==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 18-JUL-11 3SYN . COMPND 2 MOLECULE: FLAGELLAR BIOSYNTHESIS PROTEIN FLHF; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.BANGE,N.KUEMMERER,K.WILD,I.SINNING . 1096 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 792 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 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 . 62 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 4 8 0 12 12 0 0 4 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 0 8 4 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 . 2 4 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 4 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 1 109 A P 0 0 123 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.6 -19.8 -34.5 -38.1 2 110 A E >> + 0 0 124 2,-0.1 3,-1.6 3,-0.1 4,-0.6 0.854 360.0 9.2 -96.3 -87.5 -22.3 -35.5 -35.4 3 111 A P H >> S+ 0 0 19 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.812 119.7 71.2 -65.9 -24.1 -21.5 -35.0 -31.7 4 112 A L H 3> S+ 0 0 24 1,-0.3 4,-1.6 2,-0.2 -2,-0.1 0.693 90.7 60.3 -62.3 -17.5 -18.4 -33.0 -32.8 5 113 A R H <> S+ 0 0 155 -3,-1.6 4,-0.9 2,-0.2 -1,-0.3 0.839 106.0 47.3 -74.7 -33.2 -20.9 -30.4 -33.8 6 114 A K H XX S+ 0 0 66 -3,-1.0 4,-2.3 -4,-0.6 3,-0.8 0.949 110.4 49.6 -70.0 -52.8 -22.0 -30.3 -30.2 7 115 A A H 3X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.3 5,-0.2 0.893 108.8 54.6 -51.7 -41.4 -18.5 -30.1 -28.8 8 116 A E H 3X S+ 0 0 85 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.3 0.842 106.8 53.0 -60.2 -31.9 -18.0 -27.3 -31.3 9 117 A K H X S+ 0 0 25 -4,-2.3 4,-1.7 1,-0.3 3,-1.5 0.975 108.0 51.9 -45.6 -70.8 -19.7 -25.8 -26.1 11 119 A L H 3< S+ 0 0 0 -4,-1.8 5,-0.4 1,-0.3 -1,-0.3 0.770 105.3 60.5 -37.6 -33.9 -16.3 -24.3 -26.9 12 120 A Q H 3< S+ 0 0 88 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.932 104.1 46.9 -63.1 -46.1 -18.3 -21.5 -28.6 13 121 A E H << S+ 0 0 84 -3,-1.5 -2,-0.2 -4,-1.5 -1,-0.2 0.850 99.2 75.3 -70.1 -39.1 -20.1 -20.5 -25.4 14 122 A T S < S- 0 0 0 -4,-1.7 243,-0.1 1,-0.1 202,-0.1 -0.452 93.9-121.5 -65.2 151.7 -16.9 -20.5 -23.3 15 123 A G + 0 0 36 241,-0.1 -1,-0.1 -2,-0.1 -3,-0.1 0.109 59.5 146.7 -88.7 27.0 -14.9 -17.5 -24.2 16 124 A I - 0 0 6 -5,-0.4 2,-0.2 1,-0.1 203,-0.1 -0.087 53.9 -97.7 -58.8 159.7 -11.9 -19.4 -25.3 17 125 A K > - 0 0 59 201,-0.2 4,-3.1 1,-0.1 3,-0.2 -0.593 28.2-115.8 -85.2 147.7 -9.7 -18.0 -28.1 18 126 A E H > S+ 0 0 118 1,-0.3 4,-3.4 -2,-0.2 5,-0.3 0.857 113.0 53.5 -46.7 -55.6 -10.1 -19.2 -31.6 19 127 A S H > S+ 0 0 79 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.951 115.6 41.5 -42.5 -58.8 -6.6 -20.8 -31.9 20 128 A T H > S+ 0 0 14 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.940 112.1 53.9 -59.5 -50.3 -7.3 -22.7 -28.8 21 129 A K H >X S+ 0 0 13 -4,-3.1 4,-1.6 1,-0.2 3,-0.7 0.950 113.7 44.0 -47.8 -54.9 -10.9 -23.6 -29.8 22 130 A T H >X S+ 0 0 92 -4,-3.4 4,-2.3 1,-0.2 3,-0.6 0.957 109.6 53.0 -55.5 -57.9 -9.6 -25.0 -33.0 23 131 A N H 3X S+ 0 0 69 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.720 106.3 56.6 -56.3 -20.8 -6.7 -26.9 -31.7 24 132 A T H < S+ 0 0 14 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.846 107.8 54.6 -71.9 -36.5 -11.8 -40.2 -31.9 33 141 A V H 3< S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.898 118.5 36.4 -59.2 -38.7 -11.3 -41.0 -35.5 34 142 A E T 3< S+ 0 0 115 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.348 119.1 49.2-100.4 4.5 -8.5 -43.4 -34.6 35 143 A A S < S- 0 0 44 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.632 105.0 -68.6-153.4 86.7 -9.9 -44.8 -31.3 36 144 A G S S- 0 0 70 -2,-0.2 2,-0.4 -3,-0.2 -1,-0.4 -0.072 70.5 -53.8 69.3-166.1 -13.4 -46.1 -30.9 37 145 A G - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.942 38.5-151.5-122.7 135.6 -16.7 -44.3 -31.0 38 146 A L - 0 0 37 -2,-0.4 2,-0.1 -6,-0.1 5,-0.1 -0.865 13.8-146.3-108.5 133.4 -17.9 -41.2 -29.1 39 147 A T > - 0 0 82 -2,-0.4 4,-0.5 1,-0.1 -1,-0.0 -0.281 30.7-108.7 -84.9 173.4 -21.5 -40.6 -28.3 40 148 A E T 4 S+ 0 0 97 2,-0.1 4,-0.3 1,-0.1 -1,-0.1 0.693 123.3 52.5 -66.7 -22.6 -23.4 -37.3 -28.0 41 149 A E T 4 S+ 0 0 149 1,-0.1 3,-0.4 2,-0.1 4,-0.3 0.967 110.8 39.5 -76.9 -55.8 -23.4 -38.2 -24.3 42 150 A N T > S+ 0 0 61 1,-0.2 4,-1.4 2,-0.1 -2,-0.1 0.341 89.6 90.4 -86.5 6.3 -19.7 -38.9 -23.7 43 151 A V H >X S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 3,-0.8 0.992 81.9 55.6 -59.4 -64.7 -18.2 -36.0 -25.8 44 152 A V H 3> S+ 0 0 37 -3,-0.4 4,-3.1 -4,-0.3 5,-0.3 0.810 103.6 55.7 -38.3 -51.0 -18.1 -33.5 -23.0 45 153 A G H 3> S+ 0 0 45 -4,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.953 112.6 40.7 -47.3 -57.2 -16.0 -35.8 -20.8 46 154 A K H < S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.2 4,-0.4 0.919 110.7 55.4 -64.4 -47.9 -8.8 -28.7 -22.2 52 160 A C H >< S+ 0 0 22 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.840 98.2 63.2 -55.2 -33.3 -7.6 -29.6 -18.7 53 161 A D T 3< S+ 0 0 117 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.623 96.8 59.1 -71.8 -8.0 -4.4 -31.0 -20.2 54 162 A M T < S+ 0 0 65 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.570 93.6 80.3 -94.3 -12.9 -3.5 -27.6 -21.4 55 163 A L S < S- 0 0 11 -3,-1.5 170,-0.1 -4,-0.4 3,-0.1 -0.600 98.9 -82.5 -91.9 155.8 -3.6 -26.2 -17.9 56 164 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.151 62.5 -82.1 -54.5 151.8 -0.7 -26.5 -15.4 57 165 A S > - 0 0 61 1,-0.1 3,-2.3 171,-0.1 173,-0.1 -0.186 41.9-110.9 -58.8 151.4 -0.6 -29.8 -13.5 58 166 A A G > S+ 0 0 60 1,-0.3 3,-2.6 2,-0.2 -1,-0.1 0.764 113.4 69.3 -57.1 -30.5 -2.8 -30.1 -10.5 59 167 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.661 96.9 58.0 -65.7 -8.8 0.1 -30.1 -8.0 60 168 A K G < S+ 0 0 75 -3,-2.3 170,-1.9 169,-0.1 -1,-0.3 0.268 99.8 69.4-104.3 9.4 0.5 -26.5 -9.1 61 169 A W S < S+ 0 0 6 -3,-2.6 171,-0.2 169,-0.2 187,-0.1 -0.811 94.0 23.7-113.8 163.2 -3.0 -25.5 -8.1 62 170 A Q S S+ 0 0 84 169,-2.0 170,-0.2 -2,-0.3 -1,-0.2 0.796 71.4 178.3 55.6 31.2 -4.5 -25.2 -4.7 63 171 A E - 0 0 51 -3,-0.2 -1,-0.2 141,-0.1 2,-0.1 -0.561 26.5-130.0 -60.4 123.8 -1.2 -24.6 -3.0 64 172 A P - 0 0 84 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.320 24.2 -90.8 -76.0 