==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-SEP-04 1XET . COMPND 2 MOLECULE: DIHYDROPINOSYLVIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PINUS SYLVESTRIS; . AUTHOR S.H.NG,D.CHIRGADZE,D.SPITELLER,T.L.LI,J.B.SPENCER, . 1540 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1131 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 229 14.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 82 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 480 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.8 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 4 3 5 2 7 5 7 1 0 2 2 6 0 4 0 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 4 4 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 . 4 6 6 0 0 4 5 7 4 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 . 4 4 0 0 0 0 0 4 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 6 A F >> 0 0 93 0, 0.0 3,-1.8 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 18.4 13.9 67.9 140.0 2 7 A E T 34 - 0 0 108 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.420 360.0 -6.7 -60.3 118.2 14.7 71.6 140.2 3 8 A G T 3> S+ 0 0 41 -2,-0.3 4,-2.1 1,-0.1 -1,-0.3 0.470 100.2 118.6 74.7 1.0 17.9 72.1 138.2 4 9 A F H <> S+ 0 0 44 -3,-1.8 4,-1.9 2,-0.2 -2,-0.1 0.919 77.1 45.5 -65.0 -44.8 18.4 68.3 137.7 5 10 A R H X S+ 0 0 12 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.908 112.1 52.9 -64.9 -42.0 18.2 68.6 133.9 6 11 A K H 4 S+ 0 0 127 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 113.6 41.7 -62.4 -40.3 20.5 71.6 133.9 7 12 A L H < S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 108.9 61.0 -77.1 -27.5 23.2 69.8 135.9 8 13 A Q H < S+ 0 0 31 -4,-1.9 172,-3.0 -5,-0.2 -2,-0.2 0.850 99.3 64.4 -67.3 -36.6 22.8 66.6 134.0 9 14 A R S < S- 0 0 9 -4,-1.6 169,-0.2 170,-0.3 2,-0.2 -0.364 84.7-110.5 -88.4 168.3 23.7 68.1 130.7 10 15 A A - 0 0 1 167,-2.5 170,-0.1 170,-0.1 -1,-0.1 -0.481 15.8-137.7 -92.9 167.2 27.0 69.6 129.4 11 16 A D + 0 0 88 -2,-0.2 -1,-0.1 2,-0.1 166,-0.1 0.910 69.9 36.1 -94.8 -50.0 27.7 73.3 128.7 12 17 A G S S- 0 0 26 1,-0.2 2,-0.1 381,-0.0 -2,-0.1 -0.170 93.7 -60.3 -98.4-167.5 29.7 73.7 125.5 13 18 A F - 0 0 16 1,-0.1 212,-0.4 211,-0.1 -1,-0.2 -0.427 56.6-102.9 -72.4 145.1 30.1 72.1 122.1 14 19 A A E -A 237 0A 0 223,-0.5 223,-2.7 210,-0.2 2,-0.4 -0.469 48.2-160.6 -63.9 137.2 31.1 68.5 121.8 15 20 A S E -AB 236 223A 0 208,-1.9 208,-2.1 221,-0.2 2,-0.6 -0.969 23.9-120.7-130.6 143.3 34.8 68.5 120.8 16 21 A I E +AB 235 222A 0 219,-2.5 218,-2.4 -2,-0.4 219,-0.9 -0.703 31.0 178.0 -78.1 118.6 37.2 66.0 119.3 17 22 A L E + 0 0 3 204,-3.5 215,-0.4 -2,-0.6 2,-0.3 0.446 63.3 2.4-102.2 -4.4 39.9 65.6 121.9 18 23 A A E - B 0 221A 0 203,-0.7 203,-1.4 213,-0.1 2,-0.4 -0.913 55.1-155.2-176.5 150.3 42.0 63.0 120.1 19 24 A I E + B 0 220A 5 -2,-0.3 2,-0.4 201,-0.2 201,-0.2 -0.980 15.4 176.6-139.4 123.6 42.2 61.0 116.9 20 25 A G E - B 0 219A 3 199,-2.9 199,-2.7 -2,-0.4 2,-0.3 -0.957 5.7-170.2-127.2 145.6 44.0 57.7 116.5 21 26 A T E - B 0 218A 25 -2,-0.4 2,-0.3 197,-0.2 197,-0.2 -0.943 5.3-179.8-134.8 157.7 44.2 55.5 113.4 22 27 A A E - B 0 217A 2 195,-2.4 195,-2.6 -2,-0.3 85,-0.1 -0.987 2.7-174.1-152.8 155.8 45.3 52.0 112.6 23 28 A N - 0 0 31 -2,-0.3 193,-0.1 193,-0.2 44,-0.1 -0.979 41.3 -85.7-148.8 157.4 45.6 49.6 109.5 24 29 A P - 0 0 4 0, 0.0 2,-2.1 0, 0.0 43,-0.1 -0.399 47.2-115.0 -62.8 141.0 46.5 46.0 108.9 25 30 A P S S+ 0 0 129 0, 0.0 2,-0.3 0, 0.0 43,-0.0 -0.178 89.4 97.1 -75.0 49.3 50.3 45.8 108.5 26 31 A N - 0 0 52 -2,-2.1 41,-2.4 2,-0.0 2,-0.4 -0.706 56.5-164.7-141.2 86.6 50.0 44.8 104.8 27 32 A A E -I 66 0B 50 -2,-0.3 2,-0.6 39,-0.2 