==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAY-99 1QCW . COMPND 2 MOLECULE: FLAVOCYTOCHROME B2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.G.MOWAT,R.C.E.DURLEY,A.D.PIKE,J.D.BARTON,Z.-W.CHEN, . 770 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.8 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 . 2 0.3 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 . 59 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 4 0 4 2 6 3 3 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 5 1 7 6 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 2 2 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 . 3 1 0 0 0 0 0 2 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 1 102 A T > 0 0 122 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 179.0 50.2 33.9 5.6 2 103 A K T > + 0 0 154 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.750 360.0 77.1 -68.8 -22.6 48.5 31.6 3.1 3 104 A E T 3> S+ 0 0 62 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.511 71.3 80.0 -65.3 -6.3 47.7 34.9 1.3 4 105 A D H <> S+ 0 0 76 -3,-1.3 4,-1.1 1,-0.2 -1,-0.3 0.809 93.5 50.0 -69.0 -29.9 51.3 34.9 0.1 5 106 A I H <> S+ 0 0 94 -3,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.723 100.8 61.4 -78.1 -24.6 50.1 32.4 -2.5 6 107 A A H > S+ 0 0 42 -4,-0.5 4,-1.3 1,-0.2 -2,-0.2 0.823 106.7 47.9 -68.4 -28.9 47.2 34.8 -3.3 7 108 A R H X S+ 0 0 38 -4,-1.1 4,-3.1 2,-0.2 5,-0.3 0.814 102.6 60.5 -77.6 -34.3 50.0 37.1 -4.3 8 109 A K H X S+ 0 0 102 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.790 103.8 52.7 -63.1 -26.1 51.7 34.4 -6.3 9 110 A E H <>S+ 0 0 120 -4,-1.1 5,-1.0 2,-0.2 -1,-0.2 0.935 115.5 38.8 -72.6 -48.6 48.5 34.4 -8.3 10 111 A Q H <>S+ 0 0 80 -4,-1.3 5,-0.6 23,-0.2 4,-0.2 0.998 121.1 44.1 -60.8 -66.8 48.7 38.2 -8.9 11 112 A L H X5S+ 0 0 49 -4,-3.1 4,-1.0 3,-0.2 2,-0.2 0.925 106.7 66.5 -42.3 -65.1 52.5 38.2 -9.4 12 113 A K T <5S- 0 0 149 -4,-1.7 2,-3.5 -5,-0.3 0, 0.0 -0.417 127.6 -29.2 -70.9 129.5 52.6 35.1 -11.6 13 114 A S T 45S+ 0 0 113 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.1 -0.165 125.2 79.2 62.7 -47.9 51.0 35.5 -15.0 14 115 A L T 4< + 0 0 101 -2,-3.5 -1,-0.2 -5,-1.0 -3,-0.2 0.687 66.1 104.6 -65.3 -17.7 48.5 38.1 -13.8 15 116 A L S < - 0 0 74 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.343 38.7-119.0 -57.0 135.2 52.9 43.0 -19.9 18 119 A L G > S+ 0 0 35 1,-0.3 3,-0.7 2,-0.2 299,-0.0 0.707 116.0 58.2 -50.8 -21.4 55.8 45.3 -19.2 19 120 A D G 3 S+ 0 0 123 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.782 94.7 64.0 -80.1 -26.7 54.8 47.2 -22.4 20 121 A N G < S+ 0 0 54 -3,-2.4 2,-0.8 2,-0.0 -1,-0.2 0.410 77.3 108.6 -75.9 1.7 51.3 47.8 -21.0 