==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT/HYDROLASE 05-AUG-03 1UJJ . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SHIBA,S.KAMETAKA,M.KAWASAKI,M.SHIBATA,S.WAGURI,Y.UCHIYAMA, . 287 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14950.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 77.0 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 . 2 0.7 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 56.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 3 0 0 3 3 2 0 0 2 2 0 0 0 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 . 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 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 7 A P 0 0 160 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.2 101.9 40.3 2.6 2 8 A E - 0 0 93 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.416 360.0-110.2 -71.0 150.2 105.6 39.6 3.1 3 9 A T > - 0 0 75 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.165 32.4 -97.3 -74.3 173.1 106.7 36.1 2.8 4 10 A L H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.897 124.4 54.8 -58.7 -41.0 107.9 33.9 5.7 5 11 A E H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.967 108.3 47.2 -57.3 -53.7 111.5 34.7 4.9 6 12 A A H > S+ 0 0 37 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.888 113.0 51.0 -56.7 -37.9 110.9 38.4 5.0 7 13 A R H X S+ 0 0 29 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.925 112.2 44.9 -66.7 -41.3 109.1 38.0 8.2 8 14 A I H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.878 107.4 57.4 -71.5 -37.5 111.9 35.9 9.8 9 15 A N H < S+ 0 0 75 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.824 113.6 41.4 -62.9 -29.0 114.7 38.2 8.7 10 16 A R H >< S+ 0 0 88 -4,-1.2 3,-0.7 -5,-0.3 -2,-0.2 0.918 114.1 50.5 -83.3 -44.4 113.0 41.1 10.4 11 17 A A H 3< S+ 0 0 0 -4,-2.5 9,-0.4 1,-0.2 -2,-0.2 0.762 125.8 28.2 -63.9 -25.6 112.0 39.1 13.5 12 18 A T T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.303 85.5 146.2-117.7 7.1 115.6 37.8 13.9 13 19 A N X - 0 0 48 -3,-0.7 3,-1.8 -4,-0.3 -3,-0.1 -0.215 49.0-138.9 -50.7 123.6 117.4 40.8 12.3 14 20 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.640 100.8 60.8 -58.8 -17.3 120.9 41.4 14.0 15 21 A L T 3 S+ 0 0 149 -5,-0.0 -2,-0.1 41,-0.0 -5,-0.0 0.618 72.7 115.3 -86.0 -18.0 120.2 45.1 13.8 16 22 A N < - 0 0 32 -3,-1.8 3,-0.1 1,-0.2 4,-0.0 -0.331 53.9-157.5 -53.8 132.8 117.0 45.1 15.9 17 23 A K S S+ 0 0 209 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.711 79.4 9.3 -84.5 -20.6 117.8 47.0 19.1 18 24 A E S S- 0 0 154 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.928 106.9 -63.4-148.9 164.3 115.0 45.2 20.9 19 25 A L - 0 0 42 -2,-0.3 2,-1.5 1,-0.1 3,-0.2 -0.279 40.4-138.1 -56.1 129.8 112.7 42.2 20.1 20 26 A D > + 0 0 38 -9,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.408 