39,-0.2 -0.579 8.1-160.3 -73.7 125.3 50.4 47.6 102.3 28 33 A V E -I 65 0B 20 37,-2.9 37,-1.9 -2,-0.4 2,-0.3 -0.936 13.6-133.6-111.3 117.1 49.2 46.4 98.9 29 34 A D E > -I 64 0B 87 -2,-0.6 3,-0.6 35,-0.2 35,-0.2 -0.520 4.1-151.4 -73.9 131.9 50.4 48.4 95.9 30 35 A Q G > S+ 0 0 8 33,-2.1 3,-1.0 -2,-0.3 -1,-0.1 0.828 91.5 66.4 -68.8 -35.2 47.7 49.4 93.4 31 36 A S G 3 S+ 0 0 107 32,-0.5 -1,-0.2 1,-0.3 33,-0.1 0.785 114.0 31.0 -58.7 -28.9 50.1 49.5 90.4 32 37 A T G <> S+ 0 0 89 -3,-0.6 4,-1.5 1,-0.1 -1,-0.3 0.295 94.6 95.9-112.7 8.2 50.6 45.7 90.7 33 38 A Y H <> S+ 0 0 2 -3,-1.0 4,-3.3 -4,-0.2 5,-0.3 0.886 72.5 62.6 -69.6 -40.3 47.2 44.7 92.1 34 39 A P H > S+ 0 0 7 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.915 108.9 42.2 -52.5 -45.3 45.5 43.7 88.8 35 40 A D H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.945 117.6 46.2 -67.2 -47.9 47.9 40.8 88.2 36 41 A F H X S+ 0 0 48 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.960 114.0 48.5 -56.9 -54.9 47.9 39.7 91.9 37 42 A Y H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.903 114.4 43.1 -54.8 -49.6 44.1 39.9 92.2 38 43 A F H <>S+ 0 0 0 -4,-2.2 5,-3.4 -5,-0.3 6,-0.5 0.799 116.7 49.6 -71.2 -25.5 43.4 37.9 89.0 39 44 A R H ><5S+ 0 0 124 -4,-1.9 3,-1.8 -5,-0.2 5,-0.2 0.966 110.6 46.8 -74.1 -54.3 46.1 35.4 89.8 40 45 A I H 3<5S+ 0 0 24 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.758 114.2 48.6 -61.3 -25.1 45.0 34.7 93.3 41 46 A T T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.467 116.5-114.1 -94.2 -0.6 41.4 34.3 92.3 42 47 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.843 84.7 113.6 74.6 36.4 42.3 32.0 89.4 43 48 A N > < + 0 0 46 -5,-3.4 3,-1.7 -6,-0.2 -4,-0.2 0.023 25.3 128.6-125.3 27.2 41.3 34.2 86.5 44 49 A E T 3 S+ 0 0 48 -6,-0.5 808,-0.1 1,-0.3 -5,-0.1 0.796 72.1 54.5 -53.4 -34.6 44.7 34.9 85.0 45 50 A H T 3 S+ 0 0 113 1,-0.2 2,-2.1 -7,-0.1 -1,-0.3 0.638 81.7 90.7 -78.1 -14.2 43.6 33.9 81.5 46 51 A N <> + 0 0 11 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 -0.455 51.4 166.5 -83.2 69.4 40.6 36.3 81.4 47 52 A T H > + 0 0 6 -2,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.867 69.1 52.4 -52.8 -46.4 42.6 39.1 79.8 48 53 A E H > S+ 0 0 14 812,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.920 111.7 46.1 -61.4 -42.2 39.7 41.3 78.9 49 54 A L H > S+ 0 0 3 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.882 113.6 50.1 -67.6 -35.7 38.2 41.2 82.4 50 55 A K H X S+ 0 0 42 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.879 107.9 53.3 -69.3 -36.3 41.7 41.9 83.8 51 56 A D H X S+ 0 0 64 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.858 106.4 51.5 -67.2 -35.7 42.2 44.9 81.4 52 57 A K H X S+ 0 0 45 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.910 112.9 47.2 -65.0 -39.6 38.9 46.4 82.5 53 58 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.916 108.6 52.9 -67.4 -43.4 40.1 46.1 86.1 54 59 A K H X S+ 0 0 51 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.928 108.6 53.0 -54.9 -46.0 43.6 47.5 85.3 55 60 A R H X S+ 0 0 152 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.910 109.7 46.6 -55.6 -48.2 41.7 50.5 83.8 56 61 A I H X S+ 0 0 42 -4,-1.9 4,-0.7 2,-0.2 3,-0.4 0.932 114.5 46.4 -63.6 -46.9 39.7 51.0 87.0 57 62 A C H >< S+ 0 0 5 -4,-2.8 3,-1.0 1,-0.2 5,-0.5 0.920 109.7 54.6 -62.1 -44.1 42.8 50.7 89.2 58 63 A E H 3< S+ 0 0 153 -4,-3.1 3,-0.2 1,-0.2 -1,-0.2 0.771 114.4 40.2 -61.9 -27.1 44.8 53.0 87.0 59 64 A R H 3< S+ 0 0 50 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.431 91.7 89.2-102.0 0.9 42.2 55.8 87.2 60 65 A S S << S- 0 0 5 -3,-1.0 245,-0.4 -4,-0.7 -1,-0.1 0.725 83.7-137.3 -70.5 -23.2 