21 122 A I < + 0 0 7 -3,-0.7 3,-0.1 -4,-0.3 -3,-0.0 -0.736 44.3 177.8 -83.9 111.4 53.0 49.9 -18.2 22 123 A I - 0 0 6 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.869 58.0 -4.2 -83.5 -39.8 52.1 53.5 -19.0 23 124 A N S >> S- 0 0 9 1,-0.0 3,-1.0 553,-0.0 4,-0.7 -0.889 74.2 -90.9-147.2 179.1 53.7 55.3 -16.1 24 125 A L H 3> S+ 0 0 3 264,-0.4 4,-1.4 -2,-0.3 3,-0.2 0.745 116.4 63.8 -65.4 -28.3 55.7 55.0 -12.8 25 126 A Y H 3> S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.781 95.7 61.7 -68.3 -25.3 52.5 55.0 -10.7 26 127 A D H <> S+ 0 0 37 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.903 100.1 51.9 -66.6 -40.9 51.6 51.7 -12.4 27 128 A F H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.895 109.8 51.8 -60.5 -39.3 54.8 50.0 -11.0 28 129 A E H X S+ 0 0 60 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.897 108.7 48.5 -65.0 -44.4 53.7 51.2 -7.6 29 130 A Y H X S+ 0 0 145 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.965 112.5 46.8 -60.5 -57.2 50.2 49.8 -7.8 30 131 A L H X S+ 0 0 20 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.904 113.1 51.9 -50.6 -43.5 51.3 46.4 -9.0 31 132 A A H >X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 3,-1.1 0.897 103.9 54.4 -63.5 -44.2 54.0 46.4 -6.2 32 133 A S H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.814 113.3 45.7 -61.4 -27.4 51.5 47.2 -3.4 33 134 A Q H 3< S+ 0 0 94 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.508 124.4 28.3 -94.2 -6.7 49.5 44.2 -4.5 34 135 A T H << S+ 0 0 9 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.650 93.3 94.9-124.9 -28.7 52.3 41.7 -5.0 35 136 A L S < S- 0 0 9 -4,-3.0 67,-0.1 -5,-0.2 281,-0.0 -0.383 83.8 -97.9 -67.8 148.1 55.1 42.6 -2.6 36 137 A T > - 0 0 72 65,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.246 34.3-109.4 -62.4 152.7 55.3 40.9 0.8 37 138 A K H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.843 120.1 48.6 -54.0 -36.2 53.8 42.8 3.7 38 139 A Q H > S+ 0 0 98 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.937 114.0 44.8 -69.8 -47.5 57.2 43.4 5.2 39 140 A A H > S+ 0 0 0 62,-0.2 4,-2.8 2,-0.2 5,-0.2 0.959 115.4 46.5 -60.9 -53.3 58.7 44.6 1.9 40 141 A W H X S+ 0 0 62 -4,-3.1 4,-3.1 1,-0.2 5,-0.4 0.889 111.5 52.2 -57.8 -41.6 55.8 46.8 1.0 41 142 A A H X S+ 0 0 6 -4,-1.9 4,-1.2 -5,-0.3 150,-0.3 0.909 114.9 42.0 -61.2 -43.5 55.8 48.3 4.6 42 143 A Y H < S+ 0 0 47 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.838 120.0 42.8 -72.8 -37.4 59.5 49.1 4.3 43 144 A Y H < S+ 0 0 5 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.946 121.1 36.7 -76.6 -47.8 59.4 50.4 0.7 44 145 A S H < S+ 0 0 5 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.653 