==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-NOV-02 1N5K . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.FIORAVANTI,A.HAOUZ,T.URSBY,H.MUNIER-LEHMANN,M.DELARUE, . 400 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 1 0 1 1 1 2 4 2 0 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 74 0, 0.0 90,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 129.5 54.3 22.1 95.2 2 2 A L E -a 91 0A 6 88,-0.2 132,-2.5 130,-0.2 133,-1.5 -0.917 360.0-176.2-108.0 120.8 51.0 22.6 93.3 3 3 A I E -ab 92 135A 0 88,-3.2 90,-3.5 -2,-0.6 2,-0.5 -0.958 9.3-159.3-119.5 128.9 47.9 21.1 94.9 4 4 A A E -ab 93 136A 0 131,-2.6 133,-3.2 -2,-0.4 2,-0.5 -0.911 6.5-151.5-108.7 133.4 44.4 21.1 93.3 5 5 A I E -ab 94 137A 0 88,-3.6 90,-2.5 -2,-0.5 2,-0.3 -0.906 24.2-178.6-102.0 126.9 41.3 20.7 95.4 6 6 A E E + b 0 138A 0 131,-2.9 133,-2.7 -2,-0.5 2,-0.2 -0.845 15.7 119.6-126.0 161.6 38.4 19.1 93.5 7 7 A G - 0 0 0 -2,-0.3 133,-0.1 131,-0.2 3,-0.1 -0.871 54.7 -76.0 160.5 167.0 34.8 18.1 94.1 8 8 A V > - 0 0 6 131,-0.3 3,-1.6 -2,-0.2 4,-0.2 -0.214 69.2 -67.8 -79.4 175.6 31.2 18.6 93.0 9 9 A D T 3 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.442 125.0 23.7 -65.4 136.3 29.2 21.6 93.9 10 10 A G T 3 S+ 0 0 40 -2,-0.1 -1,-0.3 -3,-0.1 139,-0.1 0.521 84.3 121.8 86.1 5.4 28.5 21.8 97.6 11 11 A A S < S- 0 0 0 -3,-1.6 -2,-0.1 130,-0.1 174,-0.1 0.844 80.9-115.4 -69.5 -33.1 31.5 19.6 98.5 12 12 A G > + 0 0 35 -4,-0.2 4,-1.6 -5,-0.1 5,-0.1 0.782 58.3 154.1 99.9 38.3 33.0 22.3 100.7 13 13 A K H > + 0 0 19 -5,-0.2 4,-2.6 1,-0.2 5,-0.2 0.882 68.0 56.4 -65.3 -42.7 36.2 23.1 98.7 14 14 A R H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 108.9 48.0 -57.2 -44.1 36.6 26.7 100.0 15 15 A T H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 111.8 48.7 -65.9 -40.4 36.6 25.5 103.6 16 16 A L H X S+ 0 0 4 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.887 108.6 53.9 -67.6 -38.4 39.1 22.7 102.9 17 17 A V H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.937 110.3 48.9 -59.7 -43.6 41.4 25.1 101.1 18 18 A E H X S+ 0 0 87 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.952 113.9 44.0 -60.5 -52.4 41.3 27.4 104.1 19 19 A K H X S+ 0 0 58 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.920 115.7 46.6 -60.0 -48.8 42.1 24.5 106.6 20 20 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.922 111.5 51.9 -61.9 -43.9 44.8 23.0 104.5 21 21 A S H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.923 110.1 49.9 -57.6 -44.3 46.4 26.5 103.9 22 22 A G H X S+ 0 0 35 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.873 109.5 51.7 -62.6 -37.4 46.3 27.0 107.6 23 23 A A H X S+ 0 0 14 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.924 110.0 46.8 -66.9 -46.1 48.0 23.7 108.3 24 24 A F H <>S+ 0 0 2 -4,-2.5 5,-1.8 2,-0.2 3,-0.2 0.904 112.1 52.2 -62.7 -39.6 50.9 24.3 105.8 25 25 A R H ><5S+ 0 0 134 -4,-2.2 3,-2.1 -5,-0.2 -2,-0.2 0.937 107.3 50.6 -62.1 -45.8 51.4 27.7 107.3 26 26 A A H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.768 106.6 58.3 -62.7 -24.1 51.6 26.3 110.9 27 27 A A T 3<5S- 0 0 59 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.338 127.4 -98.0 -87.9 6.0 54.2 23.9 109.5 28 28 A G T < 5S+ 0 0 67 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.796 82.1 123.5 85.3 30.1 56.4 26.7 108.3 29 29 A R < - 0 0 103 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.3 -0.933 58.7-123.1-124.9 146.9 55.5 27.0 104.6 30 30 A S - 0 0 42 -2,-0.4 60,-1.7 57,-0.0 2,-0.4 -0.655 31.3-163.3 -84.4 145.0 54.2 29.9 102.6 31 31 A V E -c 90 0A 6 -2,-0.3 2,-0.3 58,-0.2 60,-0.2 -0.995 14.3-176.4-136.9 135.3 50.9 29.3 100.8 32 32 A A E -c 91 0A 9 58,-2.4 60,-2.8 -2,-0.4 2,-0.3 -0.933 12.2-158.8-124.0 148.4 49.1 31.0 97.9 33 33 A T E -c 92 0A 71 -2,-0.3 2,-0.3 58,-0.2 60,-0.2 -0.936 10.5-178.2-130.8 154.2 45.7 30.1 96.6 34 34 A L E -c 93 0A 26 58,-1.8 60,-2.8 -2,-0.3 2,-0.4 -0.988 13.6-147.3-148.9 141.5 43.8 30.6 93.4 35 35 A A E -c 94 0A 47 -2,-0.3 60,-0.2 58,-0.2 61,-0.1 -0.905 18.8-114.7-118.1 143.9 40.2 29.6 92.4 36 36 A F S S+ 0 0 9 58,-2.5 2,-0.2 -2,-0.4 34,-0.0 -0.961 91.2 44.8-123.4 143.1 38.7 28.6 89.0 37 37 A P S S- 0 0 23 0, 0.0 2,-1.6 0, 0.0 33,-0.1 0.520 81.4-143.5 -68.2 153.9 36.7 29.8 87.2 38 38 A R >> - 0 0 24 -2,-0.2 3,-2.0 -4,-0.0 4,-0.8 -0.492 23.3-163.1 -88.7 67.5 38.3 33.2 87.5 39 39 A Y T 34 S+ 0 0 126 -2,-1.6 4,-0.1 1,-0.3 5,-0.0 -0.192 71.3 