==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 04-FEB-10 3AEB . COMPND 2 MOLECULE: SUCCINATE DEHYDROGENASE [UBIQUINONE] FLAVOPROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.HARADA,T.SASAKI,M.SHINDO,Y.KIDO,D.K.INAOKA,J.OMORI,A.OSANA . 1092 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 758 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 76 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.3 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 2 3 2 1 3 1 1 3 2 3 1 2 0 0 0 1 0 1 0 1 0 2 1 0 1 2 0 RESIDUES PER ALPHA HELIX . 1 3 2 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 PARALLEL BRIDGES PER LADDER . 7 4 2 2 2 1 0 3 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 2 1 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 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 10 A S 0 0 74 0, 0.0 438,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.2 12.7 -36.7 25.7 2 11 A T + 0 0 156 2,-0.5 0, 0.0 1,-0.2 0, 0.0 0.432 360.0 60.9 62.8 0.3 12.7 -39.3 28.5 3 12 A Q S S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.0 0, 0.0 0.356 100.6 61.7-124.5 -11.7 12.1 -36.4 31.0 4 13 A Y S S- 0 0 10 188,-0.0 -2,-0.5 2,-0.0 2,-0.3 -0.978 79.9-137.9-117.8 124.7 8.8 -35.6 29.3 5 14 A P - 0 0 77 0, 0.0 188,-2.1 0, 0.0 2,-0.5 -0.643 15.5-154.2 -78.1 135.3 5.9 -38.0 29.2 6 15 A V E -a 193 0A 86 -2,-0.3 2,-0.6 186,-0.1 188,-0.2 -0.955 8.0-169.4-114.3 119.3 4.0 -38.2 25.8 7 16 A V E -a 194 0A 61 186,-2.5 188,-1.0 -2,-0.5 2,-0.4 -0.926 10.6-152.0-111.2 114.1 0.4 -39.3 25.8 8 17 A D E -a 195 0A 82 -2,-0.6 2,-0.3 186,-0.2 188,-0.2 -0.722 13.3-172.1 -89.5 127.8 -1.1 -40.0 22.3 9 18 A H E -a 196 0A 47 186,-3.1 188,-1.6 -2,-0.4 2,-0.4 -0.750 10.2-147.9-111.6 162.8 -4.9 -39.5 21.8 10 19 A E E +a 197 0A 105 -2,-0.3 2,-0.3 186,-0.2 188,-0.2 -0.981 26.1 152.4-138.2 123.8 -7.0 -40.4 18.8 11 20 A F - 0 0 19 186,-2.5 188,-0.4 -2,-0.4 25,-0.2 -0.906 49.0-123.6-140.9 166.7 -10.2 -38.5 17.6 12 21 A D S S+ 0 0 19 23,-2.4 187,-1.3 1,-0.3 188,-1.1 0.889 97.6 5.0 -74.3 -44.0 -12.3 -37.8 14.5 13 22 A A E -de 36 200B 0 22,-1.4 24,-2.6 185,-0.2 2,-0.4 -0.994 61.4-153.0-144.9 145.2 -12.0 -34.0 15.0 14 23 A V E -de 37 201B 0 186,-2.2 188,-3.1 -2,-0.3 2,-0.5 -0.986 6.2-163.2-119.7 130.8 -10.2 -31.6 17.3 15 24 A V E -de 38 202B 0 22,-2.6 24,-3.0 -2,-0.4 2,-0.8 -0.968 6.3-156.9-110.1 125.5 -11.4 -28.1 18.1 16 25 A V E +de 39 203B 6 186,-3.5 188,-3.2 -2,-0.5 24,-0.2 -0.862 64.3 47.5-103.7 97.9 -8.9 -25.7 19.7 17 26 A G - 0 0 9 22,-1.4 9,-0.2 -2,-0.8 188,-0.2 -0.421 54.2-152.1 141.3 142.1 -10.9 -23.1 21.5 18 27 A A + 0 0 3 -2,-0.2 29,-0.2 4,-0.2 187,-0.1 0.083 63.7 100.9-128.3 22.2 -13.8 -23.0 24.0 19 28 A G S > S- 0 0 14 185,-0.5 4,-2.6 27,-0.1 5,-0.3 0.142 98.5 -63.9 -80.5-154.6 -15.3 -19.6 23.2 20 29 A G H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.977 139.6 38.0 -58.5 -58.3 -18.4 -19.0 21.1 21 30 A A H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.941 117.1 52.0 -57.6 -51.7 -16.9 -20.4 17.9 22 31 A G H > S+ 0 0 0 182,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.896 114.8 40.7 -54.5 -49.8 -15.0 -23.2 19.8 23 32 A L H X>S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.5 0.964 113.7 51.0 -64.4 -55.3 -18.0 -24.5 21.6 24 33 A R H X5S+ 0 0 8 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.843 116.6 42.5 -53.7 -39.3 -20.5 -24.2 18.7 25 34 A A H X5S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.908 112.4 55.2 -71.2 -44.3 -18.1 -26.1 16.5 26 35 A A H X5S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 3,-0.3 0.958 117.9 30.3 -56.6 -61.1 -17.2 -28.6 19.2 27 36 A F H