==== 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 04-MAY-99 1QGS . COMPND 2 MOLECULE: PROTEIN (SPORE COAT POLYSACCHARIDE BIOSYNTHESIS P . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.J.CHARNOCK . 238 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 27.3 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+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 1 1 0 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 1 0 1 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 . 1 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 2 A P 0 0 55 0, 0.0 89,-0.4 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 152.9 -2.5 33.9 35.3 2 3 A K + 0 0 48 28,-0.8 89,-2.6 87,-0.2 88,-1.0 0.844 360.0 40.5 -70.1 -40.2 -3.7 31.9 38.3 3 4 A V E -ab 31 91A 0 27,-1.7 29,-2.1 86,-0.2 2,-0.5 -0.932 60.5-160.4-120.1 138.9 -0.9 29.3 37.7 4 5 A S E -ab 32 92A 0 87,-2.5 89,-2.2 -2,-0.4 2,-0.5 -0.984 13.2-163.4-114.1 118.3 2.7 29.4 36.7 5 6 A V E -ab 33 93A 0 27,-2.5 29,-3.0 -2,-0.5 2,-0.6 -0.897 5.3-160.3 -99.4 123.5 3.9 26.1 35.4 6 7 A I E -ab 34 94A 0 87,-2.2 89,-2.6 -2,-0.5 2,-0.4 -0.932 10.6-177.0-113.8 107.5 7.7 25.9 35.4 7 8 A M E -ab 35 95A 0 27,-3.0 29,-3.1 -2,-0.6 2,-0.4 -0.875 12.2-152.5-107.8 141.0 9.2 23.3 33.1 8 9 A T E -ab 36 96A 12 87,-1.4 89,-1.0 -2,-0.4 2,-0.4 -0.888 13.7-168.3-110.4 141.4 12.9 22.5 32.8 9 10 A S E +a 37 0A 2 27,-2.8 29,-2.7 -2,-0.4 2,-0.2 -0.981 17.2 160.4-134.7 132.1 14.4 21.1 29.5 10 11 A Y S S- 0 0 97 -2,-0.4 27,-0.0 27,-0.2 -2,-0.0 -0.712 70.3 -44.5-154.8 101.9 17.7 19.6 28.6 11 12 A N S S+ 0 0 58 -2,-0.2 2,-0.2 1,-0.1 3,-0.2 0.771 83.5 128.8 53.8 40.8 18.3 17.4 25.6 12 13 A K >> + 0 0 73 1,-0.1 4,-2.4 2,-0.0 3,-2.0 -0.511 20.4 158.5-119.5 60.9 15.3 15.1 25.7 13 14 A S T 34 + 0 0 16 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.807 69.1 55.9 -55.0 -33.7 14.2 15.6 22.1 14 15 A D T 34 S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.2 4,-0.1 0.478 120.5 28.6 -78.8 -4.9 12.2 12.3 21.9 15 16 A Y T <> S+ 0 0 89 -3,-2.0 4,-1.7 2,-0.1 3,-0.5 0.630 94.9 81.9-121.5 -31.2 10.1 13.2 24.9 16 17 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.853 87.7 58.6 -57.3 -38.7 9.7 17.0 25.3 17 18 A A H > S+ 0 0 34 -4,-0.5 4,-2.9 1,-0.2 5,-0.2 0.911 106.9 47.2 -57.1 -47.5 6.8 17.3 22.7 18 19 A K H > S+ 0 0 126 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.919 114.1 49.4 -59.9 -41.6 4.5 14.9 24.7 19 20 A S H X S+ 0 0 0 -4,-1.7 4,-1.1 78,-0.4 82,-0.4 0.965 114.3 42.6 -59.3 -55.9 5.4 16.8 27.9 20 21 A I H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.8 0.926 113.2 53.1 -60.0 -45.6 4.7 20.2 26.5 21 22 A S H 3X S+ 0 0 52 