41.3 55.3 90.9 61 66 A A + 0 0 49 -4,-0.4 2,-0.5 1,-0.3 272,-0.1 0.865 63.2 129.0 64.6 35.0 44.0 57.7 92.2 62 67 A I - 0 0 7 -5,-0.5 -1,-0.3 1,-0.1 268,-0.2 -0.987 37.7-176.8-122.1 115.6 44.8 55.2 94.9 63 68 A K - 0 0 53 267,-1.5 -33,-2.1 -2,-0.5 -32,-0.5 0.790 67.9 -5.8 -83.5 -29.3 48.5 54.3 95.2 64 69 A Q E -I 29 0B 35 266,-1.7 2,-0.3 -35,-0.2 -1,-0.3 -0.994 52.6-156.8-162.1 160.2 48.0 51.7 97.9 65 70 A R E -I 28 0B 4 -37,-1.9 -37,-2.9 -2,-0.3 2,-0.5 -0.998 22.3-127.4-142.2 140.4 45.6 50.0 100.3 66 71 A Y E -I 27 0B 47 149,-0.4 149,-2.3 266,-0.4 2,-0.4 -0.769 32.0-167.4 -89.6 130.0 46.3 48.1 103.6 67 72 A M - 0 0 4 -41,-2.4 124,-0.1 -2,-0.5 147,-0.0 -0.966 30.7-162.3-130.8 127.2 44.7 44.7 103.6 68 73 A Y S S+ 0 0 38 -2,-0.4 2,-0.3 -44,-0.1 5,-0.2 0.922 80.4 83.4 -61.3 -46.6 44.0 42.1 106.3 69 74 A L - 0 0 4 4,-0.1 2,-0.2 3,-0.1 -2,-0.1 -0.440 65.2-177.3 -64.5 123.7 43.6 39.5 103.6 70 75 A T > - 0 0 46 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.722 43.6-101.8-116.8 169.2 47.0 38.1 102.5 71 76 A E H > S+ 0 0 66 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.907 124.0 52.2 -57.5 -39.4 48.0 35.6 99.9 72 77 A E H > S+ 0 0 73 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.964 110.7 45.1 -60.8 -53.8 48.3 33.0 102.7 73 78 A I H 4 S+ 0 0 41 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.888 114.4 48.9 -58.2 -42.2 44.9 33.7 104.2 74 79 A L H >< S+ 0 0 3 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.821 107.5 55.2 -68.7 -30.4 43.2 33.6 100.8 75 80 A K H 3< S+ 0 0 129 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.754 109.5 47.1 -73.4 -23.6 45.0 30.4 99.9 76 81 A K T 3< S+ 0 0 74 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.453 115.4 49.5 -93.6 -2.9 43.6 28.8 103.0 77 82 A N X> + 0 0 41 -3,-0.6 3,-1.4 -4,-0.3 4,-0.7 -0.534 60.2 163.2-135.8 67.7 40.1 30.2 102.1 78 83 A P H >> S+ 0 0 85 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.851 73.6 65.2 -52.7 -39.8 39.4 29.3 98.4 79 84 A D H >4 S+ 0 0 82 1,-0.3 3,-0.6 2,-0.2 7,-0.2 0.791 96.3 55.7 -56.8 -31.1 35.7 30.1 98.9 80 85 A V H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 118,-0.2 0.744 102.7 57.6 -74.6 -21.8 36.5 33.7 99.5 81 86 A C H << S+ 0 0 13 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.599 92.4 86.0 -83.4 -12.2 38.3 33.8 96.2 82 87 A A S << S- 0 0 14 -4,-0.6 116,-2.3 -3,-0.6 -40,-0.0 -0.282 77.6-133.3 -79.0 170.7 35.2 32.7 94.3 83 88 A F S S- 0 0 31 114,-0.2 -1,-0.1 116,-0.1 117,-0.1 0.890 74.1 -48.2 -88.1 -75.0 32.5 35.2 93.2 84 89 A V S S+ 0 0 63 113,-0.1 176,-0.0 3,-0.0 4,-0.0 0.221 104.5 107.8-146.2 14.5 29.2 33.5 94.3 85 90 A E S S+ 0 0 136 1,-0.1 -6,-0.0 -6,-0.1 174,-0.0 0.680 90.0 25.2 -72.0 -15.7 29.4 29.9 93.1 86 91 A V S S- 0 0 51 -7,-0.2 -1,-0.1 173,-0.1 -4,-0.1 -0.983 92.5 -97.0-144.5 152.8 29.9 28.7 96.7 87 92 A P + 0 0 56 0, 0.0 172,-0.3 0, 0.0 171,-0.1 -0.303 38.9 162.7 -69.4 155.7 29.0 30.1 100.2 88 93 A S > + 0 0 4 170,-2.1 4,-2.1 -8,-0.1 171,-0.2 0.308 41.9 104.3-153.7 3.7 31.6 32.0 102.2 89 94 A L H > S+ 0 0 1 169,-2.4 4,-3.1 1,-0.2 5,-0.2 0.961 81.7 51.9 -57.8 -54.7 29.7 34.0 104.9 90 95 A D H > S+ 0 0 61 168,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.888 111.6 47.0 -50.1 -46.3 30.6 31.7 107.8 91 96 A A H > S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 113.6 48.5 -64.4 -40.6 34.3 31.9 106.9 92 97 A R H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.905 105.8 57.4 -67.1 -40.3 34.1 35.7 106.6 93 98 A Q H X S+ 0 0 6 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.893 105.3 52.0 -57.4 -39.3 32.3 36.0 109.9 94 99 A A H X S+ 0 0 54 