==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-SEP-02 1MP3 . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR W.A.BARTON,J.B.BIGGINS,J.JIANG,J.T.THORSON,D.B.NIKOLOV . 578 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 9.9 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 47 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 5 0 0 4 4 5 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 3 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 PARALLEL BRIDGES PER LADDER . 2 4 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 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 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 98 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 113.5 3.9 80.3 58.8 2 2 A K - 0 0 103 1,-0.1 2,-0.6 2,-0.1 126,-0.2 -0.522 360.0-107.2 -69.0 131.5 6.8 80.5 56.4 3 3 A T + 0 0 2 124,-2.3 102,-0.1 -2,-0.3 -1,-0.1 -0.449 52.6 161.2 -61.3 107.4 5.6 81.1 52.9 4 4 A R + 0 0 111 -2,-0.6 47,-1.0 100,-0.4 46,-0.5 0.321 50.7 70.7-112.9 4.3 6.2 77.7 51.3 5 5 A K E +a 51 0A 33 99,-0.4 101,-2.5 44,-0.1 2,-0.3 -0.946 57.6 176.6-122.8 145.9 3.9 78.0 48.3 6 6 A G E -ab 52 106A 0 45,-1.8 47,-3.0 -2,-0.4 2,-0.4 -0.967 17.6-147.2-145.7 161.0 4.3 80.2 45.2 7 7 A I E -ab 53 107A 0 99,-1.4 101,-2.4 -2,-0.3 2,-0.5 -0.982 3.0-157.9-131.8 140.0 2.7 81.0 41.9 8 8 A I E -ab 54 108A 0 45,-2.3 47,-2.5 -2,-0.4 2,-1.4 -0.980 11.6-151.1-118.2 113.2 4.4 82.0 38.6 9 9 A L E +ab 55 109A 16 99,-1.9 101,-2.3 -2,-0.5 102,-0.2 -0.693 30.4 160.5 -86.8 88.7 2.0 83.9 36.3 10 10 A A + 0 0 0 45,-2.7 47,-0.4 -2,-1.4 17,-0.2 -0.186 44.5 80.8-104.6 40.5 3.4 82.9 33.0 11 11 A G + 0 0 11 45,-0.3 15,-0.2 15,-0.1 16,-0.2 0.239 43.1 116.0-111.4-125.5 0.5 83.6 30.7 12 12 A G - 0 0 37 71,-0.1 45,-0.1 1,-0.1 14,-0.1 -0.241 68.1 -91.5 87.2-176.3 -0.8 86.8 29.2 13 13 A S - 0 0 58 73,-0.1 -1,-0.1 -2,-0.1 13,-0.0 0.799 32.8-154.5-106.2 -47.0 -1.1 88.1 25.7 14 14 A G > + 0 0 19 11,-0.1 3,-1.4 2,-0.1 7,-0.3 0.891 29.8 160.4 70.0 40.1 2.2 89.8 24.9 15 15 A T G > + 0 0 86 1,-0.3 3,-1.6 2,-0.2 6,-0.1 0.842 67.5 65.3 -62.6 -32.9 0.8 92.1 22.3 16 16 A R G 3 S+ 0 0 148 1,-0.3 214,-0.4 3,-0.1 -1,-0.3 0.709 104.4 46.3 -62.3 -19.9 3.7 94.5 22.6 17 17 A L G X> S+ 0 0 0 -3,-1.4 3,-1.8 212,-0.1 4,-0.7 0.314 91.2 170.0-107.1 8.9 6.0 91.8 21.3 18 18 A Y T <4 + 0 0 105 -3,-1.6 -4,-0.0 1,-0.3 -3,-0.0 -0.334 61.1 20.7 -59.6 147.2 4.0 90.5 18.3 19 19 A P T >> S+ 0 0 105 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.968 122.0 60.1 -91.0 9.5 4.8 88.7 16.2 20 20 A V T <4 S+ 0 0 68 -3,-1.8 3,-0.4 1,-0.3 4,-0.3 0.875 112.2 42.6 -58.8 -39.8 7.5 87.3 18.4 21 21 A T T 3< S+ 0 0 15 -4,-0.7 -1,-0.3 -7,-0.3 -3,-0.2 0.188 91.3 90.2 -94.5 16.9 4.9 86.3 20.9 22 22 A M T <4 S+ 0 0 126 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.892 109.4 11.0 -76.9 -42.4 2.6 84.9 18.3 23 23 A A S < S+ 0 0 72 -4,-0.6 2,-0.4 -3,-0.4 -2,-0.2 0.317 128.7 57.8-118.1 6.1 4.0 81.4 18.3 24 24 A V S S- 0 0 61 -4,-0.3 -1,-0.2 -5,-0.2 5,-0.1 -0.939 82.2-121.0-142.7 118.9 6.2 81.7 21.4 25 25 A S >> - 0 0 6 -2,-0.4 3,-1.9 1,-0.1 4,-0.7 -0.192 24.1-123.5 -53.4 142.6 5.1 82.6 25.0 26 26 A Q G >4 S+ 0 0 21 1,-0.3 3,-1.1 -15,-0.2 10,-0.2 0.894 113.2 56.3 -56.2 -39.2 6.8 85.6 26.4 27 27 A Q G 34 S+ 0 0 5 1,-0.3 10,-2.3 -17,-0.2 -1,-0.3 0.455 103.6 53.9 -74.9 -0.4 8.0 83.5 29.3 28 28 A L G <4 S+ 0 0 38 -3,-1.9 -1,-0.3 8,-0.2 -2,-0.2 0.503 83.8 110.3-105.8 -11.7 9.6 81.0 26.9 29 29 A L S << S- 0 0 14 -3,-1.1 7,-3.2 -4,-0.7 2,-0.3 -0.274 77.8-105.0 -61.8 150.0 11.7 83.7 25.2 30 30 A P B -J 35 0B 82 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.593 20.2-160.6 -83.3 137.2 15.4 83.5 25.9 31 31 A I S S- 0 0 0 3,-2.7 2,-1.2 -2,-0.3 3,-0.2 -0.765 72.7 -65.2-112.0 79.4 17.0 86.0 28.3 32 32 A Y S S+ 0 0 94 -2,-0.8 205,-0.1 1,-0.2 206,-0.1 -0.634 125.7 6.7 79.2 -90.2 20.5 85.4 26.9 33 33 A D S S+ 0 0 45 -2,-1.2 -1,-0.2 204,-0.1 248,-0.0 0.265 126.6 31.6-111.6 12.5 21.3 81.8 27.8 34 34 A K S S- 0 0 7 -3,-0.2 -3,-2.7 -5,-0.0 -1,-0.1 -0.988 89.7 -77.9-162.7 156.9 18.0 80.4 29.3 35 35 A P B > -J 30 0B 30 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.280 43.6-116.9 -61.9 140.6 14.2 80.7 29.0 36 36 A M T > S+ 0 0 0 -7,-3.2 3,-1.9 1,-0.3 -8,-0.2 0.824 110.0 65.0 -45.0 -43.4 12.7 83.7 30.7 37 37 A I T 3> S+ 0 0 0 -10,-2.3 4,-1.9 1,-0.3 -1,-0.3 0.733 86.6 72.3 -58.7 -20.6 10.7 81.5 33.2 38 38 A Y H <> S+ 0 0 23 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.827 93.6 57.5 -63.6 -28.7 13.9 80.3 34.8 39 39 A Y H <> S+ 0 0 0 -3,-1.9 4,-1.9 -4,-0.4 -1,-0.2 0.976 109.6 37.3 -69.5 -55.6 14.3 83.7 36.3 40 40 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.897 117.1 54.2 -64.3 -35.3 11.1 84.1 38.3 41 41 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.944 107.4 50.8 -60.1 -48.0 11.3 80.4 39.2 42 42 A S H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.870 106.9 54.7 -54.4 -42.7 14.8 80.9 40.6 43 43 A T H X S+ 0 0 1 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.923 109.4 46.4 -60.9 -46.2 13.6 83.8 42.7 44 44 A L H ><>S+ 0 0 1 -4,-2.0 5,-2.0 1,-0.2 3,-1.4 0.965 113.0 50.2 -60.8 -50.6 11.0 81.6 44.3 45 45 A M H ><5S+ 0 0 0 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.893 107.0 54.1 -53.1 -44.8 13.5 78.9 44.8 46 46 A L H 3<5S+ 0 0 47 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.698 102.0 59.4 -64.9 -18.3 15.9 81.4 46.4 47 47 A A T <<5S- 0 0 10 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.481 124.7-106.5 -86.9 -1.8 13.1 82.3 48.8 48 48 A G T < 5S+ 0 0 10 -3,-2.1 2,-0.6 1,-0.3 -3,-0.2 0.539 74.9 143.8 88.7 7.7 13.1 78.7 49.9 49 49 A I < + 0 0 0 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.735 13.0 157.5 -86.9 118.8 9.8 78.0 48.0 50 50 A R + 0 0 106 -2,-0.6 27,-2.1 -46,-0.5 2,-1.1 0.693 55.6 76.0-110.0 -32.8 9.6 74.6 46.4 51 51 A D E +ac 5 77A 35 -47,-1.0 -45,-1.8 25,-0.2 2,-0.4 -0.742 68.2 171.5 -88.4 100.0 5.9 74.0 46.0 52 52 A I E -ac 6 78A 0 25,-1.6 27,-2.2 -2,-1.1 2,-0.6 -0.902 29.0-151.5-118.9 137.4 5.1 76.1 43.0 53 53 A L E -ac 7 79A 4 -47,-3.0 -45,-2.3 -2,-0.4 2,-0.6 -0.913 13.9-155.9-105.5 120.5 2.0 76.5 40.8 54 54 A I E -ac 8 80A 0 25,-3.3 27,-1.9 -2,-0.6 2,-0.4 -0.854 10.2-170.0-101.1 119.3 2.7 77.6 37.2 55 55 A I E +ac 9 81A 0 -47,-2.5 -45,-2.7 -2,-0.6 2,-0.2 -0.908 20.1 140.8-108.4 135.8 -0.2 79.3 35.5 56 56 A S E - c 0 82A 0 25,-1.2 27,-2.9 -2,-0.4 -45,-0.3 -0.779 51.6 -58.8-151.5-165.0 -0.2 80.0 31.8 57 57 A T > - 0 0 23 -47,-0.4 4,-2.4 -2,-0.2 -1,-0.1 -0.285 51.6-105.5 -80.7 170.5 -2.5 80.1 28.7 58 58 A P T 4 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 