==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUN-07 2V2Q . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.S.ALPHEY,W.N.HUNTER . 539 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 0 0 2 2 2 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 4 0 4 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 A H 0 0 182 0, 0.0 42,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 49.0 32.9 10.7 43.0 2 1 A M - 0 0 105 42,-0.1 2,-0.3 43,-0.1 42,-0.2 -0.246 360.0-174.4 -66.7 136.3 30.4 7.8 42.8 3 2 A I E -A 43 0A 62 40,-2.7 40,-2.8 2,-0.0 2,-0.4 -0.899 17.1-135.5-123.6 157.0 26.8 8.4 41.7 4 3 A K E -A 42 0A 117 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.950 18.3-174.0-111.5 135.0 23.7 6.2 41.6 5 4 A V E -A 41 0A 29 36,-3.0 36,-2.7 -2,-0.4 2,-0.3 -0.995 19.6-132.5-126.8 133.2 21.4 6.1 38.6 6 5 A L E -A 40 0A 76 -2,-0.4 34,-0.2 34,-0.2 32,-0.0 -0.639 12.1-159.8 -82.2 137.0 18.1 4.1 38.4 7 6 A S E -A 39 0A 0 32,-2.7 32,-2.6 -2,-0.3 93,-0.1 -0.934 17.2-150.9-119.2 102.6 17.4 2.0 35.4 8 7 A P E -A 38 0A 15 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.296 5.3-128.5 -77.1 159.0 13.6 1.3 35.0 9 8 A A E -A 35 0A 0 28,-1.9 26,-2.2 26,-0.8 2,-0.3 -0.443 17.8-146.3 -90.1 169.5 11.9 -1.7 33.4 10 9 A K E -A 34 0A 4 84,-2.4 2,-0.3 24,-0.2 24,-0.2 -0.925 4.7-156.4-126.3 162.4 9.2 -1.7 30.8 11 10 A I E -A 33 0A 0 22,-1.9 22,-2.3 -2,-0.3 2,-0.6 -0.955 22.2-124.3-122.5 153.3 6.2 -3.9 29.9 12 11 A N E -A 32 0A 2 -2,-0.3 2,-1.3 81,-0.2 20,-0.2 -0.896 11.5-156.9 -89.9 120.3 4.5 -4.2 26.5 13 12 A L E S- 0 0 0 18,-3.4 184,-0.1 -2,-0.6 224,-0.1 -0.554 77.6 -26.4 -89.0 64.7 0.9 -3.4 26.8 14 13 A G E - 0 0 0 -2,-1.3 17,-1.5 222,-0.3 2,-0.3 0.123 67.0-150.1 101.1 144.5 0.2 -5.5 23.7 15 14 A L E -Ab 30 207A 5 191,-2.3 193,-0.9 15,-0.2 2,-0.4 -0.984 8.4-172.4-151.5 137.7 2.4 -6.4 20.8 16 15 A W E -A 29 0A 7 13,-2.8 13,-2.5 -2,-0.3 2,-0.5 -0.982 16.4-142.6-132.7 141.0 1.7 -7.2 17.1 17 16 A V E -A 28 0A 0 166,-0.5 168,-2.0 -2,-0.4 11,-0.2 -0.922 11.6-174.5-106.0 122.7 4.0 -8.5 14.4 18 17 A L E - 0 0 31 9,-2.7 2,-0.3 -2,-0.5 10,-0.2 0.812 56.2 -74.4 -85.7 -34.2 3.4 -7.0 10.9 19 18 A G E -A 27 0A 14 8,-1.2 8,-1.5 165,-0.1 -1,-0.3 -0.987 58.1 -46.8 167.1-167.2 5.8 -9.2 9.1 20 19 A R E -A 26 0A 154 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.622 37.9-150.9 -90.7 150.0 9.4 -10.1 8.2 21 20 A L > - 0 0 50 4,-2.6 3,-1.7 -2,-0.2 -2,-0.0 -0.854 27.9-116.3-111.2 154.5 12.2 -7.6 7.2 22 21 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.893 112.2 68.5 -54.6 -40.5 15.2 -8.6 5.0 23 22 A S T 3 S- 0 0 86 