==== 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 31-JUL-03 1Q3N . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.VAINER,V.BELAKHOV,E.RABKIN,T.BAASOV,N.ADIR . 272 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 1 1 1 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 171 0, 0.0 2,-0.2 0, 0.0 192,-0.0 0.000 360.0 360.0 360.0 118.9 83.9 109.6 79.7 2 2 A K - 0 0 173 1,-0.1 2,-0.2 13,-0.0 0, 0.0 -0.511 360.0-114.8 -86.8 156.5 85.4 106.7 77.8 3 3 A Q - 0 0 40 -2,-0.2 191,-0.1 1,-0.1 190,-0.1 -0.502 25.3-108.6 -92.0 159.4 83.8 105.1 74.7 4 4 A K - 0 0 63 189,-2.1 11,-0.5 -2,-0.2 2,-0.4 -0.351 28.2-144.9 -77.2 164.4 82.4 101.6 74.3 5 5 A V + 0 0 75 9,-0.1 2,-0.3 -2,-0.1 9,-0.2 -0.982 20.0 177.3-138.7 124.4 84.3 99.1 72.2 6 6 A V - 0 0 4 7,-1.9 7,-0.2 -2,-0.4 2,-0.1 -0.609 17.3-165.9-125.6 70.3 82.7 96.4 70.0 7 7 A S - 0 0 49 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.364 12.8-160.3 -61.5 127.1 85.5 94.6 68.3 8 8 A I S S- 0 0 8 3,-0.6 2,-0.5 -2,-0.1 -1,-0.1 -0.439 70.4 -57.7-103.0 52.1 84.4 92.5 65.3 9 9 A G S S- 0 0 55 -2,-0.4 -2,-0.1 2,-0.2 101,-0.0 -0.939 121.7 -4.3 115.1-125.9 87.6 90.5 65.5 10 10 A D S S+ 0 0 138 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.2 0.288 119.4 91.7 -88.0 10.5 91.0 92.2 65.1 11 11 A I - 0 0 14 -5,-0.0 -3,-0.6 40,-0.0 2,-0.6 -0.841 64.2-152.2-107.3 142.4 89.1 95.4 64.5 12 12 A N - 0 0 79 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.868 6.1-166.6-122.8 102.4 88.0 97.9 67.2 13 13 A V + 0 0 0 -2,-0.6 -7,-1.9 -7,-0.2 2,-0.3 -0.729 31.6 135.6 -84.3 121.5 84.9 100.0 66.5 14 14 A A - 0 0 0 -2,-0.5 6,-0.2 4,-0.3 -9,-0.1 -0.930 59.4-113.1-155.5 176.7 84.7 102.9 69.0 15 15 A N S S+ 0 0 8 -11,-0.5 -1,-0.1 -2,-0.3 -10,-0.1 0.788 112.1 39.5 -91.3 -29.0 83.9 106.6 69.2 16 16 A D S S+ 0 0 78 2,-0.1 -1,-0.1 249,-0.0 3,-0.1 0.468 103.5 84.8 -97.6 -6.4 87.3 108.0 70.1 17 17 A L S S- 0 0 55 1,-0.2 3,-0.1 248,-0.0 -3,-0.1 -0.440 98.6 -71.9 -90.9 168.1 89.2 105.7 67.9 18 18 A P - 0 0 70 0, 0.0 -4,-0.3 0, 0.0 -1,-0.2 -0.270 67.7 -90.6 -56.2 145.9 90.0 106.1 64.2 19 19 A F - 0 0 0 237,-0.1 2,-0.7 -6,-0.1 205,-0.3 -0.311 32.6-137.0 -65.8 143.0 86.8 105.6 62.1 20 20 A V - 0 0 1 203,-2.1 2,-0.8 -6,-0.2 205,-0.4 -0.886 15.1-141.3-102.3 113.9 86.0 102.2 60.8 21 21 A L B -a 52 0A 0 30,-1.3 32,-1.3 -2,-0.7 2,-0.9 -0.656 13.2-169.5 -81.3 111.5 84.8 102.2 57.2 22 22 A F B +b 226 0B 0 203,-4.2 205,-0.6 -2,-0.8 -1,-0.1 -0.352 32.0 163.7 -92.0 51.0 82.0 99.7 56.6 23 23 A G + 0 0 0 -2,-0.9 2,-0.3 203,-0.2 205,-0.2 -0.184 10.0 103.4 -67.8 162.3 82.3 100.2 52.9 24 24 A G - 0 0 0 203,-0.3 205,-1.9 30,-0.3 2,-0.3 -0.917 59.4 -59.0 167.7-139.4 80.9 97.9 50.3 25 25 A M - 0 0 10 30,-4.1 32,-0.1 -2,-0.3 205,-0.1 -0.890 29.9-124.4-138.8 169.7 78.0 97.5 47.9 26 26 A N S S+ 0 0 40 -2,-0.3 31,-3.2 1,-0.2 -1,-0.2 0.874 83.8 16.1 -80.4 -96.0 74.2 97.4 47.9 27 27 A V B S-i 57 0C 41 29,-0.2 2,-1.1 31,-0.1 -1,-0.2 -0.396 77.5-116.8 -78.6 157.3 72.7 94.2 46.3 28 28 A L + 0 0 2 29,-1.3 3,-0.1 1,-0.2 -1,-0.1 -0.732 46.1 160.0 -97.2 85.5 74.7 91.1 45.7 29 29 A E - 0 0 83 -2,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.926 57.1 -34.7 -67.3 -96.0 74.6 90.7 41.9 30 30 A S > - 0 0 79 1,-0.1 4,-2.4 50,-0.0 