==== 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 ISOMERASE 26-NOV-08 3FDU . COMPND 2 MOLECULE: PUTATIVE ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR J.B.BONANNO,M.DICKEY,K.T.BAIN,B.K.TANG,R.ROMERO,S.WASSERMAN, . 1381 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1043 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 166 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 48 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 520 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.1 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 8 1 6 0 1 7 7 12 0 5 1 1 5 1 3 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 6 7 11 1 5 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 5 1 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 0 4 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 8 A S 0 0 109 0, 0.0 2,-0.4 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 144.5 21.2 59.6 142.9 2 9 A L + 0 0 172 5,-0.0 5,-0.1 6,-0.0 0, 0.0 -0.664 360.0 163.4 -81.1 134.0 20.4 56.4 144.9 3 10 A H > - 0 0 66 3,-0.4 3,-0.7 -2,-0.4 2,-0.0 -0.982 38.6-100.8-148.0 154.0 16.7 55.6 145.4 4 11 A P T 3 S+ 0 0 76 0, 0.0 17,-0.1 0, 0.0 3,-0.0 -0.335 98.7 33.0 -71.8 161.5 14.7 52.6 146.4 5 12 A H T 3 S+ 0 0 66 15,-0.3 15,-1.9 14,-0.1 2,-0.3 0.527 104.0 78.6 75.6 11.8 12.9 50.4 143.8 6 13 A L E < -A 19 0A 24 -3,-0.7 -3,-0.4 13,-0.2 2,-0.4 -0.859 59.3-166.2-152.9 111.2 15.5 50.9 141.1 7 14 A N E -A 18 0A 77 11,-2.7 11,-2.7 -2,-0.3 2,-0.4 -0.830 6.7-162.6-100.0 139.3 18.8 49.0 141.0 8 15 A A E +A 17 0A 74 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.963 10.5 175.9-125.8 136.0 21.6 50.2 138.6 9 16 A N E -A 16 0A 92 7,-1.7 7,-3.2 -2,-0.4 2,-0.5 -0.996 9.1-166.5-137.6 132.7 24.6 48.2 137.6 10 17 A L E +A 15 0A 72 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.982 20.6 153.8-122.5 119.5 27.2 49.2 135.1 11 18 A E E > -A 14 0A 132 3,-2.0 3,-2.2 -2,-0.5 -2,-0.1 -0.973 67.5 -8.9-147.1 132.8 29.6 46.6 133.7 12 19 A G T 3 S- 0 0 67 -2,-0.3 3,-0.1 1,-0.3 187,-0.1 0.834 128.4 -53.3 51.8 39.6 31.6 46.5 130.5 13 20 A G T 3 S+ 0 0 11 35,-0.2 37,-3.1 1,-0.2 38,-2.1 0.381 113.0 120.4 78.0 -2.6 29.7 49.5 129.1 14 21 A V E < -Ab 11 51A 2 -3,-2.2 -3,-2.0 36,-0.2 2,-0.6 -0.846 47.1-162.3 -96.7 114.8 26.3 47.9 129.8 15 22 A L E -Ab 10 52A 17 36,-2.9 38,-3.1 -2,-0.7 2,-0.6 -0.858 6.3-164.1 -95.4 117.7 24.0 49.8 132.2 16 23 A T E -Ab 9 53A 14 -7,-3.2 -7,-1.7 -2,-0.6 2,-0.6 -0.928 2.7-168.2-106.0 120.3 21.2 47.5 133.5 17 24 A L E -Ab 8 54A 2 36,-3.6 38,-2.2 -2,-0.6 2,-0.6 -0.941 8.9-171.3-106.3 118.6 18.3 49.4 135.1 18 25 A A E -Ab 7 55A 7 -11,-2.7 -11,-2.7 -2,-0.6 2,-0.3 -0.931 19.4-138.6-122.8 120.2 16.1 47.1 137.1 19 26 A I E -Ab 6 56A 4 36,-2.5 38,-2.9 -2,-0.6 39,-0.4 -0.545 23.5-175.8 -70.7 129.9 12.7 48.0 138.6 20 27 A N + 0 0 57 -15,-1.9 -15,-0.3 -2,-0.3 -14,-0.1 -0.662 37.1 117.6-137.2 75.9 12.5 46.4 142.0 21 28 A R > > + 0 0 49 -2,-0.3 5,-2.7 -16,-0.1 3,-1.6 -0.500 25.0 161.1-135.5 65.5 9.1 46.9 143.7 22 29 A P G > 5 + 0 0 90 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.812 65.8 69.8 -61.7 -32.8 7.8 43.3 144.1 23 30 A E G 3 5S+ 0 0 109 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.778 115.5 29.1 -58.2 -19.6 5.3 44.1 146.8 24 31 A A G X 5S- 0 0 30 -3,-1.6 3,-1.4 3,-0.1 -1,-0.3 0.152 114.5-109.2-123.3 19.8 3.4 45.9 144.1 25 32 A K T < 5S- 0 0 100 -3,-2.1 38,-1.4 1,-0.2 39,-0.2 0.880 77.4 -59.4 43.9 44.8 4.5 43.9 141.0 26 33 A N T 3 > - 0 0 44 -2,-0.4 4,-2.1 36,-0.2 3,-0.9 -0.723 40.0 -89.0-106.7 164.8 4.4 56.0 141.3 30 37 A G H 3> S+ 0 0 17 1,-0.3 4,-1.4 -2,-0.2 -1,-0.0 0.812 122.6 40.7 -35.0 -62.7 5.1 59.7 140.5 31 38 A E H 3> S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.804 110.2 57.5 -69.3 -28.3 8.7 59.9 141.8 32 39 A L H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 5,-0.3 0.929 102.2 56.0 -69.9 -40.7 9.8 56.5 140.5 33 40 A Y H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.943 111.3 45.5 -50.8 -45.1 8.9 57.6 136.9 34 41 A L H X S+ 0 0 45 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.874 109.5 52.9 -68.5 -39.1 11.2 60.6 137.5 35 42 A W H X S+ 0 0 35 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.908 111.4 46.8 -62.9 -42.7 14.0 58.6 139.0 36 43 A I H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.929 112.5 50.8 -63.0 -44.3 13.9 56.3 136.0 37 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.918 110.1 49.4 -57.3 -44.3 13.9 59.3 133.6 38 45 A K H X S+ 0 0 75 -4,-3.0 4,-3.1 1,-0.2 -1,-0.2 0.886 107.5 53.9 -65.4 -40.3 16.9 60.9 135.3 39 46 A A H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.852 109.4 48.2 -59.3 -41.1 18.9 57.6 135.1 40 47 A L H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.905 