==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/RNA 13-JUL-04 1U0B . COMPND 2 MOLECULE: CYSTEINYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HAUENSTEIN,C.M.ZHANG,Y.M.HOU,J.J.PERONA . 461 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 2 1 1 0 1 0 2 1 2 2 0 0 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 1 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 PARALLEL BRIDGES PER LADDER . 3 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 4 0 0 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 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 B M 0 0 130 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.9 90.4 38.4 -9.5 2 2 B L - 0 0 8 13,-0.1 13,-2.6 346,-0.1 2,-0.4 -0.510 360.0-172.2 -70.3 129.6 88.3 35.5 -8.2 3 3 B K E -Ab 14 348A 85 344,-3.1 346,-1.1 11,-0.3 2,-0.4 -0.990 5.8-157.9-127.3 122.5 88.0 35.5 -4.4 4 4 B I E -A 13 0A 0 9,-2.4 9,-3.0 -2,-0.4 2,-0.4 -0.846 22.2-119.9-104.7 135.6 86.4 32.6 -2.6 5 5 B F E -A 12 0A 43 -2,-0.4 2,-0.6 7,-0.3 7,-0.3 -0.587 31.8-153.2 -70.3 122.3 85.0 32.7 0.9 6 6 B N E >>> -A 11 0A 4 5,-2.7 4,-1.8 -2,-0.4 3,-1.5 -0.901 12.8-154.7-105.7 116.3 87.0 30.2 2.9 7 7 B T T 345S+ 0 0 19 247,-2.3 -1,-0.1 -2,-0.6 248,-0.1 0.829 91.6 68.0 -55.1 -33.4 85.2 28.6 5.9 8 8 B L T 345S+ 0 0 67 1,-0.2 -1,-0.3 246,-0.1 245,-0.1 0.786 117.9 19.7 -58.0 -30.9 88.6 28.0 7.5 9 9 B T T <45S- 0 0 55 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.460 100.1-123.5-118.3 -7.5 89.3 31.7 8.0 10 10 B R T <5S+ 0 0 209 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.907 77.8 89.0 61.4 45.0 85.7 33.1 7.8 11 11 B Q E S-C 22 0B 117 3,-0.5 3,-2.5 0, 0.0 -1,-0.2 -0.985 106.1 -95.9-124.5 128.2 99.1 24.0 -9.9 20 20 B A T 3 S- 0 0 95 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.044 105.0 -0.4 -43.1 127.2 98.9 26.8 -12.4 21 21 B G T 3 S+ 0 0 40 1,-0.2 39,-2.5 38,-0.1 2,-0.4 0.577 111.8 104.1 68.0 12.2 95.7 26.7 -14.5 22 22 B E E < -Cd 19 60B 104 -3,-2.5 -3,-0.5 37,-0.2 2,-0.4 -0.957 45.7-170.9-128.8 147.4 94.4 23.6 -12.8 23 23 B V E - d 0 61B 6 37,-2.3 39,-2.9 -2,-0.4 2,-0.5 -0.996 8.5-167.0-142.3 133.5 91.7 23.0 -10.2 24 24 B G E + d 0 62B 8 -2,-0.4 199,-2.7 37,-0.2 2,-0.4 -0.973 18.5 177.3-116.5 126.7 90.6 19.9 -8.2 25 25 B M E -ed 223 63B 0 37,-2.5 39,-3.1 -2,-0.5 2,-0.4 -0.994 11.1-171.6-136.5 140.4 87.3 20.2 -6.4 26 26 B Y E -ed 224 64B 0 197,-2.3 199,-2.9 -2,-0.4 2,-0.4 -0.994 2.6-178.4-133.5 133.6 85.4 17.7 -4.3 27 27 B V E -ed 225 65B 0 37,-2.2 39,-0.7 -2,-0.4 199,-0.2 -0.999 32.6-112.8-132.9 134.9 81.9 18.0 -3.0 28 28 B C - 0 0 7 197,-1.3 2,-0.1 -2,-0.4 199,-0.1 -0.349 35.6-148.7 -63.5 141.5 80.1 15.5 -0.8 29 29 B G - 0 0 18 1,-0.1 38,-0.2 197,-0.1 2,-0.2 -0.263 17.8 -87.4-101.2-169.3 77.2 13.8 -2.5 30 30 B I - 0 0 17 36,-0.3 38,-2.1 -2,-0.1 2,-0.5 -0.495 33.0-106.4-100.5 168.9 73.9 12.4 -1.3 31 31 B T B -h 68 0C 38 36,-0.2 2,-1.3 -2,-0.2 3,-0.4 -0.835 29.6-138.0 -93.4 128.5 72.8 9.0 0.0 32 32 B V S S+ 0 0 1 36,-1.8 60,-0.3 -2,-0.5 61,-0.2 -0.447 71.2 107.4 -89.7 63.2 70.7 7.2 -2.6 33 33 B Y S S+ 0 0 59 -2,-1.3 2,-0.3 59,-0.1 -1,-0.2 0.328 88.6 0.3-115.7 1.6 67.9 5.7 -0.5 34 34 B D S S- 0 0 50 -3,-0.4 2,-0.3 55,-0.1 -1,-0.1 -0.948 93.6 -56.7-168.5-175.7 65.3 8.1 -1.8 35 35 B L - 0 0 53 -2,-0.3 2,-0.1 1,-0.1 61,-0.1 -0.604 55.5-111.9 -81.5 141.7 64.5 11.0 -4.1 36 36 B C - 0 0 5 -2,-0.3 241,-2.1 59,-0.1 242,-0.5 -0.371 33.6-145.9 -71.0 147.8 66.5 14.3 -3.7 37 37 B H B > -I 276 0D 22 239,-0.3 4,-1.9 240,-0.1 3,-0.5 -0.385 33.1 -83.2-105.8-173.7 64.6 17.3 -2.4 38 38 B I H > S+ 0 0 2 237,-2.3 4,-2.2 1,-0.2 5,-0.1 0.853 124.8 57.3 -57.0 -41.9 64.8 21.1 -2.9 39 39 B G H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 105.9 49.1 -60.8 -36.0 67.7 21.5 -0.5 40 40 B H H > S+ 0 0 53 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.939 108.4 55.3 -67.9 -45.0 69.8 19.1 -2.4 41 41 B G H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 5,-0.2 0.908 107.1 48.8 -52.5 -50.1 69.0 21.0 -5.6 42 42 B R H >X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 3,-0.7 0.977 112.9 46.9 -55.5 -58.6 70.2 24.3 -4.2 43 43 B T H 3X S+ 0 0 16 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.882 116.5 42.4 -56.0 -42.6 73.5 22.8 -2.9 44 44 B F H 3X S+ 0 0 8 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.702 113.4 53.0 -81.7 -13.2 74.4 20.9 -6.1 45 45 B V H S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 4,-0.3 0.865 110.9 44.6 -65.9 -38.6 85.9 27.9 -13.2 55 55 B R H ><5S+ 0 0 97 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.856 108.8 58.3 -74.6 -31.5 85.8 26.4 -16.6 56 56 B F H 3<5S+ 0 0 59 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.879 101.7 54.7 -62.4 -38.2 84.6 29.7 -18.0 57 57 B L T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.575 126.2-101.4 -72.2 -11.1 87.7 31.4 -16.6 58 58 B G T < 5S+ 0 0 65 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.472 71.6 144.8 106.8 -1.1 89.9 28.9 -18.5 59 59 B Y < - 0 0 49 -5,-1.8 2,-0.9 1,-0.1 -1,-0.3 -0.408 52.3-127.6 -71.6 147.6 90.9 26.5 -15.7 60 60 B K E -d 22 0B 64 -39,-2.5 -37,-2.3 -2,-0.1 2,-0.4 -0.863 42.1-168.8 -93.6 106.3 91.3 22.7 -16.4 61 61 B L E -d 23 0B 9 -2,-0.9 2,-0.6 -39,-0.2 -37,-0.2 -0.791 26.9-161.3-107.2 144.0 89.1 21.4 -13.6 62 62 B K E -d 24 0B 71 -39,-2.9 -37,-2.5 -2,-0.4 2,-0.6 -0.965 17.8-167.3-119.5 110.0 88.5 18.0 -12.2 63 63 B Y E -d 25 0B 6 -2,-0.6 47,-1.6 -39,-0.2 46,-1.0 -0.888 4.2-173.2-104.6 118.8 85.2 17.9 -10.3 64 64 B V E +df 26 110B 0 -39,-3.1 -37,-2.2 -2,-0.6 2,-0.4 -0.945 10.7 169.4-118.2 125.4 84.6 15.0 -8.1 65 65 B R E -d 27 0B 2 45,-2.3 -37,-0.2 -2,-0.5 -39,-0.0 -0.980 22.3-147.4-136.1 118.4 81.3 14.3 -6.3 66 66 B N - 0 0 1 -39,-0.7 2,-0.4 -2,-0.4 -36,-0.3 -0.195 5.4-132.0 -81.5 173.7 80.7 11.0 -4.7 67 67 B I B -j 113 0E 6 45,-2.4 47,-2.0 -38,-0.2 2,-0.9 -0.995 15.9-133.2-129.7 122.1 77.7 8.8 -4.1 68 68 B T B +h 31 0C 19 -38,-2.1 -36,-1.8 -2,-0.4 3,-0.1 -0.714 30.8 173.8 -80.9 109.8 76.9 7.3 -0.7 69 69 B D + 0 0 0 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.633 60.4 25.4 -90.0 -26.7 76.1 3.8 -1.7 70 70 B I + 0 0 9 134,-0.1 134,-0.3 4,-0.0 2,-0.3 -0.942 67.9 118.3-151.3 129.3 75.8 2.2 1.7 71 71 B D S > S- 0 0 17 -2,-0.3 4,-2.1 -3,-0.1 3,-0.2 -0.914 74.0 -73.8-166.4 179.7 74.9 3.5 5.2 72 72 B D H > S+ 0 0 59 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.828 126.4 54.8 -56.3 -39.5 72.1 2.9 7.8 73 73 B K