27,-0.0 0.898 122.2 41.7 -66.2 -34.1 -4.3 77.0 27.5 59 59 A Q T 4 S+ 0 0 118 1,-0.1 4,-0.2 2,-0.1 23,-0.0 0.858 122.0 38.8 -79.1 -33.7 -2.0 76.7 24.6 60 60 A D T >> S+ 0 0 17 1,-0.1 4,-1.9 2,-0.1 3,-0.9 0.721 94.4 79.0 -91.1 -21.2 1.2 77.5 26.5 61 61 A T H 3X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.3 -1,-0.1 0.923 94.7 50.2 -53.5 -46.7 0.6 75.7 29.8 62 62 A P H 3> S+ 0 0 69 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.765 107.2 56.7 -65.3 -21.8 1.6 72.3 28.4 63 63 A R H <> S+ 0 0 94 -3,-0.9 4,-1.9 -4,-0.2 -2,-0.2 0.911 107.0 45.2 -75.2 -42.2 4.8 73.8 27.0 64 64 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.4 0.853 112.7 55.0 -66.9 -29.6 6.0 75.0 30.3 65 65 A Q H X S+ 0 0 99 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.850 108.3 46.7 -69.8 -32.7 5.0 71.5 31.5 66 66 A Q H < S+ 0 0 167 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.792 116.1 46.2 -77.1 -29.4 7.2 70.0 28.8 67 67 A L H < S+ 0 0 61 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.868 130.2 18.8 -80.5 -37.0 10.0 72.3 29.7 68 68 A L H >< S- 0 0 2 -4,-2.6 3,-1.2 -5,-0.2 5,-0.2 0.690 82.3-169.2-108.1 -27.2 9.8 71.9 33.5 69 69 A G T 3< - 0 0 26 -4,-1.7 -1,-0.1 -5,-0.4 -2,-0.1 -0.250 67.0 -36.6 64.6-157.0 7.9 68.7 34.2 70 70 A D T 3 S- 0 0 91 7,-0.1 8,-2.6 1,-0.1 -1,-0.2 0.412 81.4-123.5 -80.1 3.6 6.8 68.1 37.8 71 71 A G S X >S+ 0 0 0 -3,-1.2 5,-2.6 6,-0.2 3,-1.9 0.464 73.1 130.7 70.9 3.3 10.2 69.6 38.9 72 72 A S G > 5 + 0 0 72 1,-0.3 3,-1.8 3,-0.2 -1,-0.1 0.806 63.8 69.2 -58.0 -28.0 11.3 66.6 40.9 73 73 A Q G 3 5S+ 0 0 58 1,-0.3 -1,-0.3 -5,-0.2 199,-0.1 0.787 106.9 37.4 -61.3 -28.0 14.6 66.8 39.0 74 74 A W G < 5S- 0 0 7 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.195 123.9-102.2-107.0 14.6 15.4 70.0 40.9 75 75 A G T < 5S+ 0 0 18 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.753 84.5 125.1 73.2 23.5 13.8 68.8 44.1 76 76 A L < - 0 0 10 -5,-2.6 2,-0.5 -25,-0.0 -1,-0.3 -0.621 60.5-135.2-110.6 170.4 10.7 70.9 43.5 77 77 A N E -c 51 0A 78 -27,-2.1 -25,-1.6 -2,-0.2 2,-0.4 -0.892 30.4-175.4-125.3 96.5 6.9 70.1 43.2 78 78 A L E -c 52 0A 7 -8,-2.6 2,-0.3 -2,-0.5 -25,-0.2 -0.774 4.5-178.6 -98.8 139.6 5.6 71.9 40.2 79 79 A Q E -c 53 0A 76 -27,-2.2 -25,-3.3 -2,-0.4 2,-0.4 -0.880 12.5-145.0-128.3 162.1 1.9 72.0 39.3 80 80 A Y E +c 54 0A 35 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.983 17.3 172.4-134.9 142.7 0.2 73.6 36.4 81 81 A K E -c 55 0A 72 -27,-1.9 -25,-1.2 -2,-0.4 2,-0.2 -0.986 28.0-124.1-146.5 139.6 -3.2 75.3 35.9 82 82 A V E -c 56 0A 54 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.590 5.6-146.0 -88.2 145.2 -4.5 77.1 32.9 83 83 A Q - 0 0 10 -27,-2.9 -71,-0.1 -2,-0.2 -22,-0.1 -0.936 14.1-152.0-107.4 104.5 -5.8 80.7 33.0 84 84 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.839 76.1 3.6 -42.6 -46.6 -8.6 80.6 30.3 85 85 A S S S- 0 0 49 -3,-0.1 2,-2.7 -28,-0.1 3,-0.1 -0.994 80.4-106.2-145.9 145.2 -8.2 84.3 29.5 86 86 A P + 0 0 64 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 -0.389 58.5 149.3 -72.6 70.7 -5.8 87.0 30.6 87 87 A D - 0 0 67 -2,-2.7 111,-2.5 1,-0.3 3,-0.1 0.198 66.2 -47.1 -90.9 16.1 -8.4 88.8 32.8 88 88 A G > - 0 0 5 109,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.153 45.4-104.2 128.1 138.9 -5.9 90.1 35.3 89 89 A