13.7 -52.7 137.3 35.1 35.2 87.4 40 40 A G T 34 S+ 0 0 64 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.529 117.4 74.4 73.8 6.5 35.5 38.9 86.7 41 41 A Q T <4 S+ 0 0 126 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.533 97.6 31.0-123.2 -17.6 39.1 38.3 85.6 42 42 A S X - 0 0 16 -4,-0.8 4,-2.0 1,-0.1 -1,-0.4 -0.994 64.5-137.2-145.9 139.2 38.8 36.7 82.2 43 43 A V H > S+ 0 0 57 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.891 105.6 58.5 -60.0 -41.0 36.2 37.0 79.5 44 44 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 107.8 45.7 -55.0 -48.9 36.2 33.3 78.9 45 45 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 114.2 48.3 -61.5 -45.4 35.2 32.6 82.5 46 46 A D H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.883 111.8 48.7 -64.9 -39.2 32.5 35.3 82.5 47 47 A I H X S+ 0 0 3 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.899 111.6 50.5 -67.9 -38.2 31.0 34.0 79.2 48 48 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.907 110.3 50.0 -64.0 -42.7 31.0 30.4 80.5 49 49 A A H < S+ 0 0 20 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.918 112.7 46.8 -61.7 -44.5 29.3 31.6 83.7 50 50 A E H ><>S+ 0 0 38 -4,-2.3 5,-2.2 1,-0.2 3,-1.3 0.891 108.8 55.0 -65.2 -39.8 26.7 33.5 81.6 51 51 A A H ><5S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.865 101.3 58.4 -63.0 -35.6 26.2 30.4 79.3 52 52 A L T 3<5S+ 0 0 8 -4,-1.8 101,-3.2 1,-0.3 -1,-0.3 0.667 105.4 52.1 -68.5 -14.6 25.4 28.3 82.4 53 53 A H T < 5S- 0 0 115 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.242 131.1 -89.5-104.0 11.9 22.6 30.7 83.1 54 54 A G T < 5S+ 0 0 55 -3,-1.7 3,-0.2 1,-0.3 -3,-0.2 0.416 85.1 128.5 99.7 -2.9 21.0 30.5 79.7 55 55 A E < + 0 0 102 -5,-2.2 5,-0.4 1,-0.2 -1,-0.3 -0.372 52.0 40.5 -83.6 166.2 22.8 33.3 77.9 56 56 A H S > S- 0 0 12 3,-0.1 3,-2.1 -2,-0.1 4,-0.2 0.924 99.9-106.1 64.6 49.8 24.7 33.1 74.6 57 57 A G T 3 S- 0 0 53 1,-0.2 3,-0.4 -3,-0.2 4,-0.1 -0.016 89.2 -6.0 43.2-122.4 22.2 30.9 72.7 58 58 A D T > S+ 0 0 44 1,-0.2 3,-0.9 2,-0.1 4,-0.4 0.284 100.2 108.2 -88.8 9.2 23.2 27.3 72.1 59 59 A L G X S+ 0 0 1 -3,-2.1 3,-1.5 1,-0.2 7,-0.3 0.910 77.9 48.2 -53.7 -49.6 26.7 27.6 73.5 60 60 A A G 3 S+ 0 0 9 -3,-0.4 -1,-0.2 -5,-0.4 -2,-0.1 0.680 95.8 73.4 -68.4 -16.9 26.1 25.7 76.7 61 61 A S G < S+ 0 0 78 -3,-0.9 2,-0.6 -4,-0.1 -1,-0.3 0.641 84.6 81.3 -71.8 -12.6 24.5 22.8 74.8 62 62 A S <> - 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 5,-0.2 -0.852 63.8-163.3 -98.4 119.6 28.0 21.9 73.6 63 63 A V H > S+ 0 0 8 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.938 93.5 43.8 -64.0 -48.2 30.1 19.9 76.1 64 64 A Y H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.787 109.5 57.6 -69.5 -27.5 33.4 20.6 74.3 65 65 A A H > S+ 0 0 3 2,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.945 109.5 44.1 -66.7 -49.1 32.5 24.3 73.9 66 66 A M H X S+ 0 0 1 -4,-1.9 4,-2.2 -7,-0.3 5,-0.2 0.926 113.9 50.1 -61.1 -46.1 32.0 24.7 77.6 67 67 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.871 108.8 53.2 -60.9 -37.4 35.2 22.7 78.4 68 68 A T H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 107.2 52.0 -65.7 -38.8 37.1 24.9 75.9 69 69 A L H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.929 111.2 45.2 -63.6 -46.3 35.9 28.1 77.7 70 70 A F H X S+ 0 0 24 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.876 113.4 52.1 -65.4 -34.6 37.1 26.9 81.1 71 71 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.888 108.3 49.8 -68.0 -39.2 40.3 25.7 79.6 72 72 A L H X S+ 0 0 27 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.832 106.9 56.0 -69.0 -30.6 40.9 29.1 77.9 73 73 A D H < S+ 0 0 1 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.960 110.4 44.6 -64.4 -47.7 40.2 30.8 81.3 74 74 A R H >< S+ 0 0 7 -4,-2.0 3,-1.6 1,-0.2 4,-0.5 0.853 105.6 61.9 -63.7 -34.5 43.0 28.7 82.8 75 75 A A H >< S+ 0 0 30 -4,-2.1 3,-1.2 1,-0.3 4,-0.3 0.897 101.6 52.4 -58.5 -39.0 45.3 29.4 79.8 76 76 A G T 3< S+ 0 0 50 -4,-1.5 -1,-0.3 -3,-0.4 4,-0.2 0.558 106.2 56.2 -73.8 -6.5 45.2 33.0 80.7 77 77 A A T <> S+ 0 0 0 -3,-1.6 4,-3.1 -4,-0.3 -1,-0.2 0.427 76.2 96.1-103.3 -2.6 46.2 32.1 84.3 78 78 A V H <> S+ 0 0 22 -3,-1.2 4,-3.0 -4,-0.5 5,-0.3 0.927 84.8 49.8 -53.7 -48.4 49.4 30.3 83.4 79 79 A H H > S+ 0 0 144 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.896 112.6 48.3 -59.2 -39.6 51.6 33.3 84.0 80 80 A T H > S+ 0 0 62 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.953 