H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 110.1 45.8 -62.6 -44.9 69.5 4.8 5.8 74 74 B I H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 113.3 50.3 -65.6 -39.2 70.0 2.7 2.7 75 75 B I H X S+ 0 0 19 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.875 113.3 44.6 -67.7 -40.0 70.0 -0.5 4.8 76 76 B K H X S+ 0 0 55 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 115.5 46.2 -71.8 -44.4 66.8 0.3 6.6 77 77 B R H X S+ 0 0 65 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.780 109.5 56.5 -70.1 -26.6 64.9 1.5 3.4 78 78 B A H X>S+ 0 0 4 -4,-1.6 4,-1.9 -5,-0.2 5,-1.6 0.938 108.4 46.2 -69.4 -45.9 66.1 -1.5 1.5 79 79 B N H <5S+ 0 0 131 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.933 112.1 52.1 -60.4 -46.0 64.6 -3.8 4.1 80 80 B E H <5S+ 0 0 138 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.970 110.4 46.0 -53.2 -60.6 61.4 -1.8 4.1 81 81 B N H <5S- 0 0 77 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.815 109.7-127.8 -52.0 -34.1 61.0 -2.0 0.3 82 82 B G T <5S+ 0 0 67 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.715 70.7 102.9 89.3 25.6 61.8 -5.7 0.5 83 83 B E S - 0 0 74 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.445 34.6-128.6 -69.7 142.8 68.4 -5.8 -2.1 85 85 B F H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.739 107.0 67.5 -62.5 -23.4 70.0 -2.4 -1.5 86 86 B V H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.955 104.2 39.5 -62.5 -50.3 72.0 -3.1 -4.7 87 87 B A H > S+ 0 0 45 -3,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.878 117.5 51.7 -66.5 -38.7 68.9 -2.8 -7.0 88 88 B M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.947 107.9 48.8 -64.5 -51.3 67.6 0.0 -4.9 89 89 B V H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.861 109.3 53.8 -58.8 -36.8 70.7 2.2 -5.1 90 90 B D H X S+ 0 0 74 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.896 110.9 46.5 -64.3 -40.8 71.0 1.7 -8.8 91 91 B R H X S+ 0 0 103 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.906 114.8 46.3 -66.8 -45.1 67.4 3.0 -9.3 92 92 B M H X S+ 0 0 16 -4,-2.5 4,-3.4 -60,-0.3 -2,-0.2 0.926 108.8 54.2 -65.7 -43.8 67.9 5.9 -7.0 93 93 B I H X S+ 0 0 16 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.915 112.9 45.0 -54.4 -41.8 71.2 6.8 -8.6 94 94 B A H X S+ 0 0 58 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.870 112.0 51.3 -69.5 -38.3 69.2 6.9 -11.9 95 95 B E H X S+ 0 0 11 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.856 109.9 52.2 -66.6 -33.5 66.5 8.8 -10.1 96 96 B M H X S+ 0 0 5 -4,-3.4 4,-2.4 2,-0.2 5,-0.2 0.940 108.0 48.1 -68.3 -48.3 69.1 11.3 -8.9 97 97 B H H X S+ 0 0 31 -4,-2.3 4,-3.4 1,-0.2 5,-0.4 0.904 107.4 58.9 -58.9 -40.7 70.6 11.9 -12.4 98 98 B K H X S+ 0 0 121 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.913 110.9 39.6 -55.3 -48.5 67.1 12.5 -13.8 99 99 B D H X S+ 0 0 1 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.890 118.6 47.1 -71.9 -37.1 66.4 15.3 -11.4 100 100 B F H <>S+ 0 0 3 -4,-2.4 5,-3.0 2,-0.2 -2,-0.2 0.899 110.9 50.4 -69.6 -43.7 69.9 16.9 -11.7 101 101 B D H ><5S+ 0 0 68 -4,-3.4 3,-2.1 1,-0.2 -1,-0.2 0.935 109.7 52.5 -59.3 -45.5 70.1 16.7 -15.5 102 102 B A H 3<5S+ 0 0 42 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.884 