X5S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.738 114.1 64.5 -74.9 -21.9 -20.7 -29.9 20.0 28 37 A G H XS+ 0 0 0 -4,-2.2 5,-2.4 -3,-0.3 -2,-0.2 0.893 113.8 48.0 -66.7 -44.1 -19.3 -31.9 15.4 30 39 A S H ><5S+ 0 0 10 -4,-1.6 3,-1.3 3,-0.2 -2,-0.2 0.863 108.3 55.1 -66.2 -37.6 -20.5 -34.3 18.1 31 40 A E H 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 103.4 55.5 -60.0 -39.6 -24.1 -33.7 17.1 32 41 A A T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.478 130.6 -98.1 -74.3 -3.1 -23.2 -34.7 13.6 33 42 A G T < 5S+ 0 0 48 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.558 76.3 141.8 100.1 13.0 -21.9 -38.0 15.1 34 43 A F < - 0 0 4 -5,-2.4 2,-1.2 -6,-0.1 -1,-0.3 -0.711 57.5-123.6 -92.3 133.7 -18.2 -37.2 15.2 35 44 A N - 0 0 70 -2,-0.4 -23,-2.4 127,-0.1 -22,-1.4 -0.630 48.7-173.3 -70.9 97.6 -15.9 -38.3 18.1 36 45 A T E -d 13 0B 0 -2,-1.2 127,-2.5 -24,-0.2 2,-0.3 -0.730 23.3-159.6-108.0 143.2 -14.7 -34.8 18.9 37 46 A A E -df 14 163B 0 -24,-2.6 -22,-2.6 -2,-0.3 2,-0.4 -0.899 7.2-155.3-111.8 149.7 -12.1 -33.4 21.3 38 47 A C E -df 15 164B 0 125,-3.0 127,-2.7 -2,-0.3 2,-0.6 -0.958 5.8-163.5-128.8 114.6 -12.0 -29.8 22.5 39 48 A V E +df 16 165B 2 -24,-3.0 -22,-1.4 -2,-0.4 2,-0.3 -0.861 19.2 161.5-104.3 120.3 -8.7 -28.3 23.6 40 49 A T E - f 0 166B 10 125,-2.1 128,-2.6 -2,-0.6 127,-0.8 -0.999 39.2-150.2-143.4 136.3 -8.8 -25.1 25.7 41 50 A K S S+ 0 0 34 -2,-0.3 2,-0.3 126,-0.3 128,-0.1 0.572 89.7 42.5 -79.9 -10.8 -6.3 -23.3 28.1 42 51 A L S S- 0 0 28 126,-0.1 125,-0.4 125,-0.1 126,-0.2 -0.872 100.8 -89.9-126.3 161.0 -9.2 -22.0 30.1 43 52 A F >> - 0 0 4 -2,-0.3 3,-1.6 123,-0.2 4,-0.6 -0.567 50.7-112.4 -63.9 136.1 -12.5 -23.4 31.4 44 53 A P G >4 S+ 0 0 1 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.781 115.7 53.0 -48.1 -38.2 -15.0 -22.7 28.6 45 54 A T G 34 S+ 0 0 0 1,-0.2 5,-0.2 721,-0.1 105,-0.1 0.826 100.8 61.0 -66.6 -33.0 -17.0 -20.1 30.7 46 55 A R G <4 S+ 0 0 7 -3,-1.6 -1,-0.2 631,-0.1 625,-0.1 0.614 81.3 117.4 -69.9 -12.5 -13.8 -18.1 31.4 47 56 A S S X< S- 0 0 10 -3,-1.0 3,-1.7 -4,-0.6 4,-0.2 -0.107 80.8-108.4 -57.7 153.4 -13.4 -17.6 27.7 48 57 A H G > S+ 0 0 51 1,-0.3 3,-3.1 2,-0.2 4,-0.4 0.817 109.0 76.2 -60.1 -33.5 -13.6 -13.9 26.5 49 58 A T G > S+ 0 0 20 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.785 83.4 71.4 -53.8 -21.4 -16.9 -14.1 24.7 50 59 A V G < S+ 0 0 3 -3,-1.7 97,-0.5 1,-0.3 -1,-0.3 0.825 90.8 59.4 -58.0 -31.4 -18.3 -14.0 28.3 51 60 A A G < S+ 0 0 9 -3,-3.1 -1,-0.3 -4,-0.2 -2,-0.2 0.619 78.1 121.6 -74.0 -14.8 -17.2 -10.3 28.4 52 61 A A < + 0 0 25 -3,-1.5 94,-1.6 -4,-0.4 95,-0.9 -0.239 29.9 166.8 -59.4 136.5 -19.4 -9.5 25.4 53 62 A Q + 0 0 17 92,-0.2 92,-0.6 91,-0.2 -1,-0.1 0.732 54.3 60.0-123.5 -39.1 -22.0 -6.8 26.2 54 63 A G S S- 0 0 17 1,-0.2 2,-0.3 90,-0.1 90,-0.1 0.996 92.2-106.8 -66.4 -76.0 -23.7 -5.3 23.1 55 64 A G - 0 0 3 85,-0.1 2,-0.4 88,-0.1 351,-0.4 -0.985 21.2 -80.0 169.8-170.0 -25.5 -8.1 21.2 56 65 A I E -I 139 0C 0 83,-3.2 83,-1.8 -2,-0.3 2,-0.2 -0.992 42.2-127.9-127.5 122.0 -25.7 -10.5 18.3 57 66 A N E +I 138 0C 0 346,-2.7 2,-0.3 -2,-0.4 81,-0.2 -0.497 38.6 150.2 -76.9 132.9 -27.1 -9.2 14.9 58 67 A A - 0 0 0 79,-2.2 2,-2.1 -2,-0.2 3,-0.4 -0.903 46.8-128.2-158.0 134.2 -29.9 -11.0 13.1 59 68 A A + 0 0 12 33,-0.4 9,-0.2 -2,-0.3 7,-0.1 -0.306 56.6 139.8 -81.2 56.4 -32.5 -9.6 10.7 60 69 A L - 0 0 39 -2,-2.1 -1,-0.2 77,-0.2 6,-0.1 0.741 57.2-136.3 -69.9 -25.0 -35.4 -11.2 12.6 61 70 A G + 0 0 26 -3,-0.4 5,-0.1 4,-0.1 76,-0.1 0.972 54.1 141.4 66.6 58.4 -37.5 -8.1 12.2 62 71 A N S S+ 0 0 19 74,-0.3 52,-0.1 55,-0.1 3,-0.1 0.713 73.9 36.0 -99.6 -28.8 -38.9 -7.8 15.7 63 72 A M S S- 0 0 67 73,-0.5 2,-0.3 1,-0.4 74,-0.1 