 -10.9 14.4