112.3 49.5 -61.2 -45.5 18.3 57.5 131.3 41 48 A D H X S+ 0 0 72 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.954 114.6 44.2 -61.4 -50.0 19.3 61.2 131.0 42 49 A E H >X S+ 0 0 115 -4,-3.1 4,-1.2 1,-0.2 3,-0.7 0.892 109.0 56.8 -63.4 -40.6 22.5 60.6 133.0 43 50 A A H 3< S+ 0 0 4 -4,-2.4 3,-0.4 1,-0.2 6,-0.2 0.885 102.6 55.5 -54.5 -39.2 23.3 57.3 131.2 44 51 A D H 3< S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.777 112.8 41.9 -69.4 -25.3 23.2 59.2 127.9 45 52 A Q H << S+ 0 0 161 -4,-0.9 2,-0.7 -3,-0.7 -1,-0.2 0.545 92.4 99.0 -90.3 -14.3 25.9 61.7 129.3 46 53 A N >< - 0 0 63 -4,-1.2 3,-2.1 -3,-0.4 -4,-0.0 -0.665 60.1-158.7 -84.9 114.6 28.0 59.0 130.9 47 54 A K T 3 S+ 0 0 95 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.689 90.3 60.7 -72.2 -18.5 30.9 58.1 128.7 48 55 A D T 3 S+ 0 0 120 2,-0.0 2,-0.5 -3,-0.0 -1,-0.3 0.471 91.9 81.9 -80.0 -4.0 31.4 54.7 130.4 49 56 A V < + 0 0 2 -3,-2.1 -35,-0.2 -6,-0.2 3,-0.1 -0.908 41.6 158.4-102.8 126.9 27.8 53.7 129.3 50 57 A R + 0 0 84 -37,-3.1 2,-0.3 -2,-0.5 -36,-0.2 0.707 68.8 24.3-110.1 -33.6 27.3 52.4 125.7 51 58 A V E -b 14 0A 1 -38,-2.1 -36,-2.9 48,-0.1 2,-0.5 -0.993 65.0-148.7-134.9 139.5 24.0 50.4 126.0 52 59 A V E -bc 15 101A 0 48,-2.4 50,-3.0 -2,-0.3 2,-0.5 -0.925 7.9-169.2-108.1 135.2 21.1 50.6 128.4 53 60 A V E -bc 16 102A 3 -38,-3.1 -36,-3.6 -2,-0.5 2,-0.4 -0.990 5.8-171.5-118.5 128.6 19.0 47.6 129.4 54 61 A L E +bc 17 103A 3 48,-2.5 50,-1.6 -2,-0.5 2,-0.3 -0.980 25.6 126.7-118.4 129.8 15.7 48.3 131.3 55 62 A R E -bc 18 104A 52 -38,-2.2 -36,-2.5 -2,-0.4 2,-0.2 -0.932 59.1 -77.6-159.3 177.1 13.7 45.5 132.8 56 63 A G E -b 19 0A 0 48,-0.6 -36,-0.2 -2,-0.3 5,-0.1 -0.519 37.4-124.7 -74.7 163.4 12.2 44.3 136.1 57 64 A A S S- 0 0 27 -38,-2.9 -37,-0.1 -2,-0.2 -1,-0.1 0.813 87.2 -5.6 -74.3 -30.0 14.5 42.7 138.7 58 65 A E S S- 0 0 116 2,-0.5 -2,-0.2 -39,-0.4 -39,-0.0 0.101 120.1 -17.0-135.7-121.1 12.5 39.5 138.9 59 66 A H S S+ 0 0 128 -2,-0.0 2,-0.3 46,-0.0 49,-0.1 0.463 113.5 48.4 -85.8 -4.5 9.3 37.9 137.5 60 67 A D - 0 0 30 47,-0.2 -2,-0.5 1,-0.2 47,-0.3 -0.955 53.4-157.9-133.7 150.9 7.4 41.1 136.3 61 68 A F S S- 0 0 3 47,-1.5 2,-0.3 45,-1.0 48,-0.2 0.898 75.6 -33.7 -88.3 -66.3 8.2 44.2 134.2 62 69 A T B -g 109 0C 2 46,-2.2 48,-2.4 -6,-0.1 -36,-0.2 -0.910 31.8-150.6-161.6 134.2 5.5 46.6 135.5 63 70 A A - 0 0 31 -38,-1.4 -36,-0.2 -2,-0.3 2,-0.2 0.436 59.7-118.0 -75.2 -0.3 1.9 46.4 136.7 64 71 A G + 0 0 1 -38,-0.4 -36,-2.5 -39,-0.2 -1,-0.3 -0.552 66.5 1.7 97.7-164.9 1.4 50.0 135.3 65 72 A N B S-f 28 0B 50 -38,-0.2 2,-0.2 -2,-0.2 -36,-0.2 -0.395 83.8-106.0 -62.2 130.8 0.5 53.2 137.0 66 73 A D > - 0 0 18 -38,-2.9 4,-2.9 1,-0.2 5,-0.2 -0.420 27.7-150.1 -60.5 122.0 0.2 52.7 140.8 67 74 A M H > S+ 0 0 75 -2,-0.2 4,-1.9 2,-0.2 5,-0.2 0.877 93.0 52.7 -73.3 -33.9 -3.6 52.8 141.5 68 75 A K H > S+ 0 0 187 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.967 113.3 45.2 -60.2 -51.7 -3.4 54.2 145.0 69 76 A D H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 110.0 56.5 -51.7 -49.8 -1.1 57.0 143.7 70 77 A F H X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.844 105.0 50.6 -56.9 -37.8 -3.5 57.6 140.8 71 78 A M H X S+ 0 0 22 -4,-1.9 4,-1.3 -3,-0.3 -1,-0.2 0.880 109.7 49.0 -75.3 -32.1 -6.5 58.1 143.0 72 79 A G H X S+ 0 0 42 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.899 112.6 51.6 -66.0 -39.2 -4.7 60.7 145.1 73 80 A F H >< S+ 0 0 47 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.908 103.4 54.5 -63.3 -45.3 -3.7 62.3 141.8 74 81 A V H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.873 111.8 47.0 -59.9 -36.2 -7.2 62.5 140.4 75 82 A Q H 3< S+ 0 0 91 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.612 128.3 24.2 -79.6 -13.0 -8.3 64.3 143.6 76 83 A N S << S- 0 0 137 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 -0.462 88.5-167.8-147.2 62.1 -5.3 66.8 143.5 77 84 A P - 0 0 41 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.267 31.0-101.8 -66.7 146.2 -4.2 66.9 139.9 78 85 A N - 0 0 64 1,-0.1 7,-0.1 4,-0.1 -2,-0.0 -0.414 31.0-161.8 -56.4 128.4 -0.9 68.5 138.7 79 86 A A + 0 0 104 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.550 58.1 93.2 -98.9 -10.1 -2.0 72.0 137.3 80 87 A G S S- 0 0 37 1,-0.2 5,-0.1 2,-0.1 -2,-0.0 0.159 96.1 -41.4 -68.1-172.7 1.2 72.5 135.3 81 88 A P > - 0 0 98 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.324 54.5-133.5 -59.3 130.7 2.0 71.7 131.7 82 89 A A G > S+ 0 0 22 1,-0.3 3,-1.9 2,-0.2 6,-0.2 0.875 103.0 63.7 -56.6 -36.8 0.5 68.2 131.0 83 90 A G G 3 S+ 0 0 10 1,-0.3 -1,-0.3 142,-0.1 143,-0.1 0.549 96.2 57.8 -67.1 -7.5 3.8 67.2 129.3 84 91 A Q G < S+ 0 0 117 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.353 73.6 