==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-10 3NQW . COMPND 2 MOLECULE: CG11900; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR D.W.SUN,H.Y.KIM,K.J.KIM,Y.H.JEON,J.CHUNG . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 0 0 0 4 2 2 0 1 2 3 0 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A A 0 0 152 0, 0.0 2,-0.3 0, 0.0 229,-0.0 0.000 360.0 360.0 360.0 -3.5 32.7 18.3 0.8 2 3 A T + 0 0 38 179,-0.1 229,-0.5 2,-0.0 182,-0.2 -0.763 360.0 167.2-116.1 163.2 29.0 17.2 0.7 3 4 A Y - 0 0 75 179,-0.3 179,-1.0 -2,-0.3 2,-0.2 -0.946 39.7 -95.8-168.6 148.2 25.7 19.0 1.4 4 5 A P - 0 0 1 0, 0.0 178,-0.0 0, 0.0 180,-0.0 -0.484 44.6-116.7 -74.0 140.5 22.0 18.3 0.9 5 6 A S > - 0 0 20 -2,-0.2 4,-1.1 1,-0.1 219,-0.1 -0.096 25.1-105.2 -67.7 170.7 20.5 20.0 -2.2 6 7 A A H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 218,-0.2 0.724 123.1 55.9 -70.7 -21.9 17.7 22.6 -2.1 7 8 A K H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 102.1 52.1 -76.5 -43.4 15.4 19.9 -3.3 8 9 A F H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.800 112.7 48.2 -62.5 -27.2 16.2 17.5 -0.4 9 10 A M H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.877 110.3 48.7 -81.7 -37.0 15.4 20.4 1.9 10 11 A E H X S+ 0 0 55 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.774 115.0 48.0 -70.1 -26.9 12.1 21.2 0.2 11 12 A C H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.872 110.7 48.8 -78.6 -41.2 11.3 17.6 0.4 12 13 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.922 115.1 46.8 -61.3 -44.7 12.3 17.4 4.1 13 14 A Q H X S+ 0 0 62 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.903 112.6 49.3 -63.0 -44.4 10.1 20.5 4.6 14 15 A Y H X S+ 0 0 32 -4,-1.8 4,-2.5 2,-0.2 3,-0.4 0.935 110.3 48.7 -64.5 -47.2 7.3 19.0 2.6 15 16 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.969 112.8 50.2 -54.7 -52.0 7.4 15.7 4.5 16 17 A A H < S+ 0 0 2 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.735 113.5 46.4 -56.2 -30.1 7.4 17.7 7.7 17 18 A F H < S+ 0 0 101 -4,-1.5 3,-0.3 -3,-0.4 4,-0.2 0.933 111.2 46.2 -80.3 -53.5 4.4 19.8 6.6 18 19 A K H < S+ 0 0 35 -4,-2.5 3,-0.4 1,-0.2 50,-0.2 0.851 119.6 42.7 -59.9 -37.3 2.0 17.1 5.2 19 20 A H S >< S+ 0 0 0 -4,-2.1 3,-3.0 -5,-0.3 13,-0.3 0.668 80.4 112.9 -83.6 -16.8 2.6 15.0 8.3 20 21 A R T 3 S+ 0 0 39 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.628 84.6 37.8 -26.4 -38.0 2.4 18.0 10.7 21 22 A Q T 3 S+ 0 0 129 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.2 0.666 97.6 97.1 -93.3 -20.7 -0.8 16.6 12.3 22 23 A Q < - 0 0 52 -3,-3.0 10,-2.5 -4,-0.2 11,-0.4 -0.461 53.6-170.0 -75.4 140.3 0.1 12.9 12.2 23 24 A R B -A 31 0A 56 8,-0.3 7,-0.1 -2,-0.2 2,-0.1 -0.931 22.3-108.9-131.2 153.6 1.4 11.3 15.3 24 25 A R - 0 0 30 6,-3.5 2,-1.4 -2,-0.3 5,-0.1 -0.394 35.5-106.8 -78.6 157.0 3.0 7.9 16.2 25 26 A K S S+ 0 0 149 4,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.649 76.6 106.6 -87.6 86.3 1.3 5.2 18.2 26 27 A D S S- 0 0 7 -2,-1.4 3,-0.3 109,-0.2 110,-0.1 -0.907 83.8 -95.1-148.2 172.9 3.1 5.4 21.5 27 28 A P S S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.944 125.0 46.9 -61.9 -41.6 2.3 6.6 25.0 28 29 A Q S S- 0 0 102 -3,-0.1 -3,-0.1 1,-0.1 -4,-0.0 0.707 99.1-137.9 -71.1 -20.6 4.0 10.0 24.4 29 30 A E - 0 0 122 -3,-0.3 3,-0.1 1,-0.1 -4,-0.1 0.903 30.1-166.9 59.6 45.7 2.3 10.4 21.0 30 31 A T - 0 0 5 1,-0.1 -6,-3.5 -7,-0.1 -1,-0.1 -0.248 29.9 -83.4 -61.8 146.4 5.5 11.7 19.4 31 32 A P B > -A 23 0A 1 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.171 27.8-133.6 -54.4 141.9 5.2 13.4 15.9 32 33 A Y T >> S+ 0 0 37 -10,-2.5 3,-1.7 -13,-0.3 4,-1.4 0.763 100.4 74.6 -70.0 -23.6 5.1 11.2 12.8 33 34 A V H 3> S+ 0 0 0 -11,-0.4 4,-2.0 1,-0.3 -1,-0.3 0.830 87.7 63.4 -56.5 -30.6 7.7 13.3 11.1 34 35 A N H <> S+ 0 0 3 -3,-1.1 4,-2.0 2,-0.2 -1,-0.3 0.777 101.1 51.9 -65.3 -27.7 10.2 11.7 13.5 35 36 A H H <> S+ 0 0 2 -3,-1.7 4,-2.4 -4,-0.3 5,-0.2 0.981 108.1 46.1 -73.7 -59.0 9.4 8.3 11.8 36 37 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.895 113.8 53.2 -51.4 -39.5 9.9 9.3 8.2 37 38 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.2 5,-0.3 0.950 105.8 52.0 -59.3 -52.4 13.2 11.0 9.3 38 39 A N H X S+ 0 0 27 -4,-2.0 4,-3.6 1,-0.2 5,-0.2 0.935 107.9 