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.866 103.4 57.5 -57.1 -40.0 1.5 19.1 24.7 22 23 A S H 3< S+ 0 0 9 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.812 110.9 43.5 -62.6 -31.6 0.1 17.6 27.9 23 24 A I H X< S+ 0 0 1 -4,-1.1 3,-1.7 -3,-0.8 -2,-0.2 0.909 111.4 52.2 -78.5 -47.0 0.4 21.0 29.6 24 25 A L H 3< S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.782 109.0 50.8 -63.5 -22.9 -1.0 23.0 26.7 25 26 A S T 3< S+ 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.336 79.6 136.2 -97.7 5.6 -4.1 20.8 26.4 26 27 A Q < - 0 0 8 -3,-1.7 78,-0.2 1,-0.1 -3,-0.1 -0.227 60.7-131.3 -51.7 144.8 -5.0 21.1 30.1 27 28 A T S S+ 0 0 79 76,-2.2 2,-0.7 2,-0.1 -1,-0.1 0.751 101.8 64.7 -67.0 -24.9 -8.7 21.7 30.9 28 29 A F + 0 0 40 75,-0.3 78,-0.1 1,-0.1 -2,-0.1 -0.924 69.4 175.1 -92.7 109.7 -7.7 24.6 33.3 29 30 A S + 0 0 71 -2,-0.7 2,-2.1 1,-0.1 -1,-0.1 0.528 42.7 102.9-101.1 -2.1 -6.2 26.9 30.8 30 31 A D + 0 0 86 -29,-0.0 -27,-1.7 2,-0.0 -28,-0.8 -0.458 60.8 104.6 -84.3 73.1 -5.4 30.0 32.9 31 32 A F E -a 3 0A 7 -2,-2.1 2,-0.4 -29,-0.2 -27,-0.2 -0.926 62.8-133.0-140.3 165.3 -1.6 29.5 33.2 32 33 A E E -a 4 0A 12 -29,-2.1 -27,-2.5 -2,-0.3 2,-0.6 -0.970 23.7-148.6-114.2 137.2 1.7 30.7 32.0 33 34 A L E -ac 5 57A 0 23,-2.6 25,-3.5 -2,-0.4 2,-0.5 -0.916 5.2-159.4-110.0 109.5 4.2 28.0 30.9 34 35 A F E -ac 6 58A 0 -29,-3.0 -27,-3.0 -2,-0.6 2,-0.7 -0.765 1.8-164.5 -80.9 129.3 7.9 28.7 31.4 35 36 A I E -ac 7 59A 0 23,-2.0 25,-2.4 -2,-0.5 2,-1.0 -0.915 6.3-169.7-110.3 102.7 10.1 26.5 29.2 36 37 A M E -ac 8 60A 2 -29,-3.1 -27,-2.8 -2,-0.7 2,-0.4 -0.816 6.3-170.0 -99.6 95.2 13.6 26.9 30.8 37 38 A D E -ac 9 61A 0 23,-3.0 25,-2.1 -2,-1.0 2,-0.4 -0.815 18.7-143.6 -88.2 134.7 15.8 25.2 28.3 38 39 A D - 0 0 5 -29,-2.7 23,-0.1 -2,-0.4 -1,-0.1 -0.250 62.9 -72.9 -96.5 47.7 19.3 24.7 29.4 39 40 A N S S- 0 0 46 -2,-0.4 -1,-0.1 1,-0.1 22,-0.1 0.960 74.4-171.9 65.0 57.0 21.0 25.3 26.1 40 41 A S - 0 0 9 1,-0.1 -1,-0.1 -31,-0.1 -3,-0.0 -0.243 25.0 -84.6 -73.4 167.6 20.0 22.0 24.4 41 42 A N >> - 0 0 71 1,-0.1 4,-2.3 4,-0.0 3,-0.7 -0.171 45.8 -97.2 -69.9 164.7 21.1 20.5 21.1 42 43 A E H 3> S+ 0 0 148 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.811 119.9 55.9 -54.2 -44.2 19.5 21.3 17.8 43 44 A E H 3> S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.912 110.3 45.6 -60.0 -40.7 17.2 18.4 17.7 44 45 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.932 113.4 49.1 -66.8 -50.1 15.6 19.3 21.1 45 46 A L H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.834 108.3 54.7 -58.6 -36.8 15.3 22.9 20.1 46 47 A N H < S+ 0 0 84 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.861 109.5 47.4 -70.9 -29.6 13.6 21.9 16.8 47 