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 0.471 120.2-107.8 -59.0 -2.1 17.6 -7.9 7.9 24 23 A G S < S+ 0 0 50 -3,-1.7 -1,-0.2 1,-0.3 -3,-0.0 -0.077 90.3 105.5 97.1 -31.4 16.1 -11.0 9.6 25 24 A Y - 0 0 150 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 0.110 66.9-117.7 -67.5-174.6 14.2 -8.8 12.1 26 25 A H E -A 20 0A 14 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.978 10.1-122.7-135.7 142.5 10.5 -8.1 12.2 27 26 A E E +A 19 0A 82 -8,-1.5 -9,-2.7 -2,-0.4 -8,-1.2 -0.728 44.3 174.7 -83.5 135.4 8.3 -5.0 11.9 28 27 A I E -A 17 0A 4 117,-2.2 2,-0.4 -2,-0.4 117,-0.4 -0.876 32.1-143.0-136.9 161.1 6.1 -4.7 15.0 29 28 A L E +A 16 0A 3 -13,-2.5 -13,-2.8 -2,-0.3 2,-0.3 -0.999 34.8 155.6-124.7 133.7 3.6 -2.5 16.7 30 29 A T E -AC 15 143A 0 113,-1.7 113,-3.2 -2,-0.4 2,-0.6 -0.993 40.3-129.8-151.8 153.0 3.7 -2.3 20.5 31 30 A L E - C 0 142A 0 -17,-1.5 -18,-3.4 -2,-0.3 2,-0.3 -0.941 27.4-154.4-107.0 109.7 2.8 -0.0 23.4 32 31 A Y E -AC 12 141A 0 109,-2.7 109,-1.9 -2,-0.6 2,-0.4 -0.663 9.8-171.3 -78.3 135.9 5.7 0.5 25.8 33 32 A Q E -AC 11 140A 21 -22,-2.3 -22,-1.9 -2,-0.3 107,-0.2 -0.972 17.8-138.5-129.5 118.1 5.0 1.3 29.5 34 33 A E E -A 10 0A 55 105,-3.0 -24,-0.2 -2,-0.4 101,-0.0 -0.523 24.7-158.3 -67.5 136.3 7.7 2.3 31.9 35 34 A I E -A 9 0A 1 -26,-2.2 2,-2.8 2,-0.2 -26,-0.8 -0.917 28.3-110.4-122.8 147.9 7.2 0.7 35.3 36 35 A P E S+ 0 0 49 0, 0.0 2,-0.4 0, 0.0 232,-0.1 -0.293 81.7 112.4 -75.2 63.8 8.5 1.7 38.7 37 36 A F E - 0 0 18 -2,-2.8 -28,-1.9 -28,-0.2 2,-0.3 -0.989 48.9-173.0-142.5 117.9 10.9 -1.3 38.8 38 37 A Y E -A 8 0A 78 -2,-0.4 2,-0.4 -30,-0.2 49,-0.1 -0.877 34.3-146.1-129.5 143.8 14.6 -0.6 38.7 39 38 A D E -A 7 0A 0 -32,-2.6 -32,-2.7 -2,-0.3 2,-0.5 -0.790 35.3-133.1 -84.4 146.5 18.2 -1.8 38.5 40 39 A E E -AD 6 85A 36 45,-1.4 45,-3.0 -2,-0.4 2,-0.5 -0.935 19.9-161.5-105.9 126.5 20.5 0.4 40.5 41 40 A I E -AD 5 84A 0 -36,-2.7 -36,-3.0 -2,-0.5 2,-0.6 -0.924 4.9-158.0-113.7 121.7 23.6 1.5 38.7 42 41 A Y E -AD 4 83A 64 41,-3.3 41,-2.5 -2,-0.5 2,-0.5 -0.885 10.6-166.2-101.6 120.0 26.6 2.8 40.5 43 42 A I E +AD 3 82A 2 -40,-2.8 -40,-2.7 -2,-0.6 2,-0.3 -0.928 11.8 171.2-112.5 131.6 28.9 4.9 38.4 44 43 A R E - D 0 81A 133 37,-1.7 37,-3.6 -2,-0.5 2,-0.2 -0.971 38.3-102.5-139.8 147.1 32.4 5.8 39.5 45 44 A E E S+ D 0 80A 102 -2,-0.3 2,-0.3 35,-0.2 35,-0.3 -0.527 75.6 78.9 -69.5 134.9 35.5 7.3 38.0 46 45 A G S S- 0 0 26 33,-1.8 3,-0.1 -2,-0.2 2,-0.0 -0.959 80.9 -11.9 157.0-171.0 38.1 4.7 37.1 47 46 A V S S- 0 0 100 -2,-0.3 32,-0.1 1,-0.2 2,-0.1 -0.330 83.5 -89.9 -58.8 132.2 39.2 2.1 34.6 48 47 A L + 0 0 27 