==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-APR-04 1SZE . COMPND 2 MOLECULE: CYTOCHROME B2, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.G.MOWAT,A.WEHENKEL,A.J.GREEN,M.D.WALKINSHAW,G.A.REID,S.K.C . 780 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.9 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 . 3 0.4 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 . 54 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 3 3 5 3 5 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 5 2 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 . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 1 100 A G 0 0 78 0, 0.0 2,-0.2 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 47.1 74.6 75.4 -9.2 2 101 A E - 0 0 61 36,-0.0 2,-0.2 2,-0.0 36,-0.0 -0.665 360.0-162.7-107.4 152.2 76.0 77.3 -6.1 3 102 A T - 0 0 75 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 -0.499 57.7 -75.4-143.3 64.5 76.9 81.0 -5.8 4 103 A K S S+ 0 0 179 -2,-0.2 4,-0.3 1,-0.1 3,-0.0 0.833 104.6 114.5 28.2 34.0 79.1 82.5 -2.9 5 104 A E > + 0 0 46 2,-0.2 4,-2.7 1,-0.1 5,-0.2 0.594 47.1 89.5 -82.9 -34.5 75.7 81.8 -1.2 6 105 A D H > S+ 0 0 77 1,-0.2 4,-3.0 2,-0.2 -1,-0.1 0.701 85.2 51.9 -28.3 -35.1 77.9 79.3 0.7 7 106 A I H > S+ 0 0 125 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.959 106.0 50.1 -76.4 -52.2 78.5 82.2 3.0 8 107 A A H 4 S+ 0 0 60 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.906 120.8 39.6 -44.0 -48.7 74.7 83.0 3.5 9 108 A R H >X S+ 0 0 36 -4,-2.7 3,-3.0 1,-0.2 4,-1.7 0.967 112.3 52.0 -63.3 -62.2 74.5 79.2 4.3 10 109 A K H 3X S+ 0 0 129 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.752 103.3 64.4 -45.9 -29.1 77.8 78.8 6.4 11 110 A E H 3< S+ 0 0 108 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.571 106.9 40.3 -72.0 -13.3 76.4 81.8 8.4 12 111 A Q H <>>S+ 0 0 62 -3,-3.0 5,-1.5 -5,-0.2 4,-1.0 0.818 109.6 52.7-106.6 -49.9 73.4 79.6 9.6 13 112 A L H X5S+ 0 0 64 -4,-1.7 4,-0.7 3,-0.2 2,-0.2 0.954 97.7 96.9 -39.9 -47.5 75.2 76.4 10.2 14 113 A K H <5S- 0 0 115 -4,-1.8 2,-2.8 -5,-0.3 -3,-0.0 -0.263 121.2 -63.1 -53.6 106.0 77.1 79.0 12.1 15 114 A S H 45S+ 0 0 111 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.412 125.1 93.7 39.8 0.5 75.9 78.9 15.7 16 115 A L H <5 + 0 0 90 -2,-2.8 -1,-0.3 -4,-1.0 -3,-0.2 0.758 59.2 92.8 -94.9 -31.3 72.6 80.0 14.2 17 116 A L S < - 0 0 79 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.229 42.1-116.7 -56.3 148.1 71.2 73.7 20.1 20 119 A L G > S+ 0 0 39 1,-0.3 3,-1.6 2,-0.2 304,-0.0 0.857 114.2 61.6 -57.0 -35.1 70.4 70.0 19.5 21 120 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 570,-0.0 0, 0.0 0.481 93.2 67.0 -71.3 0.2 68.2 69.9 22.7 22 121 A N G < S+ 0 0 49 -3,-2.0 2,-0.5 -4,-0.0 -1,-0.3 0.550 73.5 