52.4 -51.3 -48.3 14.4 7.9 11.1 39 40 A V H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.908 112.9 44.0 -55.9 -43.3 13.8 5.9 7.9 40 41 A S H >X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 3,-0.8 0.978 117.2 45.3 -67.1 -50.4 15.9 8.4 5.8 41 42 A T H 3X>S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.5 0.852 103.9 63.5 -59.6 -36.7 18.6 8.6 8.5 42 43 A I H 3<5S+ 0 0 0 -4,-3.6 4,-0.3 -5,-0.3 -1,-0.2 0.869 108.7 43.0 -54.5 -37.7 18.7 4.8 8.9 43 44 A L H <<5S+ 0 0 0 -4,-1.2 6,-2.3 -3,-0.8 -1,-0.2 0.856 116.6 46.8 -78.0 -36.5 19.8 4.6 5.3 44 45 A S H <5S+ 0 0 5 -4,-1.8 141,-0.2 4,-0.3 -2,-0.2 0.986 124.4 26.4 -69.9 -59.7 22.2 7.4 5.5 45 46 A V T ><5S+ 0 0 48 -4,-2.8 3,-0.7 140,-0.2 2,-0.2 0.999 132.0 33.2 -66.3 -69.1 24.1 6.5 8.8 46 47 A E T 3 > - 0 0 73 1,-0.1 4,-1.9 131,-0.0 3,-0.9 -0.904 53.0-163.7-116.0 105.5 22.0 8.9 -3.2 52 53 A E H 3> S+ 0 0 22 129,-0.6 4,-3.5 -2,-0.6 5,-0.5 0.815 87.6 69.0 -52.9 -37.3 19.5 11.7 -2.5 53 54 A G H 3> S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 108.4 37.3 -48.5 -48.4 16.9 10.1 -4.8 54 55 A V H <> S+ 0 0 4 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.910 115.5 54.8 -70.0 -44.9 16.5 7.3 -2.2 55 56 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.937 112.9 40.6 -55.8 -52.9 16.9 9.7 0.8 56 57 A M H X S+ 0 0 9 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.941 111.6 56.7 -64.0 -44.9 14.1 12.0 -0.3 57 58 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.2 0.897 108.2 49.5 -52.0 -40.7 11.9 9.0 -1.3 58 59 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.882 105.6 54.4 -66.6 -40.6 12.3 7.7 2.3 59 60 A L H 3< S+ 0 0 0 -4,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.832 118.8 38.0 -61.5 -27.1 11.4 11.1 3.8 60 61 A L T 3X S+ 0 0 0 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.3 0.202 80.6 111.4-108.1 10.9 8.2 10.7 1.6 61 62 A H T <4 S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.534 90.1 31.2 -65.2 -7.8 7.6 7.0 2.0 62 63 A D T >>S+ 0 0 9 -3,-0.2 4,-3.3 -4,-0.2 5,-0.6 0.527 99.2 80.4-125.8 -11.5 4.5 7.6 4.0 63 64 A V H >5S+ 0 0 0 -3,-0.2 4,-1.2 1,-0.2 6,-0.7 0.975 91.9 49.0 -61.3 -58.2 3.0 10.9 2.7 64 65 A V H <5S+ 0 0 23 -4,-0.8 -1,-0.2 1,-0.2 7,-0.1 0.774 123.0 37.3 -54.9 -23.5 1.3 9.6 -0.4 65 66 A E H 45S+ 0 0 26 -3,-0.2 -2,-0.2 5,-0.1 -1,-0.2 0.797 130.5 22.7 -98.7 -35.8 -0.3 7.0 1.8 66 67 A D H <5S+ 0 0 62 -4,-3.3 -3,-0.2 -44,-0.0 -2,-0.1 0.843 117.0 52.5-100.5 -43.1 -1.0 8.7 5.1 67 68 A T S < - 0 0 41 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 -0.837 32.6-105.4-133.7 171.9 -0.3 12.5 -4.2 71 72 A F H > S+ 0 0 76 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.805 119.6 57.7 -67.7 -30.2 2.1 11.1 -6.8 72 73 A E H > S+ 0 0 140 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.862 105.2 50.7 -68.4 -35.5 1.5 14.1 -9.0 73 74 A D H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.910 115.4 41.4 -67.5 -43.9 2.6 16.4 -6.2 74 75 A V H X>S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.8 0.869 118.2 47.0 -70.1 -38.8 5.8 14.5 -5.7 75 76 A E H X5S+ 0 0 85 -4,-2.7 4,-1.3 3,-0.2 -2,-0.2 0.930 114.5 47.4 -65.7 -47.3 6.2 14.2 -9.4 76 77 A K H <5S+ 0 0 141 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 123.9 32.6 -62.1 -38.1 5.5 17.9 -9.9 77 78 A L H <5S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.798 137.6 12.5 -91.3 -35.4 7.9 18.8 -7.0 78 79 A F H <5S- 0 0 14 -4,-3.3 4,-0.4 -5,-0.2 -3,-0.2 0.519 99.3-118.5-125.2 -9.8 10.6 16.2 -7.2 79 80 A G X< - 0 0 13 -4,-1.3 4,-3.2 -5,-0.8 3,-0.3 -0.090 36.8 -65.0 97.4 166.7 10.4 14.2 -10.4 80 81 A P H > S+ 0 0 77 0, 0.0 4,-4.1 0, 0.0 5,-0.3 0.890 125.3 67.1 -59.6 -40.5 9.8 10.7 -11.7 81 82 A D H > S+ 0 0 90 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.920 115.3 26.1 -44.0 -54.1 13.1 9.7 -10.1 82 83 A V H > S+ 0 0 2 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.851 121.1 56.0 -81.3 -37.3 11.6 10.3 -6.6 83 84 A C H X S+ 0 0 12 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.843 102.0 58.9 -64.8 -33.6 8.0 9.7 -7.6 84 85 A G H X S+ 0 0 17 -4,-4.1 4,-1.2 -5,-0.2 -1,-0.2 0.916 110.8 38.4 -62.6 -45.6 8.9 6.2 -8.9 85 86 A L H X S+ 0 0 4 -4,-0.9 4,-1.0 -5,-0.3 -2,-0.2 0.915 110.9 57.9 -73.3 -43.0 10.3 