0.893 136.5 -9.7 -88.8 -52.6 -38.8 -4.0 16.1 64 73 A E S S- 0 0 47 72,-0.3 -1,-0.4 0, 0.0 2,-0.2 -0.864 95.0 -70.4-134.9 170.7 -39.6 -3.0 12.6 65 74 A E - 0 0 174 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.493 62.9-179.6 -66.7 131.0 -39.9 -5.0 9.3 66 75 A D - 0 0 31 -2,-0.2 2,-0.3 -7,-0.1 61,-0.1 -0.848 25.4-150.7-134.5 162.8 -36.5 -6.1 8.2 67 76 A N >> - 0 0 50 -2,-0.3 3,-1.0 1,-0.1 4,-0.8 -0.998 19.9-136.8-136.5 137.6 -34.6 -8.0 5.5 68 77 A W H 3> S+ 0 0 34 -2,-0.3 4,-1.9 1,-0.3 3,-0.2 0.765 104.5 64.2 -66.0 -26.2 -31.3 -9.9 5.9 69 78 A R H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.791 96.5 57.8 -65.6 -29.9 -30.0 -8.5 2.6 70 79 A W H <> S+ 0 0 38 -3,-1.0 4,-1.6 2,-0.2 56,-0.3 0.823 106.1 48.9 -67.6 -32.8 -30.1 -5.1 4.3 71 80 A H H X S+ 0 0 0 -4,-0.8 4,-1.9 -3,-0.2 -2,-0.2 0.874 108.9 54.4 -71.0 -39.3 -27.8 -6.5 7.0 72 81 A F H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.957 108.2 48.0 -54.8 -55.5 -25.6 -7.8 4.1 73 82 A Y H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.876 111.0 51.0 -55.3 -43.7 -25.3 -4.3 2.6 74 83 A D H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.864 110.9 48.4 -64.2 -38.5 -24.4 -2.8 6.0 75 84 A T H X S+ 0 0 3 -4,-1.9 4,-2.1 -3,-0.2 -2,-0.2 0.940 113.7 44.2 -68.9 -50.0 -21.7 -5.3 6.7 76 85 A V H <>S+ 0 0 0 -4,-2.3 5,-1.5 2,-0.2 7,-0.3 0.894 114.2 50.8 -63.7 -40.4 -20.0 -5.0 3.3 77 86 A K H ><5S+ 0 0 32 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 0.910 112.6 46.9 -61.8 -43.0 -20.2 -1.2 3.4 78 87 A G H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.835 102.1 64.3 -65.7 -34.0 -18.7 -1.3 6.8 79 88 A S T ><5S- 0 0 0 -4,-2.1 319,-2.1 319,-0.1 3,-1.6 0.437 106.3-128.2 -71.6 0.2 -16.0 -3.7 5.7 80 89 A D T < 5 - 0 0 7 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.803 62.9 -65.3 53.2 34.5 -14.7 -0.9 3.4 81 90 A W T 3 > - 0 0 2 310,-2.7 4,-1.3 309,-0.3 3,-1.1 -0.679 20.6-156.4 -80.1 109.3 -15.3 -11.2 1.2 85 94 A Q H 3> S+ 0 0 0 509,-2.5 4,-2.4 -2,-0.8 513,-0.3 0.673 87.2 64.3 -67.7 -21.4 -19.0 -11.0 0.0 86 95 A D H 3> S+ 0 0 18 508,-0.4 4,-1.4 511,-0.2 -1,-0.3 0.882 109.1 41.3 -64.6 -38.6 -19.3 -14.7 -0.4 87 96 A A H <> S+ 0 0 1 -3,-1.1 4,-1.7 306,-0.2 -2,-0.2 0.740 113.5 52.9 -80.1 -26.9 -18.8 -15.1 3.3 88 97 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.870 106.5 52.6 -77.5 -39.2 -21.0 -12.1 4.2 89 98 A H H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.965 112.2 47.0 -51.6 -54.9 -23.9 -13.5 2.1 90 99 A Y H X S+ 0 0 41 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.851 113.5 46.9 -59.8 -41.4 -23.6 -16.7 4.1 91 100 A M H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.922 114.1 44.0 -69.6 -47.2 -23.4 -15.1 7.5 92 101 A T H < S+ 0 0 0 -4,-2.3 -33,-0.4 2,-0.2 -2,-0.2 0.814 113.8 50.0 -73.9 -33.2 -26.3 -12.6 7.2 93 102 A E H < S+ 0 0 84 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.909 115.7 43.1 -67.5 -43.3 -28.7 -15.2 5.5 94 103 A Q H X S+ 0 0 36 -4,-1.6 4,-2.4 -5,-0.3 5,-0.2 0.712 91.9 92.5 -74.2 -21.1 -28.0 -17.7 8.3 95 104 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 5,-0.2 0.820 84.8 45.9 -45.1 -50.6 -28.2 -15.0 11.0 96 105 A P H > S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.943 115.3 46.7 -60.6 -46.9 -31.9 -15.4 11.8 97 106 A A H > S+ 0 0 40 -4,-0.4 4,-1.8 -3,-0.2 -2,-0.2 0.832 112.5 51.4 -62.3 -34.9 -31.6 -19.2 12.0 98 107 A S H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.844 113.4 42.6 -72.0 -37.1 -28.5 -19.0 14.1 99 108 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.849 113.0 51.8 -80.5 -37.5 -30.0 -16.6 16.7 100 109 A V H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.2 644,-0.3 