32.9 169.8 -88.7 59.5 110.5 42.9 17.1 21 27 A W H > S+ 0 0 47 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.759 71.7 59.5 -43.1 -31.0 107.4 41.3 18.7 22 28 A A H > S+ 0 0 55 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.993 109.9 37.8 -61.3 -71.9 105.3 42.7 15.9 23 29 A S H > S+ 0 0 5 1,-0.2 4,-1.1 2,-0.2 -12,-0.2 0.766 115.5 58.0 -47.4 -34.5 107.1 40.9 13.0 24 30 A I H >X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-1.5 0.987 105.8 46.2 -60.8 -61.5 107.5 37.9 15.3 25 31 A N H 3X S+ 0 0 20 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.905 109.4 56.5 -46.5 -48.2 103.8 37.5 15.8 26 32 A G H 3X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.801 105.1 54.0 -56.3 -29.8 103.3 38.0 12.1 27 33 A F H < S+ 0 0 88 -4,-2.0 3,-0.7 -5,-0.3 -2,-0.2 0.985 111.4 41.6 -71.1 -62.2 100.6 33.7 12.1 30 36 A Q H >X S+ 0 0 29 -4,-2.4 3,-1.5 1,-0.2 4,-0.6 0.878 111.2 55.2 -55.4 -45.2 101.5 33.3 8.5 31 37 A L H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.830 101.1 60.3 -61.1 -32.3 103.3 30.0 8.9 32 38 A N T << S+ 0 0 55 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.156 104.7 49.0 -83.0 18.7 100.2 28.4 10.5 33 39 A E T <4 S+ 0 0 134 -3,-1.5 2,-0.4 1,-0.0 -1,-0.2 0.477 91.5 80.5-131.3 -12.5 98.1 29.0 7.4 34 40 A D S << S- 0 0 51 -4,-0.6 3,-0.4 -3,-0.6 -1,-0.0 -0.802 70.8-137.8-101.0 142.3 100.1 27.8 4.4 35 41 A F S S+ 0 0 183 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.920 114.6 39.2 -60.5 -41.3 100.2 24.1 3.6 36 42 A E S > S+ 0 0 141 1,-0.1 4,-1.8 2,-0.1 -1,-0.3 0.518 98.0 98.4 -82.5 -8.0 104.0 24.6 2.9 37 43 A G H >> S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 3,-0.6 0.926 77.2 41.3 -44.6 -78.5 104.0 26.9 6.0 38 44 A P H 3> S+ 0 0 1 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.874 115.5 49.1 -42.1 -55.7 105.3 24.8 8.9 39 45 A P H 3> S+ 0 0 40 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.868 115.7 45.2 -56.3 -39.2 108.1 22.9 7.0 40 46 A L H < S+ 0 0 23 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.916 108.0 54.9 -58.7 -44.4 118.9 31.2 12.1 49 55 A I H 3< S+ 0 0 4 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.2 52.1 -61.3 -31.0 119.4 29.3 15.4 50 56 A Q T 3< S+ 0 0 58 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.379 80.9 129.3 -88.0 8.1 122.7 28.1 14.1 51 57 A S < - 0 0 19 -3,-2.0 6,-0.1 1,-0.2 -3,-0.1 -0.261 62.8-135.3 -62.8 148.4 124.0 31.5 13.2 52 58 A P S S+ 0 0 131 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.742 90.4 88.2 -72.8 -22.2 127.4 32.5 14.5 53 59 A Q S >> S- 0 0 113 1,-0.2 4,-1.6 2,-0.1 3,-1.4 -0.660 71.5-157.3 -81.2 99.9 125.9 35.8 15.5 54 60 A E H 3> S+ 0 0 78 -2,-1.1 4,-3.3 1,-0.3 3,-0.5 0.862 89.2 54.5 -44.4 -51.9 124.5 35.1 19.0 55 61 A W H 3> S+ 0 0 88 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.835 108.7 51.2 -57.3 -31.2 121.9 37.9 18.9 56 62 A E H <> S+ 0 0 23 -3,-1.4 4,-1.4 2,-0.2 -1,-0.3 0.838 113.3 44.6 -75.2 -30.0 120.5 36.4 15.7 57 63 A A H X S+ 0 0 2 -4,-1.6 4,-2.5 -3,-0.5 -2,-0.2 0.926 110.4 53.3 -78.1 -43.2 120.3 33.0 17.3 58 64 A I H X S+ 0 0 18 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.883 111.1 46.3 -57.3 -44.7 118.8 34.2 20.6 59 65 A Q H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 -1,-0.2 0.922 110.3 53.6 -66.0 -43.7 115.9 36.0 18.7 60 66 A A H X S+ 0 0 0 -4,-1.4 4,-3.1 1,-0.2 -2,-0.2 0.919 108.4 50.0 -55.7 -45.4 115.4 32.9 16.5 61 67 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.906 109.0 52.2 -59.7 -41.4 115.0 30.8 19.7 62 68 A T H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.908 109.9 49.0 -63.0 -41.0 112.5 33.4 21.0 63 69 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.966 110.8 49.2 -62.7 -49.7 110.6 33.1 17.9 64 70 A L H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.934 112.2 50.0 -52.8 -48.2 110.6 29.3 18.1 65 71 A E H X S+ 0 0 47 -4,-2.9 4,-0.8 -5,-0.2 -1,-0.2 0.934 111.7 48.5 -55.4 -49.3 109.5 29.6 21.7 66 72 A T H >X S+ 0 0 5 -4,-2.7 3,-2.1 1,-0.2 4,-0.8 0.969 109.9 47.4 -58.8 -61.2 106.6 31.9 20.8 67 73 A a H 3< S+ 0 0 3 -4,-2.5 3,-0.5 1,-0.3 5,-0.4 0.801 107.7 59.0 -54.3 -28.6 105.1 30.0 17.9 68 74 A M H 3< S+ 0 0 6 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.746 100.5 58.0 -72.0 -21.1 105.2 26.9 20.0 69 75 A K H << S+ 0 0 61 -3,-2.1 143,-2.6 -4,-0.8 -1,-0.2 0.687 90.1 82.3 -82.6 -21.8 103.0 28.6 22.6 70 76 A S B < S-A 211 0A 33 -4,-0.8 2,-0.7 -3,-0.5 141,-0.3 -0.449 102.9 -98.3 -79.9 160.7 100.1 29.3 20.2 71 77 A C S S+ 0 0 84 139,-2.9 2,-1.5 -2,-0.1 3,-0.2 0.139 73.4 146.5 -66.5 25.7 97.6 26.6 19.5 72 78 A G > + 0 0 3 -2,-0.7 4,-1.5 -5,-0.4 5,-0.1 -0.502 20.1 172.9 -69.2 91.5 99.6 26.0 16.3 73 79 A K H > S+ 0 0 131 -2,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.843 78.0 55.6 -69.0 -33.7 99.2 22.2 16.1 74 80 A R H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.902 104.4 52.0 -65.8 -40.6 100.9 22.3 12.7 75 81 A F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.900 105.4 55.7 -63.2 -40.0 104.0 24.0 14.1 76 82 A H H X S+ 0 0 8 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.823 103.3 57.0 -62.5 -30.8 104.3 21.3 16.8 77 83 A D H X S+ 0 0 71 -4,-1.1 4,-0.8 -3,-0.3 -1,-0.2 0.965 111.2 40.0 -65.6 -51.2 104.3 18.7 14.0 78 84 A E H >< S+ 0 0 27 -4,-1.7 3,-1.3 1,-0.2 6,-0.3 0.955 117.4 47.7 -62.0 -50.9 107.3 20.2 12.3 79 85 A V H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 109.5 57.4 -59.1 -32.5 109.2 21.0 15.5 80 86 A G H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 2,-0.2 0.669 87.3 92.8 -74.5 -17.2 108.4 17.5 16.7 81 87 A K S XX S- 0 0 41 -3,-1.3 3,-2.8 -4,-0.8 4,-2.1 -0.538 82.1-127.5 -79.4 142.4 110.1 15.8 13.7 82 88 A F H 