48 A V H < S+ 0 0 41 -4,-1.6 4,-0.3 1,-0.2 -2,-0.2 0.859 114.7 46.6 -72.5 -40.0 11.0 19.8 18.7 48 49 A I H >X S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.2 4,-0.6 0.873 94.3 82.0 -68.2 -40.8 10.3 22.7 21.1 49 50 A R G >< S+ 0 0 135 -4,-2.0 3,-1.3 1,-0.3 4,-0.3 0.756 84.4 51.2 -39.9 -54.5 10.1 25.4 18.4 50 51 A P G >4 S+ 0 0 77 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.829 102.9 62.8 -58.1 -34.3 6.5 25.0 17.2 51 52 A F G X4 S+ 0 0 39 -3,-1.5 3,-2.0 -4,-0.3 6,-0.2 0.736 84.9 75.4 -64.8 -21.2 5.2 25.2 20.8 52 53 A L G << S+ 0 0 60 -3,-1.3 -1,-0.2 -4,-0.6 5,-0.1 0.760 80.7 71.6 -67.1 -13.3 6.6 28.7 21.1 53 54 A N G < S+ 0 0 146 -3,-1.4 2,-0.5 -4,-0.3 -1,-0.3 0.608 73.9 97.4 -75.8 -9.6 3.6 29.9 19.0 54 55 A D S X S- 0 0 43 -3,-2.0 3,-1.8 1,-0.1 -30,-0.0 -0.757 77.6-138.9 -78.1 124.4 1.3 29.3 21.9 55 56 A N T 3 S+ 0 0 157 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.607 97.3 61.7 -65.8 -9.4 0.8 32.7 23.6 56 57 A R T 3 S+ 0 0 52 -24,-0.1 -23,-2.6 -32,-0.0 2,-0.3 0.642 82.1 100.8 -87.2 -13.8 1.0 31.2 27.1 57 58 A V E < -c 33 0A 20 -3,-1.8 2,-0.6 -6,-0.2 -23,-0.2 -0.556 51.6-167.2 -79.3 134.1 4.6 29.9 26.6 58 59 A R E -c 34 0A 63 -25,-3.5 -23,-2.0 -2,-0.3 2,-0.4 -0.889 15.2-163.9-121.4 96.0 7.5 31.8 28.1 59 60 A F E +c 35 0A 61 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.654 13.4 173.2 -90.8 126.1 10.6 30.4 26.6 60 61 A Y E -c 36 0A 86 -25,-2.4 -23,-3.0 -2,-0.4 2,-0.4 -1.000 10.8-164.0-134.5 129.9 14.1 31.1 28.1 61 62 A Q E -c 37 0A 88 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.1 -0.981 13.0-137.0-119.5 132.7 17.3 29.5 26.9 62 63 A S - 0 0 22 -25,-2.1 -23,-0.1 -2,-0.4 -22,-0.0 -0.237 9.6-137.7 -80.4 175.5 20.5 29.4 28.9 63 64 A D + 0 0 147 -24,-0.1 -1,-0.1 -25,-0.0 -25,-0.1 0.106 54.7 143.5-112.5 13.8 24.0 30.1 27.5 64 65 A I + 0 0 28 5,-0.1 2,-0.3 6,-0.0 -2,-0.1 -0.267 19.6 164.4 -61.3 138.4 25.5 27.2 29.5 65 66 A S + 0 0 83 1,-0.1 4,-0.4 -2,-0.0 3,-0.1 -0.940 31.7 18.8-162.0 132.4 28.2 25.1 28.0 66 67 A G S > S- 0 0 38 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 0.029 84.2 -74.5 93.2 159.2 30.9 22.6 29.0 67 68 A V H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.841 124.2 54.9 -63.8 -33.9 31.5 20.4 32.0 68 69 A K H >> S+ 0 0 158 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.974 114.1 41.3 -61.9 -51.2 32.6 23.2 34.4 69 70 A E H >> S+ 0 0 84 -4,-0.4 3,-0.7 1,-0.2 4,-0.5 0.910 113.4 53.1 -64.1 -39.1 29.4 25.2 33.8 70 71 A R H 3< S+ 0 0 23 -4,-2.5 5,-0.4 1,-0.2 -1,-0.2 0.701 117.4 38.1 -68.4 -25.4 27.2 22.1 33.9 71 72 A T H << S+ 0 0 16 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.390 91.0 86.5-106.4 -0.5 28.5 21.0 