104.6 54.3 -59.4 -38.6 66.7 18.4 -15.5 103 103 B L T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.398 120.3-116.7 -76.3 8.3 68.1 21.1 -13.3 104 104 B N T < 5 + 0 0 56 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.786 57.7 163.5 63.0 29.7 70.8 21.4 -16.0 105 105 B I < - 0 0 7 -5,-3.0 -1,-0.2 -8,-0.1 -2,-0.1 -0.691 39.6-120.4 -81.6 124.6 73.4 20.4 -13.5 106 106 B L - 0 0 70 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 -0.292 30.9-104.7 -61.2 146.1 76.6 19.3 -15.3 107 107 B R - 0 0 124 1,-0.1 -44,-0.1 2,-0.1 -1,-0.1 -0.498 40.1-108.6 -71.2 138.5 77.7 15.7 -14.6 108 108 B P - 0 0 11 0, 0.0 -44,-0.2 0, 0.0 3,-0.2 -0.365 22.7-119.4 -64.5 151.3 80.7 15.6 -12.2 109 109 B D S S+ 0 0 81 -46,-1.0 2,-0.3 1,-0.2 -45,-0.2 0.846 102.2 15.1 -58.0 -31.7 84.0 14.6 -13.9 110 110 B M B -f 64 0B 63 -47,-1.6 -45,-2.3 2,-0.1 -1,-0.2 -0.984 61.0-174.2-148.3 132.5 84.0 11.6 -11.5 111 111 B E - 0 0 42 -2,-0.3 -45,-0.2 -47,-0.2 -47,-0.1 -0.615 18.6-168.8-126.7 69.7 81.2 10.2 -9.3 112 112 B P - 0 0 9 0, 0.0 -45,-2.4 0, 0.0 2,-0.4 -0.324 12.2-140.5 -66.4 139.5 82.8 7.5 -7.2 113 113 B R B >> -j 67 0E 43 -47,-0.2 3,-2.0 1,-0.1 4,-0.7 -0.851 13.0-133.6-102.0 133.2 80.4 5.2 -5.2 114 114 B A T 34 S+ 0 0 0 -47,-2.0 3,-0.5 -2,-0.4 7,-0.1 0.782 108.2 62.1 -54.4 -26.5 81.4 4.1 -1.7 115 115 B T T 34 S+ 0 0 27 -48,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.748 102.6 47.0 -74.1 -23.9 80.5 0.6 -2.8 116 116 B H T <4 S+ 0 0 120 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.516 110.5 55.8 -94.2 -4.1 83.2 0.5 -5.5 117 117 B H X + 0 0 20 -4,-0.7 4,-1.7 -3,-0.5 -1,-0.2 -0.013 59.4 123.0-120.0 33.8 85.8 1.9 -3.1 118 118 B I H > S+ 0 0 19 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.859 75.4 56.4 -59.8 -37.2 85.8 -0.6 -0.2 119 119 B A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 107.8 45.7 -64.2 -44.1 89.5 -1.3 -0.7 120 120 B E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.839 111.2 55.5 -67.5 -30.5 90.6 2.4 -0.4 121 121 B I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.946 112.6 39.4 -66.8 -46.8 88.4 2.7 2.6 122 122 B I H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.838 113.0 58.9 -71.5 -29.1 90.0 -0.2 4.4 123 123 B E H X S+ 0 0 44 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.948 108.8 42.8 -61.8 -49.5 93.4 1.0 3.1 124 124 B L H X S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.864 111.7 55.2 -64.3 -40.6 93.0 4.4 4.8 125 125 B T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.942 108.2 47.6 -59.6 -48.5 91.7 2.8 8.0 126 126 B E H >X S+ 0 0 84 -4,-2.5 4,-3.0 1,-0.2 3,-0.6 0.976 109.2 54.6 -56.3 -52.5 94.8 0.6 8.3 127 127 B Q H 3X S+ 0 0 95 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.849 108.6 49.2 -47.9 -39.3 96.9 3.7 7.7 128 128 B L H 3<>S+ 0 0 0 -4,-2.0 5,-3.3 2,-0.2 6,-0.8 0.866 110.9 49.0 -71.3 -35.7 95.1 5.3 10.6 129 129 B I H X<5S+ 0 0 54 -4,-2.1 3,-2.6 -3,-0.6 5,-0.3 0.964 109.0 52.7 -66.5 -51.6 95.6 2.4 12.9 130 130 B A H 3<5S+ 0 0 82 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.872 108.6 49.9 -51.8 -42.4 99.3 2.1 12.1 131 131 B K T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.369 120.3-110.5 -81.7 8.3 99.8 5.8 12.9 132 132 