T G > S+ 0 0 48 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.809 116.0 64.2 -59.8 -30.1 -2.9 89.1 37.5 90 90 A A G > S+ 0 0 1 108,-2.0 3,-1.7 1,-0.3 4,-0.3 0.767 86.1 73.0 -66.1 -23.0 -5.1 89.1 40.5 91 91 A Q G X> S+ 0 0 33 -3,-1.5 4,-2.6 107,-0.6 3,-1.6 0.695 75.8 82.5 -64.1 -17.8 -7.1 86.2 38.9 92 92 A A H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.3 0.831 89.1 51.5 -57.1 -31.2 -4.0 84.1 39.7 93 93 A F H <4 S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.623 108.7 50.2 -83.3 -10.7 -5.4 83.7 43.3 94 94 A I H X4 S+ 0 0 59 -3,-1.6 3,-1.0 -4,-0.3 4,-0.3 0.869 115.0 42.9 -87.1 -46.0 -8.8 82.6 42.0 95 95 A I H 3< S+ 0 0 15 -4,-2.6 3,-0.4 1,-0.2 4,-0.2 0.897 121.2 40.9 -65.4 -42.6 -7.3 80.0 39.7 96 96 A G T 3X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.161 80.6 112.6 -95.5 20.3 -4.8 78.8 42.3 97 97 A E H <> S+ 0 0 61 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.903 81.1 44.7 -56.2 -47.1 -7.2 78.9 45.2 98 98 A E H 4 S+ 0 0 123 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.921 112.3 53.1 -64.5 -43.4 -7.2 75.1 45.6 99 99 A F H 4 S+ 0 0 18 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 111.7 46.3 -59.5 -38.3 -3.4 75.1 45.3 100 100 A I H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.851 80.7 169.8 -75.2 -36.7 -3.1 77.7 48.0 101 101 A G T 3< S- 0 0 36 -4,-2.1 -1,-0.2 1,-0.2 83,-0.1 -0.402 71.6 -32.5 61.4-132.3 -5.5 76.1 50.5 102 102 A H T 3 S+ 0 0 163 -2,-0.1 -1,-0.2 -4,-0.1 79,-0.2 0.308 116.4 101.0-102.5 5.6 -5.3 77.8 53.8 103 103 A D S < S- 0 0 65 -3,-1.9 2,-0.2 1,-0.1 -100,-0.1 -0.244 77.9 -95.9 -88.1 175.9 -1.6 78.6 53.5 104 104 A D - 0 0 9 -102,-0.2 -99,-0.4 76,-0.1 -100,-0.4 -0.486 41.9-166.0 -84.4 160.5 0.4 81.7 52.6 105 105 A C E - D 0 179A 0 74,-1.7 74,-2.5 -2,-0.2 -99,-0.3 -0.993 16.3-144.4-154.6 142.0 1.6 82.1 49.0 106 106 A A E -bD 6 178A 0 -101,-2.5 -99,-1.4 -2,-0.3 2,-0.4 -0.673 14.9-160.1-100.6 158.9 4.0 84.2 47.0 107 107 A L E +bD 7 177A 0 70,-2.9 70,-3.3 -2,-0.2 2,-0.4 -0.991 9.4 179.9-141.0 130.1 3.2 85.3 43.4 108 108 A V E -bD 8 176A 0 -101,-2.4 -99,-1.9 -2,-0.4 68,-0.2 -0.996 30.9-116.0-133.5 139.0 5.8 86.5 40.9 109 109 A L E > -b 9 0A 32 66,-2.4 3,-1.5 -2,-0.4 -99,-0.2 -0.510 24.6-125.1 -72.3 143.8 5.1 87.6 37.3 110 110 A G T 3 S+ 0 0 1 -101,-2.3 -71,-0.2 1,-0.3 -100,-0.1 0.610 106.2 48.9 -66.9 -14.4 6.6 85.4 34.7 111 111 A D T 3 S+ 0 0 21 -102,-0.2 116,-0.6 -72,-0.1 2,-0.5 0.162 85.6 111.5-111.3 19.0 8.5 88.1 32.9 112 112 A N E < -K 226 0C 0 -3,-1.5 2,-0.5 114,-0.1 114,-0.2 -0.823 46.4-166.9 -99.1 124.8 10.2 89.6 36.0 113 113 A I E -K 225 0C 2 112,-2.2 112,-2.3 -2,-0.5 2,-0.5 -0.948 3.8-170.3-111.9 122.7 13.9 89.2 36.5 114 114 A F E +K 224 0C 4 -2,-0.5 2,-0.3 110,-0.2 110,-0.2 -0.945 11.9 164.0-115.7 129.8 15.4 90.0 40.0 115 115 A Y E +K 223 0C 25 108,-2.5 108,-3.7 -2,-0.5 2,-0.2 -0.998 16.2 109.0-144.7 138.7 19.2 90.2 40.6 116 116 A G > - 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0 0 34 -2,-0.6 3,-2.1 -81,-0.1 188,-0.1 0.063 24.5 -97.6 -63.5 171.2 17.3 99.9 46.2 220 220 A R T 3 S+ 0 0 75 1,-0.3 -1,-0.1 186,-0.1 317,-0.1 0.632 115.9 74.8 -62.1 -16.1 19.2 100.9 43.1 221 221 A G T 3 S+ 0 0 12 185,-0.1 186,-0.8 2,-0.1 -104,-0.3 0.727 90.5 70.3 -70.4 -21.4 21.8 98.4 44.1 222 222 A Y S < S- 0 0 7 -3,-2.1 