162.0 -2.2 -24.1 0.6 65 173 A I + 0 0 27 1,-0.2 5,-0.1 -2,-0.1 3,-0.0 -0.645 66.5 135.4 -73.1 115.0 -1.0 -21.2 2.8 66 174 A H + 0 0 125 -2,-0.6 -1,-0.2 3,-0.1 4,-0.1 0.604 39.1 92.8-125.0 -39.9 2.3 -22.2 4.6 67 175 A S S S- 0 0 13 2,-0.1 109,-0.1 1,-0.1 110,-0.1 -0.124 75.5-124.4 -64.5 157.7 4.7 -19.3 4.3 68 176 A K S S+ 0 0 50 107,-0.1 80,-2.8 79,-0.1 2,-0.5 0.961 96.4 52.1 -67.5 -49.2 4.9 -16.7 7.1 69 177 A Y E -ab 148 176A 10 106,-2.1 108,-2.4 78,-0.2 2,-0.5 -0.758 66.4-168.2 -94.8 126.9 4.3 -13.7 4.7 70 178 A I E -ab 149 177A 0 78,-2.7 80,-3.8 -2,-0.5 2,-0.5 -0.963 11.1-173.6-116.6 114.6 1.3 -13.8 2.4 71 179 A V E -ab 150 178A 0 106,-2.4 108,-3.0 -2,-0.5 2,-0.5 -0.914 10.4-170.8-113.7 130.4 1.3 -11.0 -0.3 72 180 A L E + b 0 179A 0 78,-1.8 80,-0.3 -2,-0.5 2,-0.3 -0.975 13.0 165.8-114.1 132.6 -1.3 -10.1 -2.8 73 181 A F E + b 0 180A 0 106,-2.0 108,-2.5 -2,-0.5 2,-0.3 -0.957 18.0 110.7-135.4 157.6 -0.6 -7.6 -5.5 74 182 A G E - b 0 181A 0 -2,-0.3 81,-0.9 106,-0.2 108,-0.2 -0.988 55.5 -17.5 169.2-162.4 -2.7 -6.9 -8.6 75 183 A S S > S- 0 0 17 106,-1.3 3,-1.2 -2,-0.3 5,-0.3 -0.182 72.6 -85.7 -73.9 162.0 -4.9 -4.6 -10.7 76 184 A T T 3 S+ 0 0 19 79,-0.4 -1,-0.1 1,-0.2 77,-0.0 -0.464 110.2 1.8 -67.9 127.4 -6.7 -1.6 -9.3 77 185 A G T 3 S+ 0 0 36 -2,-0.2 -1,-0.2 -3,-0.1 261,-0.1 0.452 88.8 128.1 80.8 -1.4 -10.1 -2.5 -7.8 78 186 A A S < S- 0 0 2 -3,-1.2 106,-0.2 103,-0.1 -2,-0.1 0.697 85.0 -98.2 -62.7 -23.2 -9.7 -6.2 -8.5 79 187 A G S > S+ 0 0 18 -4,-0.3 4,-2.4 102,-0.1 5,-0.2 0.623 74.4 141.6 114.6 17.8 -10.5 -7.1 -4.9 80 188 A K H > S+ 0 0 12 -5,-0.3 4,-3.0 2,-0.2 5,-0.2 0.958 74.9 44.4 -54.0 -62.9 -7.1 -7.6 -3.3 81 189 A T H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 114.8 49.3 -47.8 -50.9 -7.9 -6.0 0.1 82 190 A T H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.9 47.5 -61.1 -39.6 -11.2 -7.8 0.4 83 191 A T H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.914 107.0 56.6 -69.1 -40.3 -9.6 -11.1 -0.5 84 192 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.931 106.4 51.2 -55.4 -45.4 -6.8 -10.5 2.0 85 193 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.951 110.3 48.5 -56.7 -49.8 -9.4 -10.1 4.7 86 194 A K H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.944 111.8 48.9 -55.7 -52.7 -11.0 -13.4 3.8 87 195 A L H X S+ 0 0 4 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.895 113.5 47.0 -52.0 -47.2 -7.8 -15.3 3.7 88 196 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.931 107.7 54.9 -64.4 -49.4 -6.8 -13.9 7.1 89 197 A A H X>S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 5,-0.6 0.861 109.2 49.8 -50.2 -40.2 -10.1 -14.7 8.7 90 198 A I H X>S+ 0 0 30 -4,-1.9 5,-2.0 -5,-0.2 4,-1.1 0.936 109.0 51.4 -66.1 -46.3 -9.7 -18.2 7.5 91 199 A S H <5S+ 0 0 7 -4,-2.1 6,-1.2 3,-0.2 -2,-0.2 0.922 119.5 34.7 -59.5 -46.9 -6.2 -18.5 9.0 92 200 A M H X5S+ 0 0 12 -4,-2.8 4,-1.4 4,-0.3 -2,-0.2 0.996 127.4 31.7 -70.6 -64.5 -7.3 -17.2 12.4 93 201 A L H <5S+ 0 0 31 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.923 130.4 28.7 -66.0 -52.0 -10.8 -18.6 12.9 94 202 A E T < S- 0 0 46 947,-0.2 3,-1.9 