30,-0.4 2,-0.3 33,-0.1 33,-0.2 -0.242 68.8 154.3 -49.0 111.8 36.5 1.2 32.1 49 48 A R E -e 81 0A 105 31,-1.6 33,-3.6 -3,-0.1 2,-0.4 -0.995 30.6-167.5-146.0 138.0 34.6 -1.6 33.8 50 49 A V E +e 82 0A 2 -2,-0.3 2,-0.3 31,-0.2 33,-0.2 -0.936 22.3 166.8-131.5 112.9 31.1 -3.0 33.7 51 50 A E E -e 83 0A 88 31,-3.1 33,-2.9 -2,-0.4 2,-0.3 -0.887 14.9-166.6-124.8 152.5 30.1 -5.5 36.4 52 51 A T E > -e 84 0A 17 -2,-0.3 3,-0.5 4,-0.3 33,-0.2 -0.860 32.2-121.7-129.5 168.0 26.8 -7.0 37.7 53 52 A N T 3 S+ 0 0 87 31,-1.1 32,-0.1 -2,-0.3 30,-0.0 0.257 108.3 56.8 -87.7 9.2 25.7 -8.9 40.8 54 53 A I T 3 S- 0 0 77 2,-0.1 -1,-0.2 0, 0.0 31,-0.0 0.226 113.0-104.1-130.9 12.2 24.5 -11.8 38.6 55 54 A G < + 0 0 67 -3,-0.5 -2,-0.1 1,-0.2 -4,-0.0 0.772 53.8 163.1 75.1 31.5 27.6 -12.8 36.6 56 55 A I - 0 0 48 1,-0.1 -4,-0.3 2,-0.0 -1,-0.2 -0.723 45.5-114.1 -76.0 124.4 27.0 -11.4 33.1 57 56 A P >> - 0 0 64 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.376 17.7-124.9 -62.6 139.2 30.5 -11.3 31.4 58 57 A Q G >4 S+ 0 0 62 1,-0.3 3,-1.1 2,-0.2 6,-0.3 0.873 109.4 54.8 -51.0 -47.6 31.7 -7.8 30.6 59 58 A E G 34 S+ 0 0 123 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.771 111.3 46.0 -59.0 -28.7 32.2 -8.5 26.9 60 59 A E G <4 S+ 0 0 132 -3,-1.2 2,-0.4 4,-0.1 -1,-0.3 0.541 87.0 109.5 -91.4 -10.6 28.5 -9.6 26.6 61 60 A N S+ 0 0 45 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.791 100.7 56.7 -54.7 -34.1 25.2 -4.2 26.4 63 62 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 108.5 45.9 -65.2 -43.4 26.4 -1.3 28.6 64 63 A Y H > S+ 0 0 20 -3,-0.5 4,-2.0 -6,-0.3 -2,-0.2 0.900 112.2 51.3 -65.8 -42.0 30.1 -2.3 27.9 65 64 A K H X S+ 0 0 95 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.894 112.0 48.0 -58.3 -42.6 29.3 -2.7 24.2 66 65 A G H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.851 110.8 48.9 -67.8 -38.8 27.7 0.8 24.2 67 66 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 11,-0.2 0.816 109.7 52.0 -73.5 -32.7 30.6 2.5 26.0 68 67 A R H X S+ 0 0 115 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.893 111.7 46.7 -66.6 -42.3 33.2 0.9 23.6 69 68 A E H X S+ 0 0 52 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.825 107.8 57.5 -67.9 -34.0 31.2 2.2 20.7 70 69 A F H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.973 110.1 43.6 -56.6 -56.7 31.0 5.6 22.4 71 70 A E H X S+ 0 0 40 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.899 115.8 49.7 -49.0 -49.6 34.8 5.7 22.6 72 71 A R H < S+ 0 0 184 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.922 116.4 38.4 -61.4 -52.1 35.0 4.5 18.9 73 72 A I H < S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 126.2 34.5 -67.4 -41.1 32.5 7.0 17.4 74 73 A T H < S- 0 0 40 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.606 93.0-131.6 -99.8 -15.1 33.5 10.1 19.5 75 74 A G < + 0 0 66 -4,-2.0 -4,-0.1 -5,-0.3 -3,-0.1 -0.098 66.9 122.4 89.3 -36.1 37.3 9.7 20.0 76 75 A I - 0 0 66 -6,-0.2 2,-0.5 -2,-0.1 -1,-0.3 -0.288 63.1-126.9 -62.5 141.2 37.1 10.3 23.7 77 76 A E - 0 0 142 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.832 21.9-133.4 -95.0 122.9 38.4 7.6 26.1 78 77 A I - 0 0 1 -2,-0.5 2,-0.4 -11,-0.2 -30,-0.4 -0.654 21.3-176.2 -85.9 119.9 35.8 6.6 28.8 79 78 A N + 0 0 80 -2,-0.5 -33,-1.8 -32,-0.1 2,-0.4 -0.579 37.1 121.5-113.7 68.2 37.1 6.3 32.3 80 79 A Y E -D 45 0A 29 -2,-0.4 -31,-1.6 -35,-0.3 2,-0.6 -0.996 49.4-147.2-134.5 134.1 34.1 5.0 34.3 81 80 A S E -De 44 49A 12 -37,-3.6 -37,-1.7 -2,-0.4 2,-0.5 -0.886 23.5-160.8 -97.7 117.1 33.7 1.9 36.5 82 81 A I E +De 43 50A 0 -33,-3.6 -31,-3.1 -2,-0.6 2,-0.5 -0.868 15.1 180.0-107.9 124.7 30.1 0.6 36.3 83 82 A F E -De 42 51A 72 -41,-2.5 -41,-3.3 -2,-0.5 2,-0.5 -0.987 9.5-166.3-120.6 125.2 28.4 -1.7 38.8 84 83 A I E -De 41 52A 0 -33,-2.9 -31,-1.1 -2,-0.5 2,-0.8 -0.937 13.6-150.6-112.6 120.0 24.7 -2.7 38.1 85 84 A Q E -D 40 0A 68 -45,-3.0 -45,-1.4 -2,-0.5 2,-1.2 -0.833 24.5-142.7 -86.2 110.5 22.6 -4.3 40.8 86 85 A K + 0 0 18 -2,-0.8 -47,-0.1 1,-0.2 -34,-0.0 -0.624 44.2 149.2 -87.7 90.5 20.2 -6.4 38.6 87 86 A N + 0 0 53 -2,-1.2 -1,-0.2 -49,-0.1 -48,-0.2 0.736 65.9 73.5 -82.0 -27.8 16.7 -6.5 40.0 88 87 A I S S- 0 0 0 -3,-0.2 -1,-0.1 8,-0.1 -49,-0.0 -0.814 89.8-134.6 -90.9 109.0 15.3 -6.8 36.5 89 88 A P > - 0 0 37 0, 0.0 3,-1.1 0, 0.0 5,-0.4 -0.379 17.4-112.5 -70.6 139.3 16.1 -10.4 35.4 90 89 A P T 3 S+ 0 0 69 0, 0.0 80,-0.1 0, 0.0 -4,-0.0 -0.444 102.1 26.3 -67.3 143.1 17.5 -11.0 31.9 91 90 A G T 3 S+ 0 0 23 78,-0.2 79,-2.3 -2,-0.1 151,-0.0 0.631 88.3 113.8 79.4 16.0 15.1 -12.8 29.6 92 91 A A S < S- 0 0 2 -3,-1.1 150,-2.0 149,-0.2 149,-0.5 0.459 85.5-117.3 -98.0 -4.8 12.1 -11.6 31.5 93 92 A G S S+ 0 0 13 77,-0.2 -81,-0.2 148,-0.2 148,-0.1 0.674 87.3 110.0 76.8 19.9 10.7 -9.4 28.7 94 93 A L S S- 0 0 2 -5,-0.4 -84,-2.4 -83,-0.1 147,-0.1 0.306 84.9-119.7-109.5 4.2 11.1 -6.2 30.7 95 94 A G > + 0 0 12 -86,-0.2 4,-2.5 3,-0.1 5,-0.2 0.719 54.8 155.7 66.7 25.8 14.0 -4.7 28.7 96 95 A G H > S+ 0 0 8 -7,-0.3 4,-2.2 1,-0.2 -57,-0.1 0.882 72.4 42.8 -50.1 -50.6 16.5 -4.6 31.7 97 96 A G H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.841 114.0 51.0 -67.3 -36.3 19.7 -4.6 29.5 98 97 A S H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 