==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 22-DEC-09 3ABV . 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) . 42547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 788 72.2 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 . 1 0.1 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 . 84 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 395 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 3 3 1 1 2 0 2 4 2 3 1 1 1 1 0 0 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 0 106 0, 0.0 438,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.6 13.1 -36.6 26.2 2 11 A T + 0 0 163 2,-0.4 0, 0.0 1,-0.1 0, 0.0 0.192 360.0 66.4 76.2 -12.2 13.1 -39.0 29.2 3 12 A Q S S+ 0 0 113 1,-0.2 -1,-0.1 2,-0.0 0, 0.0 0.743 94.3 58.8 -99.9 -34.8 11.9 -35.9 31.0 4 13 A Y S S- 0 0 18 188,-0.1 2,-0.5 2,-0.0 -2,-0.4 -0.876 76.7-132.4-112.6 121.7 8.5 -35.5 29.4 5 14 A P - 0 0 75 0, 0.0 188,-1.7 0, 0.0 2,-0.7 -0.577 21.5-150.8 -68.5 115.4 5.7 -38.1 29.4 6 15 A V E -a 193 0A 91 -2,-0.5 2,-0.6 186,-0.1 188,-0.2 -0.822 14.9-174.5 -91.0 114.4 4.4 -38.3 25.8 7 16 A V E -a 194 0A 60 186,-2.2 188,-1.5 -2,-0.7 2,-0.5 -0.928 9.6-154.1-116.9 111.9 0.6 -39.3 25.8 8 17 A D E -a 195 0A 85 -2,-0.6 2,-0.4 186,-0.2 188,-0.2 -0.718 9.9-170.4 -91.2 125.0 -1.0 -40.0 22.4 9 18 A H E -a 196 0A 45 186,-2.5 188,-2.4 -2,-0.5 2,-0.5 -0.886 10.2-147.4-110.8 144.3 -4.7 -39.5 22.0 10 19 A E E +a 197 0A 115 -2,-0.4 2,-0.3 186,-0.2 188,-0.2 -0.953 28.0 154.1-116.9 128.7 -6.8 -40.5 18.9 11 20 A F - 0 0 18 186,-2.2 188,-0.5 -2,-0.5 25,-0.2 -0.924 49.2-126.7-143.5 165.9 -9.8 -38.6 17.7 12 21 A D S S+ 0 0 20 23,-2.5 188,-1.5 1,-0.3 187,-1.0 0.873 96.1 3.6 -77.5 -41.1 -11.9 -37.9 14.6 13 22 A A E -de 36 200B 0 22,-1.4 24,-2.4 185,-0.2 2,-0.4 -0.995 60.5-151.3-148.8 144.9 -11.6 -34.1 15.0 14 23 A V E -de 37 201B 0 186,-2.2 188,-3.7 -2,-0.3 2,-0.5 -0.986 6.0-165.4-119.7 127.7 -9.9 -31.6 17.3 15 24 A V E -de 38 202B 0 22,-2.7 24,-2.8 -2,-0.4 2,-0.7 -0.953 7.2-157.6-106.4 127.2 -11.2 -28.1 18.1 16 25 A V E +de 39 203B 7 186,-3.5 188,-3.3 -2,-0.5 24,-0.2 -0.906 64.8 48.0-105.5 103.3 -8.7 -25.8 19.7 17 26 A G - 0 0 9 22,-2.0 9,-0.2 -2,-0.7 23,-0.1 -0.061 53.8-154.8 132.3 123.8 -10.7 -23.1 21.5 18 27 A A + 0 0 3 4,-0.2 29,-0.3 -2,-0.1 22,-0.1 -0.056 61.3 110.5-113.6 31.9 -13.7 -23.2 23.9 19 28 A G S > S- 0 0 13 185,-0.5 4,-1.9 27,-0.1 5,-0.2 0.245 93.6 -69.2 -75.9-151.6 -15.0 -19.7 23.2 20 29 A G H > S+ 0 0 0 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.968 138.6 36.9 -68.7 -55.3 -18.3 -19.0 21.3 21 30 A A H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.933 115.4 56.7 -60.7 -49.4 -17.0 -20.3 18.0 22 31 A G H > S+ 0 0 0 182,-0.4 4,-3.3 1,-0.2 -4,-0.2 0.924 110.1 42.8 -48.2 -58.0 -15.0 -23.1 19.7 23 32 A L H X>S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.5 0.932 113.6 49.5 -56.1 -54.6 -18.0 -24.6 21.5 24 33 A R H X5S+ 0 0 10 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.886 117.1 43.3 -56.0 -42.1 -20.4 -24.4 18.6 25 34 A A H X5S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.936 115.2 51.2 -64.1 -48.5 -17.8 -26.0 16.4 26 35 A A H X5S+ 0 0 0 -4,-3.3 4,-1.6 -5,-0.3 3,-0.3 0.958 119.1 31.2 -56.3 -62.0 -16.9 -28.6 19.1 27 36 A F H X5S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.713 113.4 64.1 -76.3 -20.0 -20.4 -29.9 19.9 28 37 A G H XS+ 0 0 0 -4,-1.8 5,-1.6 -3,-0.3 3,-0.3 0.915 111.2 49.2 -66.4 -46.6 -19.0 -31.9 15.3 30 39 A S H ><5S+ 0 0 8 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.817 106.2 58.1 -63.0 -32.9 -20.1 -34.4 18.1 31 40 A E H 3<5S+ 0 0 102 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.848 100.0 56.3 -65.0 -37.6 -23.8 -33.9 17.0 32 41 A A T 3<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.306 131.3 -99.2 -76.9 8.7 -22.8 -35.1 13.5 33 42 A G T < 5S+ 0 0 51 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.788 74.3 148.4 80.7 32.2 -21.6 -38.2 15.3 34 43 A F < - 0 0 5 -5,-1.6 2,-1.5 -6,-0.1 -1,-0.2 -0.832 55.1-122.9-102.5 134.2 -17.9 -37.3 15.4 35 44 A N - 0 0 68 -2,-0.4 -23,-2.5 127,-0.1 -22,-1.4 -0.583 49.2-176.1 -71.7 92.9 -15.4 -38.4 18.1 36 45 A T E -d 13 0B 0 -2,-1.5 127,-2.8 -24,-0.2 2,-0.4 -0.770 24.0-162.3-107.0 136.5 -14.4 -34.8 19.0 37 46 A A E -df 14 163B 0 -24,-2.4 -22,-2.7 -2,-0.4 2,-0.5 -0.896 7.8-157.0-106.3 143.4 -11.8 -33.4 21.4 38 47 A C E -df 15 164B 0 125,-3.1 127,-2.0 -2,-0.4 2,-0.5 -0.949 6.5-162.7-123.9 113.7 -11.9 -29.8 22.5 39 48 A V E +df 16 165B 2 -24,-2.8 -22,-2.0 -2,-0.5 2,-0.3 -0.825 17.9 164.1-101.1 125.5 -8.6 -28.3 23.8 40 49 A T E - f 0 166B 10 125,-2.0 128,-2.1 -2,-0.5 127,-1.2 -0.997 37.8-149.3-146.4 137.0 -8.8 -25.1 25.8 41 50 A K S S+ 0 0 37 -2,-0.3 2,-0.3 126,-0.3 128,-0.1 0.429 89.3 42.9 -86.6 -0.3 -6.3 -23.2 28.1 42 51 A L S S- 0 0 23 126,-0.1 125,-0.6 178,-0.0 126,-0.2 -0.905 102.4 -88.8-129.8 162.8 -9.2 -21.9 30.2 43 52 A F >> - 0 0 4 -2,-0.3 3,-2.0 123,-0.2 4,-0.5 -0.607 52.0-111.6 -64.7 134.9 -12.4 -23.4 31.6 44 53 A P G >4 S+ 0 0 1 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.790 116.0 53.9 -44.5 -43.2 -14.9 -22.8 28.7 45 54 A T G 34 S+ 0 0 0 1,-0.2 5,-0.2 106,-0.1 106,-0.1 0.821 101.4 60.3 -59.4 -32.9 -17.0 -20.2 30.7 46 55 A R G <4 S+ 0 0 6 -3,-2.0 -1,-0.2 631,-0.1 632,-0.1 0.587 78.5 115.5 -75.6 -10.2 -13.8 -18.1 31.4 47 56 A S S X< S- 0 0 10 -3,-1.2 3,-1.9 -4,-0.5 4,-0.2 -0.164 82.2-106.0 -58.1 147.6 -13.2 -17.6 27.6 48 57 A H G > S+ 0 0 46 1,-0.3 3,-4.1 2,-0.2 4,-0.5 0.841 106.6 83.9 -44.4 -37.5 -13.5 -13.9 26.6 49 58 A T G > S+ 0 0 18 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.675 79.7 71.5 -60.5 -6.2 -16.8 -14.1 24.8 50 59 A V G < S+ 0 0 3 -3,-1.9 97,-1.2 1,-0.2 -1,-0.3 0.859 87.1 63.4 -66.0 -35.0 -18.2 -13.7 28.4 51 60 A A G < S+ 0 0 10 -3,-4.1 -1,-0.2 -4,-0.2 -2,-0.2 0.586 78.2 122.7 -65.2 -10.6 -17.1 -10.1 28.3 52 61 A A < + 0 0 20 -3,-0.9 94,-1.6 -4,-0.5 95,-0.9 -0.246 27.8 159.3 -62.1 144.1 -19.5 -9.6 25.3 53 62 A Q + 0 0 20 92,-0.2 92,-0.9 91,-0.2 -1,-0.1 0.688 50.4 59.4-136.9 -51.1 -22.0 -6.8 25.9 54 63 A G S S- 0 0 16 1,-0.2 2,-0.3 90,-0.1 91,-0.1 0.992 94.4-100.8 -62.2 -76.0 -23.8 -5.2 22.9 55 64 A G - 0 0 3 85,-0.1 2,-0.4 88,-0.1 351,-0.4 -0.983 22.9 -83.0 175.8-167.6 -25.5 -8.0 21.1 56 65 A I E -I 139 0C 0 83,-3.3 83,-1.7 -2,-0.3 2,-0.2 -0.987 43.5-125.8-130.0 119.3 -25.6 -10.5 18.2 57 66 A N E +I 138 0C 0 346,-2.4 2,-0.3 -2,-0.4 81,-0.2 -0.456 39.7 151.2 -75.1 129.9 -26.9 -9.3 14.8 58 67 A A - 0 0 0 79,-1.8 2,-2.1 -2,-0.2 3,-0.3 -0.942 47.5-128.2-152.3 135.8 -29.8 -11.1 13.0 59 68 A A + 0 0 12 33,-0.4 9,-0.2 -2,-0.3 7,-0.2 -0.307 55.3 143.8 -80.2 55.4 -32.3 -9.7 10.6 60 69 A L - 0 0 34 -2,-2.1 -1,-0.2 77,-0.1 6,-0.1 0.690 55.1-137.5 -67.6 -18.8 -35.1 -11.2 12.6 61 70 A G + 0 0 27 -3,-0.3 5,-0.1 4,-0.1 -2,-0.1 0.950 52.8 145.5 57.7 52.4 -37.2 -8.1 11.9 62 71 A N S S+ 0 0 17 74,-0.3 52,-0.1 3,-0.1 54,-0.1 0.825 70.3 31.6 -88.4 -36.1 -38.5 -8.0 15.4 63 72 A M S S- 0 0 69 73,-0.6 2,-0.2 1,-0.1 74,-0.1 0.836 136.9 -11.1 -90.6 -40.1 -38.8 -4.2 16.0 64 73 A E S S- 0 0 49 72,-0.3 2,-0.4 0, 0.0 -1,-0.1 -0.713 97.4 -61.2-138.4-171.3 -39.6 -3.2 12.4 65 74 A E + 0 0 173 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.1 -0.711 61.9 177.9 -80.5 133.5 -39.6 -5.0 9.0 66 75 A D - 0 0 30 -2,-0.4 2,-0.4 -7,-0.2 61,-0.1 -0.867 23.8-153.2-134.4 163.3 -36.1 -6.2 8.0 67 76 A N >> - 0 0 50 -2,-0.3 3,-1.7 1,-0.1 4,-1.1 -0.990 19.7-138.4-139.6 131.1 -34.3 -8.0 5.3 68 77 A W H 3> S+ 0 0 31 -2,-0.4 4,-2.2 1,-0.3 -1,-0.1 0.813 104.5 65.4 -59.0 -29.9 -31.1 -10.0 5.8 69 78 A R H 3> S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.761 