103.3 -96.9 -8.7 66.0 72.5 21.0 23 122 A I < + 0 0 7 -3,-1.6 3,-0.1 -4,-0.3 -3,-0.0 -0.656 43.4 174.6 -72.1 117.4 64.9 70.1 18.3 24 123 A I + 0 0 14 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.820 59.5 6.8 -90.5 -44.9 61.3 69.0 19.3 25 124 A N S >> S- 0 0 14 559,-0.0 3,-1.7 271,-0.0 4,-0.8 -0.885 75.2 -98.6-143.9 171.0 60.4 66.9 16.2 26 125 A L H 3> S+ 0 0 3 269,-0.4 4,-1.0 1,-0.3 3,-0.1 0.771 113.8 67.1 -67.3 -28.3 61.6 65.4 13.0 27 126 A Y H 3> S+ 0 0 66 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.742 92.5 63.8 -63.8 -21.0 60.2 68.2 10.9 28 127 A D H X> S+ 0 0 47 -3,-1.7 4,-2.4 1,-0.2 3,-0.5 0.931 99.8 49.3 -70.7 -46.0 62.7 70.5 12.5 29 128 A F H 3X S+ 0 0 0 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.817 108.9 55.8 -55.7 -31.6 65.7 68.8 11.0 30 129 A E H 3X S+ 0 0 62 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.817 110.2 43.6 -76.4 -29.1 64.0 68.9 7.7 31 130 A Y H > - 0 0 61 65,-0.4 4,-2.3 1,-0.1 3,-2.3 -0.445 44.7-101.1 -63.1 133.4 73.9 73.0 -0.8 39 138 A K H 3> S+ 0 0 72 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.638 122.7 38.2 -23.9 -41.6 71.2 73.6 -3.5 40 139 A Q H 3> S+ 0 0 62 2,-0.2 4,-0.9 3,-0.1 -1,-0.3 0.639 109.3 57.7-100.6 -18.7 71.8 70.2 -5.1 41 140 A A H <> S+ 0 0 0 -3,-2.3 4,-2.1 62,-0.2 5,-0.2 0.877 111.7 47.2 -63.7 -41.6 72.3 68.2 -1.9 42 141 A W H X S+ 0 0 65 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.923 111.2 49.5 -66.5 -41.9 68.8 69.6 -1.0 43 142 A A H X S+ 0 0 5 -4,-1.1 4,-0.7 -5,-0.3 150,-0.3 0.773 112.6 47.7 -66.5 -26.5 67.4 68.6 -4.4 44 143 A Y H < S+ 0 0 36 -4,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.866 117.8 39.2 -88.9 -33.1 68.7 65.1 -4.2 45 144 A Y H < S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.965 121.3 40.7 -73.6 -51.7 67.5 64.4 -0.7 46 145 A S H < S+ 0 0 7 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.631 96.2 100.2 -74.5 -17.4 64.1 66.1 -0.8 47 146 A S < - 0 0 0 -4,-0.7 2,-0.3 -5,-0.3 143,-0.1 -0.245 43.2-176.5 -88.7 160.8 63.0 65.1 -4.3 48 147 A G - 0 0 0 2,-0.2 143,-0.5 141,-0.1 2,-0.3 -0.831 41.2 -59.6-139.0-178.4 60.7 62.5 -5.7 49 148 A A S > S- 0 0 0 208,-2.5 3,-2.0 -2,-0.3 4,-0.3 -0.445 84.7 -53.4 -76.4 123.9 59.6 61.2 -9.1 50 149 A N T 3 S+ 0 0 57 139,-2.5 -2,-0.2 -2,-0.3 141,-0.2 -0.196 129.6 8.0 54.1-133.5 57.8 63.6 -11.5 51 150 A D T 3 S- 0 0 55 1,-0.1 715,-0.4 139,-0.1 -1,-0.3 0.544 97.2-130.2 -60.2 -10.2 54.8 65.5 -10.0 52 151 A E <> + 0 0 25 -3,-2.0 4,-1.2 205,-0.1 5,-0.2 0.641 62.2 135.4 78.0 25.1 55.8 64.0 -6.6 53 152 A V H > + 0 0 8 -4,-0.3 4,-3.0 2,-0.2 3,-0.3 0.921 67.3 49.7 -76.3 -42.6 52.5 62.6 -5.5 54 153 A T H > S+ 0 0 0 1,-0.2 4,-2.1 -5,-0.2 -1,-0.2 0.928 107.0 57.8 -59.9 -46.1 53.4 59.2 -4.2 55 154 A H H > S+ 0 0 31 