==== 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 IMMUNE SYSTEM 15-JAN-10 3LES . COMPND 2 MOLECULE: RNA POLYMERASE SIGMA FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR G.OFEK,F.J.GUENAGA,W.R.SCHIEF,J.SKINNER,R.WYATT,D.BAKER,P.D. . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 74.2 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 . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 57.0 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+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 0 2 2 0 2 0 0 2 0 2 2 0 0 0 0 0 2 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 93 A S 0 0 115 0, 0.0 5,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.6 9.6 -20.7 15.0 2 94 A D >> - 0 0 100 1,-0.2 3,-1.6 3,-0.1 4,-1.5 0.059 360.0-131.4 -33.5 115.4 8.4 -17.8 17.1 3 95 A P H 3> S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.763 105.6 55.7 -42.6 -37.7 6.2 -15.9 14.7 4 96 A V H 3> S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 103.6 52.9 -68.7 -35.4 7.9 -12.6 15.5 5 97 A R H <> S+ 0 0 147 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.855 108.2 53.7 -63.8 -34.7 11.3 -14.0 14.6 6 98 A Q H X S+ 0 0 74 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.937 108.9 46.9 -63.2 -49.8 9.7 -15.0 11.3 7 99 A Y H X S+ 0 0 13 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.909 108.4 54.4 -61.7 -45.2 8.5 -11.4 10.6 8 100 A L H X S+ 0 0 55 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.863 111.2 47.7 -58.0 -36.1 11.8 -9.9 11.5 9 101 A H H >X S+ 0 0 102 -4,-1.5 3,-1.1 2,-0.2 4,-0.9 0.960 108.5 53.1 -65.1 -52.8 13.4 -12.2 8.9 10 102 A E H 3< S+ 0 0 90 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.822 111.7 44.2 -56.0 -39.3 10.8 -11.4 6.2 11 103 A I H >< S+ 0 0 5 -4,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.604 100.9 71.2 -82.7 -12.6 11.3 -7.7 6.4 12 104 A G H << S+ 0 0 34 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.818 96.5 51.6 -68.1 -30.6 15.1 -8.1 6.5 13 105 A E T 3< S+ 0 0 145 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.2 0.489 85.6 111.5 -85.6 -5.3 15.0 -9.2 2.9 14 106 A V S < S- 0 0 23 -3,-0.6 2,-0.4 -4,-0.1 102,-0.0 -0.560 71.1-121.9 -78.0 131.0 13.0 -6.1 1.8 15 107 A L - 0 0 140 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.562 20.8-129.7 -76.9 124.7 15.0 -3.6 -0.3 16 108 A E - 0 0 147 -2,-0.4 2,-0.3 1,-0.1 98,-0.1 -0.409 25.6-138.4 -68.8 148.2 15.2 -0.1 1.1 17 109 A L - 0 0 73 -2,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.752 9.8-114.3-113.6 159.3 14.2 2.7 -1.4 18 110 A D > - 0 0 100 -2,-0.3 4,-1.4 1,-0.0 -1,-0.1 -0.221 38.1 -89.9 -85.6 175.8 15.7 6.1 -2.2 19 111 A K H >> S+ 0 0 136 1,-0.2 4,-1.2 2,-0.2 3,-1.1 0.952 122.1 35.6 -48.3 -72.4 14.3 9.6 -1.7 20 112 A W H 3> S+ 0 0 195 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.786 109.8 66.5 -59.0 -29.0 12.4 10.3 -5.0 21 113 A A H 3> S+ 0 0 43 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.872 102.3 46.5 -61.0 -37.3 11.4 6.6 -5.2 22 114 A E H S+ 0 0 80 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.785 107.7 55.9 -81.0 -29.3 1.2 7.1 -7.7 29 121 A V H X S+ 0 0 5 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.901 109.6 44.0 -69.5 -43.1 -0.9 6.4 -4.6 30 122 A E H X S+ 0 0 65 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.867 109.9 55.7 -71.2 -36.1 -2.9 9.6 -4.9 31 123 A E H X S+ 0 0 103 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.778 108.3 50.7 -63.1 -24.6 -3.3 9.1 -8.7 32 124 A G H X S+ 0 0 0 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.776 111.0 46.3 -82.5 -28.9 -4.8 5.7 -7.7 33 125 A M H X S+ 0 0 38 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.693 106.8 57.7 -85.3 -22.0 -7.2 7.3 -5.2 34 126 A E H X S+ 0 0 102 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.802 109.5 48.0 -68.7 -29.1 -8.1 9.9 -7.8 35 127 A A H X S+ 0 0 3 -4,-0.6 4,-2.6 -5,-0.2 -2,-0.2 0.777 107.1 53.6 -83.8 -30.8 -9.1 6.9 -9.8 36 128 A I H X S+ 0 0 4 -4,-1.1 4,-3.2 2,-0.2 5,-0.2 0.964 102.5 58.1 -63.4 -52.2 -11.0 5.2 -7.0 37 129 A K H X S+ 0 0 73 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.849 111.6 43.5 -45.9 -39.7 -13.1 8.4 -6.6 38 130 A K H X S+ 0 0 69 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.950 110.1 52.0 -73.0 -51.0 -14.1 8.0 -10.2 39 131 A L H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 6,-0.4 0.830 113.8 49.0 -52.6 -32.5 -14.7 