96.5 102.6 -81.6 -14.9 56.2 52.5 0.9 45 146 A S < - 0 0 0 -4,-1.2 2,-0.2 -5,-0.4 143,-0.1 -0.332 43.1-175.9 -78.3 153.2 56.6 53.9 4.4 46 147 A G - 0 0 2 2,-0.2 2,-0.4 -2,-0.1 144,-0.3 -0.698 42.7 -68.7-127.9 179.8 57.7 57.3 5.6 47 148 A A S > S- 0 0 0 203,-2.8 3,-1.9 -2,-0.2 4,-0.4 -0.613 84.7 -47.7 -83.2 132.7 58.3 58.7 9.0 48 149 A N T 3 S+ 0 0 68 139,-1.9 -2,-0.2 -2,-0.4 142,-0.1 -0.263 131.9 8.1 52.6-111.7 55.4 59.3 11.3 49 150 A D T 3 S- 0 0 52 -2,-0.2 707,-0.3 1,-0.0 -1,-0.3 0.378 89.6-131.8 -82.0 4.3 52.5 61.1 9.6 50 151 A E <> + 0 0 28 -3,-1.9 4,-1.4 200,-0.2 -2,-0.1 0.804 63.9 135.4 49.5 34.6 54.2 60.8 6.1 51 152 A V H > S+ 0 0 6 -4,-0.4 4,-3.6 2,-0.2 5,-0.2 0.954 71.9 42.1 -74.6 -51.8 53.5 64.5 5.6 52 153 A T H > S+ 0 0 1 2,-0.2 4,-2.7 -5,-0.2 5,-0.2 0.879 110.5 58.4 -60.8 -42.7 57.0 65.3 4.2 53 154 A H H > S+ 0 0 31 197,-0.4 4,-0.6 -6,-0.2 -1,-0.2 0.954 117.6 32.4 -51.7 -51.3 57.0 62.1 2.1 54 155 A R H >X S+ 0 0 63 -4,-1.4 4,-2.0 1,-0.2 3,-1.0 0.871 113.6 60.7 -74.5 -37.6 53.8 63.3 0.4 55 156 A E H 3X S+ 0 0 8 -4,-3.6 4,-2.4 1,-0.3 -2,-0.2 0.855 93.0 67.5 -59.4 -33.0 54.7 67.0 0.6 56 157 A N H 3< S+ 0 0 1 -4,-2.7 4,-0.4 2,-0.2 -1,-0.3 0.876 109.1 37.1 -54.0 -39.6 57.8 66.2 -1.5 57 158 A H H XX S+ 0 0 40 -3,-1.0 3,-2.3 -4,-0.6 4,-0.6 0.974 112.0 56.1 -76.3 -58.7 55.5 65.5 -4.4 58 159 A N H >< S+ 0 0 42 -4,-2.0 3,-1.1 1,-0.3 -2,-0.2 0.766 96.5 66.5 -43.8 -37.5 52.8 68.1 -3.8 59 160 A A G >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 -1,-0.3 0.816 90.3 62.8 -59.8 -31.8 55.4 70.9 -3.9 60 161 A Y G X4 S+ 0 0 0 -3,-2.3 3,-1.5 -4,-0.4 -1,-0.3 0.846 95.1 63.2 -62.3 -28.3 56.1 70.2 -7.6 61 162 A H G << S+ 0 0 41 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.366 88.1 68.4 -79.3 5.4 52.5 71.2 -8.2 62 163 A R G < S+ 0 0 0 -3,-1.8 295,-0.5 296,-0.1 2,-0.4 0.345 91.8 74.6-100.7 1.0 53.1 74.7 -7.0 63 164 A I < - 0 0 0 -3,-1.5 2,-0.3 -4,-0.1 292,-0.2 -0.967 62.7-176.7-118.0 127.0 55.2 75.3 -10.1 64 165 A F E -A 354 0A 5 290,-1.7 290,-4.1 -2,-0.4 579,-0.2 -0.854 23.7-110.9-119.6 159.6 53.7 75.8 -13.5 65 166 A F E -Ab 353 643A 0 577,-3.9 579,-0.8 -2,-0.3 288,-0.3 -0.493 9.3-158.2 -91.6 161.1 55.4 76.2 -16.9 66 167 A K - 0 0 32 286,-2.3 549,-0.1 -2,-0.2 287,-0.1 -0.641 32.9-164.8-133.2 67.4 55.7 79.2 -19.3 67 168 A P - 0 0 0 0, 0.0 547,-0.4 0, 0.0 2,-0.3 -0.236 14.2-127.5 -62.0 140.8 56.5 77.2 -22.5 68 169 A K - 0 0 47 272,-3.6 2,-0.3 545,-0.1 3,-0.2 -0.646 25.5-158.1 -89.6 142.7 57.8 78.8 -25.6 69 170 A I + 0 0 7 -2,-0.3 525,-0.1 1,-0.2 499,-0.1 -0.772 64.2 37.3-119.8 166.9 56.0 78.2 -28.9 70 171 A L S S+ 0 0 8 497,-0.6 524,-0.9 -2,-0.3 2,-0.4 0.875 82.8 133.4 60.3 39.1 57.0 78.3 -32.6 