118.5-104.3 7.3 5.7 67.5 132.6 85 92 A V S X> S- 0 0 7 -3,-1.9 3,-1.4 -4,-0.2 4,-1.3 -0.564 81.8-105.5 -71.2 138.7 3.5 65.0 134.4 86 93 A P H 3> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.738 114.2 51.5 -49.1 -44.5 5.9 62.1 135.5 87 94 A P H 3> S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.880 111.5 48.6 -61.7 -37.7 5.0 59.3 133.1 88 95 A F H <> S+ 0 0 0 -3,-1.4 4,-2.6 -6,-0.2 5,-0.2 0.848 107.8 55.8 -67.0 -31.7 5.4 61.7 130.0 89 96 A V H X S+ 0 0 23 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.941 110.4 45.0 -62.1 -46.6 8.8 62.8 131.4 90 97 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.943 112.4 51.3 -60.3 -50.7 9.9 59.1 131.5 91 98 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.893 113.0 44.7 -60.0 -42.7 8.5 58.5 128.0 92 99 A K H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.878 110.9 53.6 -65.9 -40.9 10.3 61.5 126.5 93 100 A S H X S+ 0 0 10 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.889 112.3 45.6 -56.3 -43.3 13.6 60.7 128.3 94 101 A A H >< S+ 0 0 0 -4,-2.5 3,-0.8 2,-0.2 -2,-0.2 0.945 110.7 52.3 -64.6 -48.7 13.4 57.2 126.8 95 102 A A H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 112.7 46.2 -55.6 -37.1 12.5 58.5 123.3 96 103 A R H 3< S+ 0 0 129 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.593 76.6 122.3 -86.3 -14.5 15.5 60.9 123.4 97 104 A L << - 0 0 5 -4,-0.9 4,-0.1 -3,-0.8 -56,-0.1 -0.278 49.2-158.6 -48.4 122.4 18.2 58.4 124.7 98 105 A S + 0 0 32 2,-0.1 -1,-0.2 113,-0.0 112,-0.2 0.700 68.5 74.1 -84.0 -16.7 20.8 58.5 121.9 99 106 A K S S- 0 0 18 1,-0.1 -48,-0.1 111,-0.1 -55,-0.1 -0.517 103.1 -77.7 -95.7 163.5 22.2 55.1 122.8 100 107 A P - 0 0 5 0, 0.0 -48,-2.4 0, 0.0 2,-0.5 -0.378 44.9-157.1 -65.2 138.0 20.6 51.8 122.1 101 108 A L E -c 52 0A 0 -50,-0.2 20,-1.9 -4,-0.1 21,-1.4 -0.979 9.6-173.1-116.9 116.7 17.8 51.0 124.6 102 109 A I E -cd 53 122A 0 -50,-3.0 -48,-2.5 -2,-0.5 2,-0.4 -0.933 4.1-163.2-111.5 138.6 16.9 47.3 125.1 103 110 A I E -cd 54 123A 0 19,-2.1 21,-2.6 -2,-0.4 2,-0.5 -0.956 2.6-161.2-118.4 139.7 13.9 46.2 127.2 104 111 A A E -cd 55 124A 0 -50,-1.6 -48,-0.6 -2,-0.4 2,-0.4 -0.978 11.8-158.4-122.1 127.5 13.3 42.7 128.6 105 112 A V E + d 0 125A 0 19,-3.2 21,-1.5 -2,-0.5 2,-0.3 -0.889 19.5 162.9-115.7 129.5 9.8 41.6 129.6 106 113 A K - 0 0 42 -2,-0.4 -45,-1.0 2,-0.2 23,-0.1 -0.954 62.3 -17.1-128.5 150.0 8.6 38.9 132.0 107 114 A G S S+ 0 0 8 -2,-0.3 23,-2.7 -47,-0.3 -47,-0.2 -0.139 115.2 18.1 59.3-141.1 5.2 38.7 133.6 108 115 A V E + h 0 130C 19 21,-0.2 -46,-2.2 -49,-0.1 -47,-1.5 -0.354 51.6 170.7 -72.8 139.1 2.9 41.8 133.7 109 116 A A E +gh 62 131C 0 21,-2.3 23,-1.5 -48,-0.2 2,-0.4 -0.789 20.0 170.3-144.6 97.5 3.6 44.7 131.4 110 117 A I E > - h 0 132C 23 -48,-2.4 3,-2.5 -2,-0.3 2,-0.4 -0.896 48.9 -31.5-123.6 134.1 0.6 47.1 131.6 111 118 A G T >> S+ 0 0 4 21,-2.8 4,-2.4 -2,-0.4 3,-1.5 -0.406 143.1 19.4 72.4-113.2 -0.1 50.6 130.4 112 119 A I H 3> S+ 0 0 4 -2,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.737 118.1 71.7 -56.2 -24.1 3.2 52.3 130.4 113 120 A G H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.799 110.0 32.2 -63.3 -27.0 4.7 48.7 130.4 114 121 A V H X> S+ 0 0 1 -3,-1.5 3,-0.8 18,-0.3 4,-0.6 0.829 117.8 52.0 -91.0 -46.0 3.5 48.6 126.8 115 122 A T H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.2 0.831 103.2 58.7 -68.1 -28.2 3.9 52.2 125.7 116 123 A I G >X S+ 0 0 5 -4,-2.1 3,-1.7 1,-0.2 4,-0.6 0.806 94.8 66.7 -65.3 -26.7 7.6 52.4 126.9 117 124 A L G X4 S+ 0 0 0 -3,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.812 91.7 62.5 -61.5 -30.3 8.3 49.5 124.5 118 125 A L G << S+ 0 0 19 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.582 102.9 49.4 -74.6 -11.6 7.5 51.9 121.6 119 126 A Q G <4 S+ 0 0 2 -3,-1.7 -1,-0.2 -4,-0.2 2,-0.2 0.496 96.3 88.4 -94.0 -12.1 10.5 54.0 122.8 120 127 A A << - 0 0 0 -3,-0.8 -18,-0.2 -4,-0.6 3,-0.1 -0.608 68.6-143.8 -85.6 153.9 12.9 51.0 123.0 121 128 A D S S+ 0 0 1 -20,-1.9 2,-0.3 1,-0.2 511,-0.2 0.844 86.2 16.8 -77.1 -38.6 15.0 49.8 120.0 122 129 A L E -d 102 0A 2 -21,-1.4 -19,-2.1 509,-0.1 2,-0.4 -0.989 65.9-167.0-139.4 141.0 14.8 46.1 120.8 123 130 A V E -d 103 0A 0 -2,-0.3 58,-2.9 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140 A I + 0 0 2 34,-0.5 3,-0.4 29,-0.3 4,-0.2 -0.872 25.5 170.8-113.4 90.8 -3.2 48.9 127.3 134 141 A P > + 0 0 14 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.397 39.0 111.4 -86.4 5.2 -6.0 49.6 129.8 135 142 A F T 4>S+ 0 0 14 1,-0.2 5,-2.6 2,-0.2 4,-0.5 0.871 77.0 49.1 -52.2 -48.6 -6.4 53.3 129.1 136 143 A V T >45S+ 0 0 3 -3,-0.4 3,-1.4 27,-0.4 -1,-0.2 0.928 112.2 47.0 -58.4 -43.1 -9.8 53.2 127.5 137 144 A S T 345S+ 0 0 56 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.761 