3> S+ 0 0 12 203,-0.4 4,-2.6 1,-0.3 5,-0.3 0.756 105.7 80.4 -59.3 -20.8 113.7 14.8 14.1 83 89 A R H 34 S+ 0 0 95 1,-0.2 -1,-0.3 202,-0.2 4,-0.2 0.812 110.2 23.7 -55.8 -26.3 114.1 16.7 10.9 84 90 A F H <> S+ 0 0 2 -3,-2.8 4,-1.0 -6,-0.3 3,-0.3 0.754 116.8 61.5-108.5 -35.3 114.1 19.7 13.2 85 91 A L H >X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 3,-0.7 0.895 98.5 59.3 -60.0 -38.8 115.2 18.2 16.5 86 92 A N H 3X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.905 100.1 56.7 -57.0 -42.2 118.6 17.2 15.0 87 93 A E H 3> S+ 0 0 46 -5,-0.3 4,-0.8 -3,-0.3 -1,-0.3 0.812 107.7 47.4 -58.5 -33.1 119.4 20.8 14.2 88 94 A L H <> - 0 0 0 -4,-2.7 5,-3.0 -5,-0.2 3,-1.3 -0.557 65.5-146.3 -80.7 136.6 126.2 18.9 21.2 94 100 A P T 3 5S+ 0 0 75 0, 0.0 5,-0.4 0, 0.0 -1,-0.1 0.819 96.6 71.6 -65.4 -29.9 130.0 19.2 21.4 95 101 A K T 3 5S+ 0 0 149 3,-0.1 -5,-0.1 4,-0.1 -2,-0.0 0.603 119.2 7.2 -62.2 -12.5 130.2 16.5 18.6 96 102 A Y T < 5S- 0 0 54 -3,-1.3 3,-0.4 -7,-0.2 4,-0.2 0.139 137.1 -21.4-130.9-110.7 129.0 19.2 16.2 97 103 A L T >>5S+ 0 0 53 -7,-1.9 4,-1.1 1,-0.2 3,-0.6 0.628 101.7 100.6 -86.5 -16.2 128.5 22.9 16.9 98 104 A G T 34 - 0 0 38 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.294 18.5-127.9 -64.0 140.4 127.6 30.4 23.1 103 109 A E H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.899 110.7 57.8 -50.4 -43.3 126.7 29.1 26.6 104 110 A K H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.941 108.2 43.5 -54.9 -52.7 123.7 31.4 26.5 105 111 A V H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 114.7 49.4 -63.3 -43.7 122.3 29.9 23.3 106 112 A K H X S+ 0 0 41 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.941 109.8 49.9 -63.3 -46.5 122.8 26.4 24.4 107 113 A N H X S+ 0 0 49 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.887 109.4 53.0 -59.3 -39.2 121.2 26.8 27.8 108 114 A K H X S+ 0 0 36 -4,-1.9 4,-3.2 -5,-0.3 -1,-0.2 0.945 109.0 48.9 -60.9 -47.6 118.2 28.4 26.2 109 115 A I H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.943 109.9 51.3 -56.8 -52.3 117.7 25.5 23.8 110 116 A L H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.932 112.4 46.4 -54.7 -45.4 118.0 22.9 26.6 111 117 A E H X S+ 0 0 127 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.940 109.8 54.2 -63.2 -45.3 115.3 24.8 28.6 112 118 A L H X S+ 0 0 7 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.924 110.5 47.0 -53.7 -45.7 113.1 25.1 25.5 113 119 A L H X S+ 0 0 3 -4,-2.7 4,-1.7 2,-0.2 3,-0.3 0.915 111.1 50.6 -62.8 -46.2 113.3 21.3 25.1 114 120 A Y H >X S+ 0 0 130 -4,-2.4 3,-1.5 1,-0.2 4,-1.2 0.982 106.4 54.4 -54.0 -59.7 112.6 20.6 28.7 115 121 A S H 3X S+ 0 0 57 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.780 108.7 51.0 -46.7 -32.3 109.5 22.8 28.8 116 122 A W H 3X S+ 0 0 13 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.3 