3,-0.3 -0.789 53.0-109.9-127.5 171.6 77.5 88.5 40.8 31 31 A R H >>S+ 0 0 133 -2,-0.3 4,-1.4 2,-0.2 5,-0.8 0.958 107.6 63.7 -68.8 -54.1 81.1 87.7 41.8 32 32 A D H 45S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.783 117.8 34.6 -42.3 -29.2 83.1 89.3 39.0 33 33 A L H >5S+ 0 0 30 -3,-0.3 4,-2.6 3,-0.1 -1,-0.2 0.882 118.8 49.2 -91.8 -49.7 81.6 92.5 40.2 34 34 A A H >X5S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 3,-1.2 0.984 114.6 42.4 -52.6 -71.2 81.4 91.9 43.9 35 35 A M H 3X5S+ 0 0 24 -4,-1.4 4,-1.9 1,-0.3 -1,-0.3 0.739 114.3 55.7 -50.2 -22.0 85.0 90.7 44.3 36 36 A R H 3>X S+ 0 0 1 -4,-2.9 4,-3.6 -5,-0.3 3,-1.3 0.987 113.1 34.2 -55.5 -76.4 92.2 100.7 52.7 46 46 A Q H 3< S+ 0 0 125 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.896 118.3 56.0 -43.7 -49.9 95.6 99.0 53.3 47 47 A K H 3< S+ 0 0 143 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.838 123.7 24.1 -54.8 -36.3 97.2 101.6 51.0 48 48 A L H << S- 0 0 39 -4,-2.5 -2,-0.2 -3,-1.3 -1,-0.2 0.538 114.3-110.2-107.1 -10.4 95.8 104.5 53.1 49 49 A G < + 0 0 39 -4,-3.6 -3,-0.2 -5,-0.3 -4,-0.1 0.926 59.1 145.8 77.8 88.0 95.4 102.7 56.4 50 50 A I - 0 0 15 -29,-0.0 -1,-0.2 -32,-0.0 -30,-0.1 -0.918 51.1-113.1-157.9 125.8 91.7 102.2 57.2 51 51 A P - 0 0 45 0, 0.0 -30,-1.3 0, 0.0 2,-0.4 -0.308 43.8-160.9 -55.6 143.1 89.8 99.4 59.0 52 52 A Y B +a 21 0A 13 -32,-0.1 39,-0.7 -30,-0.1 2,-0.4 -0.989 28.5 172.8-141.3 137.7 87.5 97.7 56.5 53 53 A V E -c 91 0B 0 -32,-1.3 39,-0.2 -2,-0.4 40,-0.0 -0.966 29.5-136.5-137.0 114.2 84.5 95.5 56.5 54 54 A F E -c 92 0B 1 37,-1.7 39,-1.2 -2,-0.4 2,-0.3 -0.273 21.4-159.8 -65.8 159.1 82.9 94.7 53.1 55 55 A K E +c 93 0B 3 37,-0.2 -30,-4.1 172,-0.1 2,-0.3 -0.983 20.9 150.7-148.4 133.6 79.1 94.9 52.9 56 56 A A - 0 0 0 37,-1.3 2,-0.4 -2,-0.3 -29,-0.2 -0.971 35.4-124.1-159.8 145.5 76.6 93.4 50.5 57 57 A S B -i 27 0C 7 -31,-3.2 -29,-1.3 -2,-0.3 3,-0.1 -0.756 7.7-165.0 -96.8 142.2 73.0 92.3 50.7 58 58 A F S S+ 0 0 1 -2,-0.4 15,-1.7 37,-0.3 2,-0.3 0.195 77.3 24.8-105.4 11.9 71.9 88.8 49.6 59 59 A D - 0 0 29 12,-0.2 2,-0.4 13,-0.1 12,-0.2 -0.949 55.5-149.8-171.5 151.1 68.2 89.8 49.5 60 60 A K - 0 0 47 10,-1.2 -33,-0.0 -2,-0.3 11,-0.0 -0.772 9.5-173.5-128.6 84.4 65.8 92.7 49.0 61 61 A A S S+ 0 0 57 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.471 77.8 34.5 -57.9 2.3 62.7 91.9 51.0 62 62 A N + 0 0 75 8,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.974 62.1 126.3-161.2 144.2 61.4 95.0 49.3 63 63 A R S S- 0 0 124 -2,-0.3 3,-0.1 177,-0.0 177,-0.0 -0.456 72.6 -60.4-157.9-127.5 61.6 97.0 46.0 64 64 A S S S+ 0 0 113 1,-0.2 2,-0.3 -2,-0.2 -2,-0.0 0.106 107.1 13.3-127.7 20.7 59.0 98.3 43.5 65 65 A S - 0 0 67 1,-0.1 3,-0.4 4,-0.0 -1,-0.2 -0.919 62.2-120.5 175.6 159.4 57.3 95.1 42.5 66 66 A I S S+ 0 0 139 -2,-0.3 2,-2.4 1,-0.2 -1,-0.1 0.927 106.3 60.3 -78.3 -51.0 56.8 91.4 43.1 67 67 A H S S+ 0 0 193 2,-0.1 -1,-0.2 3,-0.0 2,-0.2 -0.145 91.8 116.1 -73.5 45.2 58.1 90.0 39.8 68 68 A S S S- 0 0 26 -2,-2.4 2,-0.9 -3,-0.4 -5,-0.0 -0.508 81.2 -77.0-108.1 177.4 61.4 91.6 40.8 69 69 A Y - 0 0 97 1,-0.2 -2,-0.1 -2,-0.2 -9,-0.1 -0.675 39.0-173.6 -81.6 101.6 64.9 90.3 41.6 70 70 A R - 0 0 102 -2,-0.9 -10,-1.2 1,-0.2 -1,-0.2 0.991 43.5-110.1 -54.5 -68.5 