202,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.874 115.7 34.5 -47.2 -47.7 56.1 60.8 -2.1 56 155 A R H >X S+ 0 0 58 -4,-1.2 4,-2.3 -3,-0.3 3,-0.7 0.880 114.7 56.8 -75.2 -44.4 53.5 63.0 -0.3 57 156 A E H 3X S+ 0 0 8 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.725 94.6 69.1 -60.1 -23.8 50.7 60.4 -0.4 58 157 A N H 3X S+ 0 0 2 -4,-2.1 4,-0.6 -5,-0.2 209,-0.2 0.914 109.6 34.7 -64.8 -42.4 53.1 58.0 1.5 59 158 A H H XX S+ 0 0 30 -3,-0.7 3,-1.2 -4,-0.6 4,-0.6 0.943 114.4 54.5 -70.1 -52.6 52.7 60.2 4.5 60 159 A N H >< S+ 0 0 42 -4,-2.3 3,-1.9 1,-0.3 4,-0.4 0.858 96.9 66.3 -65.7 -32.2 49.2 61.4 4.1 61 160 A A H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.3 -1,-0.3 0.905 90.0 64.1 -50.4 -44.0 47.9 57.9 4.0 62 161 A Y H X< S+ 0 0 1 -3,-1.2 3,-1.1 -4,-0.6 -1,-0.3 0.842 97.8 60.2 -45.2 -34.0 49.0 57.4 7.6 63 162 A H T << S+ 0 0 41 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.480 87.1 68.6 -79.7 -11.7 46.3 60.1 8.3 64 163 A R T < S+ 0 0 2 -3,-2.5 2,-0.4 -4,-0.4 300,-0.4 0.325 93.7 78.3 -78.9 3.5 43.4 58.1 6.9 65 164 A I < - 0 0 0 -3,-1.1 2,-0.3 -4,-0.3 297,-0.2 -0.950 61.6-179.4-115.8 137.7 44.0 55.8 10.0 66 165 A F E -A 361 0A 6 295,-1.5 295,-3.2 -2,-0.4 2,-0.3 -0.767 22.1-104.6-128.9 173.3 42.9 56.6 13.5 67 166 A F E -Ab 360 653A 0 585,-2.8 587,-0.6 293,-0.3 293,-0.3 -0.700 8.0-159.4-107.8 153.1 43.1 55.0 16.9 68 167 A K - 0 0 36 291,-3.6 557,-0.1 -2,-0.3 585,-0.1 -0.723 33.3-158.7-124.0 75.3 40.8 53.1 19.3 69 168 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 555,-0.3 -0.340 11.9-130.5 -66.6 142.1 42.8 53.7 22.5 70 169 A K - 0 0 63 277,-2.4 3,-0.3 553,-0.1 2,-0.2 -0.833 27.8-158.6 -89.8 123.6 42.3 51.3 25.5 71 170 A I + 0 0 8 -2,-0.5 533,-0.1 1,-0.2 505,-0.1 -0.564 63.6 33.6 -99.7 161.5 41.7 53.3 28.7 72 171 A L S S+ 0 0 10 503,-0.6 532,-0.7 1,-0.2 2,-0.4 0.855 82.5 139.4 61.9 40.5 42.2 52.3 32.4 73 172 A V - 0 0 46 -3,-0.3 2,-1.1 530,-0.2 -1,-0.2 -0.905 65.2-109.8-115.8 138.4 45.2 50.1 31.6 74 173 A D + 0 0 73 -2,-0.4 527,-0.2 527,-0.2 3,-0.2 -0.640 48.7 162.6 -67.5 98.9 48.3 49.9 33.7 75 174 A V + 0 0 3 525,-2.0 526,-0.2 -2,-1.1 -1,-0.1 -0.292 30.9 118.7-115.4 40.6 50.7 51.6 31.3 76 175 A R S S+ 0 0 139 524,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.876 76.7 37.6 -72.1 -36.1 53.4 52.4 33.8 77 176 A K S S- 0 0 181 -3,-0.2 2,-0.4 523,-0.1 -1,-0.2 -0.953 70.5-176.0-129.1 131.7 56.0 50.4 32.0 78 177 A V - 0 0 17 -2,-0.4 2,-0.6 -3,-0.1 273,-0.2 -0.992 12.2-157.9-139.6 130.6 56.3 50.1 28.3 79 178 A D B +c 351 0B 89 271,-3.3 273,-0.5 -2,-0.4 12,-0.0 -0.924 11.1 177.3-117.4 112.5 58.7 48.1 26.1 80 179 A I + 0 0 9 -2,-0.6 2,-0.2 10,-0.2 -1,-0.1 0.291 47.4 111.4 -96.6 11.7 59.3 49.3 22.6 81 180 A S + 0 0 23 10,-0.1 271,-0.6 11,-0.1 2,-0.2 -0.553 34.9 154.8 -85.3 152.2 61.8 