948,-0.1 4,-0.4 -0.588 92.4-100.9 -88.1 139.5 -5.3 5.1 -2.5 109 217 A I T 3 S- 0 0 5 -2,-0.3 -1,-0.1 1,-0.3 264,-0.1 -0.320 99.0 -2.0 -66.3 122.7 -7.6 7.1 -0.2 110 218 A A T 3> S+ 0 0 6 -2,-0.1 4,-2.8 -4,-0.1 -1,-0.3 0.484 89.2 125.4 79.7 8.7 -8.9 5.2 2.8 111 219 A A H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 0.872 76.4 48.0 -63.7 -34.8 -7.2 2.0 1.8 112 220 A V H > S+ 0 0 22 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.925 109.6 50.5 -72.6 -43.2 -5.5 1.9 5.2 113 221 A E H > S+ 0 0 74 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.972 107.8 57.4 -53.9 -50.0 -8.7 2.5 7.1 114 222 A Q H X S+ 0 0 5 -4,-2.8 4,-1.3 1,-0.3 -2,-0.2 0.930 113.2 35.6 -45.6 -62.4 -10.2 -0.3 5.1 115 223 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.858 113.8 60.7 -64.6 -34.1 -7.7 -2.9 6.2 116 224 A K H X S+ 0 0 53 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.940 101.6 51.5 -56.0 -47.7 -7.5 -1.4 9.6 117 225 A T H X S+ 0 0 27 -4,-3.0 4,-2.2 1,-0.3 -1,-0.2 0.862 110.9 49.0 -66.4 -31.2 -11.2 -2.0 10.3 118 226 A Y H X S+ 0 0 0 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.3 0.896 111.8 48.5 -65.9 -43.3 -10.7 -5.6 9.3 119 227 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 -2,-0.2 0.858 110.4 52.1 -68.5 -32.8 -7.7 -5.9 11.5 120 228 A E H ><5S+ 0 0 35 -4,-3.0 3,-1.3 3,-0.2 -2,-0.2 0.955 109.3 48.6 -68.2 -47.7 -9.7 -4.4 14.3 121 229 A L H 3<5S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.898 116.7 43.2 -53.0 -45.4 -12.5 -6.9 13.9 122 230 A L T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.395 109.2-127.9 -82.0 -1.0 -10.0 -9.7 13.9 123 231 A Q T < 5 + 0 0 51 -3,-1.3 -3,-0.2 -4,-0.2 798,-0.2 0.910 61.3 138.0 51.1 47.8 -8.2 -8.2 16.8 124 232 A A < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.1 -24,-0.2 -0.916 55.8-107.6-121.5 152.1 -4.8 -8.3 14.9 125 233 A P - 0 0 2 0, 0.0 -24,-2.5 0, 0.0 2,-0.3 -0.311 31.0-157.0 -75.0 160.8 -2.0 -5.7 14.8 126 234 A L E -d 101 0A 3 -26,-0.2 2,-0.5 2,-0.0 -24,-0.2 -0.975 7.2-165.2-146.6 125.1 -1.4 -3.7 11.6 127 235 A E E -d 102 0A 31 -26,-2.2 -24,-2.4 -2,-0.3 2,-0.4 -0.943 11.6-147.4-112.9 128.8 1.7 -1.9 10.3 128 236 A V E -d 103 0A 42 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.786 18.7-163.6 -87.5 133.0 1.7 0.6 7.4 129 237 A C + 0 0 1 -26,-2.8 -23,-0.2 -2,-0.4 3,-0.1 -0.964 25.2 171.5-126.7 123.0 5.0 0.5 5.4 130 238 A Y S S+ 0 0 140 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.614 74.3 30.7 -95.1 -18.4 6.2 3.2 3.0 131 239 A T S > S- 0 0 47 1,-0.1 4,-2.4 38,-0.1 5,-0.2 -0.937 81.4-110.9-141.9 158.7 9.6 1.7 2.5 132 240 A K H > S+ 0 0 55 36,-0.5 4,-3.3 -2,-0.3 5,-0.2 0.866 117.8 56.8 -57.6 -34.5 11.4 -1.6 2.4 133 241 A E H > S+ 0 0 124 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.963 106.2 47.5 -62.7 -52.9 13.1 -0.7 5.7 134 242 A E H > S+ 0 0 69 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.920 113.5 49.9 -53.8 -43.8 9.9 -0.1 7.5 135 243 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.936 110.2 48.9 -58.8 -48.3 8.7 -3.4 6.1 136 244 A Q H X S+ 0 0 60 -4,-3.3 4,-1.0 2,-0.2 -2,-0.2 0.903 112.8 49.2 -59.1 -40.3 11.9 -5.1 7.2 137 245 A Q H >X S+ 0 0 74 -4,-3.3 3,-1.7 1,-0.2 4,-1.4 0.971 105.2 55.8 -61.4 -55.3 11.4 -3.5 10.6 138 246 A A H 3X S+ 0 0 3 -4,-3.4 4,-2.2 1,-0.3 -1,-0.2 0.850 99.8 63.2 -44.1 -41.0 7.8 -4.6 10.8 139 247 A K H 3< S+ 0 0 26 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.868 99.6 53.3 -51.7 -43.5 9.2 -8.2 10.3 140 248 A E H X< S+ 0 0 84 -3,-1.7 3,-1.5 -4,-1.0 -1,-0.2 0.940 108.8 47.9 -56.6 -50.8 11.0 -7.8 13.6 141 249 A L H >< S+ 0 0 27 -4,-1.4 3,-0.5 1,-0.3 -2,-0.2 0.874 114.7 45.8 -61.5 -38.0 7.9 -6.9 15.5 142 250 A F G >< S+ 0 0 0 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.3 0.243 75.5 113.4 -93.7 16.4 5.9 -9.7 14.0 143 251 A S G < S+ 0 0 46 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.788 74.6 56.3 -59.9 -27.0 8.6 -12.4 14.5 144 252 A E G < S+ 0 0 124 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.432 92.9 96.4 -83.5 1.4 6.3 -14.2 17.0 145 253 A Y < - 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0 0 11 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.196 62.2 -82.6 -55.6 150.5 -24.8 8.4 -31.0 316 165 B S > - 0 0 59 1,-0.1 3,-2.2 171,-0.1 173,-0.1 -0.160 42.3-110.9 -54.3 150.5 -24.9 11.9 -32.3 317 166 B A G > S+ 0 0 58 1,-0.3 3,-2.7 2,-0.2 -1,-0.1 0.770 112.8 70.1 -59.2 -30.3 -22.5 14.3 -30.7 318 167 B D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.646 96.9 57.7 -63.7 -8.6 -25.1 16.4 -29.0 319 168 B K G < S+ 0 0 74 -3,-2.2 170,-1.7 169,-0.1 -1,-0.3 0.253 99.9 70.1-105.6 8.8 -25.6 13.2 -26.8 320 169 B W S < S+ 0 0 7 -3,-2.7 171,-0.2 169,-0.2 187,-0.1 -0.805 94.6 22.6-113.7 163.8 -21.9 13.3 -25.7 321 170 B Q S S+ 0 0 83 169,-2.3 -1,-0.2 -2,-0.3 170,-0.2 0.822 71.6 178.0 51.0 34.4 -20.2 15.6 -23.4 322 171 B E - 0 0 50 -3,-0.2 -1,-0.2 141,-0.1 2,-0.1 -0.594 27.2-129.5 -60.9 126.2 -23.4 16.7 -21.7 323 172 B P - 0 0 84 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.355 24.3 -90.3 -77.9 162.0 -22.2 19.2 -19.0 324 173 B I + 0 0 28 1,-0.2 5,-0.1 -2,-0.1 3,-0.0 -0.638 66.7 135.1 -73.9 117.2 -23.1 19.1 -15.4 325 174 B H + 0 0 128 -2,-0.6 -1,-0.2 3,-0.1 4,-0.1 0.573 39.2 92.3-127.6 -40.3 -26.3 21.2 -14.8 326 175 B S S S- 0 0 11 1,-0.1 109,-0.1 2,-0.1 110,-0.1 -0.118 75.6-123.8 -64.7 159.9 -28.7 19.2 -12.6 327 176 B K S S+ 0 0 48 107,-0.1 80,-2.4 79,-0.1 2,-0.4 0.970 95.8 53.1 -68.6 -49.6 -28.6 19.7 -8.8 328 177 B Y E -ij 407 435C 10 106,-2.2 108,-2.6 78,-0.2 2,-0.5 -0.716 66.1-167.6 -94.7 130.3 -28.0 16.0 -8.0 329 178 B I E -ij 408 436C 0 78,-2.8 80,-3.7 -2,-0.4 2,-0.5 -0.957 11.3-174.4-119.2 112.8 -25.2 14.1 -9.7 330 179 B V E -ij 409 437C 0 106,-2.5 108,-3.0 -2,-0.5 2,-0.5 -0.907 10.5-171.5-113.5 126.9 -25.4 10.3 -9.2 331 180 B L E + j 0 438C 0 78,-1.9 80,-0.4 -2,-0.5 2,-0.3 -0.962 12.9 165.5-111.1 133.4 -22.9 7.7 -10.3 332 181 B F E + j 0 439C 0 106,-1.9 108,-2.4 -2,-0.5 2,-0.3 -0.969 17.6 113.0-135.7 155.6 -23.7 4.0 -10.1 333 182 B G E - j 0 440C 0 -2,-0.3 81,-0.9 106,-0.2 108,-0.2 -0.981 55.6 -21.1 172.5-162.3 -21.8 1.1 -11.6 334 183 B S S > S- 0 0 18 106,-1.3 3,-1.4 -2,-0.3 5,-0.3 -0.218 72.5 -84.5 -73.9 160.5 -19.8 -2.1 -11.2 335 184 B T T 3 S+ 0 0 19 79,-0.4 -1,-0.1 1,-0.2 77,-0.0 -0.403 110.8 3.6 -63.8 128.3 -17.7 -2.9 -8.2 336 185 B G T 3 S+ 0 0 33 -2,-0.2 -1,-0.2 -3,-0.1 -257,-0.1 0.465 88.6 127.7 81.8 -1.2 -14.2 -1.4 -8.2 337 186 B A S < S- 0 0 3 -3,-1.4 106,-0.1 103,-0.1 -2,-0.1 0.699 84.8 -98.0 -66.5 -22.9 -14.8 0.6 -11.4 338 187 B G S > S+ 0 0 17 -4,-0.3 4,-2.3 102,-0.1 5,-0.2 0.612 74.4 141.4 115.9 20.7 -13.8 3.9 -9.9 339 188 B K H > S+ 0 0 14 -5,-0.3 4,-3.1 2,-0.2 5,-0.2 0.976 74.6 43.6 -58.0 -61.8 -17.1 5.5 -9.0 340 189 B T H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 115.4 49.7 -48.7 -50.4 -16.0 7.1 -5.7 341 190 B T H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.876 112.8 47.6 -59.4 -39.2 -12.7 8.3 -7.2 342 191 B T H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.912 107.1 55.5 -69.8 -42.3 -14.5 9.8 -10.1 343 192 B L H X S+ 0 0 0 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.929 106.5 52.3 -54.8 -46.0 -17.1 11.5 -8.0 344 193 B A H X S+ 0 0 0 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.958 110.4 47.5 -54.6 -53.5 -14.3 13.2 -6.1 345 194 B K H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.930 112.1 49.4 -53.1 -52.0 -12.8 14.5 -9.3 346 195 B L H X S+ 0 0 4 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.901 113.5 46.3 -53.8 -46.9 -16.1 15.7 -10.6 347 196 B A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.944 107.7 56.2 -63.9 -50.0 -16.9 17.5 -7.4 348 197 B A H X>S+ 0 0 2 -4,-3.2 4,-1.8 1,-0.2 5,-0.7 0.849 108.7 49.2 -47.4 -39.2 -13.4 19.1 -7.2 349 198 B I H X>S+ 0 0 30 -4,-1.9 5,-2.0 -5,-0.2 4,-1.0 0.947 109.0 51.8 -69.4 -45.4 -14.1 20.5 -10.6 350 199 B S H <5S+ 0 0 7 -4,-2.0 6,-1.1 3,-0.2 4,-0.3 0.947 119.1 34.6 -59.1 -50.6 -17.4 21.9 -9.6 351 200 B M H X5S+ 0 0 19 -4,-2.7 4,-1.4 4,-0.2 -2,-0.2 0.997 127.5 31.7 -66.4 -65.7 -16.1 23.7 -6.6 352 201 B L H <5S+ 0 0 32 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.937 130.6 28.3 -65.6 -53.6 -12.6 24.8 -7.6 353 202 B E T < S- 0 0 46 671,-0.2 3,-2.0 672,-0.1 4,-0.4 -0.558 92.4-100.0 -86.6 139.9 -18.5 -1.9 1.4 368 217 B I T 3 S- 0 0 7 -2,-0.3 -1,-0.1 1,-0.3 -254,-0.1 -0.313 99.0 -2.6 -67.5 124.4 -16.0 -1.4 4.2 369 218 B A T 3> S+ 0 0 8 -2,-0.1 4,-2.7 -4,-0.1 -1,-0.3 0.492 89.5 125.2 78.2 8.9 -14.5 2.1 4.6 370 219 B A H <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.2 5,-0.2 0.859 76.3 48.1 -65.7 -33.6 -16.4 3.4 1.6 371 220 B V H > S+ 0 0 24 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.939 109.6 50.8 -71.0 -47.1 -17.8 6.1 3.7 372 221 B E H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.957 107.4 57.4 -50.7 -49.9 -14.5 7.1 5.2 373 222 B Q H X S+ 0 0 4 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.929 113.1 35.9 -46.0 -59.3 -13.2 7.2 1.6 374 223 B L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.840 113.1 60.6 -69.2 -31.4 -15.7 9.9 0.5 375 224 B K H X S+ 0 0 101 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.933 101.8 52.2 -59.9 -43.9 -15.6 11.6 3.9 376 225 B T H X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.848 110.8 47.7 -69.5 -29.8 -11.9 12.3 3.5 377 226 