64.8 88.9 45.1 71 71 A G - 0 0 17 -12,-0.2 -1,-0.2 1,-0.1 -12,-0.2 -0.941 46.1 -48.2 157.4-172.9 68.5 88.2 45.3 72 72 A P S S- 0 0 32 0, 0.0 4,-0.4 0, 0.0 -13,-0.1 0.853 89.6-113.7 -55.6 -31.3 70.9 85.3 45.4 73 73 A G > - 0 0 25 -15,-1.7 4,-2.3 3,-0.2 5,-0.2 -0.117 26.1 -81.8 108.5 150.3 68.7 83.8 48.1 74 74 A L H > S+ 0 0 56 2,-0.2 4,-1.0 3,-0.2 -1,-0.1 0.912 130.2 39.6 -50.5 -47.1 69.5 83.2 51.8 75 75 A E H >> S+ 0 0 119 2,-0.2 3,-1.6 1,-0.2 4,-1.3 0.999 120.4 39.0 -66.9 -69.9 71.3 80.0 50.9 76 76 A E H 3> S+ 0 0 71 -4,-0.4 4,-1.3 1,-0.3 -1,-0.2 0.708 110.5 66.2 -56.6 -18.7 73.1 80.9 47.7 77 77 A G H 3X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.849 98.7 48.5 -72.7 -33.9 73.8 84.2 49.3 78 78 A M H X S+ 0 0 95 -4,-2.1 4,-1.3 1,-0.2 3,-0.5 0.908 99.8 49.1 -35.6 -71.5 82.5 82.7 52.0 83 83 A E H >X S+ 0 0 73 -4,-1.2 4,-2.0 1,-0.2 3,-0.7 0.885 109.4 47.1 -36.4 -75.2 84.8 82.9 49.0 84 84 A L H 3X S+ 0 0 4 -4,-0.9 4,-1.0 1,-0.2 5,-0.4 0.827 105.5 63.7 -41.5 -43.0 85.8 86.6 49.0 85 85 A K H XX>S+ 0 0 45 -4,-2.1 4,-2.7 -3,-0.5 3,-1.1 0.945 110.3 34.9 -47.7 -60.2 86.5 86.4 52.8 86 86 A Q H <<5S+ 0 0 164 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.784 113.5 63.7 -66.7 -26.7 89.3 83.9 52.4 87 87 A T H 3<5S+ 0 0 68 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.592 122.9 10.8 -75.4 -12.1 90.3 85.7 49.1 88 88 A F H <<5S- 0 0 53 -3,-1.1 -2,-0.2 -4,-1.0 -3,-0.2 0.570 93.1-117.0-140.6 -21.6 91.1 89.0 50.8 89 89 A G T <5S+ 0 0 66 -4,-2.7 2,-0.3 -5,-0.4 -3,-0.1 0.932 70.5 120.0 78.2 47.6 91.3 88.7 54.6 90 90 A V < - 0 0 13 -5,-0.7 -1,-0.3 -6,-0.2 2,-0.2 -0.949 61.0-108.3-139.5 157.9 88.4 91.0 55.4 91 91 A K E -c 53 0B 26 -39,-0.7 -37,-1.7 -2,-0.3 2,-0.3 -0.566 25.6-139.3 -90.9 151.9 85.1 90.7 57.3 92 92 A I E -c 54 0B 0 -2,-0.2 18,-2.2 -39,-0.2 19,-1.5 -0.850 10.0-163.1-112.6 148.1 81.6 90.7 55.7 93 93 A I E +cd 55 111B 0 -39,-1.2 -37,-1.3 -2,-0.3 2,-0.3 -0.994 14.8 169.1-131.9 124.8 78.5 92.4 57.0 94 94 A T E - d 0 112B 0 17,-1.1 19,-1.7 -2,-0.4 2,-0.2 -0.997 30.1-117.8-141.2 145.3 75.0 91.6 55.7 95 95 A D E - d 0 113B 9 -2,-0.3 -37,-0.3 17,-0.2 2,-0.3 -0.509 23.1-152.9 -80.8 142.2 71.4 92.4 56.8 96 96 A V - 0 0 0 17,-1.6 32,-0.0 -2,-0.2 4,-0.0 -0.837 13.4-177.2-113.7 153.7 68.9 89.7 57.8 97 97 A H + 0 0 19 -2,-0.3 -1,-0.1 1,-0.3 27,-0.1 0.735 65.5 48.2-118.5 -42.3 65.1 89.9 57.6 98 98 A E S > S- 0 0 120 1,-0.1 4,-0.9 26,-0.0 -1,-0.3 -0.873 83.9-116.2-108.0 138.7 63.5 86.7 59.1 99 99 A P H >> S+ 0 0 58 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.829 111.6 59.1 -32.1 -55.7 64.5 85.3 62.5 100 100 A S H >4 S+ 0 0 82 1,-0.3 3,-0.7 2,-0.2 -4,-0.0 0.918 95.2 58.9 -40.4 -74.8 65.8 82.2 60.9 101 101 A Q H 3> S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.713 92.2 77.3 -26.1 -42.5 68.5 83.8 58.7 102 102 A A H XX S+ 0 0 4 -3,-1.2 4,-1.9 -4,-0.9 3,-0.5 0.905 98.2 34.9 -37.6 -79.0 70.0 85.2 61.9 103 103 A Q H 4 S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.895 115.1 40.2 -53.6 -43.6 72.8 80.7 59.7 105 105 A V H XX S+ 0 0 0 -4,-2.6 4,-2.3 -3,-0.5 3,-0.7 0.716 99.9 75.8 -77.8 -23.7 74.5 84.0 58.7 106 106 A A H 3< S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.4 -3,-0.1 0.690 96.9 49.2 -62.2 -18.0 