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.901 110.3 47.7 -63.9 -41.5 35.2 34.2 111.6 95 100 A M H >X S+ 0 0 8 -4,-1.5 4,-3.1 1,-0.2 3,-0.6 0.939 113.1 48.3 -64.3 -46.3 37.7 36.7 110.1 96 101 A L H 3X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.902 103.1 61.0 -60.3 -45.0 35.6 39.7 111.1 97 102 A A H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.824 118.0 30.7 -52.5 -34.1 35.2 38.4 114.6 98 103 A M H S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.841 113.1 56.6 -67.0 -30.0 37.9 44.3 117.1 102 107 A R H X S+ 0 0 139 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.929 110.6 40.3 -65.7 -50.5 41.7 44.1 116.6 103 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.904 115.3 54.1 -65.4 -39.9 42.0 47.2 114.4 104 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.927 109.2 47.9 -59.4 -45.5 39.5 49.0 116.6 105 110 A K H X S+ 0 0 71 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.940 111.3 50.2 -60.7 -49.2 41.5 48.2 119.7 106 111 A E H X S+ 0 0 49 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.909 113.9 43.8 -56.9 -46.9 44.8 49.4 118.0 107 112 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 112,-0.2 0.861 112.2 53.9 -68.3 -36.1 43.3 52.7 116.9 108 113 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 -2,-0.2 0.874 104.6 53.8 -67.3 -37.3 41.5 53.3 120.2 109 114 A E H X S+ 0 0 91 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.872 108.4 50.3 -65.7 -35.4 44.7 52.9 122.2 110 115 A K H X S+ 0 0 114 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.943 112.9 45.5 -67.4 -45.0 46.4 55.5 120.1 111 116 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.928 114.0 49.3 -62.7 -44.9 43.5 57.9 120.6 112 117 A I H X>S+ 0 0 24 -4,-3.0 4,-1.7 1,-0.2 5,-0.6 0.896 110.1 51.0 -61.6 -40.8 43.5 57.2 124.3 113 118 A Q H <5S+ 0 0 155 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.902 112.1 46.8 -64.2 -41.7 47.2 57.7 124.6 114 119 A E H <5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 107.6 55.5 -64.3 -49.5 47.0 61.1 122.9 115 120 A W H <5S- 0 0 12 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.857 96.7-151.9 -51.5 -37.5 44.0 62.1 125.0 116 121 A G T <5 + 0 0 52 -4,-1.7 2,-0.3 1,-0.2 -3,-0.1 0.644 51.3 112.0 74.4 16.4 46.3 61.4 128.0 117 122 A Q S - 0 0 73 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.417 29.6-128.8 -67.1 141.6 42.7 57.2 132.2 119 124 A K G > S+ 0 0 93 1,-0.3 3,-1.5 2,-0.2 30,-0.3 0.638 103.7 80.2 -66.0 -11.0 40.3 55.0 130.2 120 125 A S G 3 S+ 0 0 62 1,-0.3 -1,-0.3 28,-0.1 -2,-0.0 0.721 85.8 60.7 -66.7 -18.6 38.4 54.9 133.5 121 126 A G G < S+ 0 0 33 -3,-2.1 2,-0.5 61,-0.0 -1,-0.3 0.564 76.5 106.7 -84.7 -9.9 37.0 58.3 132.4 122 127 A I < + 0 0 4 -3,-1.5 27,-0.2 -4,-0.2 62,-0.2 -0.598 40.5 173.5 -73.4 121.9 35.5 57.0 129.2 123 128 A T + 0 0 44 60,-1.8 30,-2.6 -2,-0.5 2,-0.3 0.696 58.1 32.3-102.1 -24.9 31.7 57.0 129.8 124 129 A H E -cd 153 184A 7 59,-1.6 61,-2.9 28,-0.2 2,-0.4 -0.935 55.7-160.8-135.3 158.6 30.4 56.1 126.3 125 130 A L E -cd 154 185A 0 28,-2.6 30,-1.7 -2,-0.3 2,-0.6 -0.970 2.3-172.3-142.0 121.6 31.4 54.0 123.3 126 131 A I E -cd 155 186A 0 59,-2.7 61,-2.8 -2,-0.4 2,-0.5 -0.970 16.5-172.3-112.6 114.5 30.0 54.4 119.7 127 132 A F E -cd 156 187A 0 28,-2.6 30,-3.5 -2,-0.6 2,-0.4 -0.946 2.7-173.3-116.1 129.1 31.3 51.6 117.6 128 133 A C E +cd 157 188A 2 59,-3.1 61,-2.6 -2,-0.5 2,-0.3 -0.954 15.1 150.5-125.6 137.6 30.8 51.4 113.8 129 134 A S E -c 158 0A 4 28,-1.7 30,-0.8 -2,-0.4 31,-0.3 -0.955 53.5-111.9-156.7 147.9 31.5 48.7 111.2 130 135 A T S S- 0 0 21 59,-0.3 29,-1.7 -2,-0.3 2,-0.3 0.889 100.4 -5.4 -51.2 -41.3 29.8 47.8 107.9 131 136 A T - 0 0 9 27,-0.2 -1,-0.1 