4.9 -5.6 86 87 A V H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.795 109.2 47.9 -57.5 -26.5 7.6 6.6 -3.4 87 88 A R H >< S+ 0 0 161 -4,-1.2 3,-1.1 1,-0.2 -1,-0.3 0.834 103.7 60.8 -82.0 -32.1 5.1 4.7 -5.5 88 89 A E H 3< S+ 0 0 75 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.667 111.8 39.3 -67.5 -14.4 7.0 1.5 -5.0 89 90 A V T 3< S+ 0 0 9 -4,-1.0 2,-0.6 -3,-0.2 -1,-0.2 0.265 91.9 98.7-120.5 12.3 6.6 1.7 -1.3 90 91 A T < - 0 0 24 -3,-1.1 2,-0.2 -5,-0.1 -28,-0.1 -0.889 65.3-140.2-104.0 113.1 3.0 3.0 -1.0 91 92 A D - 0 0 32 -2,-0.6 2,-0.7 1,-0.1 9,-0.1 -0.502 30.4-104.2 -73.4 136.5 0.4 0.4 -0.3 92 93 A D > - 0 0 90 -2,-0.2 3,-1.5 1,-0.2 -1,-0.1 -0.435 30.3-159.9 -60.7 105.8 -2.9 0.9 -2.1 93 94 A K T 3 S+ 0 0 124 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.293 80.6 79.9 -75.0 12.7 -5.2 2.2 0.6 94 95 A S T 3 S+ 0 0 90 2,-0.1 -1,-0.3 6,-0.0 -2,-0.1 0.756 87.7 71.2 -83.4 -28.7 -8.3 1.2 -1.4 95 96 A L S < S- 0 0 54 -3,-1.5 2,-0.3 1,-0.1 -4,-0.0 -0.205 99.0 -93.3 -78.4 171.7 -7.7 -2.3 -0.0 96 97 A E >> - 0 0 149 1,-0.1 4,-2.4 -2,-0.0 3,-1.4 -0.672 35.3-107.8 -91.3 148.5 -8.2 -3.3 3.6 97 98 A K H 3> S+ 0 0 123 1,-0.3 4,-0.8 -2,-0.3 5,-0.1 0.742 119.9 52.0 -42.4 -34.5 -5.4 -3.2 6.2 98 99 A Q H 3> S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.872 112.3 44.4 -74.2 -36.6 -5.2 -7.0 6.2 99 100 A E H <> S+ 0 0 56 -3,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.868 107.4 58.6 -73.7 -39.2 -4.9 -7.2 2.4 100 101 A R H X S+ 0 0 24 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.792 109.8 46.1 -60.5 -28.3 -2.4 -4.4 2.2 101 102 A K H X S+ 0 0 49 -4,-0.8 4,-1.1 -5,-0.3 3,-0.4 0.923 107.8 54.6 -79.3 -47.8 -0.2 -6.5 4.5 102 103 A R H >X S+ 0 0 137 -4,-1.8 4,-1.2 1,-0.2 3,-0.6 0.890 108.9 49.7 -52.1 -43.4 -0.6 -9.7 2.6 103 104 A L H 3X S+ 0 0 53 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.832 98.2 67.5 -67.0 -33.4 0.5 -8.0 -0.6 104 105 A Q H 3< S+ 0 0 26 -4,-0.9 -1,-0.2 -3,-0.4 4,-0.2 0.845 103.5 46.0 -55.6 -35.2 3.6 -6.6 1.1 105 106 A I H << S+ 0 0 36 -4,-1.1 4,-0.5 -3,-0.6 -1,-0.2 0.885 116.6 45.0 -74.8 -38.7 4.9 -10.1 1.4 106 107 A E H < S+ 0 0 121 -4,-1.2 4,-0.2 1,-0.2 -2,-0.2 0.947 119.2 37.4 -70.3 -53.1 4.0 -10.9 -2.2 107 108 A N S < S+ 0 0 82 -4,-3.4 4,-0.5 1,-0.1 -1,-0.2 0.391 95.8 97.9 -81.9 3.4 5.3 -7.8 -4.0 108 109 A A S > S+ 0 0 0 -5,-0.3 3,-3.1 1,-0.2 -1,-0.1 0.973 86.6 32.2 -51.6 -85.5 8.2 -7.7 -1.7 109 110 A A T 3 S+ 0 0 57 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.578 110.8 70.3 -52.1 -12.9 11.1 -9.4 -3.6 110 111 A K T 3 S+ 0 0 161 -4,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.626 81.9 99.3 -82.2 -13.1 9.5 -8.0 -6.8 111 112 A S S < S- 0 0 20 -3,-3.1 2,-0.2 -4,-0.5 -3,-0.0 -0.067 82.5 -93.6 -68.2 169.8 10.6 -4.4 -5.7 112 113 A S > - 0 0 39 1,-0.1 4,-2.8 -27,-0.1 5,-0.3 -0.555 33.6-108.3 -87.2 153.2 13.6 -2.5 -7.0 113 114 A C H > S+ 0 0 92 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.877 122.8 45.3 -42.9 -47.2 17.0 -2.6 -5.2 114 115 A R H > S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.886 113.4 47.9 -66.5 -43.1 16.4 1.1 -4.2 115 116 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.770 107.0 57.4 -71.2 -26.8 12.8 0.5 -3.1 116 117 A K H X S+ 0 0 46 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.908 100.7 58.7 -69.6 -38.5 13.8 -2.5 -1.1 117 118 A L H X S+ 0 0 19 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.910 109.0 43.1 -54.2 -48.5 16.2 -0.3 0.8 118 119 A I H X S+ 0 0 0 -4,-1.2 4,-3.4 1,-0.2 5,-0.3 0.947 112.7 52.6 -63.2 -50.0 13.4 1.9 2.0 119 120 A K H X S+ 0 0 18 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.872 111.7 46.8 -54.7 -40.4 11.1 -1.0 2.7 120 121 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.965 115.2 43.6 -65.3 -56.2 13.8 -2.6 4.9 121 122 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.899 110.0 57.8 -56.1 -43.5 14.7 0.6 6.8 122 123 A D H X S+ 0 0 19 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.902 112.0 42.5 -52.7 -45.1 10.9 1.4 7.2 123 124 A K H X S+ 0 0 7 -4,-1.6 4,-3.1 -5,-0.3 5,-0.3 0.973 111.0 54.1 -67.9 -54.7 10.6 -2.0 8.9 124 125 A L H X S+ 0 0 1 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.918 110.9 46.6 -45.3 -55.5 13.7 -1.7 