46.5 21.7 82 181 A T E -D 89 0C 13 7,-1.1 7,-2.3 9,-0.2 2,-0.4 -0.779 39.8 -91.7-152.2-167.6 61.0 43.8 19.1 83 182 A D E -D 88 0C 80 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.978 28.3-168.7-127.5 136.2 62.9 41.4 16.8 84 183 A M E > S-D 87 0C 0 3,-1.4 3,-2.1 -2,-0.4 226,-0.0 -0.982 70.0 -22.8-124.9 126.1 63.9 41.9 13.1 85 184 A L T 3 S- 0 0 16 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.854 126.3 -49.7 52.2 39.3 65.3 39.3 10.8 86 185 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.115 117.9 101.4 87.5 -26.7 66.5 37.2 13.7 87 186 A S E < S-D 84 0C 28 -3,-2.1 -3,-1.4 89,-0.1 2,-0.5 -0.519 72.1-125.9 -75.4 157.7 68.3 39.9 15.7 88 187 A H E -D 83 0C 126 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.948 33.3-165.6-101.4 132.0 66.6 41.4 18.7 89 188 A V E -D 82 0C 5 -7,-2.3 -7,-1.1 -2,-0.5 35,-0.1 -0.784 28.8-128.5-121.0 160.6 66.6 45.2 18.4 90 189 A D S S+ 0 0 53 33,-1.1 -10,-0.2 -2,-0.3 34,-0.1 0.666 91.5 29.3 -77.0 -15.5 65.9 48.1 20.9 91 190 A V S S- 0 0 0 32,-0.3 -9,-0.2 2,-0.2 -10,-0.1 -0.954 73.2-123.7-155.4 147.2 63.4 49.8 18.7 92 191 A P S S+ 0 0 0 0, 0.0 219,-1.8 0, 0.0 2,-0.3 0.125 88.1 71.0 -92.9 21.0 60.7 48.9 16.1 93 192 A F E -e 311 0D 0 217,-0.2 2,-0.3 240,-0.0 219,-0.2 -0.908 58.9-164.1-133.3 164.6 62.2 51.2 13.4 94 193 A Y E -e 312 0D 0 217,-1.5 219,-1.7 -2,-0.3 2,-0.8 -0.932 29.5-106.7-145.0 160.6 65.3 51.4 11.3 95 194 A V E -ef 313 126D 8 30,-2.1 32,-2.5 -2,-0.3 219,-0.2 -0.860 40.2-144.7 -90.2 106.5 67.3 53.8 9.1 96 195 A S - 0 0 7 217,-2.3 33,-0.1 -2,-0.8 2,-0.1 -0.270 33.4 -81.9 -66.6 161.1 66.6 52.8 5.5 97 196 A A - 0 0 16 31,-0.2 2,-0.4 29,-0.1 31,-0.2 -0.378 47.0-178.1 -69.0 145.6 69.5 53.1 3.0 98 197 A T - 0 0 37 29,-0.2 31,-0.3 -2,-0.1 3,-0.3 -0.971 19.4-133.5-149.1 114.6 70.2 56.4 1.5 99 198 A A S S+ 0 0 20 -2,-0.4 33,-0.2 1,-0.2 31,-0.0 -0.326 75.9 18.3 -72.8 157.6 72.9 57.0 -1.1 100 199 A L > + 0 0 66 31,-1.2 3,-1.0 1,-0.1 4,-0.3 0.884 58.0 170.6 55.2 61.5 75.5 59.9 -1.0 101 200 A C T 3> + 0 0 1 -3,-0.3 4,-0.9 1,-0.2 3,-0.4 0.537 68.8 72.1 -80.0 -4.9 75.5 61.1 2.6 102 201 A K T 34 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.784 77.4 75.7 -80.5 -22.7 78.5 63.2 2.1 103 202 A L T <4 S+ 0 0 54 -3,-1.0 -65,-0.4 1,-0.2 -1,-0.2 0.853 116.6 20.7 -52.2 -31.7 76.5 65.8 0.0 104 203 A G T 4 S+ 0 0 11 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.507 139.0 31.9-115.1 -11.0 75.1 66.9 3.4 105 204 A N S X S+ 0 0 15 -4,-0.9 4,-2.0 1,-0.1 3,-0.4 -0.680 71.8 176.6-145.1 78.5 77.8 65.6 5.8 106 205 A P T 4 S+ 0 0 89 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.812 71.6 50.8 -68.9 -33.0 80.9 65.9 3.8 107 206 A L T 4 S+ 0 0 139 1,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.847 130.6 3.7 -69.2 -41.2 83.4 64.8 6.4 