28,-0.1 26,-0.1 -0.921 60.3-150.7-146.2 169.5 28.7 44.5 109.5 132 137 A T - 0 0 3 -2,-0.3 -39,-0.1 1,-0.1 512,-0.1 -0.979 14.4-142.1-145.5 133.9 29.1 42.6 112.8 133 138 A P + 0 0 9 0, 0.0 511,-2.7 0, 0.0 2,-0.2 0.758 69.3 7.8 -69.8 -30.8 28.9 38.7 112.9 134 139 A D E S-J 643 0C 33 2,-0.3 509,-0.2 509,-0.2 4,-0.1 -0.585 81.0 -67.8-136.6-165.0 27.1 38.1 116.2 135 140 A L E S+J 642 0C 12 507,-2.2 507,-2.2 -2,-0.2 2,-0.2 -0.981 111.7 51.2-135.0 121.3 25.3 39.3 119.3 136 141 A P S S- 0 0 25 0, 0.0 -2,-0.3 0, 0.0 412,-0.1 0.520 103.2-130.0 -61.2 159.5 26.8 40.9 121.2 137 142 A G >> - 0 0 4 410,-0.3 3,-1.5 -2,-0.2 4,-0.9 -0.214 31.2 -90.3 -74.6 174.4 28.0 43.2 118.4 138 143 A A H 3> S+ 0 0 9 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.701 120.5 75.6 -61.2 -20.0 31.7 44.0 118.0 139 144 A D H 3> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.871 96.2 49.4 -59.5 -35.8 31.1 47.1 120.3 140 145 A F H <> S+ 0 0 16 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.956 111.4 46.9 -66.9 -51.9 31.0 44.6 123.2 141 146 A E H X S+ 0 0 58 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.872 111.7 51.2 -59.5 -39.6 34.2 42.8 122.2 142 147 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.920 109.0 50.0 -65.1 -43.5 36.1 46.0 121.6 143 148 A A H X>S+ 0 0 11 -4,-1.8 5,-2.4 -5,-0.2 4,-0.6 0.904 112.0 49.2 -60.1 -43.0 35.2 47.4 125.1 144 149 A K H ><5S+ 0 0 119 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.931 109.8 50.5 -62.8 -46.9 36.3 44.1 126.6 145 150 A L H 3<5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 111.6 48.5 -60.6 -35.3 39.6 44.2 124.7 146 151 A L H 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.549 109.8-124.7 -82.6 -8.1 40.2 47.8 125.9 147 152 A G T <<5 + 0 0 43 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.820 47.5 172.7 68.7 30.7 39.4 46.9 129.5 148 153 A L < - 0 0 16 -5,-2.4 -1,-0.2 -6,-0.2 -28,-0.1 -0.340 42.6 -86.2 -70.6 153.9 36.8 49.5 129.7 149 154 A H > - 0 0 98 -30,-0.3 3,-1.7 -27,-0.2 -1,-0.1 -0.259 34.6-122.2 -57.8 145.4 34.5 49.7 132.7 150 155 A P T 3 S+ 0 0 70 0, 0.0 482,-0.2 0, 0.0 -1,-0.1 0.784 110.1 62.5 -61.2 -27.8 31.4 47.4 132.5 151 156 A S T 3 S+ 0 0 58 480,-0.2 479,-0.5 2,-0.1 2,-0.1 0.429 71.3 126.8 -80.2 1.2 29.2 50.5 133.0 152 157 A V < - 0 0 3 -3,-1.7 2,-0.7 1,-0.1 -28,-0.2 -0.411 65.9-122.7 -60.3 131.1 30.4 52.1 129.7 153 158 A K E -c 124 0A 42 -30,-2.6 -28,-2.6 -2,-0.1 2,-0.2 -0.694 34.4-162.5 -83.4 112.9 27.3 53.0 127.7 154 159 A R E +c 125 0A 7 -2,-0.7 2,-0.3 -30,-0.2 -28,-0.2 -0.641 20.1 177.7-101.1 152.0 27.6 51.3 124.3 155 160 A V E -c 126 0A 2 -30,-1.7 -28,-2.6 -2,-0.2 2,-0.4 -0.939 16.0-152.1-149.0 123.5 25.9 51.8 120.9 156 161 A G E -c 127 0A 0 -2,-0.3 2,-0.7 -30,-0.2 390,-0.4 -0.856 0.4-158.1-102.5 136.5 26.8 49.8 117.8 157 162 A V E +c 128 0A 0 -30,-3.5 -28,-1.7 -2,-0.4 2,-0.3 -0.880 25.6 168.8-115.3 97.7 26.3 51.3 114.3 158 163 A F E +c 129 0A 0 -2,-0.7 -28,-0.2 386,-0.4 -27,-0.2 -0.850 52.6 8.1-117.5 149.4 26.1 48.5 111.8 159 164 A Q S S+ 0 0 4 -29,-1.7 366,-0.2 -30,-0.8 -1,-0.2 0.773 86.9 113.4 56.7 34.0 25.1 48.2 108.1 160 165 A H - 0 0 4 -31,-0.3 2,-0.3 -3,-0.2 3,-0.3 0.827 61.9-162.2 -94.3 -47.1 24.9 52.0 107.7 161 166 A G > - 0 0 4 1,-0.2 3,-1.6 211,-0.1 -1,-0.2 -0.706 42.3 -10.2 109.3-157.7 27.9 52.1 105.3 162 167 A C T 3 S+ 0 0 23 -2,-0.3 209,-0.5 1,-0.3 3,-0.4 0.593 125.0 60.0 -63.2 -14.6 30.3 54.6 104.0 163 168 A F T >> S+ 0 0 3 -3,-0.3 3,-2.2 207,-0.3 4,-1.3 0.645 77.7 91.1 -89.9 -12.2 28.4 57.6 105.4 164 169 A A H <> + 0 0 0 -3,-1.6 4,-2.7 1,-0.3 5,-0.2 0.603 67.4 75.9 -59.5 -15.3 28.7 56.4 109.0 165 170 A G H 3> S+ 0 0 1 -3,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.855 106.7 36.9 -64.0 -31.4 31.9 58.4 109.5 166 171 A G H X> S+ 0 0 0 -3,-2.2 4,-2.2 2,-0.2 3,-0.7 0.880 111.9 60.3 -83.4 -41.1 29.6 61.4 109.7 167 172 A T H 3X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.891 102.2 51.5 -52.8 -46.5 26.8 59.5 111.5 168 173 A V H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.803 109.6 49.9 -65.2 -28.5 29.0 58.7 114.5 169 174 A L H < S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 48,-0.4 0.905 118.2 43.5 -66.9 -43.1 28.7 64.5 124.7 177 182 A E H 3< S+ 0 0 1 -4,-2.3 -167,-2.5 -5,-0.3 -1,-0.2 0.808 113.5 49.5 -75.6 -29.5 26.6 67.7 125.0 178 183 A N T 3< S+ 0 0 0 -4,-2.0 2,-0.4 -169,-0.2 -1,-0.2 0.410 106.6 61.5 -91.7 5.1 23.6 66.2 126.9 179 184 A N S X S- 0 0 30 -3,-0.6 3,-2.0 -4,-0.4 -170,-0.3 -0.906 81.6-132.5-136.7 107.6 25.8 64.5 129.5 180 185 A R T 3 S+ 0 0 102 -172,-3.0 -170,-0.1 -2,-0.4 -3,-0.1 -0.323 92.9 6.6 -59.4 129.8 28.0 66.5 131.9 181 186 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 43,-0.2 -58,-0.1 0.336 91.5 153.3 80.1 -7.2 31.5 65.0 132.1 182 187 A A < - 0 0 3 -3,-2.0 42,-0.5 -6,-0.3 2,-0.4 -0.259 25.8-169.4 -59.1 138.9 30.8 62.5 129.3 183 188 A R - 0 0 19 -62,-0.2 -60,-1.8 40,-0.1 -59,-1.6 -0.943 10.7-157.1-132.9 107.5 33.8 61.3 127.3 184 189 A V E -dE 124 222A 0 38,-3.4 38,-2.9 -2,-0.4 2,-0.6 -0.776 9.6-151.4 -97.0 123.9 32.8 59.3 124.3 185 190 A L E -dE 125 221A 0 -61,-2.9 -59,-2.7 -2,-0.5 2,-0.5 -0.808 19.2-166.7 -89.0 121.0 35.1 56.8 122.5 186 191 A V E +dE 126 220A 0 34,-2.6 34,-2.8 -2,-0.6 2,-0.4 -0.949 8.6 179.8-113.5 126.3 34.1 56.8 118.9 187 192 A I E -dE 127 219A 0 -61,-2.8 -59,-3.1 -2,-0.5 2,-0.5 -0.992 18.2-174.7-135.8 134.7 35.4 54.0 116.7 188 193 A C E +dE 128 218A 0 30,-2.3 30,-2.6 -2,-0.4 2,-0.4 -0.995 13.7 178.5-122.9 121.6 35.0 53.0 113.0 189 194 A S E + E 0 217A 0 -61,-2.6 2,-0.3 -2,-0.5 -59,-0.3 -0.976 4.1 172.5-131.8 120.7 36.7 49.7 112.0 190 195 A E E + E 0 216A 7 26,-2.7 26,-2.4 -2,-0.4 2,-0.3 -0.956 8.2 173.1-132.0 145.1 36.4 48.3 108.5 191 196 A T > - 0 0 9 -2,-0.3 3,-1.2 24,-0.2 4,-0.2 -0.988 35.2-134.1-150.6 140.7 38.0 45.4 106.5 192 197 A T T 3> S+ 0 0 9 -2,-0.3 4,-3.1 1,-0.3 3,-0.4 0.359 83.9 102.3 -74.9 6.6 37.4 44.0 103.1 193 198 A A T 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -98,-0.1 0.814 87.1 44.9 -58.4 -25.9 37.4 40.5 104.6 194 199 A V T <4 S+ 0 0 8 -3,-1.2 67,-1.5 1,-0.1 -1,-0.2 0.693 123.1 31.2 -92.3 -19.4 33.6 40.8 104.2 195 200 A T T 4 S+ 0 0 17 -3,-0.4 -2,-0.2 -4,-0.2 68,-0.1 0.619 85.9 109.6-113.5 -19.1 33.5 42.2 100.6 196 201 A F < + 0 0 1 -4,-3.1 2,-0.3 66,-0.1 65,-0.1 -0.371 40.7 140.5 -62.6 136.0 36.5 40.8 98.8 197 202 A R - 0 0 2 -116,-0.1 -114,-0.2 9,-0.1 -116,-0.2 -0.974 52.1 -68.3-166.5 166.8 35.6 38.1 96.2 198 203 A G - 0 0 2 -116,-2.3 -116,-0.1 -2,-0.3 2,-0.1 -0.116 58.6 -94.0 -60.9 160.9 36.5 36.9 92.7 199 204 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.406 35.4-166.4 -77.8 154.5 35.8 39.1 89.6 200 205 A S > - 0 0 18 3,-0.3 3,-1.9 -2,-0.1 7,-0.2 -0.962 21.3-150.4-144.8 122.6 32.7 38.7 87.5 201 206 A E T 3 S+ 0 0 50 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.702 102.0 56.1 -65.8 -17.2 32.0 40.1 84.0 202 207 A T T 3 S+ 0 0 57 1,-0.2 -1,-0.3 1042,-0.1 3,-0.1 0.316 110.4 45.2 -96.0 7.5 28.3 40.3 84.8 203 208 A H X> + 0 0 78 -3,-1.9 4,-1.2 1,-0.1 3,-0.8 -0.415 59.5 157.1-147.0 63.7 29.0 42.5 87.9 204 209 A L H 3> S+ 0 0 54 1039,-0.4 4,-1.6 -3,-0.4 5,-0.1 0.720 73.1 65.8 -63.4 -21.8 31.5 45.1 86.9 205 210 A D H 3> S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.901 99.7 49.9 -68.0 -38.5 30.2 47.3 89.8 206 211 A S H <> S+ 0 