11.0 125 126 A D H X S+ 0 0 4 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.956 113.9 46.4 -53.6 -57.8 12.6 1.7 12.4 126 127 A N H >X S+ 0 0 34 -4,-1.9 4,-1.1 -5,-0.3 3,-0.7 0.934 113.1 50.0 -51.8 -50.7 9.0 0.5 13.2 127 128 A L H >X S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 4,-1.1 0.939 104.4 57.3 -53.8 -51.9 10.3 -2.7 14.8 128 129 A R H 3X S+ 0 0 76 -4,-2.8 4,-1.0 -5,-0.3 3,-0.4 0.844 108.5 49.4 -47.1 -36.2 12.8 -0.8 16.9 129 130 A D H - 0 0 14 0, 0.0 3,-0.6 0, 0.0 -109,-0.2 0.039 51.9 -83.5 -42.1 146.2 0.9 1.0 20.5 136 137 A T T 3 S- 0 0 88 1,-0.2 -111,-0.0 -110,-0.1 -3,-0.0 -0.316 111.5 -0.4 -56.5 129.6 -1.9 2.8 22.2 137 138 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 -3,-0.2 -1,-0.2 0.961 97.0 143.3 50.4 67.7 -4.7 0.4 23.0 138 139 A W < - 0 0 109 -3,-0.6 -1,-0.2 -4,-0.1 2,-0.1 -0.999 47.4-126.9-140.5 133.3 -3.1 -2.8 21.6 139 140 A T > - 0 0 74 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.408 23.9-121.2 -74.9 153.5 -3.1 -6.4 22.8 140 141 A Q H > S+ 0 0 101 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.808 112.2 57.2 -66.0 -29.2 0.2 -8.2 23.4 141 142 A E H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.941 108.4 44.8 -66.3 -45.8 -0.8 -10.9 20.9 142 143 A R H > S+ 0 0 127 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.832 108.7 58.2 -65.1 -33.4 -1.3 -8.3 18.1 143 144 A R H X S+ 0 0 31 -4,-1.7 4,-0.6 1,-0.2 -1,-0.3 0.780 110.0 45.0 -65.9 -28.1 1.9 -6.7 19.2 144 145 A D H >X S+ 0 0 70 -4,-1.1 4,-1.4 -3,-0.5 3,-0.9 0.902 104.0 61.3 -82.0 -42.7 3.5 -10.1 18.5 145 146 A Q H 3X S+ 0 0 98 -4,-2.4 4,-2.4 1,-0.3 5,-0.2 0.794 97.1 61.0 -53.2 -32.9 1.8 -10.7 15.2 146 147 A Y H 3X S+ 0 0 35 -4,-1.4 4,-3.2 1,-0.2 -1,-0.3 0.906 102.2 51.2 -62.2 -43.2 3.4 -7.6 13.8 147 148 A F H X S+ 0 0 1 -4,-2.6 3,-2.0 2,-0.2 4,-1.0 0.975 117.2 47.1 -69.2 -55.9 8.0 -9.4 4.5 154 155 A V H 3X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.3 3,-0.2 0.790 104.0 64.2 -56.4 -31.0 11.6 -8.7 5.4 155 156 A D H 3< S+ 0 0 61 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.750 107.4 41.8 -65.9 -22.7 12.4 -12.4 4.5 156 157 A N H <4 S+ 0 0 66 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.571 110.5 56.6 -98.1 -13.2 11.4 -11.6 0.9 157 158 A L H >< S+ 0 0 0 -4,-1.0 3,-0.6 -3,-0.2 -2,-0.2 0.585 84.7 113.6 -91.4 -11.7 13.2 -8.2 0.9 158 159 A R T 3< + 0 0 67 -4,-1.0 4,-0.1 1,-0.2 -3,-0.1 0.157 48.6 60.4 -51.4 173.1 16.6 -9.8 1.9 159 160 A G T 3 S+ 0 0 74 2,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.261 92.0 86.9 85.0 -12.9 19.5 -9.9 -0.5 160 161 A T S < S+ 0 0 31 -3,-0.6 2,-0.7 1,-0.2 -2,-0.1 0.931 93.9 10.2 -82.0 -88.8 19.4 -6.1 -0.4 161 162 A N > - 0 0 25 1,-0.1 4,-2.6 -45,-0.1 5,-0.3 -0.857 55.4-164.1-104.6 111.8 21.4 -4.5 2.5 162 163 A A H > S+ 0 0 73 -2,-0.7 4,-0.5 1,-0.2 -1,-0.1 0.733 93.0 48.4 -62.1 -22.0 23.6 -7.0 4.4 163 164 A N H > S+ 0 0 61 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.932 113.2 41.2 -85.4 -49.8 23.8 -4.4 7.1 164 165 A L H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.950 118.4 48.5 -61.1 -49.0 20.2 -3.4 7.6 165 166 A E H X S+ 0 0 19 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.801 107.1 56.8 -60.8 -31.0 19.1 -7.1 7.3 166 167 A L H X S+ 0 0 97 -4,-0.5 4,-1.1 -5,-0.3 -1,-0.2 0.931 111.8 41.5 -66.3 -44.7 21.8 -8.0 9.8 167 168 A K H X S+ 0 0 59 -4,-2.0 4,-1.5 2,-0.2 3,-0.5 0.906 109.5 58.6 -68.4 -42.1 20.2 -5.6 12.3 168 169 A L H >X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.3 3,-1.0 0.948 106.1 50.2 -49.8 -50.0 16.8 -6.7 11.3 169 170 A D H 3X S+ 0 0 21 -4,-2.4 4,-3.0 1,-0.3 5,-0.3 0.798 101.2 62.8 -58.0 -33.0 17.9 -10.2 12.3 170 171 A E H 3X S+ 0 0 88 -4,-1.1 4,-1.2 -3,-0.5 -1,-0.3 0.865 106.7 44.0 -60.8 -36.5 19.1 -8.8 15.6 171 172 A I H S+ 0 0 0 -4,-1.5 5,-2.9 -5,-0.2 4,-2.3 0.850 112.9 43.1 -81.3 -37.3 14.2 -11.1 15.2 173 174 A R H <5S+ 0 0 122 -4,-3.0 -2,-0.2 4,-0.2 -3,-0.2 0.808 109.9 56.9 -79.3 -28.5 16.6 -13.4 17.1 174 175 A Q H <5S+ 0 0 141 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.856 113.3 42.3 -66.2 -37.3 16.3 -11.4 20.3 175 176 A R H <5S- 0 0 88 -4,-0.8 -2,-0.2 -5,-0.1 -1,-0.2 0.947 121.5-106.3 -74.5 -51.8 12.6 -12.0 20.2 176 177 A G T <5S+ 0 0 57 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.625 89.1 106.3 127.8 32.9 12.7 -15.6 19.2 177 178 A L < 0 0 69 -5,-2.9 -4,-0.2 -8,-0.1 -5,-0.1 0.473 360.0 360.0-111.8 -11.2 11.8 -15.8 15.5 178 179 A L 0 0 93 -6,-0.9 -9,-0.0 -9,-0.1 0, 0.0 -0.848 360.0 360.0-116.8 360.0 15.2 -16.5 14.1 179 !