112.4 48.0 -65.4 -49.1 49.9 33.8 87.4 81 81 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.911 111.6 49.5 -58.7 -45.5 50.3 30.2 88.4 82 82 A Q H X S+ 0 0 85 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.2 0.891 110.4 52.2 -62.2 -37.7 54.0 30.2 87.3 83 83 A G H X S+ 0 0 28 -4,-2.0 4,-1.6 -5,-0.3 3,-0.3 0.942 111.1 45.7 -63.3 -46.9 54.5 33.4 89.4 84 84 A L H X S+ 0 0 37 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.875 109.8 55.4 -64.0 -38.0 52.9 31.8 92.5 85 85 A C H < S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 110.2 46.2 -65.7 -28.4 54.9 28.6 92.0 86 86 A R H < S+ 0 0 174 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.789 120.5 38.5 -83.2 -28.5 58.1 30.7 92.0 87 87 A G H < S+ 0 0 55 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.671 113.0 49.6 -97.8 -17.1 57.2 32.7 95.0 88 88 A Y < - 0 0 104 -4,-2.4 -57,-0.1 -5,-0.1 3,-0.1 -0.932 65.2-138.2-126.6 147.9 55.4 30.3 97.4 89 89 A D S S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -58,-0.2 0.834 96.5 28.9 -68.3 -34.0 56.3 26.8 98.7 90 90 A V E - c 0 31A 3 -60,-1.7 -58,-2.4 -6,-0.1 2,-0.5 -0.995 62.7-169.9-134.4 129.7 52.7 25.6 98.2 91 91 A V E -ac 2 32A 1 -90,-2.7 -88,-3.2 -2,-0.4 2,-0.5 -0.978 11.8-164.4-119.0 117.2 50.1 26.8 95.7 92 92 A I E -ac 3 33A 0 -60,-2.8 -58,-1.8 -2,-0.5 2,-0.5 -0.905 2.6-158.1-108.0 123.5 46.6 25.5 96.3 93 93 A L E -ac 4 34A 0 -90,-3.5 -88,-3.6 -2,-0.5 2,-1.2 -0.858 14.0-143.4-104.2 130.9 44.0 25.6 93.5 94 94 A D E S-ac 5 35A 24 -60,-2.8 -58,-2.5 -2,-0.5 -88,-0.1 -0.786 86.1 -12.1 -91.0 95.4 40.2 25.6 94.2 95 95 A R S S+ 0 0 29 -90,-2.5 2,-0.2 -2,-1.2 -59,-0.1 0.407 79.0 170.5 82.8 138.8 39.3 23.5 91.1 96 96 A Y >> - 0 0 0 -92,-0.1 3,-1.4 -3,-0.1 4,-0.7 -0.673 54.6 -38.2-151.6-152.5 41.7 22.8 88.3 97 97 A V H >> S+ 0 0 0 1,-0.3 4,-1.3 -2,-0.2 3,-0.8 0.811 124.1 64.2 -55.0 -36.0 41.9 20.7 85.1 98 98 A A H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.814 92.4 65.6 -60.4 -29.5 40.2 17.6 86.6 99 99 A S H <> S+ 0 0 11 -3,-1.4 4,-2.4 1,-0.2 5,-0.3 0.915 102.1 47.9 -56.6 -44.0 37.0 19.7 87.0 100 100 A N H S+ 0 0 0 -4,-2.0 5,-3.1 -5,-0.3 3,-0.3 0.919 113.2 52.2 -62.2 -43.0 32.7 13.1 80.8 106 106 A A H ><5S+ 0 0 1 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.904 106.8 52.0 -60.3 -44.1 29.6 13.2 83.1 107 107 A R H 3<5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 114.0 44.6 -63.4 -28.2 27.6 15.3 80.6 108 108 A L T 3<5S- 0 0 54 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.351 111.9-119.3 -97.2 5.3 28.5 12.8 77.9 109 109 A H T < 5S+ 0 0 136 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.2 0.859 71.1 134.7 58.1 35.0 27.7 9.8 80.1 110 110 A E < - 0 0 58 -5,-3.1 2,-0.2 -6,-0.2 -1,-0.2 -0.532 49.3-124.2-103.6 175.0 31.3 8.7 79.7 111 111 A N > - 0 0 96 -2,-0.2 3,-3.1 -3,-0.1 6,-0.4 -0.663 35.6 -86.5-116.1 175.0 33.7 7.4 82.3 112 112 A A T 3 S+ 0 0 4 1,-0.3 55,-0.0 -2,-0.2 -7,-0.0 0.725 128.7 51.7 -51.3 -28.9 37.1 8.5 83.6 113 113 A A T 3 S+ 0 0 75 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.343 95.6 112.3 -92.3 7.1 38.8 6.3 80.9 114 114 A G S <> S- 0 0 15 -3,-3.1 4,-1.2 1,-0.1 5,-0.1 0.058 82.4 -97.1 -73.8-177.0 36.7 7.9 78.2 115 115 A K H > S+ 0 0 144 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 117.1 51.3 -66.8 -49.9 37.3 10.2 75.3 116 116 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 109.5 50.6 -59.1 -41.4 36.5 13.6 76.9 117 117 A A H > S+ 0 0 1 -6,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.857 112.9 46.4 -65.6 -35.5 38.7 12.9 79.9 118 118 A A H X S+ 0 0 40 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.901 110.8 53.1 -71.9 -41.7 41.6 12.0 77.6 119 119 A W H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.923 104.7 55.0 -58.7 -46.9 40.9 15.1 75.4 120 120 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.5 0.914 109.1 48.5 -54.1 -43.6 41.1 17.4 78.4 121 121 A Q H X>S+ 0 0 57 -4,-1.3 4,-1.1 1,-0.2 5,-0.9 0.922 111.0 48.9 -64.6 -44.6 44.5 16.0 79.3 122 122 A R H <>S+ 0 0 141 -4,-2.2 5,-1.3 3,-0.2 4,-0.3 0.861 118.8 39.6 -63.2 -37.7 45.9 16.5 75.7 123 123 A I H <>S+ 0 0 7 -4,-2.5 5,-1.9 3,-0.2 6,-0.3 0.954 119.6 36.9 -79.1 -54.4 44.6 20.0 75.5 124 124 A E H <5S+ 0 0 1 -4,-2.4 6,-2.4 -5,-0.3 5,-0.2 0.930 123.3 35.9 -70.2 -48.0 45.2 21.6 78.9 125 125 A F T <5S+ 0 0 24 -4,-1.1 4,-0.2 -5,-0.5 -3,-0.2 0.935 131.3 24.2 -74.6 -46.0 48.5 20.1 79.9 