4.2 -10.0 40 132 A S H X S+ 0 0 19 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.970 104.8 54.8 -67.6 -57.8 -16.9 5.2 -7.1 41 133 A E H < S+ 0 0 122 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.683 120.7 34.9 -52.5 -19.7 -18.7 7.9 -9.0 42 134 A A H < S+ 0 0 49 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.847 120.3 38.4 -96.1 -77.7 -19.5 5.2 -11.6 43 135 A T H < S- 0 0 18 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.735 101.5-127.7 -48.8 -27.4 -20.1 1.8 -10.0 44 136 A G < + 0 0 61 -4,-2.5 -1,-0.2 -5,-0.4 -4,-0.1 0.459 60.8 138.1 91.3 4.0 -21.9 3.6 -7.2 45 137 A L - 0 0 32 -6,-0.4 -1,-0.3 -5,-0.2 2,-0.1 -0.414 63.7 -91.0 -84.8 157.0 -19.8 2.0 -4.5 46 138 A D > - 0 0 104 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.420 35.5-126.2 -60.3 133.1 -18.3 3.5 -1.3 47 139 A Q H >> S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 3,-1.0 0.947 110.2 46.7 -45.7 -60.0 -14.8 4.8 -2.0 48 140 A E H 3> S+ 0 0 69 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.847 106.4 59.0 -56.0 -37.4 -13.2 2.8 0.8 49 141 A L H 3> S+ 0 0 48 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.877 109.7 44.3 -59.5 -37.0 -15.1 -0.3 -0.2 50 142 A I H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 3,-0.8 0.963 114.3 48.9 -64.5 -53.8 -8.3 -3.3 -4.9 55 147 A R H 3X S+ 0 0 51 -4,-3.3 4,-3.0 1,-0.3 5,-0.3 0.874 105.1 62.4 -50.1 -38.3 -5.8 -3.6 -2.1 56 148 A A H 3X S+ 0 0 27 -4,-1.0 4,-0.6 -5,-0.3 -1,-0.3 0.901 106.9 42.1 -55.3 -43.6 -7.2 -7.1 -1.7 57 149 A K H X< S+ 0 0 88 -4,-1.4 3,-0.8 -3,-0.8 4,-0.4 0.962 116.6 45.6 -69.7 -54.4 -6.0 -8.0 -5.2 58 150 A I H >< S+ 0 0 20 -4,-2.2 3,-2.5 1,-0.3 4,-0.2 0.948 108.4 55.9 -52.6 -56.5 -2.6 -6.4 -5.0 59 151 A L H >< S+ 0 0 13 -4,-3.0 3,-1.3 1,-0.3 -1,-0.3 0.763 90.6 81.0 -48.4 -25.9 -1.9 -7.8 -1.5 60 152 A G T << S+ 0 0 43 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.844 104.6 26.2 -47.8 -39.1 -2.6 -11.1 -3.3 61 153 A T T < S+ 0 0 131 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.072 90.9 128.2-119.3 23.9 1.0 -11.1 -4.7 62 154 A A < - 0 0 17 -3,-1.3 3,-0.2 -4,-0.2 -3,-0.0 -0.468 62.0-130.5 -79.1 152.5 2.9 -9.0 -2.1 63 155 A A S S+ 0 0 86 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.864 103.7 36.9 -67.2 -36.4 6.1 -10.3 -0.5 64 156 A I + 0 0 2 1,-0.1 -1,-0.3 44,-0.0 3,-0.1 -0.943 63.7 152.8-122.1 109.8 4.6 -9.4 2.9 65 157 A Q + 0 0 94 -2,-0.5 2,-1.2 -3,-0.2 -1,-0.1 0.804 63.0 63.9-104.8 -41.6 0.9 -9.9 3.4 66 158 A K + 0 0 139 6,-0.1 -1,-0.2 5,-0.0 5,-0.1 -0.729 67.4 175.1 -88.3 93.3 0.5 -10.5 7.1 67 159 A I > - 0 0 0 -2,-1.2 3,-1.8 3,-0.1 5,-0.2 -0.902 33.7-116.1-102.3 121.9 1.6 -7.1 8.6 68 160 A P T 3 S+ 0 0 13 0, 0.0 72,-0.2 0, 0.0 3,-0.1 -0.339 99.0 24.0 -59.2 123.0 1.2 -6.8 12.4 69 161 A G T 3 S+ 0 0 18 1,-0.3 2,-0.4 -2,-0.2 68,-0.0 0.274 100.8 107.0 106.3 -6.9 -1.2 -4.0 13.4 70 162 A L < - 0 0 19 -3,-1.8 2,-1.6 74,-0.0 -1,-0.3 -0.903 69.2-132.9-114.3 130.8 -3.1 -4.2 10.1 71 163 A K - 0 0 213 -2,-0.4 -5,-0.0 -3,-0.1 2,-0.0 -0.572 39.3-171.6 -79.9 84.0 -6.6 -5.7 9.5 72 164 A E + 0 0 41 -2,-1.6 -6,-0.1 -5,-0.2 -16,-0.0 -0.232 42.4 32.2 -77.8 161.6 -6.0 -7.7 6.4 73 165 A K - 0 0 159 -21,-0.1 -1,-0.1 2,-0.1 -20,-0.1 0.981 63.2-146.3 63.2 87.4 -8.3 -9.6 4.1 74 166 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.313 59.1 -51.5 -65.7 165.5 -11.8 -8.1 3.6 75 167 A D > - 0 0 92 1,-0.2 4,-2.4 3,-0.1 5,-0.2 -0.161 50.8-145.2 -43.3 114.4 -14.7 -10.7 3.1 76 168 A P H > S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.833 103.9 51.1 -54.7 -32.1 -13.4 -12.9 0.3 77 169 A K H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.920 106.3 52.6 -69.0 -45.3 -17.0 -13.1 -0.8 78 170 A T H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 111.5 47.5 -59.6 -35.9 -17.3 -9.3 -0.7 79 171 A V H X S+ 0 0 19 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.940 104.9 60.0 -68.7 -48.1 -14.3 -9.2 -2.9 80 172 A E H X S+ 0 0 144 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.910 113.9 36.4 -42.4 -53.1 -15.7 -11.8 -5.3 81 173 A E H X S+ 0 0 136 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.833 112.5 55.8 -78.1 -33.8 -18.7 -9.6 -6.0 82 174 A V H X S+ 0 0 8 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.856 102.8 58.5 -67.3 -33.3 -17.0 -6.2 -6.0 83 175 A D H >X S+ 0 0 34 -4,-2.7 4,-3.5 2,-0.2 3,-0.7 0.928 106.9 50.6 -54.1 -45.2 -14.6 -7.6 -8.6 84 176 A G H 3< S+ 0 0 38 -4,-1.0 4,-0.5 -5,-0.3 -2,-0.2 0.963 105.4 49.6 -59.6 -60.4 -17.7 -8.2 -10.7 85 177 A K H 3< S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.558 123.0 39.8 -60.8 -5.2 -19.4 -4.8 -10.5 86 178 A L H << S+ 0 0 6 -3,-0.7 -2,-0.2 -4,-0.5 3,-0.2 0.809 107.6 52.7-102.5 -67.8 -16.0 -3.5 -11.5 87 179 A K S < S+ 0 0 118 -4,-3.5 -2,-0.1 1,-0.3 -3,-0.1 0.294 103.4 66.8 -62.9 14.8 -14.5 -5.8 -14.1 88 180 A S S S+ 0 0 87 -4,-0.5 -1,-0.3 -5,-0.2 -4,-0.0 -0.460 80.0 124.0-126.9 57.6 -17.7 -5.2 -16.0 89 181 A L - 0 0 45 1,-0.2 5,-0.1 -3,-0.2 -3,-0.1 -0.747 65.1 -74.5-119.0 164.4 -17.3 -1.6 -16.8 90 182 A P > - 0 0 65 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.082 46.8-104.4 -48.4 161.6 -17.2 0.7 -19.9 91 183 A K T >4 S+ 0 0 170 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.967 123.2 45.3 -49.3 -56.7 -14.3 0.8 -22.3 92 184 A E G >4 S+ 0 0 60 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.779 109.3 55.8 -62.0 -31.4 -13.2 4.1 -20.9 93 185 A L G >4 S+ 0 0 46 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.780 89.0 71.0 -79.6 -28.2 -13.6 3.1 -17.2 94 186 A K G XX S+ 0 0 158 -4,-1.5 4,-1.0 -3,-0.6 3,-0.9 0.798 91.0 66.4 -56.8 -26.5 -11.4 0.1 -17.2 95 187 A R H X> S+ 0 0 158 -3,-0.6 4,-1.7 -4,-0.5 3,-0.8 0.929 95.6 50.9 -62.1 -48.4 -8.5 2.5 -17.5 96 188 A Y H <> S+ 0 0 91 -3,-0.6 4,-1.0 -4,-0.5 -1,-0.3 0.557 103.1 65.1 -69.2 -6.0 -9.0 4.1 -14.1 97 189 A L H <> S+ 0 0 20 -3,-0.9 4,-1.8 -4,-0.5 -1,-0.2 0.824 100.7 46.4 -83.8 -36.5 -9.0 0.5 -12.7 98 190 A H H X S+ 0 0 91 -4,-1.8 4,-3.1 1,-0.2 3,-1.4 0.928 109.8 54.0 -68.0 -48.6 -4.2 -0.8 -8.8 102 194 A E H 3X S+ 0 0 84 -4,-3.0 4,-1.6 1,-0.3 -1,-0.2 0.812 109.4 50.8 -56.2 -31.7 -0.9 0.9 -9.6 103 195 A G H 3X S+ 0 0 0 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.3 0.635 113.5 45.2 -80.7 -15.3 -1.6 3.3 -6.8 104 196 A E H <> S+ 0 0 4 -3,-1.4 4,-1.5 -4,-0.5 -2,-0.2 0.793 111.5 49.1 -96.9 -37.1 -2.4 0.5 -4.4 105 197 A A H X S+ 0 0 24 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.902 112.0 52.7 -64.1 -41.8 0.6 -1.7 -5.4 106 198 A A H X S+ 0 0 10 -4,-1.6 4,-3.0 -5,-0.3 5,-0.2 0.942 106.0 52.3 -55.8 -51.0 2.6 1.5 -4.9 107 199 A R H X S+ 0 0 6 -4,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.843 110.8 49.0 -56.0 -34.3 1.1 2.0 -1.4 108 200 A Q H X S+ 0 0 7 -4,-1.5 4,-3.5 2,-0.2 5,-0.2 0.929 111.9 46.0 -73.6 -45.8 2.2 -1.6 -0.6 109 201 A H H X S+ 0 0 110 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.899 111.9 53.6 -60.5 -39.5 5.7 -1.2 -1.8 110 202 A L H X S+ 0 0 1 -4,-3.0 4,-0.6 -5,-0.2 -1,-0.2 0.783 114.3 42.3 -64.9 -29.1 5.8 2.1 0.1 111 203 A I H >< S+ 0 0 2 -4,-1.1 3,-0.8 -5,-0.2 -2,-0.2 0.935 112.3 51.0 -80.4 -54.0 4.7 0.3 3.2 112 204 A E H >< S+ 0 0 15 -4,-3.5 3,-1.5 1,-0.3 4,-0.4 0.880 106.4 56.9 -50.7 -42.8 6.9 -2.8 2.8 113 205 A A H 3< S+ 0 0 13 -4,-2.3 3,-0.5 1,-0.3 4,-0.4 0.865 109.5 44.6 -59.6 -37.5 10.0 -0.6 2.4 114 206 A N T << S+ 0 0 5 -3,-0.8 4,-0.5 -4,-0.6 -1,-0.3 0.137 81.7 97.6-100.4 21.3 9.5 1.2 5.7 115 207 A L S <> S+ 0 0 0 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.827 87.6 46.9 -73.1 -33.2 8.7 -1.8 7.9 116 208 A R H > S+ 0 0 88 -3,-0.5 4,-2.6 -4,-0.4 5,-0.2 0.894 102.7 61.2 -75.2 -41.5 12.3 -2.0 9.1 117 209 A L H > S+ 0 0 45 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.793 109.2 48.1 -48.5 -27.1 12.4 1.7 9.8 118 210 A V H > S+ 0 0 0 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.888 106.0 52.3 -85.0 -43.8 9.6 0.7 12.2 119 211 A V H X S+ 0 0 7 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.873 111.5 50.5 -58.1 -36.3 11.3 -2.2 13.8 120 212 A S H < S+ 0 0 42 -4,-2.6 4,-0.2 2,-0.2 -1,-0.2 0.928 109.7 47.3 -69.0 -47.0 14.2 0.1 14.6 121 213 A I H >< S+ 0 0 4 -4,-1.2 3,-1.7 -5,-0.2 -2,-0.2 0.922 111.8 51.0 -61.3 -44.3 12.2 2.9 16.1 122 214 A A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 4,-0.4 0.777 95.5 71.6 -63.3 -28.1 10.3 0.4 18.3 123 215 A K T 3< S+ 0 0 134 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.607 94.9 56.2 -62.0 -10.4 13.7 -1.0 19.4 124 216 A K T < S+ 0 0 126 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.182 102.9 52.3-108.7 15.1 14.0 2.2 21.4 125 217 A Y S X S+ 0 0 10 -3,-1.9 3,-0.6 5,-0.0 5,-0.3 0.298 79.0 120.6-131.2 4.2 10.8 1.9 23.4 126 218 A T T 3 + 0 0 69 -4,-0.4 5,-0.1 1,-0.2 -3,-0.0 -0.143 61.5 40.5 -65.6 166.2 11.3 -1.6 24.8 127 219 A G T 3 S+ 0 0 86 3,-0.4 -1,-0.2 1,-0.1 4,-0.1 0.706 