97.1 55.0 -64.7 -25.7 -29.9 -8.6 2.5 70 79 A W H <> S+ 0 0 40 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.882 106.7 49.8 -72.1 -39.3 -29.9 -5.2 4.1 71 80 A H H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.867 108.2 55.9 -63.2 -37.6 -27.7 -6.6 6.8 72 81 A F H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 3,-0.3 0.980 107.5 46.6 -54.8 -59.1 -25.5 -7.9 4.0 73 82 A Y H X S+ 0 0 45 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.873 110.6 54.2 -52.5 -43.4 -25.1 -4.5 2.5 74 83 A D H X S+ 0 0 3 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.908 108.9 45.7 -60.8 -46.3 -24.2 -2.9 5.9 75 84 A T H X S+ 0 0 3 -4,-2.0 4,-2.7 -3,-0.3 -1,-0.2 0.879 113.8 48.4 -66.7 -41.7 -21.4 -5.3 6.7 76 85 A V H <>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 7,-0.3 0.902 113.9 46.6 -68.9 -40.7 -19.8 -5.1 3.3 77 86 A K H ><5S+ 0 0 32 -4,-2.5 3,-2.5 -5,-0.2 -2,-0.2 0.987 114.1 49.4 -58.1 -55.9 -20.0 -1.3 3.4 78 87 A G H 3<5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.857 102.3 61.8 -46.4 -43.6 -18.6 -1.5 6.9 79 88 A S T ><5S- 0 0 0 -4,-2.7 319,-2.9 319,-0.1 3,-1.2 0.529 106.8-128.8 -64.5 -7.5 -15.8 -3.8 5.7 80 89 A D T < 5 - 0 0 7 -3,-2.5 -3,-0.2 -4,-0.3 -2,-0.1 0.830 62.5 -65.1 55.9 37.6 -14.6 -0.9 3.5 81 90 A W T 3 > - 0 0 1 310,-2.0 4,-1.4 -2,-0.4 3,-0.8 -0.558 20.1-153.2 -71.6 113.5 -15.1 -11.1 1.0 85 94 A Q H 3> S+ 0 0 0 509,-2.9 4,-2.6 -2,-0.6 513,-0.3 0.735 87.0 65.3 -68.3 -26.7 -18.7 -10.9 -0.0 86 95 A D H 3> S+ 0 0 21 510,-0.3 4,-1.9 508,-0.3 -1,-0.3 0.905 107.9 42.4 -59.3 -43.1 -19.2 -14.7 -0.5 87 96 A A H <> S+ 0 0 1 -3,-0.8 4,-2.4 306,-0.2 -2,-0.2 0.867 113.0 52.8 -69.5 -39.4 -18.6 -15.1 3.3 88 97 A I H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.838 107.9 51.1 -69.5 -35.9 -20.8 -12.1 4.2 89 98 A H H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.991 112.5 47.1 -55.8 -60.6 -23.7 -13.4 2.1 90 99 A Y H X S+ 0 0 46 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.829 115.0 46.0 -52.8 -41.8 -23.4 -16.8 3.9 91 100 A M H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.943 114.4 44.0 -70.7 -49.6 -23.2 -15.1 7.4 92 101 A T H < S+ 0 0 0 -4,-2.3 -33,-0.4 2,-0.2 -2,-0.2 0.792 113.6 51.0 -71.9 -29.9 -26.1 -12.6 7.0 93 102 A E H < S+ 0 0 89 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.913 115.2 43.1 -66.0 -44.6 -28.4 -15.2 5.4 94 103 A Q H X S+ 0 0 34 -4,-1.6 4,-2.9 -5,-0.3 5,-0.3 0.686 91.6 95.0 -74.7 -18.3 -27.7 -17.6 8.2 95 104 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.859 86.8 38.9 -42.0 -60.2 -28.0 -14.8 10.8 96 105 A P H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.917 117.0 50.4 -63.7 -44.2 -31.6 -15.3 11.8 97 106 A A H > S+ 0 0 43 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.870 113.1 47.1 -57.6 -40.4 -31.5 -19.1 11.7 98 107 A S H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.861 112.7 47.1 -71.5 -39.9 -28.4 -19.1 13.9 99 108 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.894 111.8 50.8 -70.1 -42.0 -29.7 -16.6 16.5 100 109 A V H X S+ 0 0 8 -4,-2.7 4,-3.0 1,-0.2 644,-0.3 0.924 105.2 58.0 -57.4 -44.8 -33.0 -18.5 16.7 101 110 A E H X S+ 0 0 25 -4,-1.9 4,-0.8 643,-0.3 -1,-0.2 0.886 108.1 47.1 -52.0 -41.9 -30.9 -21.7 17.2 102 111 A L H X>S+ 0 0 0 -4,-1.3 5,-1.8 2,-0.2 4,-0.7 0.882 111.0 48.6 -68.7 -43.7 -29.4 -20.0 20.3 103 112 A E H ><5S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.892 110.0 53.8 -63.5 -39.9 -32.7 -18.8 21.8 104 113 A N H 3<5S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.737 101.3 59.6 -66.4 -24.4 -34.0 -22.3 21.3 105 114 A Y H 3<5S- 0 0 11 -4,-0.8 630,-1.8 -3,-0.3 -1,-0.3 0.702 131.0 -93.5 -71.7 -23.7 -31.1 -23.6 23.2 106 115 A G T <<5 + 0 0 0 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.2 0.509 65.3 