126 126 A A T - 0 0 68 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.349 27.8-115.5 -70.4 157.0 27.9 11.1 98.0 143 143 A A H > S+ 0 0 37 1,-0.2 4,-4.2 2,-0.2 5,-0.2 0.897 115.9 53.3 -60.3 -41.2 25.0 12.2 95.8 144 144 A E H > S+ 0 0 98 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.935 112.3 42.2 -61.0 -47.4 22.6 11.9 98.7 145 145 A L H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.893 119.3 45.7 -67.3 -38.4 24.7 14.1 101.0 146 146 A A H < S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.957 109.1 54.2 -67.6 -50.4 25.3 16.5 98.1 147 147 A G H < S+ 0 0 73 -4,-4.2 -1,-0.2 -5,-0.2 -2,-0.2 0.706 114.1 45.5 -56.5 -18.3 21.7 16.5 97.0 148 148 A E H < 0 0 83 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.891 360.0 360.0 -91.0 -48.8 21.0 17.5 100.6 149 149 A R < 0 0 139 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.1 0.007 360.0 360.0-101.6 360.0 23.5 20.2 101.2 150 ! 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 0.0 151 162 A R 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.2 20.9 28.2 89.8 152 163 A D > - 0 0 20 1,-0.1 4,-1.9 -98,-0.0 -99,-0.2 -0.147 360.0 -89.0 -76.7 176.8 22.8 27.5 86.6 153 164 A N H > S+ 0 0 87 -101,-3.2 4,-0.8 1,-0.2 -100,-0.1 0.850 125.1 45.4 -55.0 -41.2 22.3 24.6 84.2 154 165 A Y H 4 S+ 0 0 23 2,-0.2 3,-0.5 1,-0.2 7,-0.3 0.926 110.2 51.7 -71.9 -46.4 24.9 22.4 86.1 155 166 A E H 4 S+ 0 0 63 1,-0.2 -2,-0.2 5,-0.1 -1,-0.2 0.871 110.4 48.9 -58.6 -40.8 23.7 23.1 89.6 156 167 A R H < S+ 0 0 57 -4,-1.9 2,-1.3 1,-0.1 -1,-0.2 0.733 89.9 90.5 -73.0 -23.7 20.1 22.2 88.9 157 168 A D X + 0 0 68 -4,-0.8 4,-2.2 -3,-0.5 5,-0.2 -0.597 51.0 179.1 -80.3 90.7 21.0 18.9 87.1 158 169 A A H > S+ 0 0 79 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.882 81.7 52.8 -57.9 -42.6 20.9 16.3 89.9 159 170 A E H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 108.5 51.2 -60.9 -42.8 21.7 13.5 87.6 160 171 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 107.9 51.2 -60.9 -47.8 24.8 15.4 86.3 161 172 A Q H X S+ 0 0 26 -4,-2.2 4,-2.3 -7,-0.3 -1,-0.2 0.922 111.2 48.2 -57.6 -44.9 26.1 16.0 89.8 162 173 A Q H X S+ 0 0 124 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.942 113.6 46.2 -61.4 -47.4 25.8 12.4 90.7 163 174 A R H X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.854 110.8 53.7 -63.9 -34.4 27.6 11.3 87.5 164 175 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.907 107.5 50.5 -67.7 -39.4 30.3 13.9 88.0 165 176 A G H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 110.5 50.4 -63.1 -39.9 30.9 12.6 91.5 166 177 A A H X S+ 0 0 59 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.901 110.3 48.6 -65.1 -41.1 31.2 9.1 90.0 167 178 A V H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 3,-0.4 0.943 110.0 52.5 -65.0 -44.9 33.7 10.2 87.4 168 179 A Y H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 105.4 54.3 -54.2 -48.2 35.8 12.1 90.0 169 180 A A H X S+ 0 0 54 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.848 113.6 43.2 -57.1 -34.2 36.0 8.9 92.1 170 181 A E H X S+ 0 0 49 -4,-1.3 4,-2.4 -3,-0.4 -1,-0.2 0.843 108.1 56.3 -82.0 -34.5 37.4 7.1 89.1 171 182 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-0.4 0.938 111.3 47.3 -60.3 -42.4 39.7 9.8 88.0 172 183 A A H ><5S+ 0 0 12 -4,-2.6 3,-1.0 1,-0.2 8,-0.3 0.915 112.2 47.2 -64.0 -46.8 41.2 9.6 91.5 173 184 A A H 3<5S+ 0 0 89 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.849 114.3 47.7 -65.4 -33.9 41.5 5.8 91.5 174 185 A Q T 3<5S- 0 0 108 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.414 109.6-121.4 -88.9 2.3 43.1 5.7 88.1 175 186 A G T X 5 - 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0 0 0 -2,-0.3 133,-0.1 131,-0.2 3,-0.1 -0.782 54.0 -74.1 156.3 160.1 33.0 37.9 51.8 206 8 B V > - 0 0 14 131,-0.3 3,-1.4 -2,-0.2 5,-0.2 -0.099 67.7 -71.7 -69.6 173.4 32.1 34.2 51.5 207 9 B D T 3 S+ 0 0 30 1,-0.2 141,-0.2 2,-0.1 -1,-0.2 -0.481 121.2 21.1 -69.8 135.2 34.6 31.5 51.2 208 10 B G T 3 S+ 0 0 21 -2,-0.2 -1,-0.2 139,-0.1 139,-0.2 0.532 83.6 122.9 85.3 7.2 36.3 31.4 47.7 209 11 B A S < S- 0 0 3 -3,-1.4 -2,-0.1 130,-0.1 131,-0.1 0.710 81.8-114.4 -73.7 -19.0 35.4 35.0 47.0 210 12 B G > + 0 0 27 -4,-0.2 4,-1.6 134,-0.1 5,-0.2 0.813 58.1 156.7 88.9 34.6 39.1 35.9 46.5 211 13 B K H > + 0 0 18 -5,-0.2 4,-2.3 1,-0.2 5,-0.1 0.847 69.5 58.2 -60.7 -37.6 39.5 38.2 49.5 212 14 B R H > S+ 0 0 190 