85.4 105.9 64.1 21.0 11.3 -2.2 28.6 128 220 A R S < S- 0 0 138 -3,-0.6 3,-0.1 2,-0.5 -2,-0.1 0.021 107.4 -82.5-116.7 24.5 8.5 0.3 29.1 129 221 A G S S+ 0 0 76 1,-0.2 2,-0.5 0, 0.0 -3,-0.1 -0.050 106.0 97.7 104.0 -31.1 5.7 -2.2 29.7 130 222 A L S S- 0 0 32 -5,-0.3 -2,-0.5 1,-0.0 -3,-0.4 -0.800 71.9-126.3 -98.2 130.2 5.0 -3.0 26.1 131 223 A S > - 0 0 62 -2,-0.5 4,-1.7 -5,-0.1 5,-0.2 -0.243 30.4-103.3 -67.1 158.1 6.5 -6.1 24.4 132 224 A F H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.913 121.8 50.8 -47.1 -51.1 8.5 -5.8 21.2 133 225 A L H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 106.0 53.3 -55.7 -50.7 5.5 -7.1 19.2 134 226 A D H > S+ 0 0 60 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.817 109.9 50.1 -55.5 -33.6 3.0 -4.6 20.7 135 227 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.5 -1,-0.2 0.915 107.3 52.7 -72.1 -44.0 5.3 -1.8 19.7 136 228 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.871 108.1 52.4 -57.3 -38.7 5.6 -3.0 16.1 137 229 A Q H X S+ 0 0 61 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.831 112.7 43.5 -69.1 -33.5 1.8 -3.1 15.9 138 230 A E H X S+ 0 0 64 -4,-1.2 4,-1.2 -3,-0.2 -2,-0.2 0.840 114.8 50.1 -79.8 -35.9 1.6 0.5 17.1 139 231 A G H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.948 108.2 52.3 -63.7 -49.7 4.4 1.6 14.9 140 232 A N H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.887 109.6 48.2 -55.6 -44.2 3.0 -0.1 11.8 141 233 A Q H X S+ 0 0 79 -4,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.803 109.6 54.7 -67.1 -28.5 -0.3 1.7 12.3 142 234 A G H X S+ 0 0 0 -4,-1.2 4,-1.0 2,-0.2 -2,-0.3 0.826 108.1 48.8 -67.3 -33.7 1.8 4.8 12.7 143 235 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.869 109.7 52.2 -72.4 -38.4 3.3 4.0 9.3 144 236 A I H X S+ 0 0 22 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.951 108.2 49.4 -60.9 -51.8 -0.2 3.5 7.8 145 237 A R H X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.821 111.5 53.8 -56.1 -29.5 -1.3 6.9 9.1 146 238 A A H X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.955 105.1 48.0 -73.5 -53.2 1.8 8.3 7.6 147 239 A V H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 116.2 49.1 -56.0 -30.2 1.5 7.0 4.0 148 240 A E H < S+ 0 0 77 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.926 112.3 41.8 -77.8 -47.7 -2.1 8.3 4.1 149 241 A K H < S+ 0 0 109 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 0.441 90.6 119.1 -82.4 1.9 -1.6 11.9 5.4 150 242 A F < - 0 0 25 -4,-0.9 2,-0.8 -3,-0.1 3,-0.1 -0.455 56.0-145.9 -77.8 138.7 1.4 12.4 3.2 151 243 A E > - 0 0 102 -2,-0.2 3,-1.0 1,-0.1 5,-0.3 -0.841 12.8-176.0-103.5 97.3 1.5 15.2 0.5 152 244 A Y T 3 S+ 0 0 57 -2,-0.8 -1,-0.1 1,-0.3 -125,-0.1 0.740 73.5 83.1 -60.8 -22.2 3.6 14.0 -2.4 153 245 A K T 3 S+ 0 0 168 -3,-0.1 2,-0.3 -127,-0.1 -1,-0.3 0.243 85.0 68.8 -73.2 15.3 3.1 17.4 -3.9 154 246 A R S < S- 0 0 161 -3,-1.0 2,-2.6 2,-0.1 -3,-0.0 -0.996 88.7-111.6-139.5 149.1 6.0 18.8 -1.9 155 247 A G S S+ 0 0 86 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.205 73.7 119.2 -72.4 50.4 9.8 18.4 -1.8 156 248 A F - 0 0 84 -2,-2.6 2,-0.2 -5,-0.3 -2,-0.1 -0.870 65.3-110.1-115.5 152.3 10.0 16.6 1.6 157 249 A A > - 0 0 24 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.501 12.3-145.7 -79.7 145.6 11.3 13.1 2.3 158 250 A F H > S+ 0 0 2 -139,-0.3 4,-3.0 2,-0.2 5,-0.3 0.889 96.5 59.6 -75.4 -40.5 8.9 10.3 3.3 159 251 A S H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.834 108.4 46.4 -57.4 -34.9 11.4 8.6 5.7 160 252 A T H > S+ 0 0 78 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.955 115.5 43.2 -73.3 -53.5 11.5 11.7 7.8 161 253 A Y H >X S+ 0 0 44 -4,-1.4 4,-1.1 1,-0.2 3,-1.0 0.979 113.4 52.4 -50.9 -62.6 7.8 12.4 7.9 162 254 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 5,-0.3 0.832 99.7 63.7 -44.6 -45.2 7.0 8.8 8.5 163 255 A T H 3X S+ 0 0 43 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.3 0.924 100.3 52.6 -48.7 -50.4 9.4 8.6 11.5 164 256 A W H X S+ 0 0 119 -4,-2.9 4,-2.3 -5,-0.3 3,-0.8 0.986 112.6 35.5 -56.3 -75.3 7.1 7.8 16.9 168 260 A Q H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.610 114.2 60.7 -65.2 -10.9 4.2 9.5 18.6 169 261 A A H 3X S+ 0 0 7 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.3 0.877 108.7 43.0 -76.7 -42.1 2.0 6.5 17.7 170 262 A I H > - 0 0 102 1,-0.2 3,-1.6 3,-0.1 4,-1.5 0.061 360.0-131.6 -34.7 115.9 8.4 58.2 40.9 183 95 B P H 