161.7 119.6 10.5 -32.2 -21.5 26.2 107 116 A M < - 0 0 0 -5,-1.8 2,-1.9 1,-0.1 -1,-0.2 -0.466 43.2-128.4 -61.1 126.4 -30.3 -18.2 25.8 108 117 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.288 34.6-176.4 -83.5 56.2 -32.3 -15.7 27.9 109 118 A F - 0 0 0 -2,-1.9 32,-0.3 32,-0.1 2,-0.1 -0.133 33.2-105.9 -49.4 139.8 -32.7 -12.9 25.4 110 119 A S - 0 0 9 30,-1.9 8,-2.6 8,-0.2 30,-0.2 -0.392 44.5-131.5 -65.2 150.6 -34.5 -9.8 26.7 111 120 A R B -K 117 0D 5 6,-0.2 6,-0.2 641,-0.1 2,-0.1 -0.590 13.5-146.4-113.0 168.6 -38.0 -9.5 25.4 112 121 A T - 0 0 22 4,-1.3 640,-0.5 -2,-0.2 -1,-0.1 -0.292 45.7 -81.2-111.3-163.7 -40.4 -7.0 23.8 113 122 A E S S+ 0 0 176 1,-0.2 639,-0.2 -2,-0.1 -2,-0.0 0.894 130.5 49.9 -69.2 -41.2 -44.1 -6.3 23.9 114 123 A D S S- 0 0 112 -52,-0.1 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1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.974 116.3 33.7 -53.8 -64.2 -23.9 -22.0 43.1 789 183 B V H X S+ 0 0 0 -4,-0.6 4,-1.4 1,-0.2 3,-0.5 0.863 115.7 58.0 -61.9 -40.3 -25.2 -25.1 41.3 790 184 B L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.886 101.0 55.3 -61.7 -39.9 -28.5 -25.1 43.2 791 185 B M H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.822 106.4 52.0 -63.7 -30.9 -29.4 -21.6 42.0 792 186 B Q H X S+ 0 0 13 -4,-1.0 4,-1.6 -3,-0.5 -1,-0.2 0.809 104.4 55.1 -76.3 -30.1 -28.9 -22.7 38.4 793 187 B A H X S+ 0 0 6 -4,-1.4 4,-1.0 -3,-0.2 -2,-0.2 0.903 112.0 45.1 -64.0 -39.7 -31.2 -25.7 38.9 794 188 B Y H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 3,-0.4 0.905 105.0 62.1 -67.6 -43.3 -33.8 -23.1 40.1 795 189 B R H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.847 111.0 38.9 -48.8 -41.2 -32.9 -20.9 37.1 796 190 B W H < S+ 0 0 5 -4,-1.6 3,-0.4 2,-0.2 -1,-0.3 0.667 106.6 65.8 -87.2 -19.9 -34.1 -23.6 34.8 797 191 B M H < S+ 0 0 5 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.948 111.3 34.3 -64.7 -45.5 -37.0 -24.6 37.0 798 192 B I S < S+ 0 0 28 -4,-2.0 2,-0.8 -41,-0.1 -1,-0.2 0.159 81.9 118.4-102.1 17.8 -38.7 -21.2 36.4 799 193 B D > - 0 0 2 -3,-0.4 3,-2.7 -5,-0.2 6,-0.1 -0.784 61.5-145.9 -77.7 114.2 -37.6 -20.6 32.8 800 194 B S T 3 S+ 0 0 48 -2,-0.8 -1,-0.2 -46,-0.4 -45,-0.1 0.673 95.5 62.4 -59.5 -17.3 -41.1 -20.5 31.2 801 195 B R T 3 S+ 0 0 4 -53,-0.1 -1,-0.3 -695,-0.1 2,-0.2 0.584 85.5 97.4 -81.7 -13.0 -39.6 -22.1 28.1 802 196 B D < - 0 0 10 -3,-2.7 -65,-0.2 -6,-0.1 3,-0.2 -0.540 48.8-173.1 -84.6 144.3 -38.7 -25.3 30.0 803 197 B D S S+ 0 0 64 -67,-2.8 3,-0.3 -2,-0.2 -66,-0.2 0.458 73.2 71.7-111.7 -5.3 -40.8 -28.4 30.0 804 198 B F > + 0 0 43 -68,-0.5 4,-1.5 1,-0.2 5,-0.2 0.015 54.7 124.9-104.7 29.6 -39.0 -30.5 32.6 805 199 B T H > S+ 0 0 43 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.866 74.4 46.4 -60.7 -44.4 -39.8 -28.6 35.8 806 200 B E H >> S+ 0 0 71 -3,-0.3 4,-1.8 1,-0.2 3,-0.8 0.949 114.7 46.2 -62.4 -50.3 -41.3 -31.6 37.8 807 201 B E H 3> S+ 0 0 58 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.683 106.2 60.2 -71.8 -18.5 -38.5 -34.0 37.0 808 202 B R H 3< S+ 0 0 18 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.783 108.7 44.7 -72.8 -29.7 -35.9 -31.3 37.8 809 203 B L H X< S+ 0 0 2 -4,-1.0 3,-1.4 -3,-0.8 -2,-0.2 0.811 107.0 57.9 -82.7 -33.6 -37.3 -31.2 41.3 810 204 B A H >< S+ 0 0 49 -4,-1.8 3,-1.6 1,-0.3 -2,-0.2 0.780 93.8 68.4 -65.8 -27.2 -37.5 -35.0 41.6 811 205 B K T 3< S+ 0 0 120 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.525 99.4 51.3 -69.9 -6.0 -33.7 -35.1 40.9 812 206 B L T < S+ 0 0 5 -3,-1.4 2,-2.4 1,-0.1 6,-0.6 0.323 73.7 118.5-110.1 4.4 -33.3 -33.4 44.3 813 207 B Q < + 0 0 33 -3,-1.6 185,-0.2 4,-0.1 184,-0.2 -0.361 54.2 83.9 -79.9 63.6 -35.4 -35.9 46.3 814 208 B D S >>S- 0 0 54 -2,-2.4 5,-0.7 183,-0.1 4,-0.6 -0.945 89.3-104.2-153.0 165.2 -32.7 -37.2 48.6 815 209 B P T 