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 105.3 50.3 -58.7 -47.2 43.3 37.7 49.6 213 15 B T H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.0 48.4 -58.1 -44.2 43.7 38.9 46.0 214 16 B L H X S+ 0 0 9 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.866 106.6 57.1 -65.5 -37.5 41.6 42.1 46.8 215 17 B V H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.944 107.9 47.7 -58.5 -48.7 43.6 42.8 49.9 216 18 B E H X S+ 0 0 135 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.975 112.4 47.3 -56.0 -60.5 46.9 42.9 47.9 217 19 B K H X S+ 0 0 93 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.891 113.8 47.8 -49.0 -47.6 45.5 45.1 45.1 218 20 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.3 0.857 110.2 54.2 -64.8 -34.4 44.1 47.5 47.7 219 21 B S H X S+ 0 0 6 -4,-2.2 4,-2.2 -3,-0.4 -2,-0.2 0.974 111.2 42.5 -63.0 -56.9 47.3 47.5 49.6 220 22 B G H X S+ 0 0 39 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.937 112.7 53.6 -55.8 -49.7 49.5 48.5 46.6 221 23 B A H X S+ 0 0 18 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.880 109.9 48.7 -53.3 -41.8 47.0 51.1 45.4 222 24 B F H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 -1,-0.2 0.894 109.0 51.9 -66.5 -41.1 47.0 52.7 48.9 223 25 B R H ><5S+ 0 0 143 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.781 105.9 56.8 -66.5 -26.1 50.8 52.8 49.0 224 26 B A H 3<5S+ 0 0 88 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.927 100.1 56.5 -69.6 -45.3 50.8 54.5 45.6 225 27 B A T 3<5S- 0 0 57 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.387 129.3 -99.5 -67.8 5.6 48.7 57.3 46.9 226 28 B G T < 5S+ 0 0 64 -3,-0.9 2,-0.4 1,-0.3 -3,-0.2 0.685 82.6 128.1 85.3 19.6 51.4 57.8 49.5 227 29 B R < - 0 0 65 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.3 -0.886 55.1-128.0-112.4 141.4 49.8 56.0 52.4 228 30 B S - 0 0 44 -2,-0.4 60,-3.0 -5,-0.0 2,-0.4 -0.646 29.7-167.4 -85.3 141.7 51.4 53.2 54.6 229 31 B V E -g 288 0B 3 -2,-0.3 2,-0.4 58,-0.2 60,-0.2 -0.983 16.7-172.3-137.2 144.5 49.4 50.0 55.0 230 32 B A E -g 289 0B 11 58,-1.9 60,-2.7 -2,-0.4 2,-0.4 -0.971 14.2-151.8-129.2 143.5 49.5 46.9 57.1 231 33 B T E +g 290 0B 73 -2,-0.4 2,-0.4 58,-0.2 60,-0.2 -0.941 12.9 178.8-122.3 143.0 47.3 43.8 56.7 232 34 B L E -g 291 0B 38 58,-2.0 60,-1.7 -2,-0.4 2,-0.3 -0.993 13.9-151.0-141.3 130.4 46.1 41.2 59.2 233 35 B A E -g 292 0B 49 -2,-0.4 60,-0.2 58,-0.2 61,-0.1 -0.789 20.0-111.0-106.9 147.6 43.9 38.2 58.5 234 36 B F S S+ 0 0 10 58,-2.4 2,-0.1 -2,-0.3 34,-0.0 -0.950 94.3 46.8-121.1 143.0 41.4 36.5 60.8 235 37 B P S S- 0 0 20 0, 0.0 2,-2.2 0, 0.0 -2,-0.1 0.520 85.0-139.1 -71.2 150.4 41.3 33.9 62.1 236 38 B R >> - 0 0 32 -2,-0.1 3,-2.3 2,-0.1 4,-0.9 -0.466 23.2-162.3 -79.1 72.3 44.9 34.3 63.2 237 39 B Y T 34 S+ 0 0 126 -2,-2.2 4,-0.1 1,-0.3 -4,-0.1 -0.340 74.7 13.1 -58.2 129.0 46.0 30.8 62.6 238 40 B G T 34 S+ 0 0 52 2,-0.5 -1,-0.3 -2,-0.1 3,-0.1 0.319 120.0 69.6 87.7 -8.8 49.2 30.0 64.4 239 41 B Q T <4 S+ 0 0 151 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.446 100.1 40.5-116.9 -5.7 49.0 33.1 66.6 240 42 B S X - 0 0 18 -4,-0.9 4,-2.2 1,-0.1 -2,-0.5 -0.989 57.9-150.3-148.3 133.9 46.0 32.1 68.7 241 43 B V H > S+ 0 0 55 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.881 104.8 58.3 -68.1 -36.0 44.9 28.9 70.4 242 44 B A H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 108.9 45.4 -58.7 -40.8 41.3 30.0 70.0 243 45 B A H > S+ 0 0 0 -7,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.925 112.4 49.3 -69.2 -46.5 41.9 30.2 66.2 244 46 B D H X S+ 0 0 45 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.884 112.6 47.5 -63.1 -39.5 43.7 26.9 66.0 245 47 B I H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 111.2 52.1 -68.9 -37.5 41.0 25.1 67.9 246 48 B A H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.927 110.8 47.7 -63.0 -44.5 38.3 26.7 65.8 247 49 B A H < S+ 0 0 20 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.900 113.1 46.8 -63.0 -44.2 40.0 25.6 62.6 248 50 B E H ><>S+ 0 0 49 -4,-2.1 5,-2.1 1,-0.2 3,-1.0 0.877 110.0 54.7 -66.7 -36.1 40.4 22.0 63.8 249 51 B A H ><5S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.865 100.3 59.4 -64.5 -36.8 36.8 22.0 65.0 250 52 B L T 3<5S+ 0 0 8 -4,-1.8 109,-2.9 1,-0.3 -1,-0.3 0.687 104.8 52.8 -65.8 -16.5 35.7 23.0 61.5 251 53 B H T < 5S- 0 0 102 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.187 130.8 -90.4-103.2 14.9 37.4 19.8 