108 207 A E T >4 S+ 0 0 58 -3,-0.4 3,-1.8 -7,-0.2 4,-0.4 0.653 74.9 169.5-128.5 -27.0 81.8 61.5 7.7 109 208 A G T >X S+ 0 0 0 -4,-2.0 4,-0.9 -8,-0.3 3,-0.8 -0.109 75.7 4.5 50.0-123.0 78.7 60.7 5.7 110 209 A E H 3> S+ 0 0 5 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.769 124.3 67.3 -71.7 -26.2 77.4 57.2 6.4 111 210 A K H <> S+ 0 0 32 -3,-1.8 4,-1.4 1,-0.2 -1,-0.3 0.869 99.1 52.5 -58.3 -41.5 80.0 56.6 9.2 112 211 A D H <> S+ 0 0 16 -3,-0.8 4,-2.2 -4,-0.4 -1,-0.2 0.773 107.6 49.8 -66.1 -31.7 78.2 59.3 11.2 113 212 A V H X S+ 0 0 11 -4,-0.9 4,-2.4 -3,-0.2 5,-0.2 0.981 107.0 55.6 -70.9 -47.7 74.9 57.6 10.8 114 213 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.768 113.2 42.6 -49.9 -32.3 76.5 54.3 11.9 115 214 A R H X S+ 0 0 49 -4,-1.4 4,-1.8 2,-0.2 -1,-0.3 0.874 108.8 56.1 -79.7 -45.6 77.7 56.0 15.1 116 215 A G H X S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.866 113.8 44.0 -49.3 -37.3 74.4 57.9 15.7 117 216 A C H < S+ 0 0 0 -4,-2.4 7,-0.7 1,-0.2 -2,-0.2 0.921 121.4 33.7 -80.3 -46.8 72.7 54.5 15.6 118 217 A G H < S+ 0 0 0 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.442 105.7 70.3 -90.1 -0.8 75.1 52.4 17.8 119 218 A Q H < S+ 0 0 46 -4,-1.8 -1,-0.1 3,-0.1 -3,-0.1 0.891 83.0 63.0 -89.3 -39.2 76.3 55.0 20.3 120 219 A G S < S- 0 0 11 -4,-0.5 210,-0.0 2,-0.4 -4,-0.0 -0.041 95.2 -92.9 -82.3-176.9 73.4 55.9 22.7 121 220 A V S S+ 0 0 130 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.792 118.4 58.2 -62.8 -26.9 71.4 53.9 25.2 122 221 A T S S- 0 0 21 208,-0.1 -2,-0.4 2,-0.0 2,-0.4 -0.932 76.9-168.9-108.8 119.1 68.9 53.3 22.4 123 222 A K - 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0 0 76 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.004 360.0 -86.1-157.1 47.2 59.2 91.4 26.3 397 103 B K S S+ 0 0 170 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.914 113.6 90.1 33.8 43.1 57.9 95.1 27.1 398 104 B E > + 0 0 49 2,-0.1 4,-1.3 3,-0.0 -1,-0.2 0.049 57.7 82.1-142.2 -3.4 55.5 94.2 24.3 399 105 B D H > S+ 0 0 74 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.064 86.6 66.5 -65.7 12.5 53.2 93.0 27.0 400 106 B I H > S+ 0 0 111 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.739 96.9 44.1-101.9 -45.7 53.0 96.8 26.6 401 107 B A H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.849 115.4 53.9 -55.6 -38.2 51.4 96.3 23.2 402 108 B R H X S+ 0 0 31 -4,-1.3 4,-1.8 2,-0.2 5,-0.3 0.958 105.9 47.6 -62.0 -52.2 49.4 93.6 25.1 403 109 B K H X S+ 0 0 138 -4,-0.8 4,-1.4 1,-0.2 -1,-0.2 0.803 107.0 59.9 -68.7 -25.5 48.2 96.0 27.8 404 110 B E H <>S+ 0 0 79 -4,-1.6 5,-0.6 2,-0.2 -1,-0.2 0.978 106.7 47.3 -49.9 -60.6 47.2 98.5 25.0 405 111 B Q H <>S+ 0 0 58 -4,-1.7 5,-0.6 1,-0.2 4,-0.5 0.908 114.1 41.8 -57.1 -55.7 44.9 95.9 23.5 406 112 B L H <5S+ 0 