* 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 0.0 180 2 B A 0 0 149 0, 0.0 2,-0.2 0, 0.0 -129,-0.0 0.000 360.0 360.0 360.0 77.8 25.4 15.1 -8.0 181 3 B T + 0 0 45 -179,-0.1 -129,-0.6 0, 0.0 -179,-0.1 -0.656 360.0 165.0-112.0 167.9 24.7 16.2 -4.4 182 4 B Y - 0 0 74 -179,-1.0 -179,-0.3 -2,-0.2 -131,-0.0 -0.806 36.9-103.9 179.5 137.1 23.6 14.5 -1.1 183 5 B P - 0 0 1 0, 0.0 -180,-0.1 0, 0.0 2,-0.1 -0.272 42.1-118.2 -66.4 155.0 23.5 15.1 2.6 184 6 B S > - 0 0 24 -182,-0.2 4,-1.3 1,-0.1 5,-0.2 -0.338 22.2-106.3 -87.7 173.2 26.1 13.3 4.7 185 7 B A H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -140,-0.2 0.807 122.0 56.8 -68.3 -29.7 25.6 10.7 7.5 186 8 B K H > S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 104.7 50.8 -68.9 -38.8 26.5 13.4 10.0 187 9 B F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.801 112.1 46.2 -69.1 -30.0 23.7 15.7 8.7 188 10 B M H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.852 110.3 52.8 -80.1 -35.8 21.1 13.0 9.0 189 11 B E H X S+ 0 0 49 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.758 113.9 45.7 -69.0 -23.5 22.3 12.1 12.5 190 12 B C H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 5,-0.2 0.868 112.7 47.3 -83.2 -43.2 21.9 15.8 13.2 191 13 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 114.9 48.7 -61.9 -42.9 18.5 16.1 11.6 192 14 B Q H X S+ 0 0 54 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.873 110.6 51.8 -64.3 -38.4 17.5 12.9 13.5 193 15 B Y H X S+ 0 0 28 -4,-0.9 4,-3.4 2,-0.2 5,-0.3 0.968 109.6 45.7 -65.0 -54.9 18.9 14.4 16.7 194 16 B A H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.901 113.9 52.1 -55.6 -39.7 17.0 17.7 16.5 195 17 B A H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.915 115.7 40.6 -61.8 -44.3 13.9 15.7 15.7 196 18 B F H >< S+ 0 0 108 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.961 113.9 50.5 -68.0 -55.6 14.4 13.4 18.7 197 19 B K H 3< S+ 0 0 38 -4,-3.4 50,-0.3 1,-0.3 -1,-0.2 0.637 117.4 41.0 -58.9 -21.0 15.5 16.1 21.2 198 20 B H T >< S+ 0 0 0 -4,-1.3 3,-2.6 -5,-0.3 13,-0.4 0.375 78.7 118.8-107.0 -0.3 12.4 18.2 20.3 199 21 B R T < S+ 0 0 52 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.709 82.2 37.9 -41.0 -30.3 10.1 15.3 20.1 200 22 B Q T 3 S+ 0 0 133 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.532 98.1 94.2-101.5 -5.7 7.9 16.7 23.0 201 23 B Q < - 0 0 39 -3,-2.6 10,-2.6 9,-0.0 11,-0.5 -0.673 54.2-170.7 -89.7 138.5 8.1 20.4 22.0 202 24 B R B -B 210 0B 42 -2,-0.3 2,-0.3 8,-0.3 7,-0.1 -0.912 27.3-105.6-129.2 155.7 5.4 22.0 19.9 203 25 B R - 0 0 32 6,-3.6 2,-2.0 -2,-0.3 5,-0.1 -0.585 38.0-114.5 -78.4 140.3 4.9 25.3 18.1 204 26 B K S S+ 0 0 150 -2,-0.3 111,-0.3 4,-0.1 -1,-0.1 -0.496 73.3 115.3 -78.5 74.8 2.5 27.6 19.8 205 27 B D S S- 0 0 15 -2,-2.0 110,-0.0 109,-0.2 103,-0.0 -0.794 80.6 -95.0-131.9 174.1 -0.3 27.7 17.2 206 28 B P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.971 125.7 45.2 -56.3 -54.0 -3.9 26.6 17.0 207 29 B Q S S- 0 0 104 1,-0.1 -3,-0.1 -3,-0.1 0, 0.0 0.822 102.4-135.8 -58.2 -32.8 -3.0 23.2 15.4 208 30 B E - 0 0 125 -5,-0.1 -4,-0.1 1,-0.1 3,-0.1 0.899 31.3-167.0 71.6 48.1 -0.2 22.7 17.9 209 31 B T - 0 0 2 1,-0.1 -6,-3.6 -7,-0.1 -1,-0.1 -0.292 30.6 -83.6 -66.4 145.1 2.2 21.5 15.2 210 32 B P B >> -B 202 0B 0 0, 0.0 3,-0.7 0, 0.0 4,-0.5 -0.110 30.4-133.4 -47.7 145.1 5.5 19.8 16.2 211 33 B Y H >> S+ 0 0 36 -10,-2.6 4,-1.2 -13,-0.4 3,-0.6 0.769 100.8 74.8 -74.6 -23.9 8.3 22.2 17.0 212 34 B V H 3> S+ 0 0 0 -11,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.821 85.9 66.1 -56.2 -30.6 10.7 20.2 14.8 213 35 B N H <> S+ 0 0 3 -3,-0.7 4,-3.8 2,-0.2 -1,-0.2 0.958 98.2 53.1 -57.0 -49.3 8.9 21.7 11.9 214 36 B H H S+ 0 0 0 -4,-4.2 4,-2.6 1,-0.2 5,-0.6 0.902 99.2 62.5 -68.4 -39.6 15.3 24.8 4.8 221 43 B I H X>S+ 0 0 4 -4,-2.9 5,-2.2 -5,-0.3 4,-1.0 0.901 106.2 47.1 -48.3 -45.8 15.1 28.6 4.3 222 44 B L H <5S+ 0 0 0 -4,-1.3 6,-2.6 3,-0.2 -1,-0.2 0.908 116.1 43.6 -65.6 -43.7 18.9 