B G T < 5S+ 0 0 45 -3,-2.6 -3,-0.2 2,-0.1 -2,-0.1 0.773 89.5 113.8 71.1 27.9 98.0 5.3 16.2 133 133 B H S - 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0 0 3 -4,-2.2 2,-2.0 1,-0.2 -52,-0.5 0.924 68.6-167.5 50.1 59.6 80.2 33.8 -7.0 351 351 B N > + 0 0 38 -6,-2.2 4,-2.5 1,-0.2 -1,-0.2 -0.478 15.2 169.4 -78.1 79.3 77.7 36.7 -6.6 352 352 B T H > S+ 0 0 5 -2,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.848 72.3 57.4 -62.7 -36.5 74.9 35.3 -8.7 353 353 B P H > S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.974 111.7 43.4 -60.5 -45.6 72.3 37.9 -7.6 354 354 B E H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.918 112.7 52.0 -62.2 -43.5 74.7 40.7 -8.8 355 355 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.895 105.8 57.1 -58.4 -40.9 75.5 38.7 -12.0 356 356 B Y H X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.943 103.1 52.5 -53.8 -52.1 71.7 38.4 -12.6 357 357 B S H X S+ 0 0 43 -4,-1.9 4,-2.2 1,-0.3 -1,-0.2 0.884 106.8 53.2 -55.7 -38.7 71.3 42.2 -12.5 358 358 B V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.906 107.8 51.9 -63.9 -38.6 74.1 42.5 -15.2 359 359 B L H X S+ 0 0 2 -4,-2.0 4,-2.2 -3,-0.2 -2,-0.2 0.901 109.9 47.6 -65.0 -39.1 72.1 40.1 -17.3 360 360 B F H X S+ 0 0 47 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.857 110.3 51.8 -71.6 -32.4 68.9 42.1 -17.0 361 361 B D H X S+ 0 0 73 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.855 112.0 47.6 -67.5 -36.1 70.8 45.3 -17.8 362 362 B M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.877 109.4 52.8 -72.8 -37.3 72.2 43.6 -20.9 363 363 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 106.9 53.6 -62.7 -43.1 68.7 42.3 -21.8 364 364 B R H X S+ 0 0 155 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 108.4 48.5 -55.9 -46.7 67.5 45.9 -21.5 365 365 B E H X S+ 0 0 63 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.885 106.3 59.1 -61.7 -37.8 70.2 47.0 -24.0 366 366 B V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.930 108.6 43.4 -56.6 -47.6 69.1 44.2 -26.3 367 367 B N H X S+ 0 0 43 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.930 110.2 55.6 -64.3 -44.4 65.6 45.6 -26.5 368 368 B R H < S+ 0 0 163 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.0 42.3 -54.1 -41.5 67.0 49.1 -26.9 369 369 B L H >X S+ 0 0 15 -4,-2.7 3,-2.6 1,-0.2 4,-2.3 0.826 100.6 67.5 -75.6 -36.4 68.9 47.7 -29.9 370 370 B K H 3< S+ 0 0 57 -4,-2.5 4,-0.2 1,-0.3 -1,-0.2 0.894 104.3 46.6 -52.8 -37.8 66.2 45.5 -31.5 371 371 B A T 3< S+ 0 0 98 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.278 123.8 35.1 -87.5 10.5 64.3 48.8 -32.3 372 372 B E T <4 S- 0 0 124 -3,-2.6 2,-0.3 -5,-0.1 -2,-0.2 0.628 131.5 -5.6-124.6 -65.4 67.5 50.3 -33.7 373 373 B D X - 0 0 84 -4,-2.3 4,-2.2 1,-0.1 3,-0.2 -0.878 48.0-161.0-144.7 109.0 69.7 47.8 -35.4 374 374 B M H > S+ 0 0 78 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.740 93.1 62.9 -56.8 -28.2 69.0 44.1 -35.5 375 375 B A H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.976 107.5 39.1 -61.7 -59.6 72.6 43.5 -36.4 376 376 B A H > S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.876 115.9 55.1 -60.3 -36.7 74.0 45.0 -33.2 377 377 B A H X S+ 0 0 0 -4,-2.2 4,-3.0 -8,-0.3 5,-0.2 0.931 105.8 49.3 -63.8 -47.3 71.1 43.3 -31.2 378 378 B N H X S+ 0 0 20 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.902 114.1 47.0 -59.4 -40.2 71.8 39.9 -32.5 379 379 B A H X S+ 0 0 14 -4,-1.9 4,-1.7 1,-0.2 -46,-1.0 0.940 115.2 45.8 -65.5 -46.2 75.4 40.4 -31.5 380 380 B M H X S+ 0 0 8 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.801 111.7 52.0 -66.0 -30.9 74.4 41.7 -28.1 381 381 B A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.870 107.5 52.1 -72.3 -37.5 71.9 38.9 -27.6 382 382 B S H X S+ 0 0 16 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.860 106.8 53.4 -65.1 -36.6 74.6 36.4 -28.4 383 383 B H H X S+ 0 0 5 -4,-1.7 4,-1.8 -50,-0.2 -1,-0.2 0.823 107.5 52.9 -67.8 -31.8 76.8 38.0 -25.8 384 384 B L H X S+ 0 0 0 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.974 108.7 46.8 -67.4 -56.1 73.9 37.7 -23.3 385 385 B R H X S+ 0 0 24 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.840 108.7 59.1 -55.8 -34.2 73.5 33.9 -23.9 386 386 B K H X S+ 0 0 83 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.952 111.5 37.4 -62.5 -49.6 77.2 33.5 -23.6 387 387 B L H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 4,-0.4 0.922 117.2 51.9 -70.3 -39.9 77.4 34.9 -20.1 388 388 B S H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.3 3,-1.6 0.809 97.0 67.0 -66.2 -28.5 74.2 33.3 -19.0 389 389 B A H ><5S+ 0 0 36 -4,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.839 91.1 65.0 -60.7 -28.8 75.4 29.9 -20.3 390 390 B V T <<5S+ 0 0 10 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.816 107.4 40.8 -62.2 -28.1 77.9 30.2 -17.4 391 391 B L T < 5S- 0 0 0 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.278 120.3-108.1-102.3 9.6 74.9 30.1 -15.1 392 392 B G T < 5S+ 0 0 2 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.824 77.5 128.5 69.4 32.7 73.1 27.4 -17.1 393 393 B L < + 0 0 1 -5,-2.2 -1,-0.2 -8,-0.2 -2,-0.1 -0.848 48.6 20.3-125.4 158.8 70.4 29.8 -18.3 394 394 B L S S+ 0 0 2 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.756 72.8 127.9 61.9 34.1 68.8 31.0 -21.6 395 395 B E + 0 0 100 -3,-0.2 2,-0.2 -7,-0.1 -1,-0.1 0.465 50.1 83.9 -96.2 -3.6 69.7 27.9 -23.6 396 396 B Q S S- 0 0 72 1,-0.1 3,-0.0 2,-0.0 -3,-0.0 -0.507 95.4 -89.5 -95.1 166.6 66.2 27.1 -24.9 397 397 B E > - 0 0 111 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.647 38.1-133.9 -74.3 125.0 64.5 28.6 -27.9 398 398 B P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.883 102.4 50.6 -46.4 -49.5 62.7 31.7 -26.6 399 399 B E H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.962 109.9 49.7 -55.2 -55.5 59.5 31.0 -28.3 400 400 B A H 4 S+ 0 0 51 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.861 112.7 47.8 -51.5 -43.9 59.3 27.4 -27.0 401 401 B F H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.955 113.5 44.7 -65.8 -51.7 60.0 28.5 -23.5 402 402 B L H 3< S+ 0 0 2 -4,-2.6 58,-3.0 1,-0.3 -2,-0.2 0.849 112.7 53.7 -62.7 -33.4 57.4 31.3 -23.4 403 403 B Q T 3< S+ 0 0 43 -4,-2.7 2,-0.3 -5,-0.3 -1,-0.3 0.237 110.1 50.6 -88.6 15.7 54.8 29.1 -25.1 404 404 B S < + 0 0 49 -3,-1.5 2,-0.3 -5,-0.1 56,-0.2 -0.876 55.3 176.7-142.3 174.8 55.1 26.3 -22.5 405 405 B G - 0 0 29 4,-0.3 -121,-0.1 -2,-0.3 