0.826 101.2 58.3 -79.3 -29.2 108.2 20.9 25.8 117 123 A T H << S+ 0 0 34 -4,-1.7 -1,-0.2 -3,-1.5 -2,-0.2 0.733 116.3 40.7 -69.6 -16.3 108.7 17.5 27.5 118 124 A V H < S+ 0 0 84 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.1 0.914 124.3 29.4 -92.7 -66.2 106.4 19.0 30.1 119 125 A G H < S+ 0 0 54 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.507 128.8 42.1 -77.4 -1.1 103.7 20.9 28.3 120 126 A L >< + 0 0 13 -4,-1.6 3,-2.8 -5,-0.2 -1,-0.2 -0.179 56.5 146.0-138.8 46.5 103.8 18.7 25.2 121 127 A P T 3 + 0 0 88 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.812 68.5 77.5 -52.7 -28.3 104.1 15.0 26.3 122 128 A E T 3 S+ 0 0 138 1,-0.2 2,-0.9 -3,-0.1 -5,-0.1 0.803 84.3 71.0 -49.9 -31.3 102.0 14.3 23.2 123 129 A E <> + 0 0 29 -3,-2.8 4,-1.1 -7,-0.2 -1,-0.2 -0.784 60.1 172.6 -93.0 99.4 105.3 14.8 21.3 124 130 A V H > S+ 0 0 95 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.855 72.3 64.0 -76.8 -36.0 107.5 11.8 22.1 125 131 A K H > S+ 0 0 69 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.871 102.1 52.0 -56.9 -35.9 110.2 12.6 19.6 126 132 A I H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.952 112.5 43.7 -64.8 -48.2 111.0 15.8 21.6 127 133 A A H X S+ 0 0 41 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.859 113.9 53.5 -62.5 -36.0 111.2 13.8 24.9 128 134 A E H X S+ 0 0 100 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.944 111.8 43.0 -63.1 -51.4 113.2 11.3 23.0 129 135 A A H X S+ 0 0 1 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.914 114.4 50.8 -61.8 -45.2 115.7 13.9 21.8 130 136 A Y H X S+ 0 0 35 -4,-3.0 4,-1.2 1,-0.2 3,-0.2 0.914 106.4 55.7 -59.7 -43.4 115.8 15.5 25.1 131 137 A Q H X S+ 0 0 73 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.876 103.5 54.5 -59.1 -38.5 116.5 12.2 26.8 132 138 A M H X S+ 0 0 19 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.881 103.1 54.9 -63.8 -39.1 119.6 11.6 24.6 133 139 A L H <>S+ 0 0 0 -4,-1.5 6,-2.0 -3,-0.2 5,-1.3 0.809 106.1 55.7 -63.6 -27.0 121.1 14.9 25.6 134 140 A K H ><5S+ 0 0 98 -4,-1.2 3,-1.0 -3,-0.3 -2,-0.2 0.956 107.9 45.1 -68.1 -51.8 120.7 13.7 29.1 135 141 A K H 3<5S+ 0 0 163 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.892 110.0 54.6 -58.9 -43.9 122.7 10.5 28.5 136 142 A Q T 3<5S- 0 0 77 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.674 117.0-118.0 -64.5 -17.0 125.4 12.4 26.6 137 143 A G T < 5S+ 0 0 42 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.412 84.3 120.4 93.2 -2.4 125.7 14.5 29.7 138 144 A I < + 0 0 17 -5,-1.3 2,-1.6 1,-0.2 -4,-0.2 0.908 67.7 65.4 -59.7 -41.6 124.6 17.7 27.9 139 145 A V 0 0 24 -6,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.642 360.0 360.0 -83.7 85.3 121.7 17.9 30.3 140 146 A K 0 0 181 -2,-1.6 -1,-0.2 -3,-0.0 -2,-0.1 0.978 360.0 360.0 -54.9 360.0 123.7 18.5 33.5 141 !