71 172 A V - 0 0 52 -3,-0.2 2,-0.7 522,-0.2 -1,-0.2 -0.966 67.0-109.8-119.3 134.3 60.4 76.9 -31.8 72 173 A D + 0 0 63 -2,-0.4 519,-0.2 519,-0.2 3,-0.1 -0.537 46.6 162.3 -67.6 108.9 62.0 74.0 -33.8 73 174 A V + 0 0 2 517,-2.4 518,-0.2 -2,-0.7 -1,-0.1 -0.088 34.0 115.9-120.6 31.9 61.9 71.1 -31.4 74 175 A R S S+ 0 0 152 516,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.975 80.0 45.1 -63.0 -51.0 62.3 68.3 -33.9 75 176 A K S S+ 0 0 109 -3,-0.1 2,-0.3 515,-0.1 -1,-0.1 -0.761 71.7 174.4 -96.1 136.5 65.7 67.4 -32.2 76 177 A V - 0 0 21 -2,-0.4 2,-0.5 -3,-0.0 268,-0.2 -0.989 12.1-163.2-145.8 129.3 65.9 67.3 -28.4 77 178 A D B +c 344 0B 65 266,-3.7 268,-0.6 -2,-0.3 -2,-0.0 -0.962 13.8 173.3-118.9 127.1 68.8 66.2 -26.2 78 179 A I + 0 0 8 -2,-0.5 -1,-0.1 10,-0.2 266,-0.1 0.370 41.3 117.6-111.5 5.1 68.5 65.3 -22.6 79 180 A S + 0 0 26 10,-0.1 266,-0.4 11,-0.1 9,-0.3 -0.415 36.2 161.0 -72.3 149.4 72.0 64.0 -21.8 80 181 A T E -D 87 0C 19 7,-2.3 7,-3.6 9,-0.2 2,-0.4 -0.754 35.3 -97.5-149.4-168.6 74.0 66.0 -19.2 81 182 A D E -D 86 0C 67 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.965 28.7-179.4-126.7 145.8 76.9 65.7 -16.9 82 183 A M E > -D 85 0C 0 3,-2.3 3,-1.6 -2,-0.4 -2,-0.0 -0.986 69.1 -10.5-145.1 133.4 77.0 64.8 -13.2 83 184 A L T 3 S- 0 0 11 -2,-0.3 2,-0.4 1,-0.3 3,-0.1 0.888 128.6 -50.7 42.3 53.0 80.1 64.6 -10.9 84 185 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 -0.047 119.1 97.0 83.3 -33.7 82.6 64.8 -13.8 85 186 A S E < S-D 82 0C 36 -3,-1.6 -3,-2.3 -2,-0.4 2,-0.5 -0.462 75.6-112.5 -90.0 162.3 81.0 62.1 -16.0 86 187 A H E -D 81 0C 119 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.3 -0.826 32.4-161.1 -96.3 129.0 78.6 62.4 -18.9 87 188 A V E -D 80 0C 3 -7,-3.6 -7,-2.3 -2,-0.5 35,-0.1 -0.842 21.8-145.3-113.2 146.8 75.1 61.0 -18.4 88 189 A D S S+ 0 0 58 33,-0.8 -10,-0.2 -2,-0.3 34,-0.1 0.809 88.9 34.5 -75.6 -33.0 72.5 60.1 -20.9 89 190 A V S S- 0 0 1 32,-0.5 -9,-0.2 2,-0.3 -10,-0.1 -0.917 76.4-128.1-124.2 149.8 69.6 61.2 -18.7 90 191 A P S S+ 0 0 0 0, 0.0 214,-2.1 0, 0.0 2,-0.3 0.217 90.4 67.8 -81.8 17.7 69.3 64.1 -16.2 91 192 A F E -e 304 0D 0 212,-0.3 2,-0.3 214,-0.0 -2,-0.3 -0.838 62.1-164.8-130.1 169.7 68.0 61.7 -13.6 92 193 A Y E -e 305 0D 0 212,-1.7 214,-2.1 -2,-0.3 2,-0.7 -0.985 30.7-100.8-153.9 159.8 69.4 58.8 -11.6 93 194 A V E -ef 306 124D 5 30,-2.4 32,-3.0 -2,-0.3 214,-0.2 -0.771 43.8-143.8 -87.4 112.1 68.4 55.8 -9.4 94 195 A S - 0 0 6 212,-2.8 2,-0.1 -2,-0.7 33,-0.1 -0.322 29.0 -80.5 -75.3 158.1 68.9 56.8 -5.7 95 196 A A + 0 0 18 31,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.348 47.2 175.6 -63.1 129.4 70.1 54.5 -3.0 96 197 A T - 0 0 34 29,-0.3 3,-0.3 -2,-0.1 