3,-0.1 -0.941 41.9 -97.9-165.0 177.5 55.1 25.7 -18.8 406 406 B A S S+ 0 0 42 -123,-0.3 2,-0.3 -2,-0.3 -122,-0.2 0.932 99.0 23.3 -76.1 -49.3 55.2 22.8 -16.3 407 407 B Q S S+ 0 0 51 -124,-0.5 -1,-0.1 1,-0.1 -124,-0.1 -0.848 124.8 12.3-121.4 157.9 51.5 22.3 -15.5 408 408 B A S S+ 0 0 105 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.422 91.4 121.1 61.0 -5.9 48.2 23.0 -17.3 409 409 B D - 0 0 28 -4,-0.1 2,-0.6 51,-0.0 -4,-0.3 -0.606 43.1-180.0 -88.1 75.1 50.6 23.7 -20.2 410 410 B D > - 0 0 55 -2,-1.7 3,-1.5 1,-0.2 4,-0.3 -0.711 22.0-153.9 -80.8 117.4 49.1 21.1 -22.5 411 411 B S T > S+ 0 0 108 -2,-0.6 3,-1.1 1,-0.3 4,-0.3 0.708 91.8 70.1 -64.3 -19.7 51.0 21.2 -25.8 412 412 B E T >> S+ 0 0 168 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.765 82.2 72.9 -69.4 -23.4 47.9 19.8 -27.5 413 413 B V H <> S+ 0 0 16 -3,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.804 75.1 81.9 -59.3 -29.6 46.3 23.2 -26.9 414 414 B A H <4 S+ 0 0 56 -3,-1.1 3,-0.3 -4,-0.3 -1,-0.3 0.828 87.1 57.3 -44.8 -38.4 48.6 24.7 -29.6 415 415 B E H X4 S+ 0 0 75 -3,-1.4 3,-0.7 -4,-0.3 -1,-0.2 0.989 106.6 44.3 -56.8 -66.5 46.1 23.3 -32.2 416 416 B I H >< S+ 0 0 102 -4,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.606 89.3 89.4 -55.8 -13.4 43.1 25.2 -30.8 417 417 B E T >< + 0 0 16 -4,-1.2 3,-1.1 -3,-0.3 -1,-0.3 0.272 56.8 100.3 -69.5 16.0 45.3 28.3 -30.5 418 418 B A T <> + 0 0 66 -3,-0.7 4,-1.0 1,-0.3 -1,-0.3 0.194 52.9 91.3 -85.3 15.3 44.0 28.8 -34.1 419 419 B L H <> S+ 0 0 49 -3,-0.7 4,-2.5 2,-0.2 -1,-0.3 0.693 74.1 67.2 -78.4 -22.5 41.7 31.3 -32.4 420 420 B I H <> S+ 0 0 29 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.935 96.8 51.7 -64.0 -46.0 44.4 33.8 -33.2 421 421 B Q H > S+ 0 0 112 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 110.4 48.7 -55.6 -44.9 43.8 33.5 -36.9 422 422 B Q H X S+ 0 0 123 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.924 111.8 48.6 -61.8 -45.1 40.1 34.1 -36.4 423 423 B R H X S+ 0 0 3 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.897 107.7 56.8 -61.7 -38.9 40.9 37.2 -34.2 424 424 B L H X S+ 0 0 69 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.947 108.5 45.4 -56.6 -51.6 43.3 38.3 -37.0 425 425 B D H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 113.6 49.6 -58.3 -48.1 40.4 38.2 -39.5 426 426 B A H <>S+ 0 0 16 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.936 113.2 47.3 -55.4 -47.6 38.1 40.0 -37.1 427 427 B R H ><5S+ 0 0 72 -4,-3.4 3,-1.1 1,-0.2 -1,-0.2 0.839 109.8 52.4 -63.2 -36.0 40.8 42.6 -36.5 428 428 B K H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.885 109.7 50.0 -69.0 -35.4 41.4 43.0 -40.2 429 429 B A T 3<5S- 0 0 75 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.313 116.5-116.3 -84.6 9.1 37.6 43.5 -40.6 430 430 B K T < 5 + 0 0 61 -3,-1.1 2,-1.6 1,-0.2 -3,-0.2 0.731 67.5 145.1 63.3 22.9 37.7 46.2 -37.9 431 431 B D >< + 0 0 76 -5,-2.8 4,-1.8 1,-0.2 3,-0.3 -0.630 17.1 170.1 -90.4 74.8 35.4 44.0 -35.7 432 432 B W H > + 0 0 147 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.802 70.0 59.1 -60.1 -29.0 37.0 45.1 -32.5 433 433 B A H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 108.5 40.9 -68.9 -43.6 34.3 43.5 -30.4 434 434 B