60.3 252 54 B G T < 5S+ 0 0 54 -3,-1.9 3,-0.3 1,-0.3 -3,-0.2 0.450 85.1 126.1 95.9 -0.6 35.5 17.5 62.7 253 55 B E < + 0 0 110 -5,-2.1 5,-0.4 1,-0.2 -1,-0.3 -0.357 51.4 44.1 -86.7 171.5 37.9 17.6 65.7 254 56 B H S > S- 0 0 16 3,-0.1 3,-2.0 2,-0.1 -1,-0.2 0.869 100.7-106.3 63.7 43.5 37.0 18.4 69.3 255 57 B G T 3 S- 0 0 52 -3,-0.3 3,-0.4 1,-0.2 4,-0.1 -0.127 90.4 -4.2 48.2-123.1 33.7 16.5 69.5 256 58 B D T >> S+ 0 0 42 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.278 98.4 110.2 -87.2 11.7 30.6 18.5 69.5 257 59 B L G X4 S+ 0 0 1 -3,-2.0 3,-1.6 1,-0.3 7,-0.2 0.926 78.0 47.8 -51.4 -54.3 32.3 21.9 69.5 258 60 B A G 34 S+ 0 0 16 -3,-0.4 -1,-0.3 -5,-0.4 -2,-0.1 0.614 95.9 74.4 -65.5 -14.1 31.4 22.9 65.9 259 61 B S G <4 S+ 0 0 76 -3,-1.2 2,-0.6 -4,-0.1 -1,-0.3 0.691 83.7 77.4 -73.5 -18.7 27.7 21.9 66.5 260 62 B S S+ 0 0 8 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.937 93.4 45.1 -63.3 -47.5 26.8 28.2 66.4 262 64 B Y H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.826 108.0 57.7 -68.1 -31.3 27.5 30.5 69.4 263 65 B A H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.943 110.0 44.3 -64.1 -45.7 30.5 28.4 70.6 264 66 B M H X S+ 0 0 1 -4,-1.9 4,-2.0 -7,-0.2 5,-0.2 0.911 113.5 49.9 -65.6 -41.3 32.2 28.9 67.2 265 67 B A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.932 109.2 53.7 -61.7 -43.7 31.3 32.6 67.1 266 68 B T H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.903 106.7 50.6 -58.1 -43.4 32.7 32.9 70.7 267 69 B L H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.927 112.8 45.4 -61.6 -45.6 36.1 31.4 69.7 268 70 B F H X S+ 0 0 23 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.868 113.7 51.2 -65.0 -35.3 36.5 33.7 66.7 269 71 B A H X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.870 110.3 48.2 -68.6 -38.0 35.4 36.6 69.0 270 72 B L H X S+ 0 0 22 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.852 107.3 56.9 -70.7 -34.2 38.0 35.5 71.6 271 73 B D H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.941 110.4 43.5 -60.9 -46.9 40.6 35.3 68.9 272 74 B R H >< S+ 0 0 7 -4,-1.9 3,-2.3 1,-0.2 4,-0.5 0.889 107.8 59.2 -66.2 -39.1 40.0 38.9 67.9 273 75 B A H >< S+ 0 0 25 -4,-2.1 3,-1.5 1,-0.3 4,-0.3 0.917 102.1 53.7 -56.2 -43.6 39.9 40.0 71.6 274 76 B G T 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.379 108.5 53.5 -72.7 8.0 43.4 38.8 72.0 275 77 B A T <> S+ 0 0 0 -3,-2.3 4,-2.6 2,-0.1 -1,-0.3 0.412 74.3 101.0-118.6 -4.8 44.3 41.0 69.0 276 78 B V H <> S+ 0 0 20 -3,-1.5 4,-2.2 -4,-0.5 5,-0.2 0.858 88.3 43.7 -49.0 -42.9 42.9 44.3 70.3 277 79 B H H > S+ 0 0 156 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.839 112.0 52.6 -74.6 -33.7 46.4 45.5 71.2 278 80 B T H > S+ 0 0 70 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.860 112.5 45.8 -69.5 -35.8 47.9 44.2 68.0 279 81 B I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.966 111.0 50.2 -70.6 -54.5 45.3 46.1 65.9 280 82 B Q H < S+ 0 0 104 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.904 110.5 53.7 -49.3 -43.4 45.6 49.3 67.9 281 83 B G H >X S+ 0 0 41 -4,-2.0 3,-1.9 1,-0.2 4,-1.6 0.950 108.4 47.0 -56.9 -52.5 49.3 49.1 67.4 282 84 B L H 3X S+ 0 0 33 -4,-2.0 4,-1.3 1,-0.3 -2,-0.2 0.909 105.7 58.7 -56.5 -44.6 49.0 48.7 63.6 283 85 B C H 3< S+ 0 0 57 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.596 109.8 48.5 -61.9 -7.8 46.5 51.7 63.5 284 86 B R H <4 S+ 0 0 86 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.777 113.9 40.4-100.5 -36.5 49.5 53.5 65.1 285 87 B G H < S+ 0 0 53 -4,-1.6 2,-0.3 -3,-0.2 -2,-0.2 0.395 116.8 45.8 -95.5 2.8 52.3 52.5 62.8 286 88 B Y < - 0 0 104 -4,-1.3 -57,-0.1 -5,-0.2 3,-0.1 -0.999 68.5-135.2-146.6 146.9 50.4 52.7 59.5 287 89 B D S S+ 0 0 89 -2,-0.3 2,-0.4 -59,-0.2 -58,-0.2 0.890 96.8 28.7 -65.6 -40.2 48.0 55.1 57.8 288 90 B V E - g 0 229B 0 -60,-3.0 -58,-1.9 -3,-0.1 2,-0.5 -0.983 64.1-162.6-130.6 134.6 45.7 52.3 56.7 289 91 B V E -eg 200 230B 1 -90,-3.0 -88,-3.5 -2,-0.4 2,-0.5 -0.959 10.3-163.8-115.2 119.8 45.0 48.9 58.3 290 92 B I E -eg 201 231B 0 -60,-2.7 -58,-2.0 -2,-0.5 2,-0.5 -0.914 2.9-162.8-108.4 123.2 43.4 46.3 56.1 291 93 B L E -eg 202 232B 0 -90,-3.1 -88,-3.4 -2,-0.5 2,-1.2 -0.903 16.6-143.5-109.4 127.4 41.8 43.2 57.7 292 94 B D E S-eg 203 233B 24 -60,-1.7 -58,-2.4 -2,-0.5 -88,-0.1 -0.763 85.4 -11.4 -86.8 95.7 40.9 40.0 55.8 293 95 B R S S+ 0 0 31 -90,-2.4 2,-0.2 -2,-1.2 -59,-0.1 0.413 77.0 169.8 