31,-0.2 -0.936 23.6-133.0-140.4 113.4 67.5 52.1 -1.4 97 198 A A S S+ 0 0 14 -2,-0.4 33,-0.3 1,-0.2 31,-0.0 -0.230 78.3 17.8 -67.8 149.4 68.5 49.6 1.2 98 199 A L > + 0 0 64 31,-1.4 3,-1.7 1,-0.1 4,-0.4 0.912 59.4 170.5 58.0 57.4 67.4 45.9 1.1 99 200 A C G >> S+ 0 0 3 -3,-0.3 4,-2.5 1,-0.3 3,-0.6 0.656 71.1 73.1 -69.2 -15.2 66.4 45.5 -2.5 100 201 A K G 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.545 79.5 73.4 -76.5 -5.4 66.1 41.8 -1.9 101 202 A L G <4 S+ 0 0 40 -3,-1.7 -65,-0.3 2,-0.2 -1,-0.2 0.910 115.8 21.9 -70.2 -38.1 63.0 42.4 0.1 102 203 A G T <4 S+ 0 0 8 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.1 0.714 136.6 36.8 -97.4 -29.2 61.3 43.1 -3.2 103 204 A N X + 0 0 17 -4,-2.5 4,-2.4 1,-0.1 -1,-0.2 -0.645 68.6 175.8-125.7 75.9 63.7 41.2 -5.5 104 205 A P T 4 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.801 76.2 45.5 -49.5 -38.1 64.7 38.1 -3.5 105 206 A L T 4 S+ 0 0 128 1,-0.1 -5,-0.1 2,-0.1 -2,-0.1 0.952 132.9 5.0 -78.2 -48.2 66.8 36.6 -6.3 106 207 A E T >4 S+ 0 0 65 1,-0.1 3,-2.3 -7,-0.1 4,-0.3 0.620 75.6 172.3-113.8 -19.5 68.8 39.5 -7.7 107 208 A G T >X S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.3 4,-0.6 -0.121 75.8 1.8 49.1-125.0 68.2 42.5 -5.5 108 209 A E H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.652 123.4 71.8 -67.2 -19.1 70.5 45.4 -6.4 109 210 A K H <> S+ 0 0 41 -3,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.853 96.8 49.8 -66.9 -33.7 72.1 43.4 -9.2 110 211 A D H <> S+ 0 0 14 -3,-0.9 4,-2.6 -4,-0.3 -1,-0.2 0.697 110.3 50.6 -74.9 -24.7 69.0 43.7 -11.3 111 212 A V H X S+ 0 0 9 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.908 111.3 48.4 -75.9 -42.5 69.0 47.4 -10.7 112 213 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.909 116.5 44.3 -60.0 -44.3 72.6 47.5 -11.7 113 214 A R H >X S+ 0 0 42 -4,-2.4 4,-1.7 1,-0.2 3,-0.8 0.974 111.9 49.7 -66.1 -55.6 71.7 45.5 -14.8 114 215 A G H 3< S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.810 110.2 53.6 -54.5 -32.1 68.5 47.5 -15.7 115 216 A C H 3< S+ 0 0 0 -4,-2.2 7,-1.6 1,-0.2 -1,-0.2 0.811 121.5 25.9 -75.1 -32.1 70.5 50.8 -15.4 116 217 A G H << S+ 0 0 1 -4,-1.3 -2,-0.2 -3,-0.8 -1,-0.2 0.388 105.4 75.5-115.4 5.3 73.3 49.9 -17.8 117 218 A Q S < S+ 0 0 46 -4,-1.7 -3,-0.1 202,-0.1 -2,-0.1 0.979 84.3 59.1 -79.6 -61.2 71.8 47.3 -20.1 118 219 A G S S- 0 0 13 -4,-0.5 -3,-0.0 -5,-0.2 205,-0.0 0.365 100.7 -83.9 -60.3-172.0 69.6 49.2 -22.5 119 220 A V S S+ 0 0 128 2,-0.0 2,-0.4 1,-0.0 -1,-0.1 0.876 117.0 57.6 -60.5 -43.2 70.1 52.0 -25.0 120 221 A T S S- 0 0 18 203,-0.1 2,-0.5 -32,-0.0 -2,-0.2 -0.803 75.0-157.1 -95.9 133.9 69.8 54.5 -22.2 121 222 A K - 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0 