110.7 50.1 -69.1 -37.0 18.3 -2.1 27.1 99 98 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.914 108.6 52.0 -64.2 -45.5 17.4 0.1 30.0 100 99 A N H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.2 5,-0.3 0.926 111.5 47.9 -55.8 -48.5 20.9 -0.2 31.4 101 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.947 113.7 45.4 -57.3 -56.0 22.4 0.8 28.0 102 101 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 116.5 43.0 -56.3 -51.8 20.2 3.9 27.5 103 102 A V H X S+ 0 0 20 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.848 116.7 45.8 -71.1 -34.9 20.5 5.3 31.1 104 103 A V H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.3 5,-0.3 0.956 115.2 45.9 -69.8 -51.9 24.3 4.7 31.4 105 104 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.790 112.7 51.3 -64.4 -29.4 25.1 6.1 28.0 106 105 A K H X S+ 0 0 91 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.896 114.7 43.8 -69.3 -41.8 22.9 9.1 28.5 107 106 A K H X S+ 0 0 71 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.953 114.5 46.9 -66.8 -52.5 24.6 9.8 31.9 108 107 A V H X S+ 0 0 0 -4,-3.3 4,-0.9 1,-0.2 -3,-0.2 0.872 110.8 54.3 -59.7 -39.4 28.2 9.2 30.6 109 108 A N H <>S+ 0 0 8 -4,-1.6 5,-2.2 -5,-0.3 3,-0.3 0.897 111.7 44.0 -57.8 -44.6 27.4 11.5 27.6 110 109 A E H ><5S+ 0 0 96 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.912 108.9 56.9 -67.0 -44.6 26.2 14.3 29.9 111 110 A L H 3<5S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.690 106.3 52.7 -58.5 -22.0 29.2 13.7 32.3 112 111 A L T 3<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 -0.074 129.6 -90.6-108.3 30.6 31.5 14.3 29.3 113 112 A G T < 5 - 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0 0 24 -4,-2.4 3,-1.2 -5,-0.1 -1,-0.3 -0.931 54.6-149.8-150.4 126.8 -33.7 -4.3 2.6 401 129 B A T 3 S+ 0 0 19 -2,-0.3 4,-0.3 1,-0.3 -4,-0.1 0.744 102.3 54.3 -63.3 -25.7 -29.9 -4.7 2.7 402 130 B D T 3> S+ 0 0 41 1,-0.2 4,-0.6 2,-0.1 3,-0.4 0.627 90.7 77.2 -80.1 -17.7 -30.4 -7.8 5.0 403 131 B A T X4 S+ 0 0 0 -3,-1.2 3,-1.3 -7,-0.3 4,-0.4 0.898 81.1 62.7 -65.8 -45.4 -32.7 -9.6 2.6 404 132 B P G >4 S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.841 96.2 61.7 -49.6 -36.2 -30.1 -10.9 0.1 405 133 B F G >> S+ 0 0 1 -3,-0.4 4,-3.2 -4,-0.3 3,-1.9 0.868 96.0 60.1 -56.8 -38.3 -28.5 -13.0 2.9 406 134 B F G << S+ 0 0 15 -3,-1.3 -1,-0.3 -4,-0.6 -3,-0.1 0.540 93.2 63.9 -73.0 -6.7 -31.7 -15.0 3.3 407 135 B L G <4 S+ 0 0 27 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.542 118.2 28.9 -83.7 -12.3 -31.5 -16.1 -0.3 408 136 B L T <4 S+ 0 0 86 -3,-1.9 -2,-0.2 -4,-0.4 -3,-0.1 