* 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 0.0 142 7 B P 0 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.7 108.8 40.5 41.0 143 8 B E - 0 0 65 4,-0.0 2,-0.1 28,-0.0 0, 0.0 -0.687 360.0-179.0-138.9 86.0 106.1 40.1 38.3 144 9 B T > - 0 0 78 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.357 40.2-113.8 -77.6 159.9 102.5 39.9 39.5 145 10 B L H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.865 116.5 58.3 -62.9 -35.0 99.6 39.5 37.1 146 11 B E H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 106.1 47.6 -58.2 -51.4 98.4 43.0 38.0 147 12 B A H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.934 112.2 49.8 -56.9 -48.5 101.6 44.6 37.0 148 13 B R H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.929 112.2 47.6 -58.5 -45.3 101.7 42.6 33.7 149 14 B I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.839 109.3 51.8 -67.9 -32.6 98.1 43.6 32.9 150 15 B N H < S+ 0 0 71 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.856 113.8 45.2 -72.7 -30.0 98.5 47.4 33.6 151 16 B R H >< S+ 0 0 91 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.917 113.6 48.8 -75.9 -43.7 101.5 47.4 31.4 152 17 B A H 3< S+ 0 0 0 -4,-2.5 9,-0.4 1,-0.2 -2,-0.2 0.743 123.8 31.3 -68.2 -25.5 99.8 45.5 28.6 153 18 B T T 3< S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.194 85.2 144.8-116.5 13.3 96.7 47.7 28.7 154 19 B N X - 0 0 51 -3,-0.7 3,-1.1 1,-0.2 -3,-0.1 -0.289 50.4-139.2 -56.0 132.3 98.4 50.9 29.7 155 20 B P T 3 S+ 0 0 49 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.623 99.8 63.9 -67.2 -15.4 96.7 54.0 28.0 156 21 B L T 3 S+ 0 0 148 -5,-0.1 -2,-0.1 40,-0.0 -5,-0.0 0.693 70.6 119.8 -82.9 -21.0 100.2 55.4 27.4 157 22 B N < - 0 0 34 -3,-1.1 3,-0.1 1,-0.2 4,-0.0 -0.205 50.8-159.4 -48.9 123.6 101.3 52.7 25.1 158 23 B K S S+ 0 0 212 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.780 79.8 0.6 -76.2 -27.2 102.2 54.2 21.7 159 24 B E S S- 0 0 145 -3,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.938 106.7 -56.7-150.1 170.1 101.7 50.8 20.2 160 25 B L - 0 0 62 -2,-0.3 2,-1.1 1,-0.1 3,-0.2 -0.239 43.4-140.2 -56.0 135.1 100.8 47.3 21.3 161 26 B D >> + 0 0 35 -9,-0.4 4,-3.1 1,-0.2 3,-0.5 -0.618 29.4 169.2 -97.5 74.4 103.1 46.0 24.1 162 27 B W H 3> S+ 0 0 42 -2,-1.1 4,-2.6 1,-0.2 5,-0.3 0.731 72.9 66.6 -59.7 -21.7 103.4 42.4 23.0 163 28 B A H 3> S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.974 113.5 29.3 -62.4 -53.4 106.2 41.9 25.5 164 29 B S H <> S+ 0 0 5 -3,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.888 117.9 58.4 -73.9 -40.0 103.7 42.4 28.4 165 30 B I H X S+ 0 0 2 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.972 114.2 38.6 -51.9 -57.1 100.8 41.0 26.4 166 31 B N H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.931 113.7 53.8 -61.0 -48.3 102.7 37.7 25.9 167 32 B G H X S+ 0 0 11 