108.8 55.8 -76.9 -17.9 -11.4 51.0 130.2 138 145 A L T 3<5S- 0 0 69 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.527 121.4-107.7 -81.4 -4.5 -9.9 53.3 132.9 139 146 A G T < 5S+ 0 0 11 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.637 86.9 107.8 82.3 14.9 -11.7 56.3 131.2 140 147 A L < - 0 0 6 -5,-2.6 309,-0.2 -6,-0.2 -1,-0.1 0.068 58.9-130.1-103.7-147.1 -8.4 57.7 129.9 141 148 A S - 0 0 0 307,-0.1 305,-0.1 -3,-0.1 304,-0.1 -0.907 42.2 -46.4-163.2 179.1 -6.8 57.9 126.5 142 149 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 89,-0.2 -0.168 49.4 179.8 -66.2 153.8 -3.5 57.2 124.7 143 150 A E > + 0 0 7 1,-0.1 3,-1.3 -32,-0.1 81,-0.1 -0.916 55.8 43.1-137.6 175.8 -0.0 58.0 126.1 144 151 A G T 3 S- 0 0 0 -2,-0.3 80,-0.2 1,-0.2 -1,-0.1 0.633 123.1 -71.4 68.1 13.8 3.6 57.6 125.0 145 152 A G T >> S+ 0 0 0 78,-0.2 4,-3.3 79,-0.2 3,-1.9 0.618 94.4 140.5 81.4 11.6 2.8 58.6 121.4 146 153 A A H <>> + 0 0 1 -3,-1.3 4,-1.3 1,-0.3 5,-0.9 0.782 56.8 70.9 -64.9 -30.1 1.0 55.3 121.0 147 154 A S H 345S+ 0 0 2 1,-0.2 -1,-0.3 3,-0.1 308,-0.1 0.798 121.6 17.1 -55.5 -25.1 -1.8 56.9 118.9 148 155 A Q H <>5S+ 0 0 45 -3,-1.9 4,-2.1 3,-0.1 -2,-0.2 0.779 127.9 49.4-111.2 -46.6 0.8 57.2 116.2 149 156 A L H X5S+ 0 0 30 -4,-3.3 4,-2.5 2,-0.2 -3,-0.2 0.858 112.9 46.8 -63.9 -39.6 3.7 54.9 117.2 150 157 A L H X5S+ 0 0 0 -4,-1.3 4,-2.9 -5,-0.3 5,-0.5 0.893 110.9 52.7 -72.1 -38.1 1.5 51.8 117.8 151 158 A V H > S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.947 123.4 51.4 -59.0 -50.3 -3.9 50.5 112.1 157 164 A H H > S+ 0 0 3 261,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.907 114.6 41.6 -57.1 -46.2 -6.3 47.5 112.6 158 165 A K H > S+ 0 0 52 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.892 113.8 52.2 -70.4 -38.4 -4.3 45.8 115.2 159 166 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.925 110.2 49.3 -62.3 -43.7 -3.5 49.0 117.0 160 167 A A H X>S+ 0 0 0 -4,-3.0 4,-3.3 -5,-0.2 5,-0.5 0.918 109.2 53.7 -62.3 -39.3 -7.2 49.9 117.1 161 168 A E H X5S+ 0 0 13 -4,-2.1 4,-1.6 -5,-0.3 6,-0.5 0.946 114.0 40.1 -59.6 -44.3 -8.0 46.4 118.5 162 169 A L H X5S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -29,-0.3 0.887 122.7 40.9 -75.0 -36.1 -5.5 46.7 121.4 163 170 A L H <5S+ 0 0 4 -4,-2.5 -27,-0.4 -5,-0.2 -2,-0.2 0.933 119.4 41.7 -77.7 -47.1 -6.4 50.3 122.2 164 171 A F H <5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.915 122.2 38.0 -69.4 -43.7 -10.2 50.2 121.7 165 172 A T H < - 0 0 69 -2,-0.3 4,-2.1 -40,-0.2 5,-0.2 -0.182 36.7 -91.9 -99.9-175.1 0.0 37.4 125.2 171 178 A A H > S+ 0 0 0 -42,-0.5 4,-2.7 -44,-0.3 5,-0.2 0.866 122.6 55.8 -67.3 -32.0 3.6 37.4 123.9 172 179 A E H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 109.3 46.5 -66.8 -40.6 2.6 35.9 120.6 173 180 A T H > S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 113.2 49.4 -62.1 -44.7 0.1 38.7 120.0 174 181 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 6,-1.0 0.884 111.7 49.9 -65.7 -35.0 2.8 41.3 121.0 175 182 A L H ><5S+ 0 0 68 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.932 110.0 49.2 -70.1 -45.1 5.3 39.6 118.7 176 183 A Q H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.9 51.0 -58.4 -32.5 2.8 39.7 115.7 177 184 A A T 3<5S- 0 0 3 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.388 116.4-116.8 -86.7 -2.3 2.1 43.4 116.4 178 185 A G T < 5S+ 0 0 16 -3,-1.4 450,-0.3 2,-0.2 -3,-0.2 0.582 83.4 118.7 77.7 11.5 5.9 44.1 116.4 179 186 A L S - 0 0 75 1,-0.2 4,-2.7 -61,-0.1 -1,-0.3 -0.840 67.6-175.3-129.2 94.4 15.8 33.6 129.1 187 194 A A H > S+ 0 0 0 -2,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.870 84.7 47.1 -58.5 -41.2 14.7 37.2 128.4 188 195 A Y H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 112.5 46.9 -73.9 -41.1 17.3 38.7 130.8 189 196 A A H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.911 114.0 50.2 -63.2 -41.4 20.3 36.6 129.5 190 197 A T H X S+ 0 0 37 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.923 109.5 49.7 -63.1 -42.6 19.3 37.4 125.9 191 198 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.899 112.9 48.0 -62.6 -39.6 19.0 41.1 126.6 192 199 A Q H X S+ 0 0 59 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.910 111.2 49.0 -68.9 -41.9 22.5 41.1 128.2 193 200 A A H X S+ 0 0 54 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.861 113.0 48.3 -66.5 -37.6 24.1 39.1 125.3 194 201 A T H X S+ 0 0 25 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.917 110.0 51.3 -64.8 -46.7 22.6 41.5 122.8 195 202 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.891 110.8 49.2 -57.7 -40.7 23.8 44.5 124.9 196 203 A Q H X S+ 0 0 104 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.895 109.2 52.2 -66.6 -42.8 27.4 43.1 125.0 