37.2 72 73 A E H << S+ 0 0 128 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.1 0.797 105.6 5.7 -68.8 -32.4 29.0 24.4 39.0 73 74 A K S < S- 0 0 88 -4,-0.5 2,-0.9 107,-0.2 107,-0.2 -0.968 90.6 -87.7-140.0 168.2 25.3 24.3 40.2 74 75 A T > - 0 0 0 105,-2.9 4,-2.1 -2,-0.3 3,-0.2 -0.675 51.4-153.1 -77.9 101.4 22.3 21.9 40.2 75 76 A R H > S+ 0 0 23 -2,-0.9 4,-2.3 -5,-0.4 -1,-0.2 0.889 85.0 48.3 -53.6 -47.8 21.3 23.3 36.8 76 77 A Y H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.859 110.8 53.5 -64.8 -30.0 17.5 22.7 37.0 77 78 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 100,-0.3 0.929 108.7 49.6 -68.8 -42.5 17.4 24.2 40.4 78 79 A A H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.912 113.0 46.2 -58.6 -43.6 19.1 27.3 39.0 79 80 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.895 110.7 52.7 -69.0 -37.6 16.6 27.6 36.1 80 81 A I H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.944 108.3 50.6 -62.4 -44.9 13.6 27.0 38.4 81 82 A N H X S+ 0 0 15 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.866 108.8 52.3 -57.5 -42.1 14.8 29.9 40.7 82 83 A Q H X S+ 0 0 93 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.912 112.2 45.3 -61.4 -40.0 15.1 32.1 37.6 83 84 A A H >X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 3,-0.8 0.901 107.7 57.7 -71.9 -35.2 11.6 31.3 36.6 84 85 A I H >< S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.3 -2,-0.2 0.935 102.6 54.6 -61.0 -41.9 10.3 31.8 40.1 85 86 A E H 3< S+ 0 0 154 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.780 114.4 41.2 -61.7 -23.3 11.6 35.3 40.1 86 87 A M H << S+ 0 0 54 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.463 90.2 119.2 -96.8 -10.6 9.6 36.0 36.9 87 88 A A << - 0 0 14 -3,-1.5 -83,-0.1 -4,-0.9 5,-0.0 -0.438 35.8-179.5 -68.9 140.6 6.5 34.1 37.9 88 89 A E + 0 0 135 -2,-0.2 -1,-0.1 -85,-0.1 2,-0.1 0.420 46.5 109.8-109.4 -4.6 3.1 36.0 38.1 89 90 A G - 0 0 4 1,-0.1 -87,-0.2 2,-0.1 -86,-0.2 -0.412 63.7-141.2 -76.3 154.0 0.8 33.1 39.2 90 91 A E S S+ 0 0 91 -88,-1.0 73,-2.8 -89,-0.4 2,-0.4 0.779 95.1 47.0 -74.9 -36.7 -0.7 32.8 42.6 91 92 A Y E S-bD 3 162A 2 -89,-2.6 -87,-2.5 71,-0.2 2,-0.4 -0.905 76.2-155.5-110.1 141.1 -0.1 29.0 42.5 92 93 A I E +bD 4 161A 0 69,-3.0 69,-2.5 -2,-0.4 2,-0.3 -0.933 16.2 169.7-117.1 136.9 3.3 27.5 41.4 93 94 A T E -bD 5 160A 0 -89,-2.2 -87,-2.2 -2,-0.4 2,-0.3 -0.950 21.6-131.7-147.2 153.1 3.8 24.0 39.9 94 95 A Y E +b 6 0A 0 65,-0.7 2,-0.3 62,-0.3 -87,-0.2 -0.892 19.4 176.8-114.5 143.8 6.7 22.1 38.3 95 96 A A E -b 7 0A 1 -89,-2.6 -87,-1.4 -2,-0.3 2,-0.3 -0.947 11.8-151.3-136.3 161.5 7.0 20.1 35.1 96 97 A T E > -b 8 0A 20 -2,-0.3 3,-1.0 -89,-0.2 -87,-0.1 -0.841 32.3-106.4-129.5 170.1 9.9 18.3 33.3 97 98 A D T 3 S+ 0 0 4 -89,-1.0 -78,-0.4 -2,-0.3 -77,-0.1 0.499 118.5 39.1 -77.6 -2.6 10.7 17.4 29.7 98 99 A D T 3 S+ 0 0 59 -79,-0.1 114,-0.5 -80,-0.1 2,-0.4 0.094 98.3 87.4-132.2 23.8 9.9 13.7 30.2 99 100 A N E < -E 211 0A 1 -3,-1.0 2,-0.4 112,-0.1 112,-0.2 -0.962 62.5-146.3-120.4 140.1 6.9 13.8 32.6 100 101 A I E -E 210 0A 12 110,-2.7 110,-2.6 -2,-0.4 2,-0.4 -0.919 5.9-141.0-110.5 132.1 3.3 14.0 31.4 101 102 A Y E -E 209 0A 4 -2,-0.4 108,-0.3 -82,-0.4 107,-0.1 -0.712 23.7-123.2 -83.0 136.1 0.4 15.9 33.1 102 103 A M > - 0 0 70 106,-2.9 3,-1.8 -2,-0.4 4,-0.3 -0.466 36.1-101.6 -69.6 156.6 -3.0 14.1 33.1 103 104 A P T 3 S+ 0 0 69 0, 0.0 -76,-2.2 0, 0.0 -75,-0.3 0.701 117.0 38.0 -58.9 -29.9 -5.6 16.4 31.5 104 105 A D T 3> S+ 0 0 65 -78,-0.2 4,-2.6 1,-0.2 5,-0.3 0.102 83.0 111.0-105.4 13.5 -7.4 17.6 34.6 105 106 A R H <> S+ 0 0 0 -3,-1.8 4,-2.3 2,-0.2 5,-0.2 0.961 82.1 40.6 -52.1 -56.0 -4.3 18.0 36.7 106 107 A L H > S+ 0 0 0 -4,-0.3 4,-3.1 1,-0.2 5,-0.3 0.930 115.6 52.2 -64.1 -41.8 -4.3 21.8 36.9 107 108 A L H > S+ 0 0 41 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 112.8 43.9 -56.8 -53.6 -8.1 22.0 37.3 108 109 A K H X S+ 0 0 72 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.920 116.7 45.4 -63.5 -37.2 -8.1 19.5 40.3 109 110 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 5,-0.2 0.902 112.5 50.0 -75.2 -39.1 -5.1 21.1 42.0 110 111 A V H X S+ 0 0 3 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.933 111.5 50.8 -64.8 -40.4 -6.3 24.7 41.6 111 112 A R H X S+ 0 0 157 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.838 107.6 51.9 -65.1 -38.2 -9.7 23.6 43.0 112 113 A E H X S+ 0 0 40 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.944 114.3 42.2 -65.0 -45.3 -8.2 21.9 46.1 113 114 A L H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.843 113.5 53.2 -70.9 -35.1 -6.2 25.0 47.0 114 115 A D H < S+ 0 0 79 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.828 113.6 42.9 -65.6 -35.6 -9.1 27.3 46.2 115 116 A T H < S+ 0 0 96 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.696 115.9 48.3 -83.1 -25.0 -11.4 25.3 48.5 116 117 A H >< + 0 0 55 -4,-1.7 3,-2.0 -5,-0.2 -1,-0.2 -0.714 56.3 175.9-122.7 88.1 -8.9 24.9 51.4 117 118 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.737 81.1 63.7 -60.6 -23.3 -7.2 28.2 52.3 118 119 A E T 3 S+ 0 0 115 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.632 87.6 80.6 -77.3 -14.3 -5.5 26.4 55.2 119 120 A K < + 0 0 31 -3,-2.0 3,-0.1 -7,-0.2 -3,-0.1 -0.813 48.9 170.4 -93.1 128.4 -3.5 24.1 52.8 120 121 A A + 0 0 15 -2,-0.4 42,-2.4 80,-0.3 2,-0.4 0.649 68.1 35.9-108.3 -26.2 -0.4 25.8 