75.9 84.3 62.2 107 107 A D T << S+ 0 0 121 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.687 115.1 40.3 -94.6 -22.4 78.5 81.7 61.3 108 108 A V T <4 S+ 0 0 17 -3,-0.7 -16,-0.2 -4,-0.4 -2,-0.2 0.873 111.4 50.0 -93.7 -45.7 79.6 83.1 58.0 109 109 A V < - 0 0 9 -4,-2.3 -16,-0.2 -18,-0.1 3,-0.1 -0.294 60.6-146.5 -92.0 177.4 79.8 86.8 58.6 110 110 A D S S+ 0 0 50 -18,-2.2 2,-0.3 1,-0.3 -17,-0.2 0.484 88.6 39.1-117.5 -14.2 81.5 89.0 61.3 111 111 A V E -d 93 0B 0 -19,-1.5 -17,-1.1 22,-0.1 2,-0.4 -0.906 67.8-162.6-143.1 111.8 78.9 91.8 61.4 112 112 A I E -de 94 135B 0 22,-2.5 24,-2.3 -2,-0.3 2,-0.3 -0.777 12.7-149.3 -97.2 136.8 75.1 91.3 61.1 113 113 A Q E -de 95 136B 7 -19,-1.7 -17,-1.6 -2,-0.4 24,-0.2 -0.694 4.9-141.6-104.4 157.4 72.9 94.2 60.3 114 114 A L E - e 0 137B 0 22,-2.1 24,-1.4 -2,-0.3 5,-0.1 -0.972 27.2-117.8-120.9 117.6 69.3 95.0 61.2 115 115 A P >> - 0 0 16 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.260 19.9-127.3 -54.8 133.4 67.0 96.5 58.6 116 116 A A G >4 S+ 0 0 9 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.875 108.2 51.7 -47.8 -52.4 65.7 100.0 59.6 117 117 A F G 34 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.520 113.8 47.0 -67.3 -4.1 62.0 99.2 59.0 118 118 A L G X4 S+ 0 0 42 -3,-2.0 3,-2.0 1,-0.1 -1,-0.3 0.411 76.8 114.1-113.0 -5.2 62.5 96.2 61.2 119 119 A A T << S+ 0 0 3 -3,-1.6 -2,-0.1 -4,-0.6 -3,-0.1 0.746 82.5 41.6 -35.1 -40.2 64.4 98.2 63.9 120 120 A R T 3 S+ 0 0 144 -4,-0.3 2,-0.8 -3,-0.1 -1,-0.3 -0.266 78.7 123.2-110.6 46.2 61.5 97.6 66.3 121 121 A Q X> - 0 0 102 -3,-2.0 4,-3.0 1,-0.2 3,-1.1 -0.759 37.0-174.5-108.5 85.1 60.7 93.9 65.6 122 122 A T H 3>>S+ 0 0 69 -2,-0.8 4,-3.3 1,-0.3 5,-0.6 0.903 80.5 58.5 -40.7 -65.1 61.1 92.1 68.9 123 123 A D H 3>5S+ 0 0 124 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.843 117.3 36.8 -36.6 -43.2 60.6 88.6 67.6 124 124 A L H <>5S+ 0 0 6 -3,-1.1 4,-4.3 2,-0.2 5,-0.4 0.912 115.8 51.4 -78.8 -46.1 63.6 89.3 65.4 125 125 A V H X5S+ 0 0 3 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.951 113.6 44.9 -55.1 -52.0 65.6 91.4 67.8 126 126 A E H X5S+ 0 0 126 -4,-3.3 4,-0.9 2,-0.2 -1,-0.2 0.873 117.5 49.2 -58.6 -37.1 65.2 88.6 70.5 127 127 A A H >X< S+ 0 0 1 -4,-1.3 3,-0.9 -5,-0.4 31,-0.6 0.916 83.4 63.9 -65.2 -45.6 70.1 88.4 70.0 130 130 A K H << S+ 0 0 186 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.922 91.1 62.9 -43.2 -63.6 71.1 84.7 70.4 131 131 A T H 3< S- 0 0 32 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 83.0-156.8 -32.1 -49.3 74.0 84.8 68.0 132 132 A G << + 0 0 26 -3,-0.9 2,-0.5 -4,-0.7 -1,-0.2 0.625 44.0 139.6 74.7 10.7 75.8 87.3 70.1 133 133 A A - 0 0 21 -5,-0.3 -1,-0.3 1,-0.2 -21,-0.3 -0.784 69.2 -72.9 -93.5 130.1 77.7 88.3 67.0 134 134 A V - 0 0 4 -2,-0.5 -22,-2.5 -127,-0.2 2,-0.4 0.304 55.7-156.1 -17.2 128.5 78.3 92.0 66.4 135 135 A I E -ef 112 163B 0 27,-1.9 29,-1.5 -24,-0.2 2,-0.5 -0.953 12.8-156.9-123.7 138.7 75.1 93.8 65.4 136 136 A N E -ef 113 164B 0 -24,-2.3 -22,-2.1 -2,-0.4 2,-0.8 -0.967 12.6-153.9-114.4 119.9 74.6 97.1 63.5 137 137 A V E -ef 114 165B 0 27,-3.3 29,-2.7 -2,-0.5 2,-0.2 -0.824 8.0-145.5 -99.5 106.4 71.3 98.8 64.2 138 138 A K E - f 0 166B 17 -24,-1.4 29,-0.2 -2,-0.8 -19,-0.1 -0.477 20.1-127.5 -68.1 137.2 70.1 100.9 61.3 139 139 A K E - f 0 167B 6 27,-2.8 29,-0.7 -2,-0.2 -23,-0.1 -0.786 20.2-125.5 -95.2 110.4 68.3 104.0 62.6 140 140 A P > - 0 0 2 0, 0.0 3,-1.3 0, 0.0 29,-0.1 -0.075 12.4-128.5 -49.7 147.4 64.8 104.5 61.1 141 141 A Q T 3 S+ 0 0 28 1,-0.3 30,-1.7 29,-0.1 -2,-0.0 0.719 108.4 54.5 -71.2 -20.2 64.1 107.9 59.6 142 142 A F T 3 S+ 0 0 116 28,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.171 91.6 90.3-100.2 16.2 61.0 108.2 61.7 143 143 A V S < S- 0 0 13 -3,-1.3 5,-0.1 -4,-0.1 -4,-0.0 -0.964 74.5-125.2-121.3 127.1 62.6 107.6 65.0 144 144 A S > - 0 0 74 -2,-0.5 3,-2.0 1,-0.1 4,-0.4 -0.360 26.0-120.5 -63.4 138.5 64.0 110.2 67.4 145 145 A P G > S+ 0 0 24 0, 0.0 3,-4.2 0, 0.0 4,-0.3 0.933 110.0 58.5 -45.8 -60.3 67.7 109.6 68.4 146 146 A G G > S+ 0 0 30 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.667 94.1 68.8 -47.9 -15.6 67.0 109.4 72.1 147 147 A Q G X> S+ 0 0 99 -3,-2.0 4,-0.9 1,-0.2 3,-0.7 0.676 77.9 83.6 -78.6 -13.7 64.7 106.6 71.4 148 148 A M H <> S+ 0 0 2 -3,-4.2 4,-1.5 -4,-0.4 -1,-0.2 0.772 73.7 73.0 -59.4 -27.1 67.7 104.5 70.4 149 149 A G H <> S+ 0 0 6 -3,-0.8 4,-1.9 -4,-0.3 -1,-0.2 0.905 94.6 49.5 -55.8 -47.0 68.4 103.6 74.0 150 150 A N H <> S+ 0 0 86 -3,-0.7 4,-2.9 -4,-0.3 5,-0.3 0.891 107.4 53.7 -62.5 -40.4 65.5 101.2 74.3 151 151 A I H < S+ 0 0 18 -4,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.833 109.7 49.4 -64.1 -31.5 66.4 99.3 71.1 152 152 A V H X S+ 0 0 20 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.868 112.9 48.1 -74.2 -35.9 69.9 98.8 72.5 153 153 A D H X S+ 0 0 73 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.983 103.2 56.8 -68.1 -59.2 68.5 97.5 75.8 154 154 A K H X S+ 0 0 80 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.707 112.6 48.0 -46.2 -19.2 65.9 95.1 74.3 155 155 A F H > S+ 0 0 0 -4,-0.4 4,-1.7 -5,-0.3 -1,-0.2 0.922 108.8 48.0 -87.1 -55.2 69.0 93.6 72.7 156 156 A K H >< S+ 0 0 114 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.938 111.0 56.2 -47.7 -50.2 71.3 93.5 75.7 157 157 A E H 3< S+ 0 0 152 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.921 103.6 50.5 -47.6 -56.6 68.4 91.9 77.5 158 158 A G H 3< S- 0 0 44 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.807 129.9 -93.6 -54.9 -30.2 68.0 89.0 75.0 159 159 A G S << S+ 0 0 47 -4,-1.7 -29,-0.1 -3,-0.8 -1,-0.1 -0.464 92.4 103.9 152.6 -72.1 71.8 88.4 75.4 160 160 A N + 0 0 5 -31,-0.6 -1,-0.5 1,-0.1 -2,-0.1 -0.103 32.8 173.5 -45.7 129.3 73.9 90.2 72.8 161 161 A E + 0 0 120 -29,-0.2 2,-0.6 -3,-0.1 -1,-0.1 0.070 53.1 93.0-127.4 19.9 75.6 93.2 74.3 162 162 A K + 0 0 75 -7,-0.1 -27,-1.9 -156,-0.1 2,-0.3 -0.846 56.0 153.7-118.2 92.8 77.8 94.1 71.3 163 163 A V E -f 135 0B 3 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.828 29.5-159.2-124.0 159.3 75.8 96.7 69.2 164 164 A I E -f 136 0B 0 -29,-1.5 -27,-3.3 -2,-0.3 2,-0.5 -0.944 14.7-138.7-132.6 150.9 76.4 99.5 66.7 165 165 A L E -fg 137 196B 0 30,-2.5 32,-2.9 -2,-0.3 2,-0.5 -0.961 14.0-164.4-119.1 122.2 74.2 102.4 65.8 166 166 A C E -fg 138 197B 0 -29,-2.7 -27,-2.8 -2,-0.5 2,-0.5 -0.917 5.2-154.5-111.5 123.5 73.8 103.6 62.2 167 167 A D E +fg 139 198B 2 30,-2.3 32,-3.2 -2,-0.5 35,-0.1 -0.817 19.7 169.3 -97.2 128.3 72.3 107.0 