197 204 A H H >< S+ 0 0 86 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.939 110.5 48.5 -57.4 -46.3 27.3 42.5 121.2 198 205 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.875 106.0 56.2 -63.3 -37.4 26.3 46.1 120.7 199 206 A T H 3< S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.764 101.3 58.9 -69.3 -20.9 29.0 47.4 123.0 200 207 A A T << S+ 0 0 84 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.571 96.7 78.4 -79.6 -4.7 31.6 45.6 120.8 201 208 A L S < S- 0 0 17 -3,-1.6 2,-0.2 -4,-0.3 407,-0.1 -0.562 102.1 -75.9 -99.2 163.6 30.4 47.7 117.7 202 209 A P > - 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.422 31.8-146.2 -67.6 129.4 31.4 51.3 117.0 203 210 A L H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.864 98.1 53.3 -57.9 -40.4 29.6 53.8 119.2 204 211 A A H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 107.7 49.4 -67.4 -41.0 29.6 56.4 116.4 205 212 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 114.5 46.4 -59.0 -47.0 27.9 54.0 113.8 206 213 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.932 114.0 46.9 -62.7 -47.2 25.2 53.1 116.4 207 214 A K H X S+ 0 0 104 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.917 115.8 44.8 -61.3 -45.6 24.6 56.7 117.4 208 215 A Q H X S+ 0 0 53 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.865 112.5 50.7 -69.6 -36.1 24.4 57.9 113.8 209 216 A T H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.941 112.5 46.4 -67.5 -46.8 22.2 55.0 112.6 210 217 A K H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.905 109.6 55.0 -60.0 -39.7 19.7 55.6 115.5 211 218 A A H < S+ 0 0 52 -4,-2.1 6,-0.2 -5,-0.2 -2,-0.2 0.909 109.8 47.0 -63.0 -41.9 19.7 59.4 114.9 212 219 A L H >< S+ 0 0 11 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.878 111.0 50.2 -64.8 -43.5 18.7 58.7 111.2 213 220 A M H 3< S+ 0 0 6 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.829 115.6 45.5 -62.5 -32.7 16.0 56.2 112.1 214 221 A K T >< + 0 0 21 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.3 -0.142 69.9 132.1-105.2 41.6 14.7 58.8 114.6 215 222 A H T < S+ 0 0 104 -3,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.751 73.4 54.4 -62.2 -26.6 14.9 61.7 112.2 216 223 A D T >> + 0 0 35 -3,-0.3 4,-1.8 1,-0.2 3,-0.7 0.079 67.3 125.9 -96.5 23.2 11.3 62.7 113.3 217 224 A L H <> S+ 0 0 45 -3,-1.8 4,-2.9 1,-0.3 5,-0.2 0.852 70.1 57.3 -47.0 -42.6 12.1 62.8 117.0 218 225 A D H 3> S+ 0 0 111 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.912 107.9 46.4 -60.3 -42.8 10.7 66.3 117.3 219 226 A Q H <> S+ 0 0 97 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.802 110.7 52.9 -66.0 -35.0 7.3 65.2 115.9 220 227 A I H X S+ 0 0 15 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.913 109.8 48.7 -63.5 -46.4 7.3 62.2 118.3 221 228 A I H X S+ 0 0 10 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.948 110.7 51.1 -58.7 -47.3 7.9 64.5 121.2 222 229 A E H X S+ 0 0 120 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.854 109.4 50.6 -55.4 -40.4 5.0 66.8 119.9 223 230 A C H X S+ 0 0 13 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.945 109.0 50.6 -66.2 -47.9 2.7 63.7 119.7 224 231 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.923 113.3 47.0 -51.5 -44.3 3.6 62.7 123.3 225 232 A D H X S+ 0 0 59 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.876 112.4 46.9 -70.1 -38.8 2.8 66.3 124.5 226 233 A H H X S+ 0 0 95 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.887 112.5 50.4 -77.0 -36.2 -0.5 66.7 122.7 227 234 A E H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.920 106.2 57.4 -57.2 -44.0 -1.6 63.2 123.9 228 235 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.874 103.4 53.2 -59.7 -36.7 -0.7 64.3 127.4 229 236 A E H X S+ 0 0 112 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 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115.4 432 199 B Q H X S+ 0 0 58 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 50.2 -65.1 -43.1 -21.7 41.8 117.5 433 200 B A H X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.903 112.5 46.6 -64.0 -41.4 -19.9 40.7 120.7 434 201 B T H X S+ 0 0 23 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.942 111.3 53.3 -61.6 -46.4 -17.0 43.1 120.1 435 202 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.901 109.5 47.5 -57.3 -44.7 -19.6 45.9 119.4 436 203 B Q H X S+ 0 0 106 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.874 109.9 52.7 -65.0 -39.1 -21.3 45.2 122.7 437 204 B H H < S+ 0 0 84 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.935 111.8 46.9 -59.9 -44.2 -18.0 45.2 124.6 438 205 B L H >< S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.843 106.1 57.2 -68.5 -36.3 -17.2 48.6 123.0 439 206 B T H 