3> S+ 0 0 103 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.760 105.5 55.7 -43.0 -37.1 10.7 55.5 39.5 184 96 B V H 3> S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.845 103.8 52.9 -69.1 -35.4 8.9 52.8 41.6 185 97 B R H <> S+ 0 0 148 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.862 108.2 53.5 -64.0 -35.5 5.5 53.7 40.2 186 98 B Q H X S+ 0 0 74 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.938 108.9 47.2 -61.7 -49.8 7.1 53.2 36.8 187 99 B Y H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.904 108.3 54.3 -62.1 -44.9 8.3 49.7 37.7 188 100 B L H X S+ 0 0 56 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.861 111.2 47.8 -58.3 -36.2 5.0 48.7 39.1 189 101 B H H >X S+ 0 0 104 -4,-1.5 3,-1.1 2,-0.2 4,-0.9 0.961 108.4 53.2 -65.1 -53.0 3.4 49.7 35.8 190 102 B E H 3< S+ 0 0 89 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.823 111.7 44.1 -55.5 -39.6 6.0 47.9 33.6 191 103 B I H >< S+ 0 0 4 -4,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.602 100.9 71.4 -82.7 -12.6 5.5 44.5 35.4 192 104 B G H << S+ 0 0 34 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.824 96.5 51.2 -68.2 -30.7 1.7 45.1 35.3 193 105 B E T 3< S+ 0 0 144 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.2 0.495 85.7 111.5 -85.4 -5.6 1.7 44.5 31.6 194 106 B V S < S- 0 0 24 -3,-0.6 2,-0.4 -4,-0.1 102,-0.0 -0.549 71.1-121.8 -77.2 131.4 3.7 41.2 31.9 195 107 B L - 0 0 138 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.565 20.7-129.7 -77.3 125.2 1.8 38.1 31.0 196 108 B E - 0 0 150 -2,-0.4 2,-0.3 1,-0.1 98,-0.1 -0.410 25.6-138.4 -68.7 148.7 1.5 35.4 33.7 197 109 B L - 0 0 73 1,-0.1 -1,-0.1 -2,-0.1 2,-0.0 -0.759 10.0-114.2-113.8 159.1 2.5 31.9 32.6 198 110 B D > - 0 0 97 -2,-0.3 4,-1.4 1,-0.0 -1,-0.1 -0.204 38.0 -89.7 -84.9 177.2 1.0 28.4 33.3 199 111 B K H >> S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 3,-1.2 0.956 122.1 35.3 -49.8 -73.5 2.4 25.5 35.2 200 112 B W H 3> S+ 0 0 193 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.784 109.9 66.6 -57.6 -29.4 4.2 23.5 32.5 201 113 B A H 3> S+ 0 0 43 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.874 102.2 46.5 -60.7 -37.6 5.3 26.8 30.8 202 114 B E H S+ 0 0 81 -4,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.786 107.7 56.0 -80.3 -29.5 15.4 25.2 28.7 209 121 B V H X S+ 0 0 6 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.900 109.7 43.8 -69.6 -43.2 17.5 27.1 31.2 210 122 B E H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.866 109.8 55.8 -70.9 -36.5 19.6 24.1 32.2 211 123 B E H X S+ 0 0 101 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.782 108.4 51.0 -62.5 -24.4 20.0 23.0 28.6 212 124 B G H X S+ 0 0 0 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.776 110.9 45.9 -82.7 -29.2 21.4 26.5 28.1 213 125 B M H X S+ 0 0 41 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.695 106.8 57.9 -86.2 -21.8 23.8 26.0 31.0 214 126 B E H X S+ 0 0 101 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.796 109.6 48.0 -68.0 -28.8 24.8 22.6 29.7 215 127 B A H X S+ 0 0 3 -4,-0.6 4,-2.5 -5,-0.2 -2,-0.2 0.768 107.0 53.6 -84.6 -30.6 25.7 24.5 26.6 216 128 B I H X S+ 0 0 4 -4,-1.1 4,-3.3 2,-0.2 5,-0.2 0.959 102.5 58.3 -64.1 -51.9 27.7 27.2 28.4 217 129 B K H X S+ 0 0 77 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.846 111.5 43.4 -45.3 -40.2 29.8 24.5 30.1 218 130 B K H X S+ 0 0 68 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.947 110.2 52.1 -73.4 -50.4 30.7 23.4 26.6 219 131 B L H X S+ 0 0 4 -4,-2.5 4,-1.6 1,-0.2 6,-0.4 0.841 113.7 49.0 -52.9 -33.1 31.3 26.9 25.2 220 132 B S H X S+ 0 0 21 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.971 104.9 54.7 -66.5 -57.8 33.6 27.2 28.3 221 133 B E H < S+ 0 0 121 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.679 120.7 34.6 -52.8 -19.9 35.4 23.9 27.7 222 134 B A H < S+ 0 0 49 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.843 120.4 38.7 -96.3 -77.9 36.2 25.2 24.2 223 135 B T H < S- 0 0 18 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.742 101.5-128.0 -47.8 -27.9 36.7 29.0 24.2 224 136 B G < + 0 0 61 -4,-2.5 -1,-0.2 -5,-0.4 -4,-0.1 0.458 60.6 138.0 92.2 3.1 38.5 28.5 27.6 225 137 B L - 0 0 33 -6,-0.4 -1,-0.3 -5,-0.2 2,-0.1 -0.412 63.7 -90.8 -85.2 157.3 36.5 31.2 29.3 226 138 B D > - 0 0 100 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.419 35.8-126.1 -61.1 133.5 35.0 31.1 32.8 