45S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -31,-0.0 0.571 110.1 38.6 -76.3 -5.7 -31.3 -35.9 51.9 816 210 B F T >5S+ 0 0 20 -33,-0.1 4,-0.6 3,-0.1 -31,-0.2 0.856 96.4 66.3-109.4 -49.6 -28.0 -34.5 50.5 817 211 B S T 45S- 0 0 21 -33,-0.2 -32,-1.4 1,-0.2 -31,-0.4 0.867 131.2 -9.2 -49.3 -52.7 -28.4 -32.8 47.0 818 212 B L T ><5S+ 0 0 0 -4,-0.6 3,-1.4 -6,-0.6 2,-0.4 0.722 125.4 71.3-110.6 -40.7 -30.6 -29.9 48.2 819 213 B Y T 34 + 0 0 8 1,-0.1 4,-1.5 3,-0.0 13,-0.1 0.503 57.6 121.0 56.5 6.9 -27.0 -17.5 54.4 826 220 B N H > + 0 0 15 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.725 67.3 61.7 -68.7 -23.5 -23.2 -17.1 54.4 827 221 B C H >> S+ 0 0 7 2,-0.2 4,-1.0 1,-0.1 3,-0.5 0.926 103.9 45.3 -64.6 -50.0 -23.3 -17.9 50.6 828 222 B T H >4 S+ 0 0 6 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.886 107.4 58.1 -65.6 -42.1 -25.4 -14.9 49.6 829 223 B G H 3< S+ 0 0 46 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 110.5 44.8 -56.2 -28.8 -23.4 -12.4 51.7 830 224 B T H << S+ 0 0 13 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.666 77.0 122.4 -94.5 -19.5 -20.3 -13.4 49.8 831 225 B C X< - 0 0 22 -4,-1.0 3,-1.0 -3,-0.5 -143,-0.1 -0.218 50.0-153.7 -54.8 123.8 -21.5 -13.4 46.2 832 226 B P T 3 S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 -143,-0.1 0.715 91.5 55.1 -72.8 -19.8 -19.4 -10.9 44.2 833 227 B K T 3 S- 0 0 32 2,-0.0 -2,-0.1 -158,-0.0 -70,-0.0 0.435 113.7-111.9 -94.6 -0.7 -22.1 -10.3 41.6 834 228 B G < + 0 0 70 -3,-1.0 -3,-0.1 1,-0.2 -6,-0.0 0.439 68.2 145.7 87.2 2.5 -24.7 -9.3 44.2 835 229 B L - 0 0 17 1,-0.1 -1,-0.2 -74,-0.0 -4,-0.2 -0.168 47.2-134.5 -74.5 165.6 -26.9 -12.4 43.6 836 230 B N > + 0 0 33 -76,-0.6 4,-1.6 1,-0.1 5,-0.1 -0.668 32.4 161.5-125.8 75.9 -28.9 -14.2 46.2 837 231 B P H > S+ 0 0 5 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.856 77.6 60.7 -63.7 -33.9 -28.4 -18.0 46.0 838 232 B G H >> S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.955 104.8 46.6 -54.8 -56.2 -29.7 -18.4 49.5 839 233 B K H 3> S+ 0 0 83 127,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.880 111.3 52.0 -53.3 -44.1 -33.1 -16.9 48.6 840 234 B A H 3X S+ 0 0 4 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.801 106.8 54.0 -68.9 -29.6 -33.4 -19.1 45.5 841 235 B I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-0.7 0.958 106.1 56.1 -58.9 -51.6 -36.6 -24.4 45.6 845 239 B K H 3X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.836 104.8 52.7 -52.7 -39.9 -37.6 -25.9 48.9 846 240 B K H 3X S+ 0 0 72 -4,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.862 109.8 47.4 -65.5 -38.9 -41.1 -24.4 48.6 847 241 B M H - 0 0 70 1,-0.1 4,-2.1 -695,-0.0 5,-0.1 -0.456 360.0-110.6 -97.4 166.3 -20.4 -38.2 32.6 857 8 C A H > S+ 0 0 13 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.852 121.2 49.8 -61.6 -36.4 -21.0 -35.9 35.6 858 9 C K H > S+ 0 0 172 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 110.5 49.3 -69.9 -40.1 -21.0 -39.0 37.8 859 10 C E H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.831 107.3 56.5 -66.8 -34.7 -17.7 -40.3 36.3 860 11 C E H X S+ 0 0 54 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.891 109.2 44.3 -65.3 -42.4 -16.1 -36.9 36.8 861 12 C M H X S+ 0 0 45 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.915 109.7 55.2 -68.4 -45.3 -16.7 -36.8 40.6 862 13 C E H X S+ 0 0 123 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.834 114.3 42.2 -57.9 -32.9 -15.6 -40.4 41.0 863 14 C R H X S+ 0 0 150 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.847 106.7 60.5 -83.2 -38.4 -12.3 -39.4 39.4 864 15 C F H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.933 110.6 42.3 -48.3 -51.3 -12.0 -36.0 41.2 865 16 C W H X S+ 0 0 64 -4,-2.3 4,-1.6 1,-0.2 5,-0.3 0.828 111.9 53.9 -71.5 -34.0 -12.0 -38.0 44.5 866 17 C N H X S+ 0 0 110 -4,-1.1 4,-0.7 -5,-0.3 -1,-0.2 0.871 112.6 45.9 -61.7 -38.5 -9.6 -40.7 43.1 867 18 C K H < S+ 0 0 95 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.948 117.1 38.7 -72.3 -51.4 -7.2 -37.9 42.1 868 19 C N H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 5,-0.4 0.860 110.9 54.2 -74.9 -40.3 -7.1 -35.8 45.2 869 20 C L H 3< S+ 0 0 121 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.803 112.1 46.0 -66.2 -31.4 -7.2 -38.4 48.0 870 21 C G T 3< S+ 0 0 77 -4,-0.7 -1,-0.3 -5,-0.3 2,-0.2 0.274 104.6 84.3 -93.3 9.4 -4.2 -40.2 46.6 871 22 C S S < S- 0 0 43 -3,-1.3 -3,-0.0 2,-0.1 -4,-0.0 -0.703 84.5-120.5-109.7 162.1 -2.3 -36.9 46.1 872 23 C N + 0 0 128 -2,-0.2 -3,-0.1 -245,-0.1 -4,-0.1 0.141 66.7 135.9 -86.2 20.6 -0.1 -34.8 48.4 873 24 C R - 0 0 37 -5,-0.4 2,-0.3 1,-0.1 -159,-0.1 -0.454 47.8-136.0 -71.1 138.2 -2.5 -31.8 47.9 874 25 C P - 0 0 25 0, 0.0 -161,-2.5 0, 0.0 2,-0.5 -0.700 16.7-111.6 -95.9 149.2 -3.5 -29.8 51.1 875 26 C L B -D 712 0N 74 -2,-0.3 -163,-0.2 -163,-0.2 3,-0.1 -0.673 35.7-117.0 -77.5 123.8 -7.0 -28.6 52.0 876 27 C S - 0 0 0 -165,-2.9 -166,-2.3 -2,-0.5 -165,-0.1 -0.394 42.5 -96.2 -57.6 132.0 -7.2 -24.8 51.8 877 28 C P + 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -167,-0.1 -0.166 51.9 164.2 -55.2 146.8 -7.9 -23.4 55.4 878 29 C H >> + 0 0 31 -169,-0.2 4,-2.5 -3,-0.1 3,-0.8 0.569 68.9 27.2-129.6 -81.3 -11.6 -22.7 56.1 879 30 C I T 34 S+ 0 0 96 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.745 118.9 63.1 -62.8 -22.7 -12.8 -22.2 59.7 880 31 C T T 34 S+ 0 0 111 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.835 120.4 15.5 -69.7 -35.3 -9.3 -21.0 60.5 881 32 C I T <4 S+ 0 0 35 -3,-0.8 -2,-0.2 -196,-0.1 -1,-0.1 0.628 90.4 114.8-120.5 -17.8 -9.4 -18.0 58.2 882 33 C Y S < S- 0 0 25 -4,-2.5 -196,-0.2 1,-0.1 2,-0.2 -0.294 73.6 -93.9 -69.4 144.1 -13.0 -17.1 57.1 883 34 C R - 0 0 176 -198,-1.0 2,-0.2 1,-0.1 -1,-0.1 -0.335 35.6-126.7 -60.9 120.2 -14.6 -13.9 58.2 884 35 C W + 0 0 189 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.469 35.0 176.0 -64.1 131.4 -16.8 -14.0 61.4 885 36 C S > - 0 0 35 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.926 42.3-116.6-133.0 159.9 -20.3 -12.6 60.9 886 37 C L H > S+ 0 0 55 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.926 116.5 54.9 -61.1 -46.1 -23.3 -12.4 63.2 887 38 C P H > S+ 0 0 29 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.932 109.8 49.3 -50.7 -47.6 -25.4 -14.7 60.8 888 39 C M H >> S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.957 111.0 46.2 -52.8 -60.9 -22.5 -17.2 61.3 889 40 C A H 3X S+ 0 0 35 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.873 113.2 52.1 -52.7 -39.0 -22.4 -17.0 65.0 890 41 C M H 3X S+ 0 0 5 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.781 107.2 50.4 -73.8 -28.8 -26.2 -17.3 65.1 891 42 C S H X S+ 0 0 37 -4,-2.9 4,-2.7 1,-0.2 3,-1.3 0.932 110.6 48.5 -67.0 -47.8 -34.0 -41.0 81.3 911 62 C S H 3X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.778 104.9 61.8 -63.6 -26.3 -33.6 -40.2 85.0 912 63 C A H 3< S+ 0 0 21 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.721 114.6 34.4 -69.5 -22.0 -37.4 -40.5 85.3 913 64 C L H << S+ 0 0 71 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.776 127.5 35.1 -96.4 -36.6 -36.9 -44.2 84.2 914 65 C L H < S+ 0 0 129 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.824 103.0 71.8 -94.5 -35.2 -33.6 -45.0 85.8 915 66 C L S < S- 0 0 98 -4,-1.8 2,-0.1 -5,-0.3 0, 0.0 -0.580 74.8-124.9 -90.3 146.9 -33.5 -43.1 89.1 916 67 C P + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.296 65.3 46.6 -82.3 170.3 -35.6 -44.0 92.2 917 68 C G S S- 0 0 51 -2,-0.1 -2,-0.0 4,-0.0 2,-0.0 0.342 83.3 -80.9 78.9 150.8 -38.0 -41.7 94.2 918 69 C N > - 0 0 73 1,-0.1 4,-1.1 