0 131 -4,-1.1 2,-0.5 -5,-0.2 -4,-0.0 -0.431 62.0-153.7 -68.4 132.5 23.8 70.5 1.8 376 501 A E - 0 0 174 -2,-0.2 -2,-0.1 0, 0.0 -3,-0.1 -0.944 15.7-141.7-108.9 120.9 22.7 68.6 -1.3 377 502 A G - 0 0 42 -2,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.254 26.5 -81.5 -81.9 167.9 24.6 69.4 -4.4 378 503 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.030 45.1-143.0 -56.6 167.7 23.5 69.9 -8.1 379 504 A T - 0 0 130 3,-0.0 2,-0.2 0, 0.0 34,-0.1 -0.984 11.8-113.8-141.2 150.7 22.9 66.8 -10.3 380 505 A L - 0 0 84 -2,-0.3 2,-0.5 1,-0.1 33,-0.1 -0.551 46.6 -96.8 -79.7 145.0 23.4 65.8 -13.9 381 506 A T - 0 0 29 -2,-0.2 36,-0.1 29,-0.1 -1,-0.1 -0.519 48.9-141.2 -67.2 117.2 20.3 65.2 -16.0 382 507 A E - 0 0 146 -2,-0.5 3,-0.1 1,-0.1 -1,-0.1 -0.208 16.3 -92.8 -77.0 167.2 19.8 61.4 -15.9 383 508 A F - 0 0 24 1,-0.1 19,-0.2 19,-0.1 2,-0.2 -0.313 47.4 -90.9 -76.2 161.0 18.6 59.0 -18.7 384 509 A E - 0 0 67 17,-4.7 -1,-0.1 13,-0.2 17,-0.0 -0.524 28.4-139.9 -72.9 138.5 15.0 57.9 -19.2 385 510 A D 0 0 146 -2,-0.2 -1,-0.1 -3,-0.1 16,-0.1 0.905 360.0 360.0 -65.7 -43.2 14.1 54.8 -17.2 386 511 A A 0 0 124 14,-0.1 -2,-0.1 15,-0.1 -1,-0.1 0.353 360.0 360.0-158.7 360.0 12.0 53.3 -20.0 387 !* 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 0.0 388 102 B T > 0 0 119 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 178.5 32.2 44.3 -26.5 389 103 B K T > + 0 0 154 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.750 360.0 76.5 -68.5 -22.7 28.5 43.1 -26.1 390 104 B E T 3> S+ 0 0 66 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.522 71.6 80.1 -65.7 -6.8 28.2 46.1 -23.9 391 105 B D H <> S+ 0 0 77 -3,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.808 93.8 49.8 -68.5 -28.8 28.1 48.4 -27.0 392 106 B I H <> S+ 0 0 98 -3,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.713 100.9 61.3 -79.5 -23.9 24.4 47.2 -27.1 393 107 B A H > S+ 0 0 42 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.841 106.6 47.6 -68.3 -31.3 24.0 48.2 -23.5 394 108 B R H X S+ 0 0 40 -4,-1.2 4,-3.1 2,-0.2 5,-0.3 0.828 102.5 61.3 -75.0 -35.4 24.9 51.6 -24.8 395 109 B K H X S+ 0 0 104 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.782 103.7 52.3 -61.6 -25.6 22.4 51.3 -27.6 396 110 B E H <>S+ 0 0 116 -4,-1.0 5,-1.1 2,-0.2 -2,-0.2 0.951 115.2 39.0 -73.1 -50.7 19.8 51.0 -24.8 397 111 B Q H <>S+ 0 0 59 -4,-1.4 5,-0.6 23,-0.2 4,-0.3 0.993 121.1 44.1 -58.5 -66.9 21.0 54.2 -23.1 398 112 B L H X5S+ 0 0 46 -4,-3.1 4,-0.9 3,-0.2 2,-0.3 0.917 106.8 66.2 -43.1 -63.1 21.6 56.1 -26.4 399 113 B K T <5S- 0 0 147 -4,-1.6 2,-3.4 -5,-0.3 0, 0.0 -0.473 127.6 -28.8 -73.6 129.9 18.4 54.9 -28.0 400 114 B S T 45S+ 0 0 100 