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.871 108.3 53.3 -55.4 -36.4 104.2 37.8 29.4 168 33 B F H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.980 108.0 46.3 -63.5 -57.0 100.7 38.1 30.8 169 34 B b H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.865 116.3 47.9 -53.4 -37.9 99.1 35.1 29.0 170 35 B E H X S+ 0 0 52 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.903 108.9 52.1 -70.3 -41.5 102.2 33.0 30.0 171 36 B Q H < S+ 0 0 51 -4,-2.5 3,-0.3 -5,-0.2 -2,-0.2 0.844 111.8 46.7 -63.7 -36.3 102.1 34.1 33.7 172 37 B L H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 6,-0.2 0.912 106.5 56.3 -73.7 -42.9 98.4 33.2 34.0 173 38 B N H 3< S+ 0 0 48 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.620 106.8 56.2 -63.1 -13.1 98.8 29.8 32.3 174 39 B E T 3< S+ 0 0 139 -4,-0.6 -1,-0.3 -3,-0.3 2,-0.2 -0.422 97.6 63.4-119.3 56.9 101.4 29.0 35.0 175 40 B D X - 0 0 83 -3,-0.7 3,-0.8 -2,-0.1 -1,-0.0 -0.830 70.0-132.5-175.0 134.5 99.6 29.6 38.3 176 41 B F T 3 S+ 0 0 182 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.905 113.1 33.0 -59.9 -45.1 96.6 27.9 40.0 177 42 B E T 3> S+ 0 0 131 1,-0.1 4,-1.1 2,-0.1 -1,-0.3 0.341 99.9 93.0 -93.9 8.3 94.9 31.2 40.9 178 43 B G H X> S+ 0 0 1 -3,-0.8 4,-2.8 -6,-0.2 3,-0.7 0.985 80.3 46.2 -64.9 -63.5 96.2 32.8 37.7 179 44 B P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.875 113.7 48.9 -48.9 -47.5 93.3 32.2 35.2 180 45 B P H 3> S+ 0 0 28 0, 0.0 4,-1.3 0, 0.0 -2,-0.2 0.834 114.5 47.3 -63.9 -31.2 90.6 33.3 37.7 181 46 B L H < S+ 0 0 24 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.892 109.1 55.6 -65.5 -37.3 90.0 46.7 31.6 190 55 B I H 3< S+ 0 0 2 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.891 107.3 49.6 -63.0 -35.2 87.5 45.8 28.9 191 56 B Q T 3< S+ 0 0 61 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.291 82.7 128.2 -86.7 10.2 84.9 48.0 30.6 192 57 B S < - 0 0 20 -3,-1.4 6,-0.1 1,-0.1 -3,-0.1 -0.324 62.4-134.8 -66.7 149.7 87.2 51.0 30.9 193 58 B P S S+ 0 0 130 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.679 87.6 87.4 -77.1 -21.4 85.8 54.3 29.6 194 59 B Q S >> S- 0 0 111 1,-0.2 4,-2.0 2,-0.1 3,-0.8 -0.730 72.7-152.5 -83.5 110.9 89.2 55.0 27.9 195 60 B E H 3> S+ 0 0 86 -2,-0.8 4,-3.1 1,-0.3 5,-0.2 0.907 92.1 55.6 -49.6 -53.1 88.9 53.3 24.5 196 61 B W H 3> S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.866 110.2 49.7 -52.5 -34.7 92.6 52.6 24.1 197 62 B E H <> S+ 0 0 22 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.997 111.4 44.1 -67.5 -61.8 92.5 50.8 27.4 198 63 B A H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.893 114.2 53.8 -48.1 -45.7 89.5 48.6 26.6 199 64 B I H >X S+ 0 0 25 -4,-3.1 4,-2.5 2,-0.2 3,-1.0 0.974 108.7 44.6 -55.4 -62.3 90.9 47.8 23.2 200 65 B Q H 3X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.900 111.0 