0.917 108.2 54.9 -59.0 -43.0 -33.4 -18.5 16.8 101 110 A E H X S+ 0 0 28 -4,-1.8 4,-1.5 643,-0.3 -2,-0.2 0.922 107.4 48.4 -54.6 -49.7 -31.3 -21.6 17.4 102 111 A L H X>S+ 0 0 0 -4,-1.5 5,-2.2 2,-0.2 4,-1.0 0.892 110.9 49.7 -60.3 -44.4 -29.6 -19.9 20.5 103 112 A E H <5S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.878 111.5 49.9 -62.5 -38.7 -32.9 -18.8 21.9 104 113 A N H <5S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.732 103.3 59.9 -71.3 -23.8 -34.1 -22.4 21.4 105 114 A Y H <5S- 0 0 6 -4,-1.5 630,-1.6 -5,-0.2 -1,-0.2 0.754 132.4 -93.2 -69.9 -27.0 -31.0 -23.6 23.2 106 115 A G T <5 + 0 0 0 -4,-1.0 -3,-0.2 -3,-0.4 -2,-0.1 0.415 67.0 160.1 128.5 4.7 -32.2 -21.6 26.2 107 116 A M < - 0 0 0 -5,-2.2 2,-1.9 1,-0.1 -1,-0.2 -0.362 41.8-131.0 -58.3 126.0 -30.5 -18.2 25.8 108 117 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.439 32.6-174.7 -86.6 68.3 -32.5 -15.7 27.9 109 118 A F - 0 0 0 -2,-1.9 32,-0.3 32,-0.1 2,-0.1 -0.257 32.6-103.2 -58.0 143.3 -32.9 -12.9 25.4 110 119 A S - 0 0 9 30,-2.2 8,-3.4 8,-0.2 30,-0.2 -0.390 47.4-135.7 -64.2 150.1 -34.5 -9.7 26.6 111 120 A R B -K 117 0D 6 6,-0.2 6,-0.2 641,-0.1 2,-0.1 -0.589 12.7-143.8-117.9 170.0 -38.1 -9.5 25.4 112 121 A T - 0 0 22 4,-1.1 640,-0.5 638,-0.2 -1,-0.1 -0.295 45.5 -84.4-112.0-164.4 -40.7 -7.1 23.9 113 122 A E S S+ 0 0 176 1,-0.2 639,-0.1 -2,-0.1 -2,-0.0 0.770 130.3 51.0 -72.6 -28.6 -44.5 -6.5 24.2 114 123 A D S S- 0 0 104 -52,-0.1 -1,-0.2 2,-0.1 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3,-0.8 1,-0.2 -2,-0.2 0.862 106.8 53.6 -60.2 -37.8 -23.2 -28.2 37.6 729 123 B K H >< S+ 0 0 32 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.849 100.4 61.4 -64.4 -35.0 -23.3 -30.9 34.9 730 124 B S T 3< S+ 0 0 40 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.554 96.9 56.9 -77.7 -8.8 -25.6 -33.2 36.9 731 125 B I T < S- 0 0 16 -3,-0.8 -1,-0.3 -4,-0.5 3,-0.2 0.425 106.9-125.5 -96.7 -0.9 -28.4 -30.7 37.0 732 126 B E < - 0 0 51 -3,-1.4 2,-2.2 -4,-0.2 -3,-0.1 0.981 21.7-155.0 54.7 72.7 -28.6 -30.4 33.2 733 127 B P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.383 57.1 90.5 -81.3 64.4 -28.2 -26.6 32.8 734 128 B Y S S- 0 0 23 -2,-2.2 -628,-0.2 -3,-0.2 2,-0.1 -0.984 85.3 -83.7-152.8 155.3 -29.9 -26.3 29.4 735 129 B L - 0 0 5 -630,-1.6 2,-0.4 -2,-0.3 67,-0.1 -0.384 43.3-164.6 -63.2 130.2 -33.4 -25.8 28.0 736 130 B K - 0 0 28 -2,-0.1 67,-2.6 -630,-0.1 2,-0.3 -0.983 6.3-173.5-123.6 126.1 -35.5 -29.0 27.7 737 131 B K - 0 0 51 -2,-0.4 3,-0.2 65,-0.2 65,-0.1 -0.891 28.4-136.1-116.0 148.0 -38.7 -29.4 25.7 738 132 B K S S+ 0 0 143 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748 142 B Y - 0 0 35 -648,-0.2 2,-0.4 -2,-0.2 -1,-0.1 -0.477 27.8-117.7 -71.2 143.3 -39.9 -19.4 21.6 749 143 B L + 0 0 121 -2,-0.2 2,-0.3 -633,-0.1 -633,-0.2 -0.710 37.5 167.6 -89.0 129.5 -42.3 -16.9 23.1 750 144 B Q - 0 0 0 -635,-1.7 -638,-0.2 -2,-0.4 -635,-0.1 -0.961 27.4-132.7-142.3 121.4 -41.6 -15.5 26.6 751 145 B S > - 0 0 44 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.231 27.7-107.0 -71.0 161.1 -43.4 -12.5 28.0 752 146 B I H > S+ 0 0 81 -640,-0.5 4,-1.5 1,-0.2 -641,-0.1 0.838 121.7 47.5 -55.9 -36.8 -41.6 -9.5 29.7 753 147 B E H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.912 109.6 51.1 -71.2 -45.5 -42.8 -10.7 33.1 754 148 B E H 4 S+ 0 0 72 1,-0.2 46,-0.3 2,-0.2 4,-0.3 0.801 111.5 50.5 -61.2 -31.0 -41.8 -14.4 32.6 755 149 B R H >X S+ 0 0 12 -4,-1.9 3,-1.7 1,-0.2 4,-0.5 0.866 100.4 62.3 -73.9 -39.4 -38.4 -13.1 31.6 756 150 B E H >< S+ 0 0 126 -4,-1.5 3,-1.0 1,-0.3 -2,-0.2 0.771 89.2 70.5 -57.9 -30.2 -38.0 -10.9 34.7 757 151 B K T 3< S+ 0 0 108 