28.8 4.1 223 45 B S H <5S+ 0 0 5 -4,-1.5 -2,-0.2 4,-0.3 4,-0.2 0.989 127.6 25.3 -64.1 -63.7 19.1 25.9 1.7 224 46 B V H <5S+ 0 0 55 -4,-2.6 3,-0.2 3,-0.2 -3,-0.2 0.971 136.9 25.5 -67.1 -60.3 16.3 26.7 -0.7 225 47 B E T <> - 0 0 65 1,-0.1 3,-1.5 -227,-0.1 4,-1.5 -0.898 55.1-159.4-106.6 114.2 27.6 24.5 3.6 231 53 B E H 3>>S+ 0 0 20 -2,-0.6 4,-3.6 -229,-0.5 5,-0.5 0.817 87.4 71.7 -61.2 -34.0 26.4 21.8 6.0 232 54 B G H 3>5S+ 0 0 12 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.764 108.5 37.8 -53.7 -23.6 28.0 23.4 9.1 233 55 B V H <>5S+ 0 0 3 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.796 114.5 52.7 -93.8 -39.6 25.3 26.0 8.7 234 56 B L H X5S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.875 116.4 40.1 -66.9 -36.7 22.5 23.7 7.7 235 57 B M H X5S+ 0 0 10 -4,-3.6 4,-1.4 2,-0.2 -1,-0.2 0.889 112.2 56.4 -79.4 -36.0 23.1 21.4 10.7 236 58 B A H << S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.848 104.0 59.6 -65.8 -37.0 20.2 25.7 11.9 238 60 B L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.843 115.8 36.3 -61.1 -27.5 18.7 22.3 12.6 239 61 B L T 3X S+ 0 0 0 -4,-1.4 4,-0.6 -3,-0.4 3,-0.5 0.079 78.9 119.5-111.2 19.8 20.0 22.7 16.2 240 62 B H T <4 S+ 0 0 1 -3,-1.5 -1,-0.1 1,-0.2 -3,-0.1 0.142 89.9 24.9 -73.4 20.9 19.4 26.5 16.5 241 63 B D T > S+ 0 0 10 -3,-0.1 4,-3.4 28,-0.1 5,-0.3 0.355 97.5 88.6-158.9 -4.3 17.0 25.9 19.5 242 64 B V H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 6,-0.7 0.979 92.2 43.2 -67.2 -59.0 18.0 22.5 21.1 243 65 B V H < S+ 0 0 24 -4,-0.6 -1,-0.2 1,-0.2 7,-0.1 0.666 124.4 42.4 -63.1 -11.2 20.6 23.7 23.5 244 66 B E H 4 S+ 0 0 25 5,-0.1 -2,-0.2 27,-0.1 -1,-0.2 0.803 128.0 22.1-103.5 -40.1 18.2 26.5 24.3 245 67 B D H < S+ 0 0 59 -4,-3.4 -3,-0.2 -44,-0.0 2,-0.2 0.469 120.5 54.8-108.3 -3.4 14.7 24.9 24.4 246 68 B T S < S- 0 0 26 -4,-2.8 -48,-0.1 -5,-0.3 -49,-0.0 -0.570 92.9 -99.4-118.0-174.2 15.8 21.3 25.1 247 69 B D S S+ 0 0 122 -50,-0.3 2,-0.1 -2,-0.2 -4,-0.1 -0.031 83.0 115.8 -95.2 29.3 17.8 19.4 27.7 248 70 B A - 0 0 12 -6,-0.7 2,-0.3 -51,-0.1 -2,-0.1 -0.464 50.7-147.5 -93.7 169.7 20.9 19.2 25.4 249 71 B S >> - 0 0 47 -2,-0.1 4,-1.8 1,-0.0 3,-1.1 -0.976 30.4-110.8-139.6 151.6 24.3 20.8 25.8 250 72 B F H 3> S+ 0 0 76 -2,-0.3 4,-1.9 1,-0.3 16,-0.1 0.719 119.2 60.5 -50.9 -21.4 27.0 22.3 23.6 251 73 B E H 3> S+ 0 0 133 2,-0.2 4,-3.8 3,-0.2 5,-0.3 0.907 100.1 49.9 -75.4 -42.7 29.0 19.3 24.7 252 74 B D H <> S+ 0 0 32 -3,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.929 116.2 44.3 -58.8 -43.4 26.5 16.8 23.2 253 75 B V H X>S+ 0 0 0 -4,-1.8 4,-3.7 2,-0.2 5,-0.6 0.862 115.4 49.9 -65.6 -40.6 26.7 18.8 20.0 254 76 B E H X5S+ 0 0 72 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.957 113.2 42.3 -63.7 -57.3 30.4 19.0 20.3 255 77 B K H <5S+ 0 0 135 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.679 125.3 39.4 -68.3 -15.5 31.1 15.3 20.9 256 78 B L H <5S+ 0 0 41 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.876 134.5 10.7 -98.9 -50.8 28.5 14.5 18.2 257 79 B F H <5S- 0 0 13 -4,-3.7 4,-0.3 1,-0.3 -3,-0.2 0.405 104.5-113.8-113.3 -0.1 29.0 17.1 15.4 258 80 B G X< - 0 0 14 -4,-1.7 4,-1.3 -5,-0.6 3,-0.3 -0.170 33.8 -72.3 93.7 171.9 32.3 18.8 16.4 259 81 B P H > S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.744 117.9 76.4 -75.4 -27.4 33.3 22.3 17.5 260 82 B D H > S+ 0 0 88 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.869 111.8 24.8 -50.6 -44.5 32.8 23.6 14.0 261 83 B V H > S+ 0 0 0 -3,-0.3 4,-2.4 -4,-0.3 5,-0.3 0.697 112.2 68.6 -94.0 -28.1 29.0 23.6 14.6 262 84 B C H X S+ 0 0 9 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.845 100.9 55.4 -58.9 -30.0 29.2 23.8 18.4 263 85 B G H X S+ 0 0 25 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.930 109.6 39.9 -67.6 -48.1 30.5 27.3 17.6 264 86 B L H X S+ 0 0 6 -4,-0.6 4,-0.6 2,-0.2 -2,-0.2 0.791 114.3 53.9 -73.3 -29.8 27.5 28.5 15.5 265 87 B V H < S+ 0 0 0 -4,-2.4 3,-0.3 2,-0.2 4,-0.2 0.852 111.9 45.5 -72.0 -33.1 25.0 26.8 17.8 266 88 B R H >< S+ 0 0 162 -4,-1.5 3,-0.9 -5,-0.3 -2,-0.2 0.853 108.1 58.2 -75.5 -34.4 26.6 28.7 20.7 267 89 B E H 3< S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.655 113.7 37.7 -69.8 -15.5 26.6 31.9 18.7 268 90 B V T 3< S+ 0 0 19 -4,-0.6 2,-0.4 -3,-0.3 -1,-0.2 0.319 95.7 101.0-118.9 8.3 22.8 31.7 18.2 269 91 B T < - 0 0 27 -3,-0.9 2,-0.2 -4,-0.2 -28,-0.1 -0.792 63.0-136.0 -98.2 136.5 21.8 30.4 21.6 270 92 B D - 0 0 42 -2,-0.4 2,-1.0 1,-0.1 -2,-0.1 -0.537 23.9-109.0 -88.0 154.2 20.4 32.6 24.4 271 93 B D > - 0 0 88 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.717 27.1-164.6 -83.1 102.5 21.4 32.5 28.0 272 94 B K T 3 S+ 0 0 127 -2,-1.0 -1,-0.1 1,-0.3 4,-0.1 0.251 81.9 75.9 -75.7 17.0 18.3 31.0 29.6 273 95 B S T 3 S+ 0 0 89 2,-0.1 -1,-0.3 0, 0.0 2,-0.3 0.466 84.9 79.7 -98.0 -12.7 19.7 32.2 33.0 274 96 B L S < S- 0 0 40 -3,-2.0 5,-0.1 1,-0.1 -4,-0.0 -0.680 96.6 -91.0 -94.8 153.7 18.6 35.7 32.0 275 97 B E > - 0 0 148 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.252 41.3-100.9 -64.4 149.4 15.0 36.9 32.2 276 98 B K H > S+ 0 0 105 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.818 122.3 38.3 -34.5 -51.2 12.6 36.5 29.3 277 99 B Q H >> S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 3,-1.0 0.895 105.0 63.1 -74.0 -44.1 13.0 40.2 28.3 278 100 B E H 3> S+ 0 0 67 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.788 101.8 56.2 -53.2 -28.4 16.7 40.7 29.0 279 101 B R H 3X S+ 0 0 34 -4,-1.6 4,-0.8 -3,-0.2 -1,-0.3 0.834 107.4 45.8 -73.9 -33.7 17.4 38.1 26.3 280 102 B K H 4 S+ 0 0 1 -4,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.950 85.2 39.2 -50.4 -68.3 23.5 41.2 16.7 288 110 B A T 34 S+ 0 0 59 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.812 108.7 62.7 -54.8 -37.9 26.1 43.1 14.6 289 111 B K T 34 S+ 0 0 184 -4,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.638 86.5 101.2 -65.7 -16.4 29.1 41.5 16.5 290 112 B S S << S- 0 0 20 -3,-1.5 2,-0.2 -4,-0.6 -22,-0.0 0.075 79.2 -96.4 -61.8 175.7 28.0 38.0 15.3 291 113 B S > - 0 0 40 1,-0.1 4,-2.6 -27,-0.1 5,-0.3 -0.625 29.2-109.1 -97.4 159.1 29.7 36.1 12.4 292 114 B C H > S+ 0 0 88 1,-0.2 4,-1.5 -2,-0.2 -1,-0.1 0.914 121.1 47.2 -49.5 -48.3 28.5 35.9 8.7 293 115 B R H > S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 114.2 45.6 -63.2 -41.4 27.5 32.3 9.2 294 116 B A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.765 107.6 57.7 -72.8 -30.0 25.6 33.0 12.5 295 117 B K H X S+ 0 0 44 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.878 101.8 57.2 -67.9 -36.2 23.9 36.0 11.1 296 118 B L H X S+ 0 0 18 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.918 109.6 43.4 -57.7 -47.9 22.4 33.8 8.4 297 119 B I H X S+ 0 0 1 -4,-1.2 4,-3.2 1,-0.2 5,-0.2 0.905 112.1 54.2 -64.1 -44.8 20.8 31.5 11.0 298 120 B K H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.892 109.8 46.2 -58.4 -44.7 19.6 34.5 13.0 299 121 B L H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 -1,-0.2 0.929 113.9 48.5 -64.2 -47.1 17.9 36.0 10.0 300 122 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.954 108.3 53.9 -57.3 -52.1 16.3 32.7 9.1 301 123 B D H X S+ 0 0 26 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.899 115.2 42.8 -50.5 -42.5 15.1 32.1 12.6 302 124 B K H X S+ 0 0 4 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.991 113.1 49.0 -68.5 -59.8 13.5 35.5 12.4 303 125 B L H X S+ 0 0 0 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 0.909 113.5 46.8 -44.5 -56.7 12.0 35.2 8.9 304 126 B D H X S+ 0 0 9 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.923 111.8 50.9 -55.6 -46.7 10.5 31.8 9.6 305 127 B N H X S+ 0 0 40 -4,-1.7 4,-1.1 -5,-0.4 3,-0.3 0.954 112.4 46.7 -57.3 -48.1 9.0 32.9 12.9 306 128 B L H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-1.6 0.949 106.1 56.7 -58.1 -53.8 7.5 36.0 11.3 307 129 B R H 3< S+ 0 0 93 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 111.8 45.8 -44.2 -38.6 6.0 34.1 8.4 308 130 B D H 3< S+ 0 0 48 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.707 109.7 54.3 -80.6 -20.7 4.3 32.0 11.0 309 131 B L H << S+ 0 0 16 -3,-1.6 2,-0.3 -4,-1.1 -2,-0.2 0.718 78.4 106.5 -86.4 -24.6 3.1 35.0 13.1 310 132 B Q S < S- 0 0 34 -4,-2.0 2,-2.4 1,-0.2 3,-0.0 -0.440 107.4 -23.1 -62.1 120.0 1.4 36.8 10.3 311 133 B V S S+ 0 0 115 -2,-0.3 2,-0.6 1,-0.1 -1,-0.2 -0.380 121.0 93.1 76.3 -59.6 -2.4 36.5 10.9 312 134 B N - 0 0 83 -2,-2.4 -1,-0.1 -4,-0.1 0, 0.0 -0.518 67.4-156.7 -69.1 111.0 -1.9 33.3 13.0 313 135 