51.3 121 122 A V E -F 161 0A 2 79,-0.4 81,-3.0 40,-0.2 2,-0.3 -0.997 67.7-178.1-128.0 128.0 1.3 22.8 49.6 122 123 A I E -Fg 160 202A 0 38,-2.8 38,-2.0 -2,-0.4 2,-0.3 -0.927 4.2-169.6-122.9 157.9 -0.6 19.9 47.9 123 124 A Y E -Fg 159 203A 13 79,-2.3 81,-2.4 -2,-0.3 36,-0.2 -0.983 5.6-155.0-144.0 144.5 0.6 16.8 46.1 124 125 A S E - g 0 204A 3 34,-2.1 81,-0.2 -2,-0.3 83,-0.2 -0.569 32.4 -88.9-106.7-176.3 -1.1 14.2 44.0 125 126 A A E - g 0 207A 2 81,-2.2 83,-1.8 79,-0.8 84,-0.6 -0.456 41.6-150.7 -84.5 163.9 -0.3 10.5 43.3 126 127 A S E -Hg 141 209A 1 15,-2.1 15,-2.5 81,-0.2 2,-0.4 -0.984 4.8-152.2-138.5 148.2 2.0 9.7 40.4 127 128 A K E -Hg 140 210A 19 82,-2.2 84,-2.5 -2,-0.3 2,-0.4 -0.928 3.4-165.6-125.8 142.8 2.3 6.7 38.0 128 129 A T E -Hg 139 211A 23 11,-2.8 11,-3.0 -2,-0.4 2,-0.5 -0.998 8.4-156.6-126.8 124.6 5.3 5.4 36.1 129 130 A Y E -Hg 138 212A 44 82,-3.3 84,-2.8 -2,-0.4 2,-0.5 -0.912 6.5-151.3-101.7 125.1 4.9 2.9 33.3 130 131 A H E -Hg 137 213A 39 7,-2.8 6,-2.9 -2,-0.5 7,-1.3 -0.833 14.7-156.2 -97.9 125.9 7.8 0.6 32.4 131 132 A L E H 135 0A 60 82,-3.0 4,-0.2 -2,-0.5 81,-0.0 -0.833 360.0 360.0-110.0 140.5 7.9 -0.4 28.8 132 133 A N 0 0 164 2,-2.4 -1,-0.0 -2,-0.4 3,-0.0 -0.529 360.0 360.0-164.9 360.0 9.6 -3.5 27.3 133 ! 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 0.0 134 137 A D 0 0 168 0, 0.0 -2,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-150.1 4.2 -3.1 26.0 135 138 A I E +H 131 0A 83 -4,-0.2 -4,-0.2 1,-0.2 3,-0.1 -0.684 360.0 172.1 -81.3 128.9 3.9 -2.4 29.8 136 139 A V E S+ 0 0 81 -6,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.591 70.8 8.0-103.0 -22.8 6.0 -4.8 31.9 137 140 A K E -H 130 0A 112 -7,-1.3 -7,-2.8 2,-0.0 2,-0.4 -0.994 56.5-155.7-158.9 149.6 5.4 -2.9 35.1 138 141 A E E -H 129 0A 113 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.961 12.9-169.4-132.9 118.4 3.4 -0.1 36.6 139 142 A T E -H 128 0A 60 -11,-3.0 -11,-2.8 -2,-0.4 2,-0.4 -0.887 0.7-167.4-109.3 143.2 4.5 1.8 39.7 140 143 A V E -H 127 0A 61 -2,-0.4 -13,-0.2 -13,-0.2 -2,-0.0 -0.979 12.9-155.0-126.2 134.6 2.3 4.3 41.7 141 144 A R E -H 126 0A 118 -15,-2.5 -15,-2.1 -2,-0.4 14,-0.1 -0.973 32.9-140.0-104.6 110.7 3.6 6.8 44.4 142 145 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.241 16.6-150.6 -74.9 166.8 0.5 7.3 46.5 143 146 A A + 0 0 1 1,-0.1 -18,-0.2 -18,-0.1 3,-0.1 -0.756 47.7 131.8-133.0 76.5 -0.9 10.5 48.0 144 147 A A + 0 0 77 -2,-0.3 2,-0.3 1,-0.2 61,-0.1 0.627 58.3 35.1-108.9 -20.9 -2.7 9.1 51.1 145 148 A Q S S- 0 0 135 -3,-0.1 2,-0.2 59,-0.1 -1,-0.2 -0.959 78.1-103.2-138.9 156.5 -1.6 11.2 54.1 146 149 A V - 0 0 67 -2,-0.3 2,-0.4 56,-0.1 56,-0.2 -0.545 49.9-162.5 -66.0 133.3 -0.6 