0 60 -4,-1.8 2,-0.7 3,-0.2 4,-0.4 0.827 94.4 95.9 -69.7 -24.7 43.0 94.7 26.6 407 113 B K T <5S- 0 0 125 -4,-1.4 2,-3.0 -5,-0.3 -4,-0.0 -0.537 122.3 -54.2 -65.2 107.4 42.8 98.4 27.8 408 114 B S T 5S+ 0 0 110 -2,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.269 125.2 96.4 52.2 -15.9 39.4 99.6 26.7 409 115 B L T < + 0 0 19 -2,-3.0 -18,-1.0 -5,-0.6 -1,-0.3 0.778 58.2 97.8 -83.0 -27.1 40.4 98.4 23.2 410 116 B L S - 0 0 60 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.229 47.6-117.2 -42.1 128.7 32.1 96.3 24.6 413 119 B L G > S+ 0 0 41 1,-0.3 3,-1.2 2,-0.2 301,-0.0 0.771 114.6 61.1 -45.4 -31.8 31.3 92.9 25.9 414 120 B D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 -0.029 89.5 70.1 -92.2 33.4 27.9 93.1 24.1 415 121 B N G < S+ 0 0 77 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.2 0.232 75.3 105.3-115.4 3.6 29.7 93.4 20.7 416 122 B I < + 0 0 4 -3,-1.2 3,-0.1 -4,-0.2 -3,-0.0 -0.733 37.8 166.9 -87.6 131.8 30.7 89.8 21.0 417 123 B I + 0 0 112 -2,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.782 57.2 31.5-109.7 -46.3 28.8 87.4 18.7 418 124 B N S > S- 0 0 19 1,-0.1 4,-0.8 268,-0.0 -1,-0.2 -0.676 71.6-118.9-110.9 170.2 30.7 84.1 18.7 419 125 B L H > S+ 0 0 1 266,-0.5 4,-1.6 -2,-0.2 267,-0.1 0.618 116.7 64.5 -72.3 -23.2 32.8 82.0 20.9 420 126 B Y H > S+ 0 0 63 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.845 92.6 60.4 -68.6 -34.9 35.4 82.6 18.2 421 127 B D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 104.4 49.0 -61.5 -46.4 35.4 86.3 18.9 422 128 B F H X S+ 0 0 0 -4,-0.8 4,-3.1 1,-0.2 5,-0.3 0.964 111.1 51.3 -50.0 -54.5 36.6 85.5 22.5 423 129 B E H X S+ 0 0 60 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.867 109.3 48.8 -57.7 -40.5 39.3 83.3 21.0 424 130 B Y H X S+ 0 0 70 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.963 113.6 46.7 -63.0 -49.2 40.5 85.9 18.6 425 131 B L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.907 113.7 47.4 -61.2 -44.6 40.7 88.5 21.4 426 132 B A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.833 106.1 61.2 -64.4 -33.6 42.5 86.1 23.8 427 133 B S H < S+ 0 0 29 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.878 109.2 40.5 -61.2 -38.0 44.9 85.2 21.0 428 134 B Q H < S+ 0 0 85 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.757 123.1 37.4 -81.4 -26.7 46.1 88.7 20.8 429 135 B T H < S+ 0 0 7 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.901 86.7 88.2-102.1 -48.6 46.3 89.5 24.5 430 136 B L S < S- 0 0 10 -4,-1.6 67,-0.1 -5,-0.1 66,-0.0 -0.011 89.0 -87.1 -51.0 161.6 47.4 86.6 26.8 431 137 B T >> - 0 0 56 65,-0.4 4,-2.5 1,-0.1 3,-0.9 -0.309 43.9-104.5 -68.4 155.6 51.1 86.1 27.5 432 138 B K H 3> S+ 0 0 110 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.824 123.8 42.7 -52.9 -31.5 