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.775 94.5 56.2 -57.1 -28.6 -38.1 -14.0 36.9 758 152 B L T X> S+ 0 0 0 -3,-1.7 3,-2.3 -4,-0.3 4,-2.0 0.739 81.3 106.7 -78.0 -25.5 -34.7 -14.9 35.5 759 153 B D T << S+ 0 0 79 -3,-1.0 -3,-0.0 -4,-0.5 0, 0.0 -0.306 83.8 24.4 -57.5 134.9 -33.2 -11.6 36.7 760 154 B G T 34 S+ 0 0 28 1,-0.0 76,-0.5 75,-0.0 -1,-0.3 0.252 124.2 56.7 90.9 -10.9 -30.9 -12.1 39.7 761 155 B L T X4 S+ 0 0 15 -3,-2.3 3,-1.0 74,-0.1 -2,-0.2 0.742 97.2 50.7-117.2 -45.8 -30.3 -15.8 38.7 762 156 B Y T 3< S+ 0 0 11 -4,-2.0 -3,-0.1 1,-0.2 -4,-0.0 0.721 93.2 76.4 -71.1 -23.1 -28.9 -15.9 35.1 763 157 B E T 3 + 0 0 19 -5,-0.3 -1,-0.2 70,-0.0 -4,-0.1 0.561 67.3 133.7 -67.4 -8.6 -26.2 -13.4 35.9 764 158 B C < - 0 0 16 -3,-1.0 -3,-0.1 1,-0.1 -89,-0.0 -0.076 41.5-165.4 -50.8 141.3 -24.2 -16.1 37.7 765 159 B I - 0 0 3 -88,-0.0 -1,-0.1 -91,-0.0 -90,-0.1 0.590 31.1-127.6-104.9 -16.6 -20.5 -16.3 36.9 766 160 B L + 0 0 4 1,-0.0 -721,-0.1 22,-0.0 -2,-0.1 0.890 58.2 146.6 60.0 43.4 -19.8 -19.8 38.4 767 161 B C - 0 0 14 -88,-0.0 -87,-0.1 1,-0.0 -79,-0.1 0.717 53.8-136.5 -76.1 -24.3 -16.9 -18.2 40.4 768 162 B A > + 0 0 1 -44,-0.0 4,-2.0 -81,-0.0 5,-0.1 0.480 65.5 127.0 80.3 7.3 -17.6 -20.7 43.2 769 163 B C H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -82,-0.1 0.937 73.8 46.4 -56.7 -50.3 -17.2 -18.1 45.9 770 164 B C H >> S+ 0 0 14 1,-0.2 3,-1.5 2,-0.2 4,-0.9 0.947 113.1 45.9 -60.4 -56.2 -20.6 -18.9 47.5 771 165 B S H >4 S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.865 113.0 52.0 -56.2 -37.5 -20.4 -22.7 47.5 772 166 B T H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.578 107.6 52.8 -79.2 -9.8 -16.9 -22.4 48.9 773 167 B S H << S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.575 87.0 100.7 -94.4 -13.4 -18.2 -20.1 51.7 774 168 B C XX - 0 0 11 -4,-0.9 4,-1.2 -3,-0.7 3,-0.8 -0.644 61.4-155.1 -82.5 116.9 -20.9 -22.6 52.7 775 169 B P H 3> S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.795 97.7 57.1 -59.7 -30.0 -20.0 -24.7 55.8 776 170 B S H 3> S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 8,-0.1 0.828 105.6 50.6 -66.5 -34.1 -22.4 -27.4 54.6 777 171 B Y H <> S+ 0 0 10 -3,-0.8 4,-0.8 -6,-0.2 -1,-0.2 0.697 108.0 54.4 -77.0 -22.0 -20.3 -27.5 51.4 778 172 B W H < S+ 0 0 12 -4,-1.2 3,-0.5 2,-0.2 -2,-0.2 0.975 117.9 32.1 -69.7 -57.9 -17.2 -27.9 53.4 779 173 B W H < S+ 0 0 92 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.763 138.8 21.5 -72.1 -26.9 -18.3 -30.9 55.5 780 174 B N H >X S+ 0 0 2 -4,-1.8 4,-2.5 -5,-0.2 3,-1.1 0.083 73.5 130.7-134.9 26.5 -20.5 -32.4 52.7 781 175 B G T 3< S+ 0 0 9 -4,-0.8 -4,-0.1 -3,-0.5 -1,-0.1 0.635 70.5 65.1 -58.7 -17.9 -19.2 -31.0 49.3 782 176 B D T 34 S+ 0 0 32 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.918 119.8 16.7 -68.8 -44.5 -19.1 -34.6 47.9 783 177 B K T <4 S+ 0 0 93 -3,-1.1 2,-0.5 1,-0.1 -2,-0.2 0.575 111.6 79.7-109.9 -15.2 -22.8 -35.2 48.1 784 178 B Y < - 0 0 1 -4,-2.5 33,-0.2 -8,-0.1 34,-0.1 -0.878 66.3-148.3-104.2 124.7 -24.3 -31.7 48.5 785 179 B L > - 0 0 16 32,-1.0 4,-0.6 -2,-0.5 -1,-0.1 0.743 35.9-148.9 -65.2 -29.4 -24.7 -29.6 45.4 786 180 B G H > - 0 0 0 31,-0.4 4,-2.2 3,-0.1 5,-0.2 0.064 30.0 -59.0 82.0 168.5 -24.1 -26.2 47.1 787 181 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.898 125.9 48.8 -50.3 -59.8 -25.4 -22.7 46.5 788 182 B A H > S+ 0 0 3 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.915 116.4 39.9 -53.7 -55.5 -24.1 -22.0 42.9 789 183 B V H X S+ 0 0 0 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.875 115.9 52.3 -65.0 -39.5 -25.3 -25.2 41.3 790 184 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.900 105.5 53.3 -64.7 -42.7 -28.6 -25.2 