61.2 168 168 A R - 0 0 29 -29,-0.7 -1,-0.1 -2,-0.5 -27,-0.1 0.144 55.6 -95.7-120.2 16.5 70.7 107.4 57.8 169 169 A G - 0 0 0 -29,-0.1 -1,-0.4 8,-0.1 2,-0.3 -0.264 39.2 -85.7 96.4 177.1 69.0 110.7 58.3 170 170 A A E -J 178 0D 32 8,-3.0 8,-1.8 33,-0.1 2,-0.3 -0.890 42.0 -90.6-126.6 155.4 65.5 111.9 59.3 171 171 A N E -J 177 0D 80 -30,-1.7 2,-0.6 -2,-0.3 6,-0.2 -0.478 34.0-171.3 -67.9 125.5 62.3 112.5 57.5 172 172 A F - 0 0 134 4,-3.3 2,-0.1 -2,-0.3 -1,-0.1 -0.750 60.4 -58.0-121.6 79.8 62.0 116.2 56.3 173 173 A G S S- 0 0 63 -2,-0.6 3,-0.5 2,-0.0 2,-0.3 -0.474 106.9 -13.9 79.7-153.8 58.4 116.5 55.0 174 174 A Y S S- 0 0 216 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.632 129.7 -7.6 -86.8 139.1 57.4 114.2 52.2 175 175 A D S S+ 0 0 149 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.902 107.4 101.9 49.9 55.5 60.0 112.3 50.3 176 176 A N - 0 0 66 -3,-0.5 -4,-3.3 2,-0.0 2,-0.3 -0.926 49.3-157.8-167.0 140.2 63.1 113.9 51.8 177 177 A L E -J 171 0D 23 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.849 6.2-174.8-118.6 155.9 65.8 113.2 54.4 178 178 A V E -J 170 0D 69 -8,-1.8 -8,-3.0 -2,-0.3 2,-0.7 -0.977 24.3-127.0-147.2 139.4 68.1 115.5 56.3 179 179 A V - 0 0 19 -2,-0.3 2,-1.4 -10,-0.3 3,-0.1 -0.816 11.2-146.7 -95.9 116.2 70.9 114.5 58.6 180 180 A D >> - 0 0 88 -2,-0.7 3,-3.8 1,-0.2 4,-0.6 -0.636 6.9-163.4 -79.7 93.8 70.8 115.9 62.1 181 181 A M T 34 S+ 0 0 53 -2,-1.4 4,-0.4 1,-0.3 3,-0.3 0.756 89.3 61.7 -48.0 -24.0 74.5 116.2 62.8 182 182 A L T 3> S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.477 84.2 76.9 -83.3 -3.7 73.4 116.6 66.4 183 183 A G H <> S+ 0 0 2 -3,-3.8 4,-2.7 1,-0.2 -1,-0.2 0.923 84.4 63.0 -70.8 -43.0 71.8 113.2 66.5 184 184 A F H X S+ 0 0 0 -4,-0.6 4,-1.2 -3,-0.3 -1,-0.2 0.884 106.2 42.9 -46.3 -52.5 75.2 111.4 66.8 185 185 A S H >> S+ 0 0 70 -4,-0.4 4,-1.8 2,-0.2 3,-0.7 0.934 116.2 46.9 -62.6 -47.2 76.0 113.0 70.2 186 186 A I H 3X S+ 0 0 78 -4,-1.4 4,-1.1 1,-0.3 -1,-0.2 0.800 111.4 56.3 -62.6 -29.1 72.5 112.5 71.5 187 187 A M H 3< S+ 0 0 0 -4,-2.7 4,-0.4 2,-0.2 -1,-0.3 0.733 104.0 50.4 -77.3 -25.0 72.9 109.0 70.1 188 188 A K H X<>S+ 0 0 29 -4,-1.2 5,-2.2 -3,-0.7 3,-1.4 0.975 105.0 58.6 -74.6 -56.3 76.1 108.2 72.1 189 189 A K H ><5S+ 0 0 147 -4,-1.8 3,-0.7 1,-0.3 4,-0.4 0.847 110.7 36.1 -31.6 -76.9 74.6 109.3 75.4 190 190 A V T 3<5S+ 0 0 40 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.609 109.6 68.6 -62.2 -14.1 71.6 107.0 75.7 191 191 A S T X 5S- 0 0 3 -3,-1.4 3,-2.6 -4,-0.4 -1,-0.3 -0.123 115.8-104.8-100.5 38.9 73.5 104.2 74.1 192 192 A G T < 5S- 0 0 58 -3,-0.7 -3,-0.2 1,-0.3 -2,-0.1 0.806 78.5 -64.5 44.6 28.0 76.0 103.5 76.9 193 193 A N T 3 > S+ 0 0 0 -2,-1.1 3,-2.3 26,-1.0 4,-0.6 0.960 71.1 49.8 -70.2 -55.2 75.8 108.6 53.9 201 201 A T G >4 S+ 0 0 0 25,-0.5 41,-1.1 1,-0.3 3,-1.0 0.901 116.1 44.6 -52.2 -44.2 74.7 106.9 50.7 202 202 A H G 34 S+ 0 0 43 1,-0.2 -1,-0.3 24,-0.2 -2,-0.2 0.089 108.4 58.5 -96.3 22.6 71.5 105.7 52.4 203 203 A A G <4 S+ 0 0 6 -3,-2.3 -1,-0.2 39,-0.1 -2,-0.2 0.235 105.3 51.3-107.0 -6.0 71.1 109.2 53.8 204 204 A L << 0 0 16 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.093 360.0 360.0-115.8 18.0 71.1 110.6 50.3 205 205 A Q 0 0 76 -5,-0.1 35,-0.4 37,-0.1 -3,-0.2 0.829 360.0 360.0 52.1 360.0 68.4 108.2 49.0 206 ! 