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 -0.154 125.3 78.9 62.2 -46.2 15.2 56.2 -26.4 401 115 B L T 4< + 0 0 17 -2,-3.4 -17,-4.7 -5,-1.1 -1,-0.2 0.715 66.1 103.9 -66.2 -20.0 16.7 56.5 -22.9 402 116 B L S < - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.372 39.2-119.1 -56.8 134.6 14.6 65.1 -24.4 405 119 B L G > S+ 0 0 34 1,-0.3 3,-0.7 2,-0.2 299,-0.0 0.694 115.9 58.7 -50.3 -20.7 17.0 67.7 -25.7 406 120 B D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.813 94.6 63.7 -79.7 -28.7 14.8 70.3 -23.9 407 121 B N G < S+ 0 0 82 -3,-2.2 2,-0.8 2,-0.0 -1,-0.2 0.376 77.3 107.9 -75.3 3.6 15.4 68.5 -20.6 408 122 B I < + 0 0 4 -3,-0.7 3,-0.1 -4,-0.2 307,-0.0 -0.782 44.7 178.5 -86.9 114.9 19.1 69.4 -21.0 409 123 B I - 0 0 122 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.834 57.8 -4.0 -86.2 -36.6 19.7 72.2 -18.4 410 124 B N S >> S- 0 0 21 266,-0.0 3,-1.1 1,-0.0 4,-0.8 -0.910 74.6 -89.8-150.1 178.2 23.5 72.8 -18.9 411 125 B L H 3> S+ 0 0 2 264,-0.5 4,-1.2 -2,-0.3 265,-0.1 0.688 116.9 63.0 -66.0 -22.8 26.7 71.8 -20.7 412 126 B Y H 3> S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.760 95.6 62.0 -74.8 -23.2 27.7 69.3 -18.0 413 127 B D H <> S+ 0 0 2 -3,-1.1 4,-2.1 2,-0.2 5,-0.2 0.877 100.7 51.1 -68.2 -39.5 24.5 67.3 -18.9 414 128 B F H X S+ 0 0 0 -4,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.912 109.7 52.5 -62.5 -41.2 25.8 66.7 -22.4 415 129 B E H X S+ 0 0 61 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.881 108.9 47.4 -62.7 -44.4 29.1 65.5 -20.9 416 130 B Y H X S+ 0 0 69 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.977 113.5 46.8 -61.7 -57.3 27.4 62.9 -18.6 417 131 B L H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.907 113.0 52.4 -50.4 -43.9 25.2 61.5 -21.3 418 132 B A H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-1.1 0.896 104.7 52.9 -61.3 -45.3 28.2 61.3 -23.6 419 133 B S H 3< S+ 0 0 25 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.768 113.3 46.3 -62.6 -25.7 30.4 59.4 -21.1 420 134 B Q H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.464 124.1 28.6 -95.6 -5.1 27.6 56.8 -20.8 421 135 B T H << S+ 0 0 5 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.663 93.6 94.1-125.3 -33.4 26.9 56.4 -24.5 422 136 B L S < S- 0 0 10 -4,-2.9 67,-0.1 -5,-0.2 281,-0.0 -0.277 83.7 -97.1 -64.3 150.4 30.0 57.1 -26.5 423 137 B T > - 0 0 72 65,-0.4 4,-3.1 1,-0.1 5,-0.3 -0.298 34.0-109.7 -64.6 152.7 32.3 54.2 -27.4 424 138 B K H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.855 119.9 48.5 -53.8 -36.8 35.3 53.5 -25.2 425 139 B Q H > S+ 0 0 98 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.916 114.3 44.8 -70.2 -44.7 37.6 54.7 -27.9 426 140 B A H > S+ 0 0 0 62,-0.2 4,-2.9 2,-0.2 5,-0.2 0.974 114.8 47.1 -62.7 -55.2 35.6 57.9 -28.6 427 141 B W H X S+ 0 0 65 -4,-3.1 4,-2.9 1,-0.2 5,-0.4 0.897 111.5 51.6 -54.4 -44.8 35.2 58.8 -24.9 428 142 B A H X S+ 0 0 6 -4,-2.0 4,-1.3 -5,-0.3 150,-0.3 0.918 114.8 43.3 -59.4 -42.9 38.8 58.1 -24.2 429 143 B Y H < S+ 0 0 43 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.841 119.7 41.4 -73.3 -36.5 39.9 60.4 -27.0 430 144 B Y H < S+ 0 0 5 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.967 121.4 37.7 -76.4 -51.5 37.3 63.1 -26.3 431 145 B S H < S+ 0 0 6 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.646 95.8 103.2 -76.7 -15.7 37.6 63.2 -22.5 432 146 B S < - 0 0 0 -4,-1.3 2,-0.2 -5,-0.4 143,-0.1 -0.316 42.9-176.4 -77.5 153.2 41.3 62.7 -22.1 433 147 B G - 0 0 1 2,-0.2 144,-0.3 141,-0.1 2,-0.3 -0.723 43.3 -68.8-129.2 178.3 44.1 65.2 -21.4 434 148 B A S > S- 0 0 0 203,-2.9 3,-2.2 -2,-0.2 4,-0.4 -0.580 84.3 -48.8 -81.5 132.8 47.8 64.8 -21.2 435 149 B N T 3 S+ 0 0 23 139,-2.0 -2,-0.2 -2,-0.3 142,-0.1 -0.249 132.2 9.5 53.7-109.8 49.3 62.8 -18.4 436 150 B D T 3 S- 0 0 43 -2,-0.3 -1,-0.3 140,-0.0 -2,-0.1 0.461 89.3-133.3 -82.8 -0.6 47.9 63.8 -15.0 437 151 B E <> + 0 0 29 -3,-2.2 4,-1.3 200,-0.2 -2,-0.1 0.830 63.4 134.7 52.5 34.0 45.2 66.0 -16.6 438 152 B V H > S+ 0 0 25 -4,-0.4 4,-4.1 2,-0.2 5,-0.2 0.958 71.5 42.4 -75.3 -52.9 46.1 68.8 -14.1 439 153 B T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.871 110.5 58.6 -60.2 -41.1 46.2 71.6 -16.7 440 154 B H H > S+ 0 0 32 197,-0.4 4,-0.5 -6,-0.2 -1,-0.2 0.950 117.4 32.2 -53.0 -51.8 43.0 70.2 -18.3 441 155 B R H >X S+ 0 0 135 -4,-1.3 4,-2.1 1,-0.2 3,-1.2 0.889 113.5 61.3 -74.0 -38.7 41.2 70.6 -15.0 442 156 B E H 3X S+ 0 0 13 -4,-4.1 4,-2.4 1,-0.3 -2,-0.2 0.828 92.8 67.6 -57.1 -31.1 43.2 73.7 -13.9 443 157 B N H 3< S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.3 0.870 109.1 36.5 -57.3 -39.1 41.8 75.5 -17.0 444 158 B H H XX S+ 0 0 37 -3,-1.2 3,-1.9 -4,-0.5 4,-0.6 0.951 112.2 56.9 -77.3 -54.0 38.4 75.4 -15.4 445 159 B N H >< S+ 0 0 83 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.828 96.5 65.6 -46.3 -42.4 39.4 75.9 -11.7 446 160 B A G >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 -1,-0.3 0.798 90.5 63.3 -56.2 -31.3 41.2 79.1 -12.5 447 161 B Y G X4 S+ 0 0 1 -3,-1.9 3,-1.4 -4,-0.4 -1,-0.3 0.836 95.3 62.5 -62.5 -27.0 37.9 80.8 -13.5 448 162 B H G << S+ 0 0 113 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.440 88.0 69.0 -79.5 1.7 36.8 80.2 -9.9 449 163 B R G < S+ 0 0 28 -3,-1.8 295,-0.5 -4,-0.2 2,-0.4 0.361 92.0 74.3 -97.1 2.0 39.6 82.5 -8.7 450 164 B I < - 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