2,-0.5 184,-0.2 -106,-0.2 -0.607 79.5-133.0 -94.4 159.0 19.4 95.7 42.9 223 223 A A E +K 115 0C 9 -108,-3.7 -108,-2.5 -2,-0.2 2,-0.5 -0.950 23.1 175.4-113.8 123.8 18.4 95.0 39.3 224 224 A W E -K 114 0C 1 -2,-0.5 2,-0.3 -110,-0.2 -110,-0.2 -0.935 15.0-178.8-129.4 107.1 14.7 94.5 38.5 225 225 A L E -K 113 0C 13 -112,-2.3 -112,-2.2 -2,-0.5 2,-0.3 -0.805 14.8-155.8-111.9 151.1 14.1 94.1 34.8 226 226 A D E -K 112 0C 16 -2,-0.3 10,-0.2 -114,-0.2 3,-0.2 -0.872 6.0-157.5-119.6 153.6 10.9 93.7 32.7 227 227 A T + 0 0 0 -116,-0.6 -115,-0.1 -2,-0.3 3,-0.0 -0.466 54.4 113.5-131.6 63.4 10.6 92.1 29.3 228 228 A G S S+ 0 0 4 -2,-0.1 2,-0.3 -212,-0.1 -1,-0.1 0.649 72.0 50.8-104.1 -20.7 7.5 93.5 27.7 229 229 A T S > S- 0 0 38 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.841 84.0-115.8-120.0 157.3 9.0 95.4 24.9 230 230 A H H > S+ 0 0 98 -214,-0.4 4,-1.5 -2,-0.3 5,-0.2 0.918 116.4 49.1 -50.2 -51.7 11.6 94.6 22.1 231 231 A Q H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.932 113.0 43.7 -56.6 -53.4 14.0 97.1 23.6 232 232 A S H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 107.7 60.2 -64.4 -38.4 13.8 95.9 27.2 233 233 A L H X S+ 0 0 27 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.893 111.2 40.0 -56.3 -40.6 14.0 92.3 26.2 234 234 A I H X S+ 0 0 104 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.777 110.9 57.9 -81.3 -27.0 17.4 92.8 24.6 235 235 A E H X S+ 0 0 59 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.935 107.0 48.3 -67.6 -43.7 18.6 95.2 27.4 236 236 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 -10,-0.2 5,-0.2 0.845 109.7 53.3 -63.9 -35.8 18.0 92.4 30.0 237 237 A S H X S+ 0 0 22 -4,-1.1 4,-2.2 -5,-0.2 -1,-0.2 0.927 109.7 46.1 -66.1 -45.3 19.8 89.9 27.9 238 238 A N H X S+ 0 0 67 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.853 111.2 56.0 -63.3 -37.3 22.9 92.0 27.5 239 239 A F H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.967 110.7 40.7 -58.8 -58.0 22.8 92.7 31.2 240 240 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.863 113.1 56.8 -60.4 -38.5 22.8 89.1 32.2 241 241 A A H X S+ 0 0 12 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.941 105.2 49.5 -60.6 -48.8 25.4 88.4 29.6 242 242 A T H X S+ 0 0 6 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.930 113.9 47.3 -56.1 -46.5 27.9 90.9 31.0 243 243 A I H X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.971 115.9 41.5 -60.6 -56.1 27.5 89.5 34.5 244 244 A E H X S+ 0 0 10 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.868 112.2 54.7 -61.2 -39.4 27.9 85.8 33.5 245 245 A E H < S+ 0 0 92 -4,-2.8 186,-0.2 -5,-0.3 -1,-0.2 0.880 115.2 40.6 -61.9 -39.5 30.8 86.5 31.1 246 246 A R H < S+ 0 0 26 -4,-1.7 185,-2.2 -5,-0.3 186,-0.4 0.928 123.9 35.2 -75.1 -49.1 32.7 88.3 33.8 247 247 A Q H < S- 0 0 1 -4,-2.8 -3,-0.2 183,-0.3 -2,-0.2 0.843 90.2-135.4 -77.8 -34.6 31.9 86.0 36.8 248 248 A G S < S+ 0 0 21 -4,-2.9 2,-0.4 1,-0.4 -3,-0.1 0.762 73.1 113.0 79.6 23.0 31.8 82.7 35.0 249 249 A L - 0 0 12 -5,-0.4 -1,-0.4 -6,-0.3 -2,-0.2 -0.993 67.8-124.8-129.1 138.4 28.7 82.1 37.1 250 250 A K - 0 0 31 -2,-0.4 2,-0.5 -3,-0.1 3,-0.4 -0.543 18.4-128.0 -84.4 147.4 25.2 81.8 35.7 251 251 A V S S- 0 0 8 1,-0.2 -209,-0.1 -2,-0.2 -136,-0.0 -0.830 86.9 -5.0 -95.3 130.1 22.4 84.1 36.9 252 252 A S S S+ 0 