3< S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.751 102.3 58.1 -66.5 -18.6 -20.6 50.1 123.8 440 207 B A T 3< S+ 0 0 82 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.571 94.1 84.0 -84.2 -6.4 -19.9 49.2 127.5 441 208 B L S < S- 0 0 16 -3,-1.3 -304,-0.1 -4,-0.3 2,-0.1 -0.543 98.3 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S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.933 111.3 48.3 -53.8 -50.6 29.8 12.2 96.9 863 167 D A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.5 0.939 110.5 53.7 -57.7 -43.8 26.1 12.8 96.5 864 168 D E H X S+ 0 0 16 -4,-2.6 4,-1.3 -5,-0.2 6,-0.4 0.916 114.1 39.0 -57.4 -47.0 25.5 9.3 97.7 865 169 D L H X S+ 0 0 1 -4,-2.4 4,-0.8 2,-0.2 -29,-0.3 0.888 122.6 41.1 -74.9 -37.0 27.5 9.7 100.9 866 170 D L H < S+ 0 0 7 -4,-2.9 -27,-0.4 -5,-0.2 -2,-0.2 0.919 116.4 46.3 -78.4 -43.0 26.4 13.3 101.6 867 171 D F H < S+ 0 0 1 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.910 120.2 35.8 -66.8 -47.6 22.6 13.0 100.8 868 172 D T H < S- 0 0 14 -4,-1.3 -1,-0.2 -5,-0.5 -2,-0.2 0.733 87.1-148.3 -83.1 -19.5 21.9 9.7 102.6 869 173 D A < + 0 0 4 -4,-0.8 -3,-0.1 -5,-0.2 -4,-0.1 0.782 40.0 166.7 50.4 32.3 24.2 10.4 105.6 870 174 D K - 0 0 81 -6,-0.4 -34,-0.6 -5,-0.2 2,-0.2 -0.350 40.5-112.1 -72.7 152.2 24.7 6.6 105.7 871 175 D K E -L 835 0L 137 -36,-0.2 2,-0.3 -3,-0.1 -36,-0.2 -0.550 42.1-177.1 -73.5 150.1 27.4 4.8 107.7 872 176 D F E -L 834 0L 11 -38,-2.7 -38,-3.2 -2,-0.2 2,-0.1 -0.978 16.1-120.4-150.6 160.9 30.0 3.1 105.5 873 177 D N > - 0 0 81 -2,-0.3 4,-2.3 -40,-0.2 5,-0.2 -0.211 35.9 -91.9 -97.9-174.2 33.0 0.9 105.8 874 178 D A H > S+ 0 0 1 -42,-0.5 4,-2.5 1,-0.2 5,-0.2 0.859 122.4 55.4 -65.5 -37.5 36.7 0.9 104.9 875 179 D E H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.940 109.6 46.0 -63.8 -44.7 36.0 -0.8 101.6 876 180 D T H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 112.8 50.8 -61.4 -43.3 33.5 1.9 100.6 877 181 D A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.9 0.874 110.7 49.7 -57.7 -45.0 36.0 4.7 101.7 878 182 D L H ><5S+ 0 0 52 -4,-2.5 3,-1.5 4,-0.2 -2,-0.2 0.931 110.0 48.9 -63.0 -51.5 38.8 3.1 99.7 879 183 D Q H 3<5S+ 0 0 147 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.897 111.8 51.2 -54.0 -40.7 36.6 2.9 96.5 880 184 D A T 3<5S- 0 0 4 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.450 116.2-117.1 -75.2 -3.1 35.6 6.6 97.1 881 185 D G T < 5S+ 0 0 16 -3,-1.5 433,-0.3 2,-0.2 -3,-0.2 0.623 83.8 119.1 77.2 9.6 39.3 7.6 97.4 882 186 D L S - 0 0 73 1,-0.2 4,-2.3 -61,-0.1 -1,-0.3 -0.867 64.8-177.4-126.3 92.6 48.2 -2.2 111.2 890 194 D A H > S+ 0 0 0 -2,-0.6 4,-2.8 -3,-0.3 5,-0.2 0.931 84.7 50.1 -60.5 -43.8 47.1 1.3 110.3 891 195 D Y H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 112.0 45.2 -63.2 -46.2 49.4 2.9 112.9 892 196 D A H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 113.2 51.7 -64.2 -37.8 52.6 1.1 111.9 893 197 D T H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.969 108.2 50.5 -66.3 -46.4 51.9 1.8 108.2 894 198 D A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.951 113.9 46.3 -51.5 -51.2 51.4 5.5 108.9 895 199 D Q H X S+ 0 0 61 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.876 111.2 49.9 -60.4 -45.1 54.7 5.5 110.7 896 200 D A H X S+ 0 0 58 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.902 113.6 46.3 -62.4 -39.6 56.7 3.5 108.1 897 201 D T H X S+ 0 0 25 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.943 111.2 53.3 -68.3 -41.9 55.4 5.8 105.4 898 202 D A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.922 108.2 49.2 -55.2 -49.1 56.3 8.8 107.5 899 203 D Q H X S+ 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X S+ 0 0 6 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.921 115.3 47.7 -65.0 -43.5 58.0 17.6 99.0 910 214 D K H X S+ 0 0 105 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.940 115.1 44.7 -62.2 -48.1 57.2 21.1 100.0 911 215 D Q H X S+ 0 0 59 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.855 113.8 50.6 -66.9 -34.7 57.4 22.4 96.4 912 216 D T H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.900 110.7 47.6 -72.0 -41.8 55.4 19.4 95.1 913 217 D K H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.890 109.1 55.0 -67.0 -36.5 52.6 19.8 97.6 914 218 D A H < S+ 0 0 55 -4,-2.0 6,-0.2 2,-0.2 -1,-0.2 0.899 108.7 47.3 -65.9 -41.4 52.4 23.5 96.9 915 219 D L H >< S+ 0 0 10 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.900 111.6 50.3 -62.4 -43.8 51.9 22.9 93.2 916 220 D M H 3< S+ 0 0 6 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.845 116.5 43.1 -63.4 -32.9 49.2 20.3 93.8 917 221 D K T >< S+ 0 0 24 -4,-2.1 3,-1.7 1,-0.2 -1,-0.3 -0.128 70.5 132.6-107.6 40.7 47.5 22.7 96.1 918 222 D H T < S+ 0 