83.3 139.0 37.7 39.2 57.6 294 96 B Y >> - 0 0 0 -92,-0.1 3,-1.1 -3,-0.1 4,-0.8 -0.622 55.5 -38.4-151.3-149.4 36.5 40.9 60.8 295 97 B V H >> S+ 0 0 0 1,-0.3 4,-1.7 -2,-0.2 3,-0.7 0.839 125.8 62.5 -57.9 -38.2 33.5 41.2 63.1 296 98 B A H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.824 95.1 62.7 -59.5 -30.5 31.0 41.2 60.2 297 99 B S H <> S+ 0 0 9 -3,-1.1 4,-2.4 1,-0.2 5,-0.3 0.912 103.9 48.4 -60.1 -41.2 32.2 37.7 59.3 298 100 B N H S+ 0 0 0 -4,-2.2 5,-3.2 -5,-0.3 4,-0.5 0.923 114.6 51.8 -59.8 -45.0 23.0 34.2 61.4 304 106 B A H ><5S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.3 -2,-0.2 0.907 106.5 52.5 -60.0 -44.0 23.4 32.1 58.3 305 107 B R H 3<5S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 113.8 44.5 -63.8 -27.2 24.0 28.9 60.3 306 108 B L T 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.404 113.2-116.5 -96.2 2.2 20.8 29.7 62.3 307 109 B H T < 5S+ 0 0 136 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.884 73.5 133.5 61.9 38.0 18.7 30.5 59.2 308 110 B E < - 0 0 59 -5,-3.2 -1,-0.2 -6,-0.1 2,-0.2 -0.703 45.8-141.6-111.1 166.2 18.4 34.1 60.6 309 111 B N > - 0 0 76 -2,-0.2 3,-2.4 -3,-0.1 6,-0.4 -0.469 46.3 -71.8-114.8-169.9 18.8 37.4 58.8 310 112 B A T 3 S+ 0 0 10 1,-0.3 63,-0.0 -2,-0.2 -10,-0.0 0.672 131.1 58.8 -59.5 -16.0 20.4 40.7 59.8 311 113 B A T 3 S+ 0 0 92 4,-0.1 -1,-0.3 5,-0.0 2,-0.0 0.393 88.4 104.8 -94.8 3.0 17.3 41.3 62.1 312 114 B G S <> S- 0 0 17 -3,-2.4 4,-1.3 1,-0.1 5,-0.1 -0.239 83.8-106.0 -82.2 171.7 17.9 38.1 64.1 313 115 B K H > S+ 0 0 159 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.863 112.2 59.9 -63.1 -40.8 19.3 37.6 67.6 314 116 B A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 104.9 46.6 -56.2 -51.8 22.7 36.3 66.5 315 117 B A H > S+ 0 0 0 -6,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.891 115.1 47.4 -59.9 -39.9 23.7 39.4 64.5 316 118 B A H X S+ 0 0 45 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.866 111.1 53.1 -69.0 -34.9 22.6 41.6 67.4 317 119 B W H X S+ 0 0 10 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.937 106.1 50.8 -64.6 -48.5 24.5 39.3 69.8 318 120 B V H X>S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.6 0.859 108.8 55.4 -57.8 -34.7 27.8 39.6 67.8 319 121 B Q H X>S+ 0 0 49 -4,-1.5 4,-1.7 -5,-0.2 5,-1.4 0.973 110.7 41.4 -61.5 -57.6 27.3 43.4 68.0 320 122 B R H <>S+ 0 0 131 -4,-2.1 5,-2.0 3,-0.2 4,-0.5 0.944 119.2 43.9 -56.6 -54.4 27.1 43.6 71.8 321 123 B I H <>S+ 0 0 10 -4,-2.5 5,-2.6 3,-0.2 4,-0.2 0.936 121.6 33.2 -60.5 -54.0 29.8 41.1 72.5 322 124 B E H <5S+ 0 0 0 -4,-2.0 6,-2.6 -5,-0.3 -3,-0.2 0.949 134.0 22.5 -73.0 -49.0 32.5 42.2 70.1 323 125 B F T < - 0 0 61 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.431 34.2-141.6 -63.3 130.9 28.9 34.5 42.2 341 143 B A H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.867 102.3 51.2 -62.9 -37.4 28.0 31.7 44.7 342 144 B E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 112.8 44.7 -65.1 -46.6 28.7 29.1 42.0 343 145 B L H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 112.6 50.9 -66.0 -41.5 32.1 30.5 41.2 344 146 B A H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.917 110.8 49.4 -63.2 -42.6 33.1 30.9 44.9 345 147 B G H X S+ 0 0 30 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.865 109.5 51.9 -64.6 -36.7 32.1 27.3 45.6 346 148 B E H X S+ 0 0 109 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.899 107.4 52.8 -66.1 -41.9 34.1 26.1 42.7 347 149 B R H X S+ 0 0 111 -4,-2.1 4,-4.2 2,-0.2 -2,-0.2 0.962 109.9 47.4 -57.4 -54.6 37.2 27.9 43.9 348 150 B S H < S+ 0 0 9 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.921 113.9 47.6 -53.3 -49.2 37.0 26.4 47.4 349 151 B R H >X S+ 0 0 111 -4,-2.2 4,-2.7 1,-0.2 3,-0.8 0.927 119.7 39.4 -59.2 -46.6 36.5 22.9 45.9 350 152 B G H 3X S+ 0 0 32 -4,-3.0 4,-1.1 1,-0.2 2,-0.7 0.959 108.9 58.0 -68.8 -53.0 39.4 23.4 43.5 351 153 B R H 3< S+ 0 0 95 -4,-4.2 -1,-0.2 -5,-0.2 -2,-0.1 0.135 122.4 28.4 -67.1 24.8 41.8 25.3 45.8 352 154 B A H <4 S+ 0 0 31 -3,-0.8 -1,-0.2 -2,-0.7 -2,-0.2 0.411 105.1 66.3-149.0 -43.7 41.6 22.3 48.1 353 155 B Q H < 0 0 89 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.668 360.0 360.0 -62.0 -14.0 40.9 19.1 46.1 354 156 B R < 0 0 128 -4,-1.1 -1,-0.3 -5,-0.2 -3,-0.1 0.127 360.0 360.0-109.1 360.0 44.3 19.8 44.7 355 ! 