43.2 791 185 B M H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.836 108.5 52.2 -60.6 -32.0 -29.4 -21.6 42.1 792 186 B Q H X S+ 0 0 11 -4,-1.2 4,-1.1 -5,-0.2 -1,-0.2 0.798 104.6 53.9 -75.6 -31.3 -28.9 -22.7 38.6 793 187 B A H X S+ 0 0 5 -4,-1.4 4,-1.2 -3,-0.2 3,-0.3 0.886 111.5 46.4 -65.7 -39.0 -31.3 -25.6 39.0 794 188 B Y H X S+ 0 0 34 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.848 103.1 64.7 -68.2 -35.1 -33.8 -23.0 40.1 795 189 B R H < S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.4 36.9 -55.8 -36.2 -32.8 -20.9 37.1 796 190 B W H < S+ 0 0 4 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.691 108.4 66.6 -90.1 -22.4 -34.2 -23.6 34.8 797 191 B M H < S+ 0 0 5 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.921 110.2 32.3 -64.8 -47.4 -37.1 -24.4 37.1 798 192 B I S < S+ 0 0 28 -4,-1.9 2,-0.5 -41,-0.1 -1,-0.2 0.406 86.6 116.5 -97.0 2.2 -38.9 -21.0 36.7 799 193 B D > - 0 0 2 -5,-0.2 3,-1.3 -4,-0.2 -44,-0.1 -0.630 63.0-145.7 -65.7 118.1 -37.8 -20.4 33.1 800 194 B S T 3 S+ 0 0 45 -2,-0.5 -1,-0.2 -46,-0.3 -45,-0.1 0.740 93.2 60.9 -63.1 -26.2 -41.2 -20.5 31.4 801 195 B R T 3 S+ 0 0 5 -695,-0.1 -1,-0.3 -53,-0.1 2,-0.2 0.698 85.5 94.7 -75.5 -21.1 -39.7 -22.1 28.3 802 196 B D < - 0 0 6 -3,-1.3 3,-0.2 -6,-0.2 -65,-0.2 -0.507 51.3-171.3 -77.6 140.8 -38.6 -25.2 30.2 803 197 B D S S+ 0 0 67 -67,-2.6 3,-0.2 -2,-0.2 -66,-0.1 0.288 72.5 74.2-112.7 6.3 -40.9 -28.3 30.2 804 198 B F > + 0 0 46 -68,-0.3 4,-2.4 -8,-0.2 5,-0.2 -0.085 51.6 125.4-114.5 33.9 -39.0 -30.4 32.8 805 199 B T H > S+ 0 0 45 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 76.9 45.5 -57.5 -50.3 -39.9 -28.5 36.0 806 200 B E H > S+ 0 0 78 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 114.0 47.8 -62.4 -45.7 -41.3 -31.6 37.8 807 201 B E H > S+ 0 0 88 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 108.0 55.2 -66.1 -39.2 -38.4 -33.9 36.9 808 202 B R H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.4 48.0 -60.8 -38.8 -35.7 -31.3 37.9 809 203 B L H >< S+ 0 0 2 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.904 107.2 55.4 -66.4 -43.3 -37.3 -31.1 41.4 810 204 B A H >< S+ 0 0 15 -4,-1.9 3,-1.6 1,-0.3 -2,-0.2 0.750 94.1 69.1 -63.3 -25.8 -37.4 -34.9 41.7 811 205 B K T 3< S+ 0 0 97 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.608 98.7 52.5 -66.8 -12.0 -33.6 -35.0 41.0 812 206 B L T < S+ 0 0 4 -3,-1.8 2,-2.0 -4,-0.1 6,-0.5 0.229 73.6 118.5-107.3 10.4 -33.2 -33.4 44.4 813 207 B Q < + 0 0 31 -3,-1.6 184,-0.2 4,-0.1 185,-0.1 -0.432 54.5 84.0 -83.9 66.2 -35.3 -36.0 46.3 814 208 B D S >>S- 0 0 52 -2,-2.0 5,-0.6 183,-0.1 4,-0.5 -0.942 90.3 -99.9-151.8 169.1 -32.6 -37.2 48.7 815 209 B P T 45S+ 0 0 76 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.673 113.1 33.4 -68.4 -15.1 -31.1 -36.1 52.0 816 210 B F T >5S+ 0 0 15 3,-0.1 4,-0.8 -33,-0.1 -31,-0.2 0.874 95.6 70.7-109.4 -49.8 -28.0 -34.5 50.4 817 211 B S T 45S- 0 0 20 -33,-0.2 -32,-1.0 1,-0.2 -31,-0.4 0.824 128.7 -7.9 -43.1 -51.0 -28.5 -32.8 47.0 818 212 B L T ><5S+ 0 0 0 -4,-0.5 3,-1.5 -6,-0.5 -1,-0.2 0.693 124.7 71.3-114.9 -36.9 -30.6 -29.9 48.3 819 213 B Y T 34 + 0 0 10 1,-0.1 4,-1.2 63,-0.0 63,-0.1 0.644 53.7 128.5 69.7 20.1 -26.5 -17.6 54.4 826 220 B N H > + 0 0 12 2,-0.2 4,-0.7 1,-0.2 5,-0.1 0.780 67.4 64.5 -66.5 -29.7 -22.8 -17.2 53.9 827 221 B C H >> S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 3,-0.9 0.947 103.6 41.6 -61.2 -54.4 -23.4 -17.7 50.2 828 222 B T H 34 S+ 0 0 15 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.904 111.9 56.4 -61.3 -43.8 -25.4 -14.5 49.7 829 223 B G H 3< S+ 0 0 55 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.653 115.3 37.3 -63.6 -17.4 -23.1 -12.4 51.9 830 224 B T H << S+ 0 0 13 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.647 79.3 121.3-109.9 -20.4 -20.1 -13.3 49.9 831 225 B C >< - 0 0 22 -4,-1.5 3,-1.7 -3,-0.2 -143,-0.1 -0.284 50.4-153.5 -57.4 114.9 -21.3 -13.3 46.2 832 226 B P T 3 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -144,-0.1 0.649 91.8 56.4 -65.1 -18.5 -19.2 -10.8 44.3 833 227 B K T 3 S- 0 0 33 2,-0.0 -2,-0.1 -158,-0.0 -70,-0.0 0.385 114.0-112.9 -96.7 1.6 -22.0 -10.2 41.8 834 228 B G < + 0 0 71 -3,-1.7 -6,-0.1 1,-0.2 2,-0.1 0.618 66.0 148.2 80.3 15.9 -24.6 -9.2 44.4 835 229 B L - 0 0 18 -8,-0.1 -4,-0.2 -72,-0.0 -1,-0.2 -0.277 45.6-135.6 -83.3 167.4 -26.8 -12.3 43.8 836 230 B N > + 0 0 34 -76,-0.5 4,-1.3 1,-0.1 3,-0.1 -0.695 32.0 160.4-128.1 78.4 -28.9 -14.2 46.4 837 231 B P H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.881 76.2 59.7 -67.2 -38.7 -28.5 -18.0 46.1 838 232 B G H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.891 104.4 50.5 -54.7 -44.7 -29.8 -18.7 49.6 839 233 B K H > S+ 0 0 79 127,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 110.9 49.0 -60.8 -40.0 -33.1 -17.0 48.7 840 234 B A H X S+ 0 0 2 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.880 109.9 51.0 -68.2 -39.3 -33.3 -19.2 45.5 841 235 B I H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.912 109.8 50.6 -61.7 -43.3 -32.6 -22.3 47.6 842 236 B A H X S+ 0 0 7 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.866 110.5 49.8 -59.2 -37.9 -35.4 -21.2 50.0 843 237 B E H X S+ 0 0 40 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.796 108.0 53.0 -74.5 -30.5 -37.6 -20.9 46.9 844 238 B I H >X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 3,-0.8 0.939 105.8 53.8 -65.2 -48.2 -36.6 -24.4 45.7 845 239 B K H 3X S+ 0 0 8 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.851 106.4 52.9 -56.2 -37.8 -37.6 -25.9 49.1 846 240 B K H 3X S+ 0 0 66 -4,-1.3 4,-0.5 1,-0.2 -1,-0.3 0.790 109.4 48.9 -67.9 -30.9 -41.0 -24.2 48.7 847 241 B M H XX S+ 0 0 46 -4,-1.0 4,-2.4 -3,-0.8 3,-0.6 0.882 106.4 55.9 -75.4 -40.4 -41.5 -25.8 45.3 848 242 B M H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.841 110.9 45.1 -58.6 -36.8 -40.4 -29.3 46.5 849 243 B A H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.658 121.6 37.3 -81.3 -17.1 -43.2 -29.2 49.2 850 244 B T H << S+ 0 0 110 -3,-0.6 -2,-0.2 -4,-0.5 2,-0.2 0.620 84.5 106.3-114.5 -18.8 -45.9 -27.8 46.9 851 245 B Y < - 0 0 28 -4,-2.4 2,-0.2 1,-0.1 -4,-0.0 -0.448 57.8-142.1 -71.7 137.4 -45.4 -29.5 43.4 852 246 B K 0 0 187 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.1 -0.499 360.0 360.0 -99.6 166.8 -47.9 -32.2 42.5 853 247 B E 0 0 180 -2,-0.2 -2,-0.0 -47,-0.0 0, 0.0 -0.474 360.0 360.0 65.7 360.0 -47.8 -35.6 40.7 854 !* 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 0.0 855 6 C T 0 0 71 0, 0.0 2,-0.1 0, 0.0 -693,-0.1 0.000 360.0 360.0 360.0 117.9 -17.4 -38.7 30.4 856 7 C T > - 0 0 78 1,-0.1 4,-2.2 -695,-0.0 5,-0.2 -0.427 360.0-111.8 -86.5 160.6 -20.5 -38.3 32.7 857 8 C A H > S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.869 120.7 51.0 -55.4 -41.5 -21.0 -36.0 35.6 858 9 C K H > S+ 0 0 180 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 109.9 49.9 -63.7 -41.2 -21.1 -39.0 38.0 859 10 C E H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.849 107.2 54.3 -66.6 -37.5 -17.8 -40.3 36.4 860 11 C E H X S+ 0 0 48 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.882 109.2 47.7 -64.9 -40.6 -16.1 -36.9 36.8 861 12 C M H X S+ 0 0 41 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.892 110.7 51.5 -65.2 -42.1 -16.9 -36.8 40.6 862 13 C E H X S+ 0 0 117 