0 101 -3,-1.3 3,-0.3 1,-0.3 -1,-0.2 0.707 73.2 57.7 -58.0 -23.7 47.8 25.8 93.9 919 223 D D T 3> + 0 0 36 -3,-0.3 4,-2.0 1,-0.2 3,-0.4 0.057 67.4 124.8 -95.7 27.9 44.1 26.5 94.6 920 224 D L H <> S+ 0 0 46 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.898 70.1 56.0 -55.2 -43.3 44.6 26.6 98.4 921 225 D D H > S+ 0 0 110 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.894 108.2 47.7 -56.9 -44.1 43.0 30.1 98.6 922 226 D Q H > S+ 0 0 97 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.840 109.6 53.5 -61.2 -38.1 39.8 28.8 96.9 923 227 D I H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 110.6 46.5 -62.8 -44.2 39.8 25.8 99.2 924 228 D I H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.914 111.1 52.6 -65.1 -42.4 39.9 28.2 102.3 925 229 D E H X S+ 0 0 105 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.917 109.5 49.4 -57.5 -45.2 37.2 30.3 100.7 926 230 D C H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 -78,-0.3 0.924 109.3 51.4 -62.4 -44.9 35.0 27.2 100.3 927 231 D I H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -80,-0.2 0.912 113.9 43.7 -56.2 -44.9 35.5 26.2 103.9 928 232 D D H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.865 112.9 51.8 -70.6 -38.0 34.5 29.7 105.2 929 233 D H H X S+ 0 0 25 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.959 111.7 46.3 -63.9 -49.2 31.5 29.9 102.8 930 234 D E H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.2 0.858 108.7 58.8 -53.8 -39.2 30.3 26.5 104.0 931 235 D A H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.924 103.4 49.6 -63.7 -42.3 30.9 27.7 107.6 932 236 D E H X S+ 0 0 32 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.943 114.9 44.5 -64.4 -42.4 28.6 30.7 107.3 933 237 D I H X S+ 0 0 13 -4,-1.8 4,-0.8 2,-0.2 3,-0.3 0.924 112.7 51.6 -62.1 -46.4 25.8 28.5 105.9 934 238 D F H >X S+ 0 0 18 -4,-3.1 4,-2.6 1,-0.2 3,-1.1 0.924 109.0 50.4 -56.1 -47.9 26.5 25.8 108.5 935 239 D M H 3< S+ 0 0 61 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.735 97.3 66.9 -70.1 -22.6 26.2 28.3 111.3 936 240 D Q H 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.803 112.9 35.5 -63.1 -29.4 22.9 29.7 110.0 937 241 D R H << 0 0 85 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.900 360.0 360.0 -84.0 -53.2 21.6 26.3 111.0 938 242 D V < 0 0 63 -4,-2.6 -3,-0.1 -5,-0.1 -4,-0.0 0.752 360.0 360.0 -75.6 360.0 23.7 25.7 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0 0 0 -4,-2.7 4,-0.8 1,-0.2 -29,-0.3 0.850 122.8 41.2 -67.9 -34.9 52.6 8.3 93.8 1320 170 F L H <5S+ 0 0 4 -4,-2.6 -27,-0.4 -5,-0.2 -2,-0.2 0.921 118.9 40.9 -80.9 -45.6 54.3 11.7 93.7 1321 171 F F H <5S+ 0 0 0 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.937 121.3 41.2 -68.4 -48.0 55.5 12.1 97.4 1322 172 F T H < -D 1287 0R 87 -2,-0.3 4,-2.3 -40,-0.2 3,-0.3 -0.399 37.1 -92.3-105.2 176.4 52.5 -2.0 88.5 1328 178 F A H > S+ 0 0 0 -42,-0.6 4,-2.8 1,-0.2 5,-0.2 0.841 122.0 56.5 -54.6 -41.3 49.8 -2.1 85.9 1329 179 F E H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 110.3 44.8 -62.8 -42.0 47.0 -2.9 88.4 1330 180 F T H > S+ 0 0 43 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.888 112.6 51.1 -65.3 -42.9 47.9 0.3 90.3 1331 181 F A H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 6,-1.1 0.911 110.6 50.2 -63.9 -39.5 48.2 2.4 87.1 1332 182 F L H ><5S+ 0 0 56 -4,-2.8 3,-1.0 4,-0.2 -1,-0.2 0.888 110.4 48.1 -62.0 -41.9 44.7 1.1 86.1 1333 183 F Q H 3<5S+ 0 0 137 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.786 110.4 52.5 -72.4 -24.4 43.2 2.0 89.4 1334 184 F A T 3<5S- 0 0 2 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.490 115.3-119.1 -86.4 -1.1 44.7 5.4 89.2 1335 185 F G T < 5S+ 0 0 16 -3,-1.0 -247,-0.3 -4,-0.3 -3,-0.2 0.573 84.6 117.1 71.6 11.1 43.2 5.9 85.7 1336 186 F L S - 0 0 82 1,-0.1 4,-1.8 -61,-0.1 -1,-0.3 -0.928 67.1-178.7-126.1 106.0 48.8 -7.8 73.7 1344 194 F A H > S+ 0 0 0 -2,-0.5 4,-2.4 -3,-0.2 5,-0.2 0.843 81.8 52.5 -79.6 -34.5 49.0 -4.1 74.1 1345 195 F Y H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.794 112.6 48.3 -70.8 -25.2 50.5 -3.2 70.7 1346 196 F A H > S+ 0 0 46 2,-0.2 4,-2.3 3,-0.2 -2,-0.2 0.857 112.2 45.7 -79.1 -42.0 47.6 -5.2 69.1 1347 197 F T H X S+ 0 0 34 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.946 115.4 49.6 -63.8 -45.6 44.8 -3.6 71.2 1348 198 F A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.921 112.9 45.3 -58.1 -48.9 46.4 -0.2 70.5 1349 199 F Q H X S+ 0 0 53 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.899 115.2 47.6 -63.6 -41.2 46.6 -0.8 66.8 1350 200 F A H X S+ 0 0 47 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.877 110.3 51.1 -68.5 -41.7 43.1 -2.2 66.6 1351 201 F T H X S+ 0 0 26 