227 139 B Q H >> S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 3,-0.9 0.946 110.1 46.6 -45.9 -59.6 31.5 29.7 32.7 228 140 B E H 3> S+ 0 0 67 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.845 106.4 59.0 -56.2 -37.4 29.9 32.6 34.5 229 141 B L H 3> S+ 0 0 48 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.881 109.6 44.5 -59.5 -36.7 31.8 35.0 32.3 230 142 B I H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 3,-0.7 0.958 114.7 48.7 -64.4 -52.8 25.0 35.8 26.8 235 147 B R H 3X S+ 0 0 52 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.880 105.1 62.5 -51.3 -38.8 22.5 37.3 29.3 236 148 B A H 3X S+ 0 0 27 -4,-0.9 4,-0.5 -5,-0.3 -1,-0.2 0.901 107.0 42.0 -54.2 -44.4 23.9 40.6 28.2 237 149 B K H X< S+ 0 0 88 -4,-1.4 3,-0.7 -3,-0.7 4,-0.4 0.957 116.6 45.7 -69.0 -54.6 22.7 40.0 24.6 238 150 B I H >< S+ 0 0 21 -4,-2.2 3,-2.5 1,-0.3 4,-0.2 0.948 108.3 55.8 -52.3 -56.1 19.3 38.6 25.5 239 151 B L H >< S+ 0 0 16 -4,-3.0 3,-1.3 1,-0.3 -1,-0.3 0.766 90.6 81.3 -50.2 -24.9 18.6 41.3 28.0 240 152 B G T << S+ 0 0 44 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.856 104.4 26.0 -45.8 -41.7 19.3 43.5 25.0 241 153 B T T < S+ 0 0 129 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.075 90.9 128.2-118.5 23.9 15.7 43.0 23.9 242 154 B A < - 0 0 18 -3,-1.3 3,-0.2 -4,-0.2 -3,-0.0 -0.478 61.8-130.7 -79.2 151.9 13.8 42.2 27.1 243 155 B A S S+ 0 0 84 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.870 103.7 37.3 -65.9 -37.6 10.6 44.1 28.0 244 156 B I + 0 0 2 1,-0.1 -1,-0.3 44,-0.0 3,-0.1 -0.943 63.6 152.5-121.5 109.6 12.1 44.7 31.5 245 157 B Q + 0 0 94 -2,-0.5 2,-1.2 -3,-0.2 -1,-0.1 0.806 63.3 63.4-104.2 -42.2 15.8 45.3 31.6 246 158 B K + 0 0 138 6,-0.1 -1,-0.2 5,-0.0 5,-0.1 -0.727 67.3 174.8 -88.7 92.8 16.3 47.4 34.8 247 159 B I > - 0 0 0 -2,-1.2 3,-1.8 3,-0.1 5,-0.2 -0.902 34.3-115.1-102.4 121.7 15.1 45.0 37.5 248 160 B P T 3 S+ 0 0 15 0, 0.0 72,-0.2 0, 0.0 73,-0.1 -0.318 98.9 23.2 -58.2 122.7 15.6 46.2 41.1 249 161 B G T 3 S+ 0 0 17 1,-0.3 2,-0.5 -2,-0.1 68,-0.0 0.296 100.4 107.3 105.5 -6.2 18.1 44.2 43.1 250 162 B L < - 0 0 20 -3,-1.8 2,-1.6 74,-0.0 -1,-0.3 -0.906 69.4-132.3-113.8 130.8 19.9 42.9 40.1 251 163 B K - 0 0 217 -2,-0.5 -5,-0.0 -3,-0.1 2,-0.0 -0.563 39.4-171.5 -79.7 83.9 23.4 44.0 38.9 252 164 B E + 0 0 43 -2,-1.6 -6,-0.1 -5,-0.2 -16,-0.0 -0.230 42.5 32.0 -77.8 161.8 22.7 44.6 35.2 253 165 B K - 0 0 161 -21,-0.1 -1,-0.1 2,-0.1 -20,-0.1 0.981 63.2-146.3 63.0 87.5 25.1 45.3 32.4 254 166 B P - 0 0 39 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.314 59.0 -51.5 -65.8 165.6 28.6 43.8 32.5 255 167 B D > - 0 0 93 1,-0.2 4,-2.4 3,-0.1 5,-0.2 -0.157 50.6-145.3 -43.1 114.3 31.4 45.9 31.0 256 168 B P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.840 103.9 51.0 -54.4 -32.8 30.1 46.7 27.5 257 169 B K H > S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.918 106.5 52.4 -68.6 -45.4 33.7 46.4 26.4 258 170 B T H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 111.6 47.6 -59.3 -35.7 34.1 43.0 28.1 259 171 B V H X S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.936 104.9 59.9 -69.5 -47.3 31.0 42.0 26.1 260 172 B E H X S+ 0 0 142 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.916 113.8 36.4 -42.9 -53.3 32.4 43.4 22.9 261 173 B E H X S+ 0 0 138 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.838 112.5 55.9 -77.9 -33.9 35.4 41.1 23.1 262 174 B V H X S+ 0 0 8 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.862 102.6 58.3 -66.9 -34.6 33.7 38.0 24.6 263 175 B D H >X S+ 0 0 35 -4,-2.8 4,-3.4 2,-0.2 3,-0.7 0.921 107.0 50.9 -52.7 -44.9 31.3 38.1 21.6 264 176 B G H 3< S+ 0 0 38 -4,-1.0 4,-0.5 -5,-0.3 -2,-0.2 0.969 105.2 49.5 -60.1 -60.7 34.4 37.8 19.4 265 177 B K H 3< S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.567 123.0 40.0 -60.6 -5.1 36.1 34.8 21.1 266 178 B L H << S+ 0 0 5 -3,-0.7 -2,-0.2 -4,-0.5 3,-0.2 0.814 107.3 52.7-102.4 -67.9 32.6 33.2 20.7 267 179 B K S < S+ 0 0 117 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.1 0.291 103.4 67.0 -62.4 14.8 31.1 34.2 17.4 268 180 B S S S+ 0 0 88 -4,-0.5 -1,-0.3 -5,-0.2 -4,-0.0 -0.461 80.0 124.1-126.9 57.8 34.3 32.9 15.8 269 181 B L - 0 0 45 1,-0.2 5,-0.1 -3,-0.2 -3,-0.1 -0.742 65.1 -74.5-119.0 164.5 33.9 29.2 16.7 270 182 B P > - 0 0 66 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.082 46.8-104.4 -48.5 162.2 33.8 25.9 14.8 271 183 B K T >4 S+ 0 