0 8 -3,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.879 105.2 60.3 -64.7 -34.4 31.6 44.7 92.2 207 212 A L H X S+ 0 0 1 -4,-1.2 4,-0.8 -7,-0.2 -1,-0.2 0.907 100.9 52.7 -58.5 -43.2 34.8 44.9 90.2 208 213 A V H >X S+ 0 0 44 -4,-1.6 4,-1.2 1,-0.2 3,-0.9 0.901 106.6 52.8 -60.5 -41.2 35.1 48.7 91.0 209 214 A G H 3X S+ 0 0 1 -4,-1.5 4,-2.3 1,-0.3 3,-0.3 0.859 102.5 58.9 -62.7 -35.2 34.7 47.9 94.7 210 215 A Q H 3< S+ 0 0 8 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.708 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186A 0 -34,-2.8 -34,-2.6 -2,-0.4 2,-0.5 -0.905 21.9-143.5-130.6 157.6 38.1 59.5 118.6 221 226 A I E -BE 18 185A 0 -203,-1.4 -204,-3.5 -2,-0.3 -203,-0.7 -0.997 27.9-171.8-119.1 118.9 37.6 60.8 122.1 222 227 A V E +BE 16 184A 0 -38,-2.9 -38,-3.4 -2,-0.5 2,-0.3 -0.958 17.0 140.4-118.1 133.2 34.7 63.2 122.0 223 228 A G E -B 15 0A 0 -208,-2.1 -208,-1.9 -2,-0.4 2,-0.2 -0.977 39.3-125.9-165.4 152.9 33.6 65.4 124.9 224 229 A A S S+ 0 0 2 -42,-0.5 -43,-0.2 -48,-0.4 -210,-0.2 -0.602 87.5 30.6 -96.7 163.6 32.3 68.9 125.8 225 230 A D S S- 0 0 55 -212,-0.4 -1,-0.2 -2,-0.2 -211,-0.1 0.957 81.5-153.4 56.7 56.6 33.9 71.2 128.3 226 231 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.290 24.1-100.5 -61.9 147.9 37.5 70.0 127.8 227 232 A I >> - 0 0 79 1,-0.1 4,-2.8 2,-0.1 3,-2.2 -0.556 40.3-111.8 -73.8 120.4 39.7 70.5 130.9 228 233 A P T 34 S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.206 96.4 -3.2 -51.4 135.7 42.0 73.6 130.5 229 234 A Q T 34 S+ 0 0 195 2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.516 131.6 67.2 57.1 6.0 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46.4 -62.3 -29.0 50.9 23.6 72.3 817 44 C R H ><5S+ 0 0 136 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.2 0.842 112.3 48.1 -84.2 -32.6 53.4 25.4 74.5 818 45 C I H 3<5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.734 112.5 50.9 -77.1 -20.8 52.1 28.9 73.9 819 46 C T T 3<5S- 0 0 19 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.451 118.6-116.4 -91.5 -3.2 48.6 27.6 74.5 820 47 C G T < 5S+ 0 0 64 -3,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.824 71.4 129.7 72.3 33.2 49.8 26.1 77.7 821 48 C N < + 0 0 58 -5,-4.0 2,-0.3 -6,-0.2 -1,-0.2 -0.769 34.3 176.7-121.1 164.5 49.1 22.5 76.6 822 49 C E + 0 0 149 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.858 29.8 115.5-164.4 124.0 50.9 19.2 76.4 823 50 C H 0 0 124 -2,-0.3 -2,-0.0 0, 0.0 -7,-0.0 -0.465 360.0 360.0-153.4-134.5 49.3 15.9 75.2 824 51 C N 0 0 178 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.892 360.0 360.0-137.1 360.0 49.4 13.3 72.5 825 ! 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 0.0 826 58 C F > 0 0 32 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.1 48.0 17.6 65.6 827 59 C K H > + 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 360.0 51.4 -60.7 -41.8 51.6 17.0 64.6 828 60 C R H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 107.9 51.7 -59.9 -47.7 50.3 14.4 62.2 829 61 C I H >> S+ 0 0 50 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.953 112.0 45.8 -54.0 -53.4 47.8 16.9 60.7 830 62 C C H ><>S+ 0 0 6 -4,-2.6 3,-1.2 1,-0.2 5,-0.5 0.918 111.4 53.1 -56.2 -46.2 50.6 19.5 60.2 831 63 C E H 3<5S+ 0 0 158 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.790 114.8 40.3 -61.3 -30.5 52.9 16.8 58.7 832 64 C R H <<5S+ 0 0 182 -4,-1.9 -1,-0.3 -3,-0.5 -2,-0.2 0.348 92.7 88.9-100.5 5.2 50.2 15.7 56.1 833 65 C S T <<5S- 0 0 6 -3,-1.2 245,-0.3 -4,-0.6 -1,-0.2 0.684 85.2-136.7 -75.8 -20.5 49.0 19.3 55.4 834 66 C A T 5 + 0 0 48 -4,-0.4 2,-0.5 -3,-0.3 272,-0.1 0.805 65.7 125.9 65.0 27.3 51.6 19.9 52.6 835 67 