14.7 55.1 147 150 A T B -I 201 0B 24 54,-2.3 54,-2.8 -2,-0.2 3,-0.3 -0.965 39.5-174.5-138.1 135.5 3.2 14.6 55.5 148 151 A W S S+ 0 0 75 -2,-0.4 2,-0.1 52,-0.3 91,-0.1 0.340 88.6 63.4 -93.2 7.0 5.9 16.7 57.1 149 152 A N + 0 0 18 1,-0.1 -1,-0.2 52,-0.1 44,-0.1 -0.517 54.2 148.5-137.8 73.7 8.5 14.4 55.4 150 153 A A >> + 0 0 0 -3,-0.3 3,-2.7 42,-0.2 4,-1.8 0.775 27.5 121.7 -75.4 -27.0 8.3 14.7 51.7 151 154 A P T 34 S- 0 0 0 0, 0.0 4,-0.1 0, 0.0 38,-0.1 -0.122 94.6 -9.9 -52.5 122.5 11.9 14.2 50.6 152 155 A a T 34 S+ 0 0 44 2,-0.4 3,-0.1 1,-0.1 -2,-0.1 0.384 124.9 79.8 64.5 4.2 12.2 11.2 48.3 153 156 A A T <4 S+ 0 0 45 -3,-2.7 2,-0.4 1,-0.2 -3,-0.1 0.700 94.5 43.3-100.2 -28.6 8.5 10.3 49.0 154 157 A I S < S- 0 0 11 -4,-1.8 -2,-0.4 -29,-0.0 2,-0.2 -0.971 84.3-126.5-122.9 132.9 7.0 12.9 46.6 155 158 A D > - 0 0 45 -2,-0.4 3,-2.3 1,-0.1 4,-0.1 -0.536 20.9-113.4 -82.8 155.7 8.3 13.7 43.1 156 159 A H G > S+ 0 0 14 1,-0.3 3,-0.7 -2,-0.2 -62,-0.3 0.814 115.7 49.4 -36.9 -54.1 9.2 17.0 41.6 157 160 A C G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -64,-0.1 -61,-0.1 0.407 96.4 71.2 -82.7 7.8 6.2 16.8 39.1 158 161 A S G < S+ 0 0 2 -3,-2.3 -34,-2.1 -34,-0.1 2,-0.3 0.201 82.5 80.5-108.5 17.2 3.5 16.0 41.7 159 162 A V E < - F 0 123A 1 -3,-0.7 -65,-0.7 -36,-0.2 2,-0.3 -0.852 41.8-176.5-128.1 162.4 3.0 19.3 43.6 160 163 A M E +DF 93 122A 0 -38,-2.0 -38,-2.8 -2,-0.3 2,-0.3 -0.968 18.4 177.8-142.3 141.7 1.4 22.7 43.5 161 164 A H E -DF 92 121A 2 -69,-2.5 -69,-3.0 -2,-0.3 -40,-0.2 -0.979 34.7 -94.5-145.3 161.9 1.9 25.3 46.1 162 165 A R E >> -D 91 0A 33 -42,-2.4 3,-1.1 -2,-0.3 4,-0.5 -0.262 35.1-122.4 -68.0 146.9 0.9 28.9 46.9 163 166 A Y H >> S+ 0 0 71 -73,-2.8 3,-1.6 1,-0.2 4,-0.5 0.897 109.0 69.4 -57.3 -33.7 3.4 31.5 45.9 164 167 A S H >> S+ 0 0 59 -74,-0.3 4,-1.1 1,-0.3 3,-0.7 0.777 84.4 69.8 -61.1 -24.0 3.6 32.7 49.5 165 168 A V H <> S+ 0 0 0 -3,-1.1 4,-1.6 1,-0.2 -1,-0.3 0.914 91.2 61.2 -58.0 -39.6 5.3 29.4 50.5 166 169 A L H - 0 0 40 -107,-0.2 3,-2.1 1,-0.2 -107,-0.2 -0.340 60.9-139.2 -58.6 131.9 24.3 23.4 45.5 181 184 A P G > S+ 0 0 29 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.580 96.1 77.2 -73.0 -5.1 25.7 20.6 43.2 182 185 A A G 3 S+ 0 0 14 1,-0.3 43,-2.9 2,-0.1 3,-0.2 0.667 96.4 49.6 -73.5 -15.6 25.8 18.2 46.2 183 186 A F G < S+ 0 0 0 -3,-2.1 -1,-0.3 41,-0.2 7,-0.2 -0.157 74.3 120.1-112.9 39.2 22.1 17.9 45.6 184 187 A Y S X S+ 0 0 71 -3,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.875 76.4 43.5 -66.5 -47.0 22.2 17.3 41.9 185 188 A R T 3 S+ 0 0 155 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.752 127.6 27.5 -70.4 -34.5 20.4 13.9 42.0 186 189 A I T 3> S+ 0 0 24 39,-0.2 