164,-0.0 3,-0.3 -0.206 46.7 -95.1 -79.1 174.4 -40.7 -39.3 92.9 919 70 C F H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.847 124.1 55.3 -61.1 -38.1 -40.2 -35.8 91.6 920 71 C E H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.888 103.6 55.7 -60.2 -41.2 -40.8 -34.1 95.0 921 72 C S H 4 S+ 0 0 67 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.787 108.9 48.5 -61.2 -30.2 -38.1 -36.3 96.5 922 73 C H H X S+ 0 0 70 -4,-1.1 4,-0.7 -3,-0.3 -2,-0.2 0.849 112.4 46.6 -78.8 -37.6 -35.7 -34.9 93.9 923 74 C L H >X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 3,-1.2 0.916 106.2 57.9 -69.0 -44.7 -36.8 -31.2 94.5 924 75 C E H 3X S+ 0 0 119 -4,-3.0 4,-0.5 1,-0.3 -1,-0.2 0.730 102.8 57.7 -56.3 -22.5 -36.5 -31.6 98.3 925 76 C L H 3> S+ 0 0 124 -4,-0.4 4,-0.8 -5,-0.2 -1,-0.3 0.785 102.5 51.6 -78.5 -30.8 -32.9 -32.6 97.5 926 77 C V H << S+ 0 0 66 -3,-1.2 5,-0.3 -4,-0.7 3,-0.3 0.895 105.8 55.3 -70.1 -41.4 -32.2 -29.3 95.8 927 78 C K H >< S+ 0 0 102 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.732 95.0 72.4 -60.2 -25.2 -33.6 -27.4 98.9 928 79 C S H 3< S+ 0 0 89 -4,-0.5 2,-1.6 1,-0.3 -1,-0.2 0.960 100.6 39.9 -58.2 -60.1 -31.0 -29.4 101.0 929 80 C L T 3< S- 0 0 151 -4,-0.8 2,-0.7 -3,-0.3 -1,-0.3 -0.619 98.6-156.0 -84.8 72.6 -28.0 -27.4 99.7 930 81 C C < - 0 0 107 -2,-1.6 -3,-0.1 -3,-0.6 2,-0.1 -0.370 6.8-155.7 -62.2 100.9 -30.1 -24.3 99.8 931 82 C L - 0 0 80 -2,-0.7 5,-0.1 -5,-0.3 -1,-0.1 -0.377 28.7 -87.5 -75.2 155.0 -28.6 -21.9 97.3 932 83 C G >> - 0 0 33 1,-0.1 4,-2.1 -2,-0.1 3,-0.7 -0.321 39.5-108.6 -62.7 145.9 -29.0 -18.1 97.7 933 84 C P H 3> S+ 0 0 113 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.762 122.2 48.0 -47.4 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116.3 42.8 -86.4 -52.0 -32.2 -22.9 81.6 944 95 C V H X S+ 0 0 8 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.811 103.2 69.2 -68.0 -31.9 -34.5 -20.3 80.0 945 96 C F H X S+ 0 0 85 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.950 103.7 38.2 -54.9 -60.3 -31.7 -18.5 78.1 946 97 C P H > S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 117.4 53.5 -61.2 -37.0 -30.9 -21.3 75.6 947 98 C L H X S+ 0 0 61 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.944 112.1 43.3 -58.0 -52.0 -34.6 -22.2 75.3 948 99 C M H X S+ 0 0 20 -4,-3.2 4,-2.8 2,-0.2 5,-0.3 0.891 113.1 51.3 -65.7 -42.5 -35.6 -18.6 74.5 949 100 C Y H X S+ 0 0 13 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.968 114.1 43.6 -56.5 -55.6 -32.7 -18.0 72.0 950 101 C H H X S+ 0 0 33 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.847 114.1 52.5 -59.7 -36.8 -33.5 -21.2 70.1 951 102 C T H X S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.965 114.8 38.9 -65.5 -53.3 -37.3 -20.4 70.2 952 103 C W H X S+ 0 0 74 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.945 119.3 45.9 -63.9 -49.8 -36.9 -16.8 68.8 953 104 C N H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 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31 -4,-2.4 4,-1.4 -5,-0.3 3,-1.4 0.973 110.5 41.2 -57.6 -62.3 -33.1 -32.3 64.8 1043 84 D I H 3X S+ 0 0 41 -4,-2.5 4,-2.8 1,-0.3 -1,-0.2 0.861 107.8 65.5 -54.6 -37.6 -30.2 -34.4 66.1 1044 85 D G H 3X S+ 0 0 10 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.3 0.807 101.6 49.0 -53.0 -33.6 -30.8 -36.6 63.0 1045 86 D Q H - 0 0 43 -2,-0.6 4,-0.7 1,-0.1 5,-0.1 -0.797 69.3-113.4 161.3 157.3 -19.0 -43.2 57.3 1054 95 D D H > S+ 0 0 160 -2,-0.2 4,-1.0 2,-0.1 3,-0.2 0.976 113.1 12.7 -67.9 -86.8 -20.4 -46.5 56.1 1055 96 D A H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.481 124.5 66.6 -75.9 -4.0 -21.4 -48.5 59.2 1056 97 D L H > S+ 0 0 108 2,-0.2 4,-2.8 3,-0.1 5,-0.3 0.940 95.2 51.4 -78.4 -54.4 -21.1 -45.4 61.4 1057 98 D Q H X S+ 0 0 42 -4,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.885 