C I < + 0 0 8 -5,-0.5 -1,-0.3 1,-0.1 268,-0.2 -0.983 33.2 173.7-118.5 120.5 52.1 23.3 54.1 836 68 C K + 0 0 53 267,-2.1 -28,-1.6 -2,-0.5 -27,-0.4 0.582 66.5 16.9-102.0 -12.7 55.7 24.2 54.9 837 69 C Q E -I 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4,-0.0 3,-0.0 176,-0.0 0.190 105.5 107.7-141.5 16.7 36.3 29.1 74.8 858 90 C E S S+ 0 0 121 -6,-0.1 -6,-0.1 1,-0.1 -812,-0.1 0.804 86.5 28.0 -67.8 -33.4 36.7 29.4 78.5 859 91 C V S S- 0 0 18 -7,-0.2 -4,-0.1 -814,-0.1 -1,-0.1 -0.933 92.0-101.3-129.0 152.4 37.1 33.2 78.5 860 92 C P + 0 0 12 0, 0.0 -812,-0.4 0, 0.0 172,-0.3 -0.325 40.4 161.6 -69.6 156.1 35.7 35.8 76.0 861 93 C S > + 0 0 1 170,-2.1 4,-2.1 -814,-0.1 171,-0.2 0.332 41.0 103.4-157.0 4.3 38.1 37.3 73.4 862 94 C L H > S+ 0 0 1 169,-2.2 4,-2.8 1,-0.2 5,-0.2 0.947 81.9 52.7 -60.9 -52.2 36.0 38.9 70.7 863 95 C D H > S+ 0 0 50 168,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.857 112.0 46.7 -53.3 -39.3 36.6 42.5 71.8 864 96 C A H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 112.3 49.3 -71.1 -41.1 40.4 42.0 71.8 865 97 C R H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.871 106.5 57.3 -65.3 -35.9 40.4 40.3 68.4 866 98 C Q H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.910 105.2 50.6 -61.4 -41.0 38.3 43.1 67.0 867 99 C A H X S+ 0 0 53 -4,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.884 110.1 50.3 -64.5 -37.1 40.9 45.6 68.0 868 100 C M H X S+ 0 0 10 -4,-1.6 4,-3.2 1,-0.2 3,-0.3 0.909 110.8 49.2 -66.4 -41.4 43.6 43.4 66.3 869 101 C L H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.907 102.3 60.5 -64.7 -44.2 41.5 43.3 63.1 870 102 C A H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 118.2 31.8 -53.2 -35.2 40.9 47.0 62.9 871 103 C M H X S+ 0 0 122 -4,-1.1 4,-1.5 -3,-0.3 -2,-0.2 0.920 123.6 41.7 -88.3 -50.6 44.7 47.4 62.7 872 104 C E H X S+ 0 0 8 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.884 108.5 53.1 -69.6 -44.9 45.9 44.3 60.9 873 105 C V H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.961 114.4 42.2 -59.1 -52.0 43.4 43.8 58.1 874 106 C P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.904 112.6 56.9 -61.4 -38.9 43.7 47.4 56.8 875 107 C R H X S+ 0 0 139 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.947 111.5 39.3 -56.6 -54.8 47.5 47.2 57.2 876 108 C L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.902 113.9 55.7 -63.6 -41.5 48.0 44.1 55.0 877 109 C A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.923 107.5 49.9 -56.5 -46.2 45.4 45.4 52.5 878 110 C K H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.933 111.6 47.2 -58.5 -49.9 47.3 48.7 52.1 879 111 C E H X S+ 0 0 62 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.893 114.0 47.1 -61.5 -42.0 50.6 46.9 51.5 880 112 C A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 112,-0.3 0.926 112.5 50.3 -65.9 -43.6 49.1 44.5 49.0 881 113 C A H X S+ 0 0 0 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.863 105.2 56.3 -63.1 -39.2 47.3 47.3 47.1 882 114 C E H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.883 106.9 49.7 -62.1 -38.1 50.5 49.4 46.9 883 115 C K H X S+ 0 0 118 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.872 114.6 45.2 -68.2 -36.8 52.3 46.5 45.1 884 116 C A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.919 113.3 47.8 -72.5 -44.6 49.4 46.2 42.7 885 117 C I H X>S+ 0 0 22 -4,-3.3 4,-1.5 1,-0.2 5,-0.6 0.870 112.0 53.5 -63.4 -33.7 49.0 49.9 42.1 886 118 C Q H <5S+ 0 0 146 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.922 110.1 44.3 -65.8 -47.5 52.8 50.0 41.5 887 119 C E H <5S+ 0 0 76 -4,-2.0 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