4,-2.2 1,-0.1 -1,-0.2 -0.288 70.6 139.3-127.7 49.1 17.7 14.8 44.5 187 190 A G H <> S+ 0 0 2 -3,-0.5 4,-1.9 1,-0.2 -9,-0.3 0.853 74.9 55.1 -62.9 -35.0 17.2 18.5 44.0 188 191 A D H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 107.7 50.8 -64.8 -40.0 13.4 18.2 44.3 189 192 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.901 109.2 50.7 -63.7 -38.4 13.9 16.4 47.7 190 193 A R H X S+ 0 0 30 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 111.5 46.3 -69.3 -39.7 16.1 19.2 48.9 191 194 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 113.9 49.0 -67.3 -43.2 13.6 21.9 48.0 192 195 A F H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.918 108.0 56.4 -62.7 -36.6 10.8 19.9 49.6 193 196 A W H < S+ 0 0 27 -4,-3.1 4,-0.4 2,-0.2 -2,-0.2 0.930 107.9 46.6 -57.3 -47.0 13.1 19.5 52.6 194 197 A R H >< S+ 0 0 16 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 0.952 112.4 50.1 -62.6 -46.9 13.4 23.3 52.9 195 198 A V H >X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.3 3,-1.9 0.845 102.1 62.6 -57.7 -40.4 9.5 23.6 52.5 196 199 A N T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.582 84.5 75.6 -66.7 -5.8 9.0 21.0 55.2 197 200 A H T <4 S+ 0 0 26 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.754 119.1 12.2 -69.0 -29.1 10.7 23.4 57.7 198 201 A F T <4 S+ 0 0 63 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.578 126.2 37.3-122.2 -23.9 7.4 25.3 57.6 199 202 A Y < - 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g 0 129A 86 -114,-0.5 2,-0.5 -2,-0.4 -82,-0.2 -0.976 9.7-170.4-114.2 123.4 7.2 6.3 30.9 213 216 A I E g 0 130A 82 -84,-2.8 -82,-3.0 -2,-0.5 -2,-0.0 -0.989 360.0 360.0-121.6 127.2 10.6 4.5 31.3 214 217 A T 0 0 130 -2,-0.5 -1,-0.1 -84,-0.2 -84,-0.0 0.319 360.0 360.0-133.3 360.0 11.9 2.4 28.4 215 ! 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 0.0 216 232 A E > 0 0 137 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.3 32.7 13.7 32.0 217 233 A F T >4 + 0 0 57 1,-0.2 3,-1.5 2,-0.2 4,-0.5 0.979 360.0 44.4 -61.8 -57.5 29.6 15.2 33.6 218 234 A V G >4 S+ 0 0 106 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.875 108.7 58.0 -58.3 -40.3 29.1 12.7 36.4 219 235 A R G 34 S+ 0 0 195 1,-0.2 -1,-0.3 0, 0.0 -2,-0.2 0.676 104.0 53.0 -68.4 -14.1 32.8 12.7 37.2 220 236 A N G << S+ 0 0 80 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.404 86.3 94.1-100.8 -1.0 32.9 16.5 37.9 221 237 A L S < S- 0 0 24 -3,-1.1 3,-0.1 -4,-0.5 -39,-0.1 -0.682 78.6-115.6 -82.7 154.3 30.0 16.7 40.4 222 238 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.051 54.9 -59.2 -74.7 175.8 30.9 16.5 44.1 223 239 A P - 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