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 0.0 207 218 A R > 0 0 158 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 142.5 75.3 113.0 43.6 208 219 A A T 3 + 0 0 98 1,-0.2 4,-0.4 2,-0.1 0, 0.0 0.136 360.0 70.7 -77.5 21.3 78.2 115.5 44.0 209 220 A Q T 3> + 0 0 77 2,-0.1 4,-2.6 3,-0.1 5,-0.4 0.662 67.2 87.6-107.6 -27.7 76.8 115.8 47.5 210 221 A V H <> S+ 0 0 5 -3,-1.3 4,-1.1 1,-0.2 -2,-0.1 0.775 96.7 44.4 -39.9 -33.6 77.9 112.4 48.7 211 222 A A H > S+ 0 0 32 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.984 110.4 45.5 -77.6 -71.9 81.2 114.1 49.6 212 223 A E H > S+ 0 0 100 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.847 116.3 50.0 -42.6 -43.5 80.3 117.4 51.3 213 224 A L H X S+ 0 0 33 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.959 108.8 50.4 -63.4 -50.6 77.8 115.6 53.4 214 225 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 -5,-0.4 -1,-0.2 0.744 106.0 58.2 -59.4 -26.0 80.3 112.9 54.4 215 226 A R H X S+ 0 0 102 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.948 105.2 48.0 -69.7 -47.6 82.8 115.5 55.4 216 227 A A H < S+ 0 0 46 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.835 109.7 53.1 -62.8 -35.8 80.4 117.2 58.0 217 228 A G H >X S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 4,-0.5 0.978 109.8 47.0 -63.6 -54.2 79.5 113.9 59.5 218 229 A M H >< S+ 0 0 1 -4,-1.7 3,-1.4 1,-0.3 4,-0.4 0.844 101.5 64.4 -54.1 -41.2 83.1 112.9 60.1 219 230 A A T 3< S+ 0 0 58 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.462 95.1 64.3 -65.3 0.3 84.1 116.3 61.6 220 231 A V T <4 S- 0 0 52 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.774 118.6-104.6 -92.5 -31.2 81.6 115.4 64.4 221 232 A G << + 0 0 10 -3,-1.4 2,-0.2 -4,-0.5 -2,-0.1 0.776 51.9 176.8 104.5 78.5 83.6 112.4 65.6 222 233 A L - 0 0 0 -4,-0.4 -25,-0.2 1,-0.1 3,-0.1 -0.725 42.9-119.6-113.5 163.6 82.0 109.2 64.6 223 234 A A S S- 0 0 0 -27,-3.4 -203,-2.1 -2,-0.2 2,-0.3 0.937 81.7 -67.2 -64.2 -41.1 83.0 105.5 65.0 224 235 A G E - h 0 197B 0 -28,-0.9 -26,-1.6 -205,-0.3 2,-0.3 -0.989 52.3 -70.3 177.2-170.4 83.0 105.3 61.2 225 236 A L E - h 0 198B 0 -205,-0.4 -203,-4.2 -2,-0.3 2,-0.5 -0.812 16.1-156.2-114.3 152.0 81.3 105.3 57.8 226 237 A F E +bh 22 199B 2 -28,-1.7 -26,-1.0 -2,-0.3 -25,-0.5 -0.997 33.1 163.2-123.3 119.7 78.9 103.0 56.0 227 238 A I - 0 0 0 -205,-0.6 2,-0.3 -2,-0.5 -203,-0.3 -0.873 26.2-152.4-136.7 168.1 79.2 103.6 52.2 228 239 A E - 0 0 7 -2,-0.3 16,-3.5 14,-0.2 2,-0.3 -0.991 13.0-178.7-145.3 137.2 78.3 101.9 48.9 229 240 A A E -k 244 0E 3 -205,-1.9 -203,-0.2 -2,-0.3 3,-0.1 -0.973 7.2-168.5-138.0 150.5 79.9 102.2 45.5 230 241 A H E -k 245 0E 38 14,-1.8 16,-0.7 -2,-0.3 17,-0.2 -0.975 31.7-120.1-136.9 145.2 79.3 100.7 42.0 231 242 A P S S+ 0 0 41 0, 0.0 16,-0.3 0, 0.0 -1,-0.1 0.942 108.3 25.5 -50.9 -55.2 81.5 100.8 38.9 232 243 A D > - 0 0 57 1,-0.1 4,-0.8 -3,-0.1 3,-0.4 -0.837 65.5-179.8-117.2 93.3 79.0 102.6 36.8 233 244 A P T 4 S+ 0 0 39 0, 0.0 10,-0.1 0, 0.0 -1,-0.1 0.451 78.1 62.6 -68.7 -0.4 76.7 104.8 39.0 234 245 A E T 4 S+ 0 0 134 2,-0.1 3,-0.3 3,-0.0 -2,-0.0 0.868 106.4 31.6 -95.2 -43.0 74.9 106.0 35.8 235 246 A H T 4 S+ 0 0 149 -3,-0.4 0, 0.0 