0 14 -2,-0.5 -1,-0.2 1,-0.2 -210,-0.2 0.913 75.8 171.3 55.0 53.6 19.3 82.1 38.0 253 253 A C >> - 0 0 0 -3,-0.4 4,-2.5 1,-0.2 3,-0.8 -0.827 23.0-154.9 -93.3 103.3 20.3 78.5 37.0 254 254 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.868 93.2 52.1 -45.1 -46.6 17.6 76.3 38.6 255 255 A E H 3> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.878 112.0 45.9 -60.4 -39.3 19.9 73.3 38.8 256 256 A E H <> S+ 0 0 2 -3,-0.8 4,-3.0 2,-0.2 -1,-0.2 0.894 113.6 46.6 -71.7 -42.3 22.6 75.4 40.6 257 257 A I H X S+ 0 0 14 -4,-2.5 4,-2.5 2,-0.2 6,-0.3 0.913 110.8 54.2 -67.2 -39.3 20.2 77.0 43.1 258 258 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 6,-1.1 0.944 113.3 42.8 -57.9 -47.0 18.6 73.6 43.7 259 259 A F H ><5S+ 0 0 47 -4,-1.9 3,-1.9 -5,-0.2 -2,-0.2 0.968 114.2 48.6 -64.8 -52.4 22.1 72.2 44.5 260 260 A R H 3<5S+ 0 0 124 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 115.1 45.6 -59.1 -31.1 23.3 75.1 46.6 261 261 A K T 3<5S- 0 0 79 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.318 115.2-116.4 -94.2 7.7 20.0 75.1 48.6 262 262 A N T < 5S+ 0 0 115 -3,-1.9 -3,-0.2 2,-0.2 -4,-0.1 0.755 75.8 131.4 67.1 27.4 20.1 71.3 49.1 263 263 A F S - 0 0 88 -2,-0.3 4,-1.6 -3,-0.1 3,-0.3 -0.387 38.3 -84.4-104.5-174.8 22.7 66.8 46.1 266 266 A A H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.827 121.6 58.5 -60.4 -38.6 25.8 66.4 43.9 267 267 A Q H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 106.8 49.0 -59.6 -42.0 24.9 62.9 42.5 268 268 A Q H > S+ 0 0 77 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.903 110.9 50.0 -64.2 -42.6 21.7 64.3 41.1 269 269 A V H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 3,-0.3 0.948 110.7 49.4 -60.1 -50.1 23.6 67.2 39.5 270 270 A I H X S+ 0 0 88 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.905 110.5 50.9 -56.6 -43.4 26.1 64.9 38.0 271 271 A E H < S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.6 43.5 -64.2 -33.1 23.3 62.7 36.6 272 272 A L H < S+ 0 0 49 -4,-1.8 4,-0.2 -3,-0.3 -2,-0.2 0.870 114.8 49.3 -79.0 -39.0 21.6 65.8 35.1 273 273 A A H >X S+ 0 0 0 -4,-3.1 3,-2.4 -5,-0.2 4,-1.1 0.906 96.3 71.7 -66.8 -44.2 24.9 67.2 33.7 274 274 A G G >< S+ 0 0 32 -4,-2.7 3,-1.4 1,-0.3 4,-0.3 0.862 99.1 43.8 -37.8 -63.2 26.1 64.1 32.1 275 275 A P G 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.522 121.9 42.1 -65.8 -5.2 23.6 64.0 29.1 276 276 A L G X4 S+ 0 0 64 -3,-2.4 3,-2.2 -4,-0.2 6,-1.0 0.367 81.1 101.9-119.7 -1.6 24.1 67.8 28.7 277 277 A S T << + 0 0 44 -3,-1.4 6,-0.1 -4,-1.1 -3,-0.1 0.690 68.9 73.4 -58.6 -18.2 27.9 67.8 29.1 278 278 A K T 3 S+ 0 0 149 -4,-0.3 -1,-0.3 4,-0.1 2,-0.2 0.771 100.4 48.8 -67.3 -26.7 28.2 68.1 25.3 279 279 A N S <> S- 0 0 61 -3,-2.2 4,-1.7 1,-0.0 5,-0.2 -0.582 98.9-101.1-107.2 174.0 27.1 71.7 25.6 280 280 A D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.819 117.0 58.4 -64.4 -34.5 28.2 74.6 27.8 281 281 A Y H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 107.3 47.4 -63.0 -43.7 25.3 74.3 30.3 282 282 A G H > S+ 0 0 0 -6,-1.0 4,-2.0 1,-0.2 -5,-0.3 0.915 112.1 49.4 -63.1 -43.9 26.2 70.8 31.1 283 283 A K H X S+ 0 0 111 -4,-1.7 4,-2.1 -7,-0.4 -1,-0.2 0.806 107.5 56.7 -64.4 -30.7 29.8 71.7 31.5 284 284 A Y H X S+ 0 0 31 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.949 107.7 46.5 -66.4 -46.4 28.7 74.5 33.8 285 285 A L H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.862 112.8 49.9 -63.7 -37.3 26.8 72.1 36.0 286 286 A L H < S+ 0 0 69 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.879 108.7 51.1 -69.4 -39.2 29.8 69.7 36.1 287 287 A K H < S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 103.8 61.8 -64.4 -36.0 32.3 72.5 37.0 288 288 A M H < 0 0 27 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.809 360.0 360.0 -60.5 -32.9 29.9 73.4 39.8 289 289 A V < 0 0 67 -4,-0.9 -22,-0.0 -3,-0.5 -3,-0.0 -0.272 360.0 360.0-107.6 360.0 30.3 70.1 41.5 290 !* 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 0.0 291 1 B M 0 0 105 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 120.6 41.7 105.3 62.6 292 2 B K - 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0 0 34 71,-0.1 14,-0.2 1,-0.1 45,-0.1 0.097 69.9 -91.5 85.8 159.5 49.7 102.1 33.0 303 13 B S - 0 0 88 73,-0.1 -1,-0.1 13,-0.0 13,-0.0 0.813 41.2-157.1 -77.6 -31.9 50.6 101.5 29.4 304 14 B G > + 0 0 21 1,-0.1 3,-0.9 2,-0.1 7,-0.3 0.881 29.5 160.4 55.2 41.8 47.2 100.0 28.5 305 15 B T G > + 0 0 105 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.703 61.1 67.2 -67.3 -21.7 48.7 98.2 25.5 306 16 B R G 3 S+ 0 0 126 1,-0.2 214,-0.3 3,-0.0 -1,-0.2 0.769 98.0 50.8 -72.6 -25.7 45.8 95.7 25.4 307 17 B L G X S+ 0 0 2 -3,-0.9 3,-2.0 212,-0.1 4,-0.2 0.434 93.3 177.8 -91.2 0.5 43.2 98.4 24.3 308 18 B Y T < + 0 0 145 -3,-0.8 -3,-0.0 1,-0.3 -4,-0.0 -0.177 58.0 18.0 -47.8 136.7 45.5 99.6 21.5 309 19 B P T >> S+ 0 0 77 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.971 117.4 62.9 -94.9 9.7 44.9 101.8 19.6 310 20 B V H X> S+ 0 0 59 -3,-2.0 4,-0.8 1,-0.3 3,-0.6 0.882 107.9 48.7 -58.5 -33.0 42.0 103.3 21.5 311 21 B T H 34 S+ 0 0 27 -7,-0.3 -1,-0.3 -4,-0.2 5,-0.2 0.246 89.1 85.3 -91.0 15.0 44.5 104.2 24.3 312 22 B M H <4 S+ 0 0 135 -3,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.783 107.5 19.0 -84.0 -29.2 47.0 105.7 21.9 313 23 B A H << S+ 0 0 81 -3,-0.6 2,-0.4 -4,-0.5 -2,-0.2 0.579 128.8 43.5-114.9 -17.9 45.4 109.1 21.9 314 24 B V S < S- 0 0 47 -4,-0.8 -1,-0.2 0, 0.0 5,-0.1 -0.996 85.6-108.0-136.2 135.7 43.3 109.0 25.1 315 25 B S >> - 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0 0 13 -5,-0.7 -1,-0.4 -6,-0.3 2,-0.3 -0.977 67.9-122.7-134.7 147.4 19.2 106.9 38.2 540 250 B K - 0 0 8 -2,-0.3 2,-0.5 -3,-0.1 3,-0.4 -0.649 17.8-129.0 -95.4 148.8 22.9 107.3 37.3 541 251 B V S S- 0 0 2 -2,-0.3 -7,-0.0 1,-0.2 -136,-0.0 -0.839 83.8 -9.0 -97.1 129.2 25.7 104.9 38.5 542 252 B S S S+ 0 0 13 -2,-0.5 -1,-0.2 1,-0.2 -210,-0.2 0.927 76.3 167.2 53.6 51.6 28.7 106.5 40.1 543 253 B C > - 0 0 0 -3,-0.4 4,-2.3 1,-0.2 3,-0.3 -0.878 24.8-155.7 -94.8 109.1 27.8 110.1 39.4 544 254 B P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.906 91.1 55.8 -52.0 -47.5 30.3 112.1 41.7 545 255 B E H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 9,-0.1 0.925 111.1 45.4 -53.4 -45.1 28.0 115.1 41.8 546 256 B E H > S+ 0 0 2 -3,-0.3 4,-3.2 2,-0.2 5,-0.2 0.934 114.7 45.9 -64.1 -47.7 25.2 113.0 43.1 547 257 B I H X S+ 0 0 15 -4,-2.3 4,-1.5 2,-0.2 6,-0.3 0.873 111.2 52.5 -63.7 -39.3 27.3 111.0 45.7 548 258 B A H <>S+ 0 0 0 -4,-3.1 5,-3.7 -5,-0.3 6,-1.0 0.920 114.6 44.5 -63.0 -41.1 28.9 114.2 46.9 549 259 B F H ><5S+ 0 0 48 -4,-1.9 3,-1.7 -5,-0.3 -2,-0.2 0.947 112.2 48.0 -69.2 -49.9 25.4 115.6 47.4 550 260 B R H 3<5S+ 0 0 129 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.719 114.4 48.6 -65.0 -20.0 23.8 112.6 49.1 551 261 B K T 3<5S- 0 0 78 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.354 116.2-117.8 -99.2 4.4 26.7 112.3 51.4 552 262 B N T < 5S+ 0 0 139 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.799 74.2 133.9 65.1 30.8 26.5 116.0 52.2 553 263 B F S - 0 0 90 -2,-0.3 4,-1.5 -3,-0.1 3,-0.4 -0.332 36.2 -97.1 -91.8 176.2 25.0 121.5 49.1 556 266 B A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.816 121.3 59.7 -60.8 -31.6 22.2 121.7 46.5 557 267 B Q H > S+ 0 0 126 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 103.4 49.8 -65.5 -39.7 23.5 125.1 45.4 558 268 B Q H > S+ 0 0 50 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.883 110.1 52.4 -66.8 -36.3 26.9 123.7 44.4 559 269 B V H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.935 107.0 51.1 -63.1 -49.1 25.1 121.0 42.4 560 270 B I H X S+ 0 0 89 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.855 111.0 50.0 -57.2 -38.1 23.0 123.5 40.5 561 271 B E H < S+ 0 0 106 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.912 114.8 41.5 -69.8 -43.4 26.2 125.4 39.6 562 272 B L H < S+ 0 0 44 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.827 113.9 54.3 -74.0 -28.9 28.1 122.3 38.4 563 273 B A H >< S+ 0 0 0 -4,-2.8 3,-0.6 -5,-0.2 4,-0.3 0.730 89.0 80.5 -76.9 -22.3 25.0 121.0 36.6 564 274 B G G >< S+ 0 0 36 -4,-1.2 3,-1.6 1,-0.2 -1,-0.2 0.943 95.2 40.7 -48.1 -63.1 24.4 124.1 34.6 565 275 B P G 3 S+ 0 0 84 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.683 114.5 56.0 -61.4 -18.9 27.0 123.5 31.8 566 276 B L G X S+ 0 0 61 -3,-0.6 6,-2.3 -4,-0.4 3,-1.0 0.277 75.6 96.4 -99.1 9.9 26.0 119.8 31.7 567 277 B S T < + 0 0 43 -3,-1.6 -1,-0.2 5,-0.3 -3,-0.1 0.388 56.4 89.4 -82.8 5.7 22.3 120.3 31.0 568 278 B K T 3 S+ 0 0 167 -3,-0.4 2,-0.3 -4,-0.1 -1,-0.2 0.592 101.9 23.2 -75.0 -10.3 22.7 119.8 27.2 569 279 B N S X> S- 0 0 84 -3,-1.0 4,-1.5 1,-0.0 3,-0.6 -0.855 104.9 -80.7-143.1 178.7 22.1 116.1 27.9 570 280 B D H 3> S+ 0 0 84 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.840 114.0 72.4 -53.7 -37.7 20.6 113.9 30.6 571 281 B Y H 3> S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 105.8 34.0 -44.8 -56.3 23.6 114.2 32.9 572 282 B G H <> S+ 0 0 0 -6,-2.3 4,-2.0 -3,-0.6 -5,-0.3 0.869 116.6 54.0 -72.2 -36.8 23.0 117.7 34.0 573 283 B K H X S+ 0 0 114 -4,-1.5 4,-2.4 -7,-0.5 5,-0.2 0.868 105.6 57.5 -65.3 -32.1 19.2 117.5 33.8 574 284 B Y H X S+ 0 0 22 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.948 106.4 46.0 -61.2 -51.7 19.5 114.5 36.1 575 285 B L H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.871 110.6 55.4 -60.8 -37.1 21.4 116.5 38.8 576 286 B L H >< S+ 0 0 69 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.951 110.5 43.1 -61.5 -49.9 18.9 119.3 38.5 577 287 B K H 3< S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 106.6 64.2 -64.4 -34.1 15.9 117.0 39.2 578 288 B M H 3< 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.851 360.0 360.0 -57.6 -37.1 17.9 115.4 42.0 579 289 B V << 0 0 65 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.1 -0.304 360.0 360.0 -98.7 360.0 17.9 118.7 43.9