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 0.0 356 161 B A 0 0 106 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 167.7 40.6 19.7 52.5 357 162 B R - 0 0 89 -8,-0.1 2,-0.0 4,-0.1 -8,-0.0 -0.536 360.0-140.8 -73.7 132.7 37.3 21.5 52.7 358 163 B D > - 0 0 20 -2,-0.3 4,-2.0 1,-0.1 -107,-0.2 -0.234 34.1 -87.5 -82.7 179.6 36.0 22.2 56.2 359 164 B N T 4 S+ 0 0 86 -109,-2.9 4,-0.2 1,-0.2 -108,-0.1 0.764 126.9 47.5 -60.7 -30.2 32.4 22.0 57.3 360 165 B Y T >4 S+ 0 0 26 2,-0.2 3,-1.0 1,-0.1 7,-0.2 0.897 111.4 50.6 -78.1 -41.4 31.5 25.6 56.4 361 166 B E T 34 S+ 0 0 48 1,-0.2 -2,-0.2 5,-0.1 -1,-0.1 0.836 108.6 51.2 -63.7 -36.8 33.1 25.3 52.9 362 167 B R T 3< S+ 0 0 56 -4,-2.0 2,-1.1 1,-0.1 -1,-0.2 0.481 89.9 88.9 -81.7 -2.3 31.3 22.1 52.0 363 168 B D <> + 0 0 69 -3,-1.0 4,-2.1 1,-0.2 5,-0.2 -0.730 53.2 179.0-100.2 87.0 27.9 23.6 53.0 364 169 B A H > S+ 0 0 78 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.836 80.8 50.0 -55.3 -39.6 26.7 25.3 49.7 365 170 B E H > S+ 0 0 138 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 108.3 53.2 -69.6 -37.3 23.4 26.5 51.2 366 171 B L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.928 108.4 50.6 -61.0 -45.5 25.2 28.0 54.2 367 172 B Q H X S+ 0 0 23 -4,-2.1 4,-1.9 -7,-0.2 -1,-0.2 0.868 110.2 49.5 -60.9 -39.3 27.5 29.9 51.8 368 173 B Q H X S+ 0 0 107 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.944 112.9 46.0 -66.0 -47.7 24.6 31.3 49.9 369 174 B R H X S+ 0 0 52 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.878 110.5 54.1 -62.7 -38.3 22.8 32.4 53.0 370 175 B T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 107.6 50.6 -63.0 -39.0 26.0 33.9 54.3 371 176 B G H X S+ 0 0 28 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.903 111.6 48.4 -65.1 -38.7 26.3 35.9 51.1 372 177 B A H X S+ 0 0 50 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.895 110.3 49.7 -68.7 -41.8 22.7 37.1 51.5 373 178 B V H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.929 107.7 55.5 -63.3 -43.1 23.1 38.1 55.1 374 179 B Y H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.917 104.8 52.8 -53.3 -47.2 26.3 40.1 54.2 375 180 B A H X S+ 0 0 53 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.897 109.9 48.5 -57.8 -41.1 24.2 42.0 51.6 376 181 B E H X S+ 0 0 80 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.914 110.9 50.5 -65.3 -43.4 21.7 42.9 54.3 377 182 B L H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.6 0.931 114.2 43.7 -60.3 -46.8 24.5 44.0 56.7 378 183 B A H ><5S+ 0 0 13 -4,-2.9 3,-1.0 1,-0.2 8,-0.4 0.927 112.3 53.8 -64.7 -43.8 26.1 46.2 54.1 379 184 B A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.822 114.7 39.9 -61.1 -33.8 22.7 47.6 53.0 380 185 B Q H 3<5S- 0 0 112 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.416 111.1-116.1 -97.6 2.1 21.8 48.7 56.5 381 186 B G T X<5 - 0 0 32 -3,-1.0 3,-1.6 -4,-0.6 2,-0.3 0.912 39.0-167.0 65.8 43.5 25.2 49.9 57.5 382 187 B W T 3 - 0 0 25 -2,-0.3 3,-1.1 -53,-0.2 -51,-0.1 -0.447 35.0 -98.6-103.5-180.0 33.1 43.0 42.5 391 196 B A T 3 S+ 0 0 64 -53,-0.3 -52,-0.1 1,-0.2 -1,-0.0 0.791 121.0 52.0 -69.6 -30.1 36.1 40.9 41.5 392 197 B D T 3 S+ 0 0 153 2,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.250 79.4 141.9 -91.8 13.1 37.0 43.1 38.6 393 198 B V < - 0 0 30 -3,-1.1 -4,-0.0 1,-0.1 0, 0.0 -0.233 59.4-111.3 -56.5 140.1 37.0 46.3 40.7 394 199 B D > - 0 0 103 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.661 22.2-150.0 -79.1 115.9 39.7 48.8 39.8 395 200 B P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.927 92.5 48.7 -47.7 -62.0 42.3 49.0 42.7 396 201 B G H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 113.1 47.9 -50.2 -44.3 43.4 52.6 42.3 397 202 B R H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.889 109.4 53.1 -66.3 -40.3 39.8 53.8 42.1 398 203 B L H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.914 108.6 50.2 -61.6 -43.4 38.8 51.8 45.2 399 204 B A H X S+ 0 0 2 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.936 109.2 49.9 -60.5 -48.9 41.6 53.3 47.2 400 205 B A H < S+ 0 0 71 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.864 112.3 50.5 -58.6 -35.7 40.7 56.9 46.2 401 206 B T H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.944 114.4 41.5 -67.0 -49.8 37.1 56.1 47.2 402 207 B L H < 0 0 7 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.942 360.0 360.0 -64.6 -50.5 38.1 54.7 50.7 403 208 B A < 0 0 60 -4,-3.4 -3,-0.2 -5,-0.2 -4,-0.1 0.770 360.0 360.0-110.6 360.0 40.7 57.3 51.5