1,-0.2 0, 0.0 0.974 120.1 44.5 -81.0 -66.0 73.4 102.9 34.2 236 247 A A S < S+ 0 0 48 -4,-0.8 2,-2.9 1,-0.1 -1,-0.2 0.233 81.7 141.3 -65.2 22.0 72.5 100.5 37.0 237 248 A K + 0 0 153 -3,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 -0.381 23.7 145.1 -68.9 71.0 71.2 103.8 38.4 238 249 A C - 0 0 95 -2,-2.9 2,-0.2 1,-0.1 -2,-0.0 0.072 47.6 -77.7 -89.7-155.7 68.1 102.2 39.9 239 250 A D S S+ 0 0 162 3,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.702 82.3 64.2-116.0 167.9 66.4 103.2 43.2 240 251 A G S S+ 0 0 40 -35,-0.4 -177,-0.0 -2,-0.2 0, 0.0 -0.997 101.3 1.7 126.3-121.3 67.0 102.8 46.9 241 252 A P S S- 0 0 20 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.043 77.3-110.1 -83.0-166.7 70.1 104.5 48.2 242 253 A S - 0 0 19 -41,-1.1 -14,-0.2 -3,-0.1 2,-0.2 -0.991 33.4-148.0-130.0 122.2 72.7 106.5 46.1 243 254 A A - 0 0 33 -2,-0.4 -14,-0.3 -10,-0.1 -33,-0.1 -0.486 13.7-108.4 -95.1 161.4 76.1 105.0 45.5 244 255 A L E -k 229 0E 8 -16,-3.5 2,-2.6 -2,-0.2 -14,-1.8 -0.545 33.5-109.0 -86.0 145.7 79.6 106.3 45.1 245 256 A P E > -k 230 0E 54 0, 0.0 3,-3.9 0, 0.0 4,-0.2 -0.474 38.8-144.1 -73.2 76.5 81.4 106.4 41.7 246 257 A L G > S+ 0 0 16 -2,-2.6 3,-3.4 -16,-0.7 4,-0.2 0.557 92.8 65.3 -7.4 -70.0 83.8 103.7 42.9 247 258 A A G 3 S+ 0 0 71 1,-0.3 3,-0.5 -16,-0.3 -1,-0.3 0.795 96.3 63.1 -32.9 -35.7 86.9 105.0 41.1 248 259 A K G <> S+ 0 0 123 -3,-3.9 4,-1.5 1,-0.2 -1,-0.3 0.238 73.0 104.4 -79.6 14.8 86.5 108.0 43.5 249 260 A L H <> S+ 0 0 0 -3,-3.4 4,-3.7 -4,-0.2 5,-0.3 0.981 80.1 41.2 -58.5 -62.1 87.1 105.8 46.5 250 261 A E H > S+ 0 0 48 -3,-0.5 4,-2.3 1,-0.2 5,-0.3 0.950 114.5 47.6 -55.7 -59.5 90.7 106.8 47.3 251 262 A P H > S+ 0 0 69 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.873 120.1 42.9 -52.4 -35.4 90.5 110.6 46.7 252 263 A F H >X S+ 0 0 12 -4,-1.5 4,-1.6 2,-0.2 3,-1.2 0.966 113.9 47.1 -72.3 -58.9 87.3 110.5 48.8 253 264 A L H 3X S+ 0 0 1 -4,-3.7 4,-1.7 1,-0.3 -1,-0.2 0.705 105.2 63.3 -57.9 -20.2 88.5 108.3 51.6 254 265 A K H 3X S+ 0 0 102 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.3 0.892 102.1 50.9 -70.9 -36.1 91.6 110.4 51.7 255 266 A Q H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 3,-0.9 0.886 105.3 56.3 -54.4 -43.9 87.8 111.3 55.5 257 268 A K H 3X>S+ 0 0 63 -4,-1.7 4,-2.1 1,-0.3 5,-0.6 0.893 103.7 52.2 -57.7 -43.1 91.1 110.4 57.0 258 269 A A H 3<5S+ 0 0 60 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.705 120.3 38.0 -66.2 -19.8 92.2 114.0 57.3 259 270 A I H S+ 0 0 37 -4,-0.9 4,-2.4 -3,-0.9 5,-0.5 0.886 117.8 44.1 -89.8 -75.2 88.9 114.4 59.1 260 271 A D H X5S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -3,-0.2 0.839 124.8 36.1 -33.0 -59.4 88.6 111.3 61.2 261 272 A D H X5S+ 0 0 56 -4,-2.1 4,-1.1 -5,-0.3 3,-0.2 0.996 117.8 47.5 -61.5 -69.7 92.2 111.4 62.2 262 273 A L H 4 + 0 0 80 -2,-0.4 3,-0.5 1,-0.1 -2,-0.0 -0.788 19.0 165.9-128.4 88.2 83.6 121.7 76.7 271 282 A T T 3 + 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.442 65.2 91.6 -77.9 1.3 81.6 124.6 75.3 272 283 A S T 3 0 0 91 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.968 360.0 360.0 -57.7 -57.6 79.1 123.6 78.0 273 284 A K < 0 0 211 -3,-0.5 -1,-0.3 0, 0.0 -2,-0.1 -0.533 360.0 360.0-126.9 360.0 80.6 126.0 80.6