0 179 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.966 123.2 45.2 -50.1 -56.2 30.8 24.9 12.6 272 184 B E G >4 S+ 0 0 61 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.783 109.3 55.9 -62.2 -31.5 29.7 22.4 15.3 273 185 B L G >4 S+ 0 0 46 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.776 89.0 71.1 -79.4 -27.6 30.2 24.8 18.2 274 186 B K G XX S+ 0 0 154 -4,-1.5 4,-1.1 -3,-0.6 3,-0.9 0.804 91.0 66.4 -57.2 -26.7 28.0 27.6 17.0 275 187 B R H X> S+ 0 0 157 -3,-0.6 4,-1.7 -4,-0.5 3,-0.8 0.932 95.8 50.6 -62.0 -48.9 25.1 25.2 17.8 276 188 B Y H <> S+ 0 0 87 -3,-0.5 4,-1.0 -4,-0.5 -1,-0.3 0.559 103.1 65.3 -68.9 -5.9 25.6 25.3 21.6 277 189 B L H <> S+ 0 0 21 -3,-0.9 4,-1.7 -4,-0.5 -1,-0.2 0.833 100.8 46.2 -83.6 -36.8 25.6 29.1 21.3 278 190 B H H X S+ 0 0 90 -4,-1.7 4,-3.0 1,-0.2 3,-1.5 0.923 109.6 54.5 -69.5 -47.5 20.9 31.9 24.3 282 194 B E H 3X S+ 0 0 83 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.818 109.3 50.4 -57.6 -32.0 17.5 30.1 24.3 283 195 B G H 3X S+ 0 0 0 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.3 0.611 113.3 45.8 -80.4 -13.6 18.3 29.0 27.9 284 196 B E H <> S+ 0 0 4 -3,-1.5 4,-1.5 -4,-0.4 -2,-0.2 0.785 111.5 48.8 -97.8 -36.7 19.0 32.6 28.9 285 197 B A H X S+ 0 0 24 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.904 112.0 52.6 -64.7 -43.0 16.0 34.2 27.1 286 198 B A H X S+ 0 0 11 -4,-1.7 4,-2.9 -5,-0.3 5,-0.2 0.945 106.2 52.2 -54.3 -51.7 14.0 31.5 28.9 287 199 B R H X S+ 0 0 6 -4,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.836 110.9 48.9 -55.9 -33.6 15.6 32.5 32.2 288 200 B Q H X S+ 0 0 7 -4,-1.5 4,-3.5 2,-0.2 5,-0.2 0.935 112.0 45.9 -74.1 -45.7 14.6 36.1 31.5 289 201 B H H X S+ 0 0 114 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.889 111.9 53.5 -60.8 -38.0 11.0 35.2 30.6 290 202 B L H X S+ 0 0 2 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.779 114.3 42.2 -67.2 -28.3 10.9 33.0 33.7 291 203 B I H >< S+ 0 0 2 -4,-1.0 3,-0.9 -5,-0.2 -2,-0.2 0.936 112.4 50.9 -80.8 -54.6 12.0 36.0 35.8 292 204 B E H >< S+ 0 0 15 -4,-3.5 3,-1.6 1,-0.3 4,-0.4 0.885 106.3 57.1 -48.8 -44.5 9.8 38.6 34.2 293 205 B A H 3< S+ 0 0 13 -4,-2.3 3,-0.5 1,-0.3 4,-0.4 0.855 109.5 44.4 -58.9 -36.3 6.7 36.4 34.7 294 206 B N T S+ 0 0 0 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.825 87.4 46.8 -74.2 -32.2 8.0 39.9 39.1 296 208 B R H > S+ 0 0 89 -3,-0.5 4,-2.6 -4,-0.4 5,-0.3 0.892 102.7 61.5 -76.2 -41.1 4.5 40.6 40.2 297 209 B L H > S+ 0 0 44 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.795 109.0 48.0 -48.9 -27.2 4.4 37.4 42.4 298 210 B V H X S+ 0 0 0 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.884 106.1 52.2 -84.8 -43.3 7.2 39.3 44.1 299 211 B V H X S+ 0 0 7 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.862 111.4 50.7 -59.3 -34.9 5.5 42.7 44.4 300 212 B S H < S+ 0 0 42 -4,-2.6 4,-0.2 2,-0.2 -1,-0.2 0.930 109.7 47.2 -70.0 -47.0 2.6 40.9 46.1 301 213 B I H >< S+ 0 0 4 -4,-1.2 3,-1.8 -5,-0.3 -2,-0.2 0.929 111.9 51.0 -61.1 -45.5 4.7 39.0 48.6 302 214 B A H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 4,-0.4 0.783 95.5 71.6 -62.0 -28.4 6.5 42.2 49.5 303 215 B K T 3< S+ 0 0 134 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.616 95.0 56.3 -61.7 -10.4 3.2 44.0 50.0 304 216 B K T < S+ 0 0 128 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.187 102.8 51.9-108.9 15.0 2.9 41.8 53.1 305 217 B Y S X S+ 0 0 9 -3,-2.0 3,-0.6 5,-0.0 5,-0.3 0.301 79.0 120.6-131.8 4.4 6.1 43.0 54.8 306 218 B T T 3 + 0 0 69 -4,-0.4 5,-0.1 1,-0.2 -3,-0.0 -0.135 61.5 41.0 -64.8 166.2 5.6 46.7 54.7 307 219 B G T 3 S+ 0 0 84 3,-0.4 -1,-0.2 1,-0.1 4,-0.1 0.697 85.3 106.1 64.5 20.1 5.6 48.9 57.8 308 220 B R S < S- 0 0 136 -3,-0.6 3,-0.1 2,-0.5 -2,-0.1 0.037 107.3 -82.6-115.5 24.2 8.4 46.8 59.3 309 221 B G S S+ 0 0 74 1,-0.2 2,-0.5 0, 0.0 -3,-0.1 -0.062 106.2 97.7 103.9 -31.5 11.2 49.3 58.9 310 222 B L S S- 0 0 30 -5,-0.3 -2,-0.5 1,-0.0 -3,-0.4 -0.798 72.1-126.2 -98.4 130.3 11.9 48.5 55.2 311 223 B S > - 0 0 60 -2,-0.5 4,-1.7 -5,-0.1 5,-0.2 -0.250 30.2-103.7 -68.0 157.5 10.4 50.6 52.4 312 224 B F H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.910 121.8 50.7 -46.7 -51.2 8.4 49.0 49.6 313 225 B L H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 106.1 53.3 -55.0 -51.0 11.4 49.3 47.2 314 226 B D H > S+ 0 0 60 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.815 109.9 50.2 -56.0 -32.8 13.9 47.7 49.6 