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.941 109.9 50.6 -61.1 -48.3 41.6 0.7 68.6 1352 202 F A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.881 107.6 54.6 -51.2 -45.3 43.3 3.2 66.3 1353 203 F Q H X S+ 0 0 104 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.874 107.4 49.7 -57.9 -44.9 41.9 1.3 63.3 1354 204 F H H < S+ 0 0 81 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.869 110.0 50.0 -61.1 -44.0 38.4 1.7 64.7 1355 205 F L H >< S+ 0 0 1 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.855 103.7 59.2 -67.5 -35.7 38.8 5.5 65.3 1356 206 F T H 3< S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 100.8 57.9 -60.4 -27.5 40.1 6.1 61.7 1357 207 F A T 3< S+ 0 0 81 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.558 96.0 80.4 -76.7 -10.9 36.7 4.7 60.6 1358 208 F L S < S- 0 0 23 -3,-1.5 2,-0.2 -4,-0.2 -290,-0.1 -0.568 101.3 -78.4 -97.4 160.3 34.8 7.4 62.5 1359 209 F P > - 0 0 30 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.374 34.2-146.1 -66.2 133.2 34.3 10.9 61.2 1360 210 F L H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 95.7 54.1 -63.3 -40.6 37.4 13.1 61.7 1361 211 F A H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.857 107.4 51.6 -68.1 -34.0 35.6 16.3 62.4 1362 212 F S H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 112.2 46.5 -62.1 -44.6 33.6 14.7 65.2 1363 213 F L H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.910 114.6 46.7 -64.0 -42.9 36.8 13.4 66.8 1364 214 F K H X S+ 0 0 115 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.945 115.4 44.1 -67.9 -47.7 38.6 16.7 66.5 1365 215 F Q H X S+ 0 0 52 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.826 113.1 52.3 -66.1 -34.0 35.7 18.7 67.8 1366 216 F T H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.953 111.8 45.5 -67.6 -48.0 35.0 16.3 70.7 1367 217 F K H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 110.3 54.0 -63.5 -42.9 38.7 16.4 71.8 1368 218 F A H < S+ 0 0 54 -4,-2.4 6,-0.2 2,-0.2 -1,-0.2 0.896 110.4 47.1 -57.4 -39.4 38.8 20.2 71.6 1369 219 F L H >< S+ 0 0 10 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.885 112.5 49.4 -71.7 -35.9 35.7 20.5 73.9 1370 220 F M H 3< S+ 0 0 7 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.848 117.5 41.9 -70.2 -32.8 37.3 18.0 76.3 1371 221 F K T >< S+ 0 0 20 -4,-2.5 3,-1.9 1,-0.2 -1,-0.3 -0.183 71.0 133.6-105.2 40.4 40.5 20.0 76.2 1372 222 F H T < S+ 0 0 98 -3,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.768 73.1 57.2 -58.1 -25.6 38.8 23.4 76.3 1373 223 F D T >> + 0 0 33 -3,-0.3 4,-2.2 1,-0.2 3,-0.6 0.074 66.6 123.8 -96.2 25.9 41.4 24.3 79.0 1374 224 F L H <> + 0 0 45 -3,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.863 69.4 58.1 -56.7 -37.9 44.4 23.5 76.9 1375 225 F D H 3> S+ 0 0 122 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.913 109.3 45.5 -58.0 -42.8 45.9 27.1 77.4 1376 226 F Q H <> S+ 0 0 91 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.843 109.0 55.2 -65.5 -40.6 45.9 26.4 81.2 1377 227 F I H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.950 109.7 47.5 -57.3 -47.9 47.4 23.0 80.6 1378 228 F I H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.921 110.3 51.4 -60.4 -45.1 50.3 24.6 78.7 1379 229 F E H X S+ 0 0 113 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.869 108.7 52.2 -57.5 -41.3 50.8 27.3 81.4 1380 230 F C H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -78,-0.3 0.923 109.5 48.4 -66.5 -41.8 51.0 24.6 84.1 1381 231 F I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 114.7 46.4 -57.9 -47.2 53.6 22.7 82.1 1382 232 F D H X S+ 0 0 56 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.922 112.9 48.8 -63.4 -42.6 55.6 26.0 81.6 1383 233 F H H X S+ 0 0 86 -4,-3.0 4,-1.8 1,-0.2 5,-0.2 0.933 112.6 47.4 -65.3 -42.3 55.3 27.0 85.3 1384 234 F E H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.896 108.7 57.5 -62.6 -40.3 56.4 23.5 86.5 1385 235 F A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.889 105.8 47.5 -57.5 -43.5 59.3 23.7 84.0 1386 236 F E H X S+ 0 0 100 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.886 115.7 44.9 -71.5 -35.4 60.7 26.9 85.5 1387 237 F I H X S+ 0 0 12 -4,-1.8 4,-1.6 -5,-0.2 3,-0.2 0.887 114.1 51.1 -64.8 -41.6 60.4 25.5 89.1 1388 238 F F H < S+ 0 0 29 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.929 109.7 47.8 -64.1 -44.9 61.9 22.3 87.8 1389 239 F M H < S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.654 104.6 60.5 -76.3 -14.9 64.9 24.0 86.2 1390 240 F Q H < 0 0 153 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.870 360.0 360.0 -71.2 -40.6 65.5 26.1 89.3 1391 241 F R < 0 0 127 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.1 0.165 360.0 360.0 -54.0 360.0 66.0 22.7 91.1