B Y H X S+ 0 0 0 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.900 112.1 49.4 -67.7 -43.9 -12.6 13.9 0.1 378 227 B A H <>S+ 0 0 2 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.858 110.5 51.7 -65.7 -34.2 -15.4 15.9 1.5 379 228 B E H ><5S+ 0 0 133 -4,-2.8 3,-1.7 3,-0.2 -1,-0.2 0.961 109.0 49.2 -66.6 -49.3 -13.2 17.0 4.3 380 229 B L H 3<5S+ 0 0 32 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.906 116.7 42.4 -53.1 -45.6 -10.5 18.1 1.9 381 230 B L T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.375 109.4-126.8 -82.2 -0.9 -13.1 20.1 -0.1 382 231 B Q T < 5 + 0 0 142 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.906 61.7 139.2 51.0 47.2 -14.7 21.3 3.1 383 232 B A < - 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0 0 26 -946,-0.0 3,-3.1 1,-0.0 4,-0.3 -0.858 360.0-111.3 177.3 134.8 -1.7 10.1 -2.2 1056 8 F Q T 3 S+ 0 0 2 -949,-2.9 -557,-3.0 1,-0.3 3,-0.3 0.765 123.6 52.5 -57.5 -14.7 -4.0 9.9 -5.1 1057 9 F A T 3> S+ 0 0 0 -950,-0.3 4,-2.8 -559,-0.2 -1,-0.3 0.407 72.9 114.8-100.6 3.0 -5.3 13.2 -3.7 1058 10 F A H <> S+ 0 0 44 -3,-3.1 4,-2.4 1,-0.2 5,-0.2 0.853 78.7 45.8 -36.3 -57.1 -1.9 14.9 -3.6 1059 11 F T H > S+ 0 0 46 -560,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.935 113.2 48.8 -58.6 -48.1 -2.9 17.5 -6.2 1060 12 F L H > S+ 0 0 0 -561,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.932 110.6 51.7 -57.4 -46.0 -6.3 18.3 -4.7 1061 13 F R H X S+ 0 0 83 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.945 109.1 50.2 -55.6 -50.5 -4.8 18.7 -1.3 1062 14 F A H X S+ 0 0 49 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.825 108.8 52.5 -57.1 -36.7 -2.2 21.1 -2.7 1063 15 F K H X S+ 0 0 96 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.920 110.3 47.6 -68.3 -41.2 -5.0 23.1 -4.4 1064 16 F M H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.875 107.7 54.8 -68.3 -39.0 -6.9 23.4 -1.1 1065 17 F E H X S+ 0 0 78 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.893 109.7 49.4 -56.1 -40.9 -3.8 24.4 0.9 1066 18 F K H < S+ 0 0 114 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.896 107.7 52.2 -68.1 -44.4 -3.3 27.3 -1.7 1067 19 F R H < S+ 0 0 139 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.958 107.3 53.5 -54.2 -52.5 -6.9 28.4 -1.4 1068 20 F E H < 0 0 142 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.842 360.0 360.0 -48.4 -40.1 -6.5 28.6 2.4 1069 21 F R < 0 0 137 -4,-1.3 -3,-0.0 -5,-0.2 -4,-0.0 -0.362 360.0 360.0 -65.2 360.0 -3.4 30.8 1.8 1070 !* 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 1071 6 G Y 0 0 144 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 101.7 -0.5 21.0 14.8 1072 7 G D > - 0 0 27 -186,-0.0 3,-3.3 1,-0.0 4,-0.3 -0.847 360.0-110.8 175.9 133.6 3.1 20.9 15.8 1073 8 G Q T 3 S+ 0 0 1 -189,-2.6 -315,-2.9 1,-0.3 3,-0.2 0.748 123.5 52.6 -56.8 -14.1 5.2 23.2 18.0 1074 9 G A T 3> S+ 0 0 0 -190,-0.3 4,-2.8 -317,-0.2 -1,-0.3 0.403 72.9 115.4-101.5 3.3 6.8 24.2 14.7 1075 10 G A H <> S+ 0 0 43 -3,-3.3 4,-2.4 1,-0.2 5,-0.2 0.865 78.4 45.1 -34.7 -62.6 3.5 25.1 13.0 1076 11 G T H > S+ 0 0 46 