315 227 B L H X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.5 3,-0.3 0.922 107.1 52.6 -72.5 -44.3 11.6 44.8 49.9 316 228 B I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.868 108.1 52.8 -57.3 -37.7 11.2 44.4 46.1 317 229 B Q H X S+ 0 0 62 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.835 112.5 43.4 -69.9 -33.4 15.0 44.3 45.9 318 230 B E H X S+ 0 0 65 -4,-1.2 4,-1.4 -3,-0.3 -2,-0.2 0.845 114.6 50.5 -80.1 -35.7 15.3 41.6 48.4 319 231 B G H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.950 108.0 52.3 -63.8 -49.8 12.4 39.7 46.9 320 232 B N H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.884 109.4 48.3 -55.6 -43.7 13.8 39.9 43.4 321 233 B Q H X S+ 0 0 79 -4,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.826 109.6 54.5 -66.5 -30.7 17.1 38.5 44.6 322 234 B G H X S+ 0 0 0 -4,-1.4 4,-1.0 2,-0.2 -2,-0.3 0.841 108.0 49.0 -65.4 -34.3 15.0 35.8 46.3 323 235 B L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.870 109.7 52.2 -72.2 -38.3 13.5 35.2 42.8 324 236 B I H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.956 108.0 49.4 -60.7 -52.8 16.9 35.0 41.3 325 237 B R H X S+ 0 0 89 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.825 111.5 54.0 -55.0 -29.7 18.1 32.4 43.8 326 238 B A H X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.955 105.0 47.9 -73.0 -53.3 14.9 30.5 43.0 327 239 B V H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 116.2 49.3 -56.4 -29.8 15.3 30.2 39.3 328 240 B E H < S+ 0 0 76 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.937 112.1 41.9 -77.4 -48.7 18.9 29.1 39.9 329 241 B K H < S+ 0 0 111 -4,-2.1 -1,-0.2 -5,-0.2 2,-0.2 0.444 90.6 119.2 -81.7 1.9 18.4 26.4 42.5 330 242 B F < - 0 0 26 -4,-0.9 2,-0.8 -3,-0.1 3,-0.1 -0.444 55.9-146.1 -77.8 138.9 15.3 24.9 40.8 331 243 B E > - 0 0 101 -2,-0.2 3,-1.0 1,-0.1 5,-0.3 -0.847 12.6-175.8-104.1 97.5 15.2 21.3 39.5 332 244 B Y T 3 S+ 0 0 56 -2,-0.8 -1,-0.1 1,-0.3 -125,-0.1 0.730 73.4 83.4 -60.5 -22.0 13.1 21.2 36.3 333 245 B K T 3 S+ 0 0 167 -3,-0.1 2,-0.3 -127,-0.1 -1,-0.3 0.241 84.9 68.2 -73.5 15.5 13.6 17.4 36.4 334 246 B R S < S- 0 0 168 -3,-1.0 2,-2.6 2,-0.1 -3,-0.0 -0.996 88.7-111.9-139.6 148.9 10.7 17.0 38.9 335 247 B G S S+ 0 0 87 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.205 73.4 119.5 -73.6 51.6 6.9 17.5 38.8 336 248 B F - 0 0 81 -2,-2.6 2,-0.2 -5,-0.3 -2,-0.1 -0.873 65.3-109.6-115.4 152.3 6.7 20.5 41.1 337 249 B A > - 0 0 24 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.497 12.5-145.8 -79.7 145.4 5.4 24.0 40.3 338 250 B F H > S+ 0 0 1 -139,-0.3 4,-2.9 2,-0.2 5,-0.3 0.895 96.5 59.4 -75.4 -41.2 7.8 26.9 40.0 339 251 B S H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 108.4 46.7 -56.1 -35.7 5.4 29.5 41.5 340 252 B T H > S+ 0 0 79 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.956 115.5 43.1 -72.9 -53.3 5.2 27.5 44.7 341 253 B Y H >X S+ 0 0 44 -4,-1.4 4,-1.1 1,-0.2 3,-1.1 0.981 113.3 52.4 -51.4 -63.5 9.0 26.9 45.1 342 254 B A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 5,-0.3 0.825 99.7 63.9 -43.1 -45.6 9.8 30.5 44.1 343 255 B T H 3X S+ 0 0 41 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.3 0.920 100.2 52.7 -48.7 -49.9 7.4 31.9 46.8 344 256 B W H X S+ 0 0 117 -4,-2.9 4,-2.3 -5,-0.3 3,-0.9 0.988 112.7 35.5 -57.4 -74.8 9.7 34.9 51.3 348 260 B Q H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.610 114.1 60.8 -65.9 -10.4 12.7 34.0 53.5 349 261 B A H 3X S+ 0 0 8 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.3 0.881 108.7 43.1 -76.9 -42.3 14.9 36.4 51.5 350 262 B I H XX S+ 0 0 0 -4,-1.8 4,-1.4 -3,-0.9 3,-0.6 0.958 117.4 44.1 -64.0 -54.2 12.6 39.3 52.4 351 263 B N H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.456 110.6 56.3 -76.7 0.2 12.3 38.3 56.1 352 264 B R H 34 S+ 0 0 159 -5,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.686 106.3 51.4 -89.9 -29.2 16.1 37.6 56.2 353 265 B A H << S+ 0 0 10 -4,-1.1 3,-0.4 -3,-0.6 -2,-0.2 0.780 112.2 44.1 -77.6 -30.0 16.6 41.2 55.0 354 266 B I S < S+ 0 0 28 -4,-1.4 -1,-0.2 1,-0.2 3,-0.2 0.339 109.9 58.4 -92.8 2.8 14.3 42.5 57.8 355 267 B A S S+ 0 0 71 -3,-0.2 -2,-0.2 -5,-0.2 -1,-0.2 0.290 86.4 80.9-105.6 2.8 16.1 40.1 60.1 356 268 B D 0 0 91 -3,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.071 360.0 360.0-100.0 32.0 19.4 41.8 59.3 357 269 B Q 0 0 152 -3,-0.2 -1,-0.2 0, 0.0 -4,-0.0 -0.157 360.0 360.0-131.9 360.0 18.8 44.7 61.6