57.3 -51.6 -39.0 94.3 46.6 24.3 201 66 B A H 3X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.3 0.866 106.8 48.0 -60.0 -36.0 92.5 44.6 26.9 202 67 B L H X S+ 0 0 43 -4,-2.5 4,-2.1 2,-0.2 3,-0.6 0.956 112.8 47.3 -68.8 -52.6 92.4 37.5 22.0 207 72 B T H 3X S+ 0 0 10 -4,-3.4 4,-1.0 1,-0.3 -2,-0.2 0.873 110.3 51.9 -59.1 -39.8 96.1 36.7 22.3 208 73 B b H 3< S+ 0 0 1 -4,-2.9 5,-0.4 -5,-0.2 -1,-0.3 0.775 109.7 50.9 -69.8 -24.4 95.6 34.6 25.4 209 74 B M H << S+ 0 0 9 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.873 103.2 58.6 -78.2 -38.0 92.9 32.6 23.7 210 75 B K H < S+ 0 0 79 -4,-2.1 -139,-2.9 2,-0.1 -2,-0.2 0.753 94.7 83.5 -62.5 -25.2 95.1 31.9 20.7 211 76 B S B < S-A 70 0A 15 -4,-1.0 2,-0.3 -141,-0.3 -141,-0.3 -0.282 105.0 -94.0 -77.8 166.4 97.7 30.2 22.9 212 77 B C S S+ 0 0 68 -143,-2.6 -1,-0.1 -144,-0.1 -142,-0.1 0.209 70.5 158.4 -65.8 21.8 97.5 26.6 24.0 213 78 B G + 0 0 7 -5,-0.4 4,-0.1 -2,-0.3 -43,-0.0 -0.223 17.1 175.7 -51.3 128.2 95.8 28.0 27.1 214 79 B K S > S+ 0 0 136 -41,-0.1 4,-0.8 2,-0.1 3,-0.4 0.868 74.1 32.5-100.8 -64.4 93.8 25.3 28.9 215 80 B R H >> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 3,-1.0 0.895 112.3 63.2 -62.2 -41.9 92.3 26.7 32.1 216 81 B F H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.866 97.3 58.3 -51.8 -39.8 91.9 30.2 30.7 217 82 B H H 3> S+ 0 0 30 -3,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.875 105.7 49.9 -59.4 -36.3 89.5 28.8 28.2 218 83 B D H X S- 0 0 96 -4,-1.7 4,-2.1 1,-0.1 3,-0.6 -0.192 84.7-119.9 -57.5 143.3 81.9 30.8 32.6 223 88 B F H 3> S+ 0 0 127 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.812 107.2 74.4 -53.0 -32.7 78.9 33.2 32.6 224 89 B R H 3> S+ 0 0 170 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.944 108.6 27.2 -46.1 -61.8 80.8 35.4 35.0 225 90 B F H <> S+ 0 0 6 -3,-0.6 4,-1.4 -6,-0.5 -1,-0.2 0.884 120.0 57.3 -71.5 -39.9 83.2 36.7 32.3 226 91 B L H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 3,-0.4 0.926 104.1 51.0 -59.4 -46.4 80.8 36.3 29.4 227 92 B N H X S+ 0 0 28 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.832 103.6 59.7 -61.1 -34.2 78.1 38.4 30.9 228 93 B E H X S+ 0 0 55 -4,-0.9 4,-1.5 -5,-0.4 -1,-0.2 0.901 108.1 45.0 -60.0 -43.2 80.6 41.2 31.6 229 94 B L H X S+ 0 0 2 -4,-1.4 4,-1.4 -3,-0.4 5,-0.2 0.912 110.0 55.8 -67.4 -42.1 81.3 41.4 27.8 230 95 B I H >X S+ 0 0 12 -4,-2.2 4,-3.7 1,-0.2 3,-0.6 0.932 103.3 54.4 -55.4 -47.7 77.6 41.2 27.1 231 96 B K H 3< S+ 0 0 56 -4,-2.8 8,-1.8 1,-0.2 7,-0.8 0.930 103.2 57.5 -53.5 -46.2 77.0 44.3 29.3 232 97 B V H 3< S+ 0 0 2 -4,-1.5 10,-0.3 6,-0.2 -1,-0.2 0.854 119.3 28.4 -53.8 -40.5 79.6 46.2 27.2 233 98 B V H << S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.795 99.7 94.2 -92.1 -32.7 77.7 45.6 23.9 234 99 B S ><> - 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