52.9 84.0 24.9 433 139 B Q H 3> S+ 0 0 58 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.628 109.1 54.1 -95.0 -20.7 52.9 81.2 27.4 434 140 B A H <> S+ 0 0 0 -3,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.842 114.5 45.2 -74.0 -35.4 49.3 81.6 28.6 435 141 B W H X S+ 0 0 64 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.893 111.3 50.8 -73.5 -45.1 48.3 81.4 25.0 436 142 B A H X S+ 0 0 6 -4,-1.7 4,-1.6 -5,-0.3 150,-0.3 0.921 111.2 49.8 -57.0 -44.6 50.5 78.4 24.2 437 143 B Y H < S+ 0 0 49 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.798 117.4 39.1 -71.9 -28.1 49.2 76.5 27.2 438 144 B Y H < S+ 0 0 3 -4,-1.1 -2,-0.2 -3,-0.1 -1,-0.2 0.951 121.8 37.6 -85.4 -50.8 45.5 77.2 26.3 439 145 B S H < S+ 0 0 11 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.903 93.1 111.2 -72.0 -49.1 45.5 76.8 22.4 440 146 B S < - 0 0 0 -4,-1.6 2,-0.2 -5,-0.4 143,-0.1 0.274 41.7-177.0 -15.4 141.1 48.1 73.9 22.3 441 147 B G - 0 0 0 2,-0.2 2,-0.4 141,-0.1 143,-0.4 -0.778 39.5 -67.2-138.3-180.0 47.2 70.4 21.3 442 148 B A S > S- 0 0 0 205,-3.3 3,-2.2 -2,-0.2 2,-0.4 -0.613 84.7 -52.7 -79.5 126.6 49.1 67.1 21.1 443 149 B N T 3 S+ 0 0 19 139,-2.6 141,-0.2 -2,-0.4 -2,-0.2 -0.287 130.7 5.9 56.5-106.2 51.9 66.8 18.5 444 150 B D T 3 S- 0 0 41 -2,-0.4 -1,-0.3 139,-0.0 -2,-0.1 0.400 94.0-129.5 -93.0 -1.5 50.5 67.8 15.0 445 151 B E <> + 0 0 27 -3,-2.2 4,-1.5 202,-0.2 5,-0.2 0.567 63.8 134.9 63.8 18.8 47.2 68.9 16.4 446 152 B V H > S+ 0 0 21 -4,-0.2 4,-3.2 2,-0.2 3,-0.4 0.950 72.8 47.1 -60.2 -48.0 45.0 66.9 14.0 447 153 B T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 107.3 57.0 -62.6 -45.1 42.6 65.5 16.7 448 154 B H H > S+ 0 0 33 199,-0.5 4,-0.6 -6,-0.2 -1,-0.2 0.878 117.3 35.1 -48.7 -44.0 42.2 68.9 18.3 449 155 B R H >X S+ 0 0 130 -4,-1.5 4,-2.6 -3,-0.4 3,-0.9 0.907 114.8 54.2 -78.4 -48.3 40.9 70.2 15.0 450 156 B E H 3X S+ 0 0 18 -4,-3.2 4,-2.1 1,-0.3 -2,-0.2 0.791 97.5 68.1 -54.8 -31.8 39.1 67.0 13.8 451 157 B N H 3< S+ 0 0 2 -4,-2.7 206,-0.3 -5,-0.2 4,-0.3 0.913 111.7 33.2 -52.1 -46.0 37.2 67.2 17.2 452 158 B H H X< S+ 0 0 29 -3,-0.9 3,-1.9 -4,-0.6 4,-0.5 0.951 116.5 52.4 -75.3 -55.2 35.6 70.3 15.8 453 159 B N H >< S+ 0 0 80 -4,-2.6 3,-1.2 1,-0.3 4,-0.3 0.726 94.3 72.9 -60.3 -21.5 35.4 69.5 12.1 454 160 B A G >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.780 87.3 63.3 -69.5 -21.3 33.7 66.2 12.7 455 161 B Y G X S+ 0 0 1 -3,-1.9 3,-1.4 -4,-0.3 -1,-0.3 0.819 94.2 63.8 -64.9 -29.9 30.5 68.1 13.6 456 162 B H G < S+ 0 0 110 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.549 87.5 67.2 -75.0 -11.6 30.5 69.3 10.1 457 163 B R G < S+ 0 0 34 -3,-1.1 2,-0.4 -4,-0.3 297,-0.4 0.537 94.5 73.8 -77.6 -7.0 30.0 65.8 8.7 458 164 B I < - 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