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.926 113.1 49.7 -51.9 -50.4 4.3 28.8 12.6 1077 12 G L H > S+ 0 0 0 -319,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.927 110.0 52.0 -57.9 -45.0 7.9 28.2 11.5 1078 13 G R H X S+ 0 0 86 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.923 108.9 50.0 -55.9 -49.3 6.7 25.8 8.9 1079 14 G A H X S+ 0 0 29 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.816 108.9 52.5 -57.6 -37.2 4.1 28.3 7.6 1080 15 G K H X S+ 0 0 93 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.909 110.5 47.0 -68.7 -40.8 6.8 31.0 7.3 1081 16 G M H X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.868 108.1 55.3 -68.9 -36.9 9.1 28.7 5.3 1082 17 G E H X S+ 0 0 60 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.892 109.7 48.8 -57.6 -39.8 6.2 27.7 3.0 1083 18 G K H < S+ 0 0 122 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.889 107.6 52.6 -70.2 -43.5 5.7 31.4 2.3 1084 19 G R H < S+ 0 0 138 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.951 107.3 53.5 -53.7 -52.5 9.3 32.0 1.6 1085 20 G E H < 0 0 142 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.840 360.0 360.0 -48.3 -40.2 9.2 29.2 -1.0 1086 21 G R < 0 0 173 -4,-1.3 -3,-0.0 -5,-0.1 -4,-0.0 -0.353 360.0 360.0 -64.7 360.0 6.2 30.9 -2.7 1087 !* 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 1088 6 H Y 0 0 142 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 100.9 27.3 5.8 24.0 1089 7 H D > - 0 0 26 -462,-0.0 3,-2.9 1,-0.0 4,-0.3 -0.861 360.0-111.3 178.0 135.8 23.6 6.3 24.1 1090 8 H Q T 3 S+ 0 0 2 -465,-2.8 -73,-2.9 1,-0.3 3,-0.2 0.767 123.5 52.6 -57.5 -15.9 21.3 6.7 27.0 1091 9 H A T 3> S+ 0 0 0 -466,-0.3 4,-2.9 -75,-0.2 -1,-0.3 0.383 73.0 115.7-100.6 4.0 20.0 3.3 25.7 1092 10 H A H <> S+ 0 0 43 -3,-2.9 4,-2.5 1,-0.2 5,-0.2 0.864 78.3 45.4 -34.4 -59.8 23.3 1.6 25.6 1093 11 H T H > S+ 0 0 47 -76,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.945 113.2 49.3 -57.0 -49.5 22.4 -1.0 28.3 1094 12 H L H > S+ 0 0 0 -77,-1.6 4,-2.4 1,-0.2 3,-0.3 0.943 110.2 51.7 -56.6 -47.7 19.0 -1.8 26.8 1095 13 H R H X S+ 0 0 83 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.943 109.2 50.2 -53.3 -50.9 20.6 -2.2 23.4 1096 14 H A H X S+ 0 0 48 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.3 0.828 108.7 52.3 -56.3 -37.1 23.1 -4.7 24.8 1097 15 H K H X S+ 0 0 96 -4,-2.1 4,-2.1 -3,-0.3 -1,-0.2 0.909 110.5 47.5 -68.2 -40.6 20.3 -6.7 26.5 1098 16 H M H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.877 107.9 55.0 -69.6 -37.9 18.4 -7.0 23.3 1099 17 H E H X S+ 0 0 113 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.892 109.7 48.8 -56.7 -39.5 21.6 -8.0 21.4 1100 18 H K H < S+ 0 0 145 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.895 107.8 52.4 -71.0 -43.7 22.0 -10.8 23.9 1101 19 H R H < S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.951 107.1 53.7 -54.4 -52.1 18.4 -12.0 23.6 1102 20 H E H < 0 0 134 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.838 360.0 360.0 -48.1 -39.7 18.9 -12.2 19.9 1103 21 H R < 0 0 232 -4,-1.2 -3,-0.0 -5,-0.2 -4,-0.0 -0.352 360.0 360.0 -65.4 360.0 21.9 -14.4 20.5