0.770 87.1 177.0-106.2 -55.1 -28.3 -17.9 0.9 409 137 B G < + 0 0 3 -4,-3.2 -2,-0.1 1,-0.1 2,-0.1 -0.334 44.0 74.7 71.5-159.6 -28.7 -18.7 4.5 410 138 B K S S- 0 0 162 -4,-0.1 -105,-2.7 13,-0.1 2,-0.4 -0.363 106.7 -27.6 55.8-130.1 -26.1 -20.7 6.5 411 139 B S E +L 304 0C 15 13,-0.5 13,-1.8 -107,-0.2 2,-0.3 -0.958 69.6 160.7-118.4 137.0 -23.1 -18.4 7.2 412 140 B A E -LO 303 423C 0 -109,-1.7 -109,-2.9 -2,-0.4 2,-0.5 -0.982 37.5-124.7-153.1 142.6 -22.0 -15.4 5.1 413 141 B I E -LO 302 422C 1 9,-2.5 9,-1.9 -2,-0.3 2,-0.5 -0.770 30.9-146.6 -79.7 127.7 -19.8 -12.3 5.4 414 142 B G E +LO 301 421C 0 -113,-2.8 -113,-1.4 -2,-0.5 7,-0.2 -0.879 21.5 175.1-100.3 127.4 -21.9 -9.2 4.5 415 143 B R E > > + O 0 420C 69 5,-2.9 3,-2.5 -2,-0.5 5,-2.0 -0.667 51.8 25.6-121.2-179.7 -20.2 -6.2 2.9 416 144 B G T 3 5S- 0 0 20 -117,-0.3 -117,-3.2 1,-0.3 -2,-0.1 -0.581 142.1 -22.6 64.3-121.6 -21.4 -2.9 1.4 417 145 B K T 3 5S- 0 0 68 -2,-0.4 -1,-0.3 -119,-0.2 -120,-0.1 0.393 113.9 -77.4 -92.1 1.2 -24.6 -2.3 3.3 418 146 B G T < 5S+ 0 0 0 -3,-2.5 -3,-0.2 -119,-0.2 -2,-0.2 0.015 117.5 96.8 126.0 -23.4 -24.8 -6.0 4.0 419 147 B E T 5 + 0 0 50 -5,-0.2 2,-0.8 -22,-0.1 -3,-0.2 0.600 61.5 84.7 -76.4 -15.2 -26.1 -7.1 0.6 420 148 B V E - 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0 0 43 -2,-0.2 -191,-2.2 30,-0.0 2,-0.3 -0.969 20.7-169.6-149.3 160.0 -18.3 -7.2 19.0 478 206 B N B > -k 286 0C 9 -2,-0.3 4,-1.4 -193,-0.2 3,-0.5 -0.809 12.6-164.7-159.0 108.4 -21.0 -4.8 17.7 479 207 B V H > S+ 0 0 19 -193,-0.8 4,-1.8 -2,-0.3 5,-0.1 0.762 93.6 60.4 -68.3 -27.9 -21.1 -1.1 18.1 480 208 B L H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.841 104.8 51.2 -66.7 -34.1 -24.8 -0.8 17.2 481 209 B G H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.859 105.3 55.1 -66.2 -40.6 -25.4 -3.0 20.3 482 210 B D H X S+ 0 0 87 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.890 114.2 40.9 -55.5 -44.1 -23.3 -0.6 22.4 483 211 B I H >X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 3,-1.2 0.912 111.1 55.3 -72.7 -45.8 -25.6 2.2 21.3 484 212 B A H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 7,-0.3 0.903 104.3 56.3 -52.8 -42.9 -28.8 0.1 21.6 485 213 B R H 3< S+ 0 0 37 -4,-2.4 7,-0.4 1,-0.2 -1,-0.3 0.752 111.6 43.0 -60.5 -26.6 -27.8 -0.6 25.2 486 214 B E H << S+ 0 0 149 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.833 116.8 44.1 -87.8 -39.2 -27.6 3.2 25.8 487 215 B L H < S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.766 121.8 39.2 -76.3 -28.7 -30.8 4.2 24.0 488 216 B Y >X - 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