A H > S+ 0 0 41 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.803 114.1 55.8 -75.2 -26.6 34.8 40.0 -31.8 435 435 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.960 109.3 44.0 -68.0 -51.0 38.5 40.5 -31.6 436 436 B D H X S+ 0 0 70 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.876 111.2 54.3 -62.5 -38.8 38.6 41.3 -27.9 437 437 B A H X S+ 0 0 56 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.929 109.1 47.9 -61.8 -45.3 36.2 38.5 -27.0 438 438 B A H X S+ 0 0 15 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.927 112.0 50.2 -61.1 -43.3 38.4 35.9 -28.7 439 439 B R H X S+ 0 0 87 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.791 108.1 53.8 -65.3 -27.6 41.4 37.4 -26.9 440 440 B D H X S+ 0 0 105 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.869 106.5 51.7 -73.7 -37.3 39.5 37.2 -23.6 441 441 B R H X S+ 0 0 50 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.872 109.6 49.1 -66.1 -39.0 38.8 33.5 -24.2 442 442 B L H <>S+ 0 0 2 -4,-1.9 5,-1.9 1,-0.2 -1,-0.2 0.930 109.0 53.9 -65.2 -44.5 42.5 32.8 -24.8 443 443 B N H ><5S+ 0 0 67 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.876 106.9 51.6 -55.4 -41.1 43.3 34.8 -21.6 444 444 B E H 3<5S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.891 108.5 50.7 -65.2 -40.4 40.8 32.5 -19.6 445 445 B M T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.197 130.2 -93.6 -85.2 19.5 42.6 29.4 -21.0 446 446 B G T < 5S+ 0 0 24 -3,-1.3 15,-1.7 1,-0.2 2,-0.4 0.840 86.1 116.2 78.4 35.5 45.9 30.8 -19.9 447 447 B I E < -Q 460 0I 4 -5,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.990 41.6-161.9-140.2 131.6 47.3 32.5 -23.0 448 448 B V E -Q 459 0I 36 11,-2.1 11,-1.3 -2,-0.4 2,-0.3 -0.717 14.9-136.4-106.5 159.9 48.1 36.1 -23.6 449 449 B L E -Q 458 0I 18 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.797 9.6-160.7-117.6 159.0 48.5 37.9 -27.0 450 450 B E E -Q 457 0I 60 7,-2.3 7,-3.2 -2,-0.3 2,-0.6 -0.926 10.0-155.0-140.8 111.0 51.0 40.4 -28.5 451 451 B D E +Q 456 0I 62 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.795 33.5 145.5 -89.7 120.1 50.0 42.4 -31.6 452 452 B G - 0 0 44 3,-1.8 4,-0.1 -2,-0.6 -1,-0.1 -0.160 52.0 -30.2-125.7-141.4 53.0 43.5 -33.6 453 453 B P S S- 0 0 142 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.933 120.9 -29.9 -46.1 -98.8 54.3 44.1 -37.2 454 454 B Q S S+ 0 0 113 1,-0.0 2,-0.3 -3,-0.0 -3,-0.0 -0.168 131.2 71.5-116.3 32.7 52.5 41.8 -39.6 455 455 B G - 0 0 36 2,-0.0 -3,-1.8 -31,-0.0 2,-0.5 -0.958 62.4-150.0-157.5 136.4 52.2 39.3 -36.8 456 456 B T E -Q 451 0I 37 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.886 27.2-165.8 -99.9 127.6 50.4 38.5 -33.5 457 457 B T E -Q 450 0I 48 -7,-3.2 -7,-2.3 -2,-0.5 2,-0.3 -0.657 1.4-156.7-109.1 171.1 52.5 36.4 -31.1 458 458 B W E +Q 449 0I 45 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.978 12.8 175.0-147.9 158.3 51.5 34.5 -28.0 459 459 B R E -Q 448 0I 61 -11,-1.3 -11,-2.1 -2,-0.3 -56,-0.3 -0.928 44.5 -78.2-153.2 166.2 53.0 33.1 -24.8 460 460 B R E Q 447 0I 24 -58,-3.0 -13,-0.2 -2,-0.3 -56,-0.1 -0.499 360.0 360.0 -73.3 140.4 51.6 31.4 -21.6 461 461 B K 0 0 163 -15,-1.7 -1,-0.1 -2,-0.2 -14,-0.1 0.865 360.0 360.0 -64.8 360.0 50.0 33.7 -19.1