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.799 114.2 44.2 -66.7 -30.0 -15.6 -40.4 41.0 863 14 C R H X S+ 0 0 150 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.770 107.9 58.9 -84.5 -30.5 -12.4 -39.5 39.3 864 15 C F H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 109.1 43.5 -58.9 -50.3 -12.0 -36.2 41.2 865 16 C W H X S+ 0 0 64 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.764 112.1 52.9 -72.5 -28.3 -12.0 -38.0 44.5 866 17 C N H X S+ 0 0 105 -4,-0.8 4,-0.8 -5,-0.2 -1,-0.2 0.838 110.6 49.6 -70.5 -34.9 -9.6 -40.7 43.3 867 18 C K H < S+ 0 0 86 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.1 0.938 115.8 38.2 -69.3 -49.6 -7.2 -38.0 42.1 868 19 C N H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.2 5,-0.4 0.828 112.3 52.7 -79.2 -36.6 -7.0 -35.9 45.3 869 20 C L H 3< S+ 0 0 123 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.753 110.4 50.4 -72.0 -26.0 -7.1 -38.5 48.0 870 21 C G T 3< S+ 0 0 71 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.3 -0.078 105.9 77.0 -99.8 31.5 -4.2 -40.4 46.4 871 22 C S S < S- 0 0 48 -3,-1.1 -3,-0.0 2,-0.1 -4,-0.0 -0.852 85.3-116.5-134.1 169.2 -2.1 -37.2 46.1 872 23 C N 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H H X S+ 0 0 39 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.888 113.4 41.5 -60.7 -44.2 -35.2 -36.8 67.3 1041 82 D W H X S+ 0 0 67 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.811 113.3 56.0 -73.1 -32.4 -35.3 -35.2 63.8 1042 83 D G H >X S+ 0 0 31 -4,-1.8 4,-1.5 -5,-0.2 3,-0.8 0.972 109.8 41.9 -63.2 -58.2 -33.1 -32.4 64.9 1043 84 D I H 3X S+ 0 0 37 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.841 107.6 66.1 -57.0 -34.7 -30.2 -34.6 66.1 1044 85 D G H 3X S+ 0 0 9 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.882 101.5 47.3 -51.4 -43.1 -30.9 -36.6 62.9 1045 86 D Q H S- 0 0 44 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.131 74.7-114.6 108.9 135.2 -19.4 -43.3 56.5 1054 95 D D H > S+ 0 0 137 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.844 114.9 51.1 -66.4 -36.8 -22.4 -45.6 55.7 1055 96 D A H > S+ 0 0 88 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.938 115.2 39.9 -65.8 -50.2 -21.5 -48.1 58.4 1056 97 D L H > S+ 0 0 117 2,-0.2 4,-2.7 -4,-0.2 5,-0.2 0.857 112.3 55.2 -69.5 -38.9 -21.2 -45.4 61.2 1057 98 D Q H X S+ 0 0 33 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.869 107.3 49.9 -66.2 -38.1 -24.2 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113.9 45.2 -59.6 -39.1 -32.3 -42.7 72.9 1068 109 D S H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 111.1 53.4 -71.2 -39.2 -35.4 -41.1 71.5 1069 110 D A H X S+ 0 0 61 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.915 111.4 45.3 -61.4 -45.4 -37.5 -44.2 72.2 1070 111 D F H X S+ 0 0 117 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.851 111.0 55.1 -65.0 -37.1 -36.3 -44.2 75.9 1071 112 D T H X S+ 0 0 3 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.940 109.2 44.4 -63.5 -49.9 -36.9 -40.4 76.1 1072 113 D F H X S+ 0 0 89 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.872 115.2 49.0 -64.9 -38.4 -40.6 -40.5 75.0 1073 114 D A H X S+ 0 0 44 -4,-1.8 4,-2.9 -5,-0.2 -1,-0.2 0.924 110.3 51.8 -63.5 -46.1 -41.3 -43.5 77.2 1074 115 D G H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.879 111.4 46.3 -58.2 -43.7 -39.6 -41.8 80.2 1075 116 D L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.910 113.4 48.4 -66.6 -44.6 -41.8 -38.6 79.7 1076 117 D C H X S+ 0 0 29 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.895 111.0 51.1 -62.7 -40.8 -45.0 -40.6 79.3 1077 118 D Y H X>S+ 0 0 110 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