114.0 47.9 -47.0 -44.9 -24.0 -43.4 59.8 1058 99 D K H X S+ 0 0 165 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.897 112.8 47.5 -61.4 -45.9 -26.1 -46.5 60.4 1059 100 D A H X S+ 0 0 52 -4,-1.1 4,-3.0 2,-0.2 5,-0.2 0.923 110.8 48.5 -67.7 -49.4 -24.9 -46.9 64.1 1060 101 D A H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.908 111.3 52.0 -56.7 -45.7 -25.4 -43.3 65.1 1061 102 D K H X S+ 0 0 84 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.824 112.0 46.6 -60.8 -35.2 -28.9 -43.3 63.6 1062 103 D A H X S+ 0 0 55 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.945 112.6 47.9 -70.8 -51.8 -29.7 -46.5 65.6 1063 104 D G H X S+ 0 0 47 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.786 112.3 51.1 -60.4 -31.0 -28.3 -45.2 68.9 1064 105 D L H X S+ 0 0 16 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.901 108.0 51.8 -69.2 -43.7 -30.2 -42.0 68.3 1065 106 D L H X S+ 0 0 103 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.905 110.9 48.2 -58.6 -44.1 -33.4 -44.0 67.7 1066 107 D A H X S+ 0 0 50 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.961 112.5 47.6 -58.6 -54.1 -32.9 -45.8 71.0 1067 108 D L H X S+ 0 0 68 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.878 113.8 48.5 -56.1 -43.0 -32.2 -42.6 72.9 1068 109 D S H X S+ 0 0 15 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.915 113.5 45.6 -63.3 -47.5 -35.3 -41.0 71.4 1069 110 D A H X S+ 0 0 59 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.938 112.7 50.7 -62.7 -47.7 -37.5 -44.0 72.2 1070 111 D F H X S+ 0 0 118 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.842 111.4 50.4 -57.6 -35.9 -36.1 -44.2 75.7 1071 112 D T H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.950 107.7 50.0 -68.7 -51.3 -36.9 -40.5 76.1 1072 113 D F H X S+ 0 0 88 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.873 115.9 44.0 -57.7 -39.1 -40.5 -40.6 74.9 1073 114 D A H X S+ 0 0 50 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.968 110.4 53.8 -67.8 -53.5 -41.2 -43.5 77.3 1074 115 D G H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.831 113.3 45.0 -48.2 -40.1 -39.4 -41.9 80.2 1075 116 D L H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.920 112.1 49.7 -69.1 -48.5 -41.5 -38.8 79.7 1076 117 D C H X S+ 0 0 29 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.857 109.4 53.3 -61.3 -35.3 -44.8 -40.7 79.3 1077 118 D Y H X S+ 0 0 116 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.873 107.9 51.4 -62.3 -38.9 -43.9 -42.6 82.5 1078 119 D F H X S+ 0 0 11 -4,-1.1 6,-0.9 -5,-0.3 4,-0.8 0.841 110.2 48.4 -68.7 -34.5 -43.5 -39.2 84.2 1079 120 D N H < S+ 0 0 13 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.807 119.3 38.8 -74.1 -33.3 -46.9 -38.1 83.0 1080 121 D Y H < S+ 0 0 171 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.952 128.0 28.1 -79.7 -54.6 -48.6 -41.3 84.1 1081 122 D H H < S+ 0 0 116 -4,-2.9 2,-0.2 -5,-0.2 -3,-0.2 0.251 124.1 31.2-101.4 9.4 -46.8 -42.0 87.4 1082 123 D D S < S- 0 0 41 -4,-0.8 3,-0.1 -5,-0.2 -164,-0.0 -0.797 102.7 -71.2-147.6-168.9 -45.8 -38.5 88.5 1083 124 D V S > S- 0 0 32 -2,-0.2 4,-0.7 1,-0.1 -4,-0.1 0.664 74.5-129.2 -69.3 -18.4 -47.0 -34.9 88.3 1084 125 D G H > - 0 0 0 -6,-0.9 4,-2.2 3,-0.2 5,-0.2 0.003 30.6 -63.3 90.4 164.8 -46.1 -34.6 84.6 1085 126 D I H > S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.873 129.7 47.1 -51.9 -45.4 -44.1 -32.1 82.5 1086 127 D C H >> S+ 0 0 18 2,-0.2 4,-2.2 -62,-0.2 3,-0.5 0.981 115.7 38.6 -64.6 -63.8 -46.4 -29.2 83.2 1087 128 D K H 3X S+ 0 0 125 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.791 113.3 59.2 -61.3 -29.5 -46.9 -29.4 87.0 1088 129 D A H 3X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.866 108.0 44.1 -67.8 -39.7 -43.2 -30.4 87.4 1089 130 D V H