B T - 0 0 39 -2,-0.6 3,-0.2 1,-0.1 6,-0.1 -0.750 19.4-106.7 -95.8 137.3 -1.7 34.5 16.6 314 136 B P > - 0 0 19 0, 0.0 3,-1.6 0, 0.0 2,-0.2 0.047 53.8 -69.5 -52.7 166.1 0.0 32.4 19.3 315 137 B T T 3 S- 0 0 94 -111,-0.3 -111,-0.0 1,-0.3 -110,-0.0 -0.427 116.3 -12.0 -63.1 124.3 -2.0 30.6 22.0 316 138 B G T 3 S+ 0 0 83 -2,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.816 95.7 160.0 51.6 36.4 -3.5 33.1 24.4 317 139 B W < - 0 0 55 -3,-1.6 -1,-0.2 -4,-0.1 5,-0.0 -0.785 43.3-119.1 -94.6 126.0 -1.4 35.9 22.9 318 140 B T > - 0 0 92 -2,-0.5 4,-1.7 1,-0.2 5,-0.1 -0.251 19.4-126.3 -56.6 147.0 -2.5 39.5 23.4 319 141 B Q H > S+ 0 0 108 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.816 113.0 51.4 -66.3 -27.9 -3.1 41.2 20.2 320 142 B E H >> S+ 0 0 134 2,-0.2 3,-2.2 1,-0.2 4,-2.0 0.964 105.8 51.6 -70.6 -54.1 -0.7 43.9 21.4 321 143 B R H 3> S+ 0 0 93 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.837 101.9 63.9 -50.1 -36.2 2.0 41.5 22.2 322 144 B R H 3X S+ 0 0 21 -4,-1.7 4,-0.6 1,-0.2 -1,-0.3 0.809 107.8 41.7 -59.6 -31.3 1.6 40.1 18.7 323 145 B D H XX S+ 0 0 77 -3,-2.2 4,-1.6 -4,-0.6 3,-1.1 0.936 105.1 61.1 -82.5 -49.4 2.7 43.5 17.4 324 146 B Q H 3X S+ 0 0 118 -4,-2.0 4,-3.0 1,-0.3 5,-0.2 0.803 98.8 60.0 -45.8 -37.2 5.6 44.1 19.8 325 147 B Y H 3X S+ 0 0 45 -4,-1.7 4,-4.0 1,-0.2 -1,-0.3 0.929 103.6 50.2 -58.9 -45.9 7.3 41.0 18.5 326 148 B F H < S+ 0 0 0 -4,-1.7 3,-1.3 -3,-0.3 4,-0.4 0.941 113.9 52.0 -73.1 -49.7 17.3 42.7 15.7 333 155 B V H 3< S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.3 3,-0.4 0.715 104.4 58.8 -58.1 -25.7 17.0 42.3 11.9 334 156 B D H 3< S+ 0 0 59 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.760 106.2 46.4 -77.5 -26.4 18.3 45.8 11.4 335 157 B N S << S+ 0 0 69 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.371 111.4 53.7 -95.0 4.3 21.5 45.0 13.3 336 158 B L S > S+ 0 0 0 -3,-0.4 3,-0.6 -4,-0.4 -2,-0.2 0.487 82.9 119.6-111.8 -9.4 22.0 41.8 11.2 337 159 B R T 3 + 0 0 62 -4,-0.5 4,-0.1 1,-0.2 -3,-0.1 0.224 51.6 55.6 -46.5 175.6 21.7 43.5 7.8 338 160 B G T 3 S+ 0 0 77 2,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.437 89.9 93.2 73.5 -2.5 24.5 43.3 5.3 339 161 B T S < S+ 0 0 29 -3,-0.6 2,-0.5 1,-0.3 -2,-0.1 0.960 93.1 1.3 -84.9 -77.3 24.3 39.5 5.6 340 162 B N > - 0 0 26 1,-0.2 4,-2.3 -45,-0.1 5,-0.3 -0.965 54.6-158.0-122.1 117.9 22.1 38.0 2.9 341 163 B A H > S+ 0 0 75 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.920 94.7 46.9 -57.6 -44.3 20.4 40.2 0.4 342 164 B N H > S+ 0 0 61 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.919 114.3 43.7 -66.5 -47.4 17.7 37.7 -0.4 343 165 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.979 117.3 45.8 -62.5 -55.4 16.8 36.7 3.2 344 166 B E H X S+ 0 0 19 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.862 110.0 56.8 -55.0 -39.0 16.8 40.4 4.4 345 167 B L H X S+ 0 0 108 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.969 108.6 44.4 -55.2 -57.7 14.7 41.3 1.3 346 168 B K H X S+ 0 0 59 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.816 111.3 56.1 -57.2 -33.5 12.0 38.9 2.2 347 169 B L H >X S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-1.1 0.963 106.6 48.7 -64.0 -50.9 12.2 40.1 5.7 348 170 B D H 3X S+ 0 0 25 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.811 103.9 60.4 -57.7 -32.2 11.6 43.6 4.6 349 171 B E H 3X S+ 0 0 103 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.765 103.8 51.8 -67.7 -23.8 8.7 42.5 2.5 350 172 B I H S+ 0 0 0 -4,-1.1 5,-3.0 2,-0.2 4,-2.2 0.790 109.7 56.2 -85.3 -31.8 7.7 44.6 7.5 352 174 B R H <5S+ 0 0 123 -4,-2.6 -2,-0.2 3,-0.2 5,-0.2 0.974 108.9 45.6 -62.9 -54.5 6.4 46.5 4.5 353 175 B Q H <5S+ 0 0 121 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.943 116.9 44.5 -52.0 -55.1 3.0 44.7 4.4 354 176 B R H <5S- 0 0 79 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.835 120.0-110.8 -60.2 -36.5 2.6 45.1 8.2 355 177 B G T <5S+ 0 0 58 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.848 80.6 118.8 104.4 49.4 3.7 48.7 8.0 356 178 B L < 0 0 63 -5,-3.0 -4,-0.2 1,-0.3 -5,-0.1 0.380 360.0 360.0-119.5 -4.4 7.1 49.0 9.7 357 179 B L 0 0 83 -6,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 -0.965 360.0 360.0-168.9 360.0 9.1 50.3 6.7