==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-SEP-06 2ICX . COMPND 2 MOLECULE: PROBABLE UTP-GLUCOSE-1-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.G.MCCOY,G.E.WESENBERG,G.N.PHILLIPS JR.,E.BITTO, . 914 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 83 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 0 1 5 8 2 2 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 7 3 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 PARALLEL BRIDGES PER LADDER . 6 8 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 4 2 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 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 L > 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.0 -27.6 -19.2 -49.2 2 9 A P H > + 0 0 104 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.842 360.0 48.1 -58.7 -31.2 -26.9 -22.8 -50.4 3 10 A Q H > S+ 0 0 172 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.841 109.9 51.4 -75.6 -37.0 -24.6 -21.4 -53.1 4 11 A L H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 109.9 50.2 -66.6 -40.7 -22.9 -19.1 -50.6 5 12 A K H X S+ 0 0 103 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.920 110.6 48.8 -64.0 -43.0 -22.3 -22.0 -48.3 6 13 A S H X S+ 0 0 84 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.919 110.9 50.8 -61.8 -45.5 -20.8 -24.1 -51.1 7 14 A A H < S+ 0 0 31 -4,-2.2 3,-0.4 2,-0.2 4,-0.2 0.925 112.7 45.9 -54.6 -49.5 -18.5 -21.2 -52.1 8 15 A V H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 6,-0.2 0.904 109.0 54.3 -62.7 -43.8 -17.4 -20.9 -48.4 9 16 A D H 3< S+ 0 0 59 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.741 100.6 62.7 -63.3 -20.4 -16.8 -24.6 -48.1 10 17 A G T 3< S+ 0 0 53 -4,-1.1 2,-1.2 -3,-0.4 -1,-0.3 0.605 82.7 87.4 -76.2 -12.2 -14.6 -24.2 -51.2 11 18 A L X - 0 0 10 -3,-2.1 3,-2.0 -4,-0.2 -1,-0.1 -0.720 58.5-178.3 -93.3 88.3 -12.3 -22.0 -49.1 12 19 A T T 3 S+ 0 0 127 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.0 0.668 73.9 69.4 -70.9 -18.0 -10.1 -24.6 -47.7 13 20 A E T 3 S+ 0 0 98 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.767 84.3 90.7 -67.1 -27.3 -8.1 -22.0 -45.7 14 21 A M S < S- 0 0 8 -3,-2.0 2,-0.1 -6,-0.2 140,-0.1 -0.502 78.2-126.1 -73.9 138.3 -11.2 -21.5 -43.5 15 22 A S > - 0 0 47 -2,-0.2 4,-2.6 138,-0.2 5,-0.2 -0.372 26.7-110.8 -73.7 157.2 -11.8 -23.5 -40.3 16 23 A E H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 119.8 47.7 -58.6 -42.7 -15.0 -25.4 -39.9 17 24 A S H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 109.8 53.1 -71.4 -31.4 -16.2 -23.0 -37.1 18 25 A E H > S+ 0 0 35 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.946 109.1 50.0 -63.1 -48.8 -15.2 -19.9 -39.1 19 26 A K H X S+ 0 0 15 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.908 114.1 43.4 -53.9 -45.3 -17.3 -21.2 -42.0 20 27 A S H X S+ 0 0 78 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.912 114.1 51.2 -70.7 -37.0 -20.4 -21.8 -39.8 21 28 A G H X S+ 0 0 21 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.892 112.5 46.2 -64.9 -41.9 -19.9 -18.5 -38.0 22 29 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.914 111.4 49.7 -67.7 -46.8 -19.6 -16.5 -41.2 23 30 A I H X S+ 0 0 20 -4,-2.2 4,-3.5 1,-0.2 -1,-0.2 0.858 107.6 57.3 -60.6 -33.1 -22.7 -18.2 -42.9 24 31 A S H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.928 109.0 43.8 -66.9 -41.3 -24.6 -17.5 -39.7 25 32 A L H X S+ 0 0 16 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.921 115.6 48.8 -67.3 -44.3 -23.9 -13.7 -40.0 26 33 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.958 110.8 50.1 -58.8 -52.8 -24.7 -13.8 -43.7 27 34 A S H X S+ 0 0 32 -4,-3.5 4,-0.8 1,-0.2 -2,-0.2 0.920 113.4 45.6 -50.1 -51.7 -27.9 -15.7 -43.1 28 35 A R H X S+ 0 0 47 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.860 113.0 51.4 -60.1 -41.6 -29.0 -13.1 -40.5 29 36 A Y H < S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 109.4 48.5 -60.4 -46.5 -28.0 -10.3 -42.7 30 37 A L H < S+ 0 0 86 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.598 125.2 30.3 -76.4 -11.5 -30.0 -11.5 -45.7 31 38 A S H < 0 0 110 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.2 0.791 360.0 360.0-105.6 -73.9 -33.1 -12.1 -43.5 32 39 A G < 0 0 101 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.135 360.0 360.0 159.5 360.0 -33.2 -9.5 -40.7 33 ! 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 34 45 A E > 0 0 141 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 99.3 -39.7 0.7 -32.4 35 46 A W G > + 0 0 33 1,-0.3 3,-1.6 2,-0.2 228,-0.0 0.861 360.0 58.0 -56.6 -41.0 -38.8 4.2 -31.3 36 47 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.687 100.7 59.0 -65.1 -20.1 -41.9 4.6 -29.0 37 48 A K G < S+ 0 0 84 -3,-1.5 215,-0.3 2,-0.1 -1,-0.3 0.514 77.7 113.3 -87.0 -7.8 -40.8 1.5 -27.0 38 49 A I < - 0 0 22 -3,-1.6 2,-0.3 -4,-0.4 213,-0.2 -0.478 44.5-177.7 -71.5 130.3 -37.4 2.9 -26.0 39 50 A Q B -A 250 0A 125 211,-2.3 211,-2.8 -2,-0.2 -2,-0.1 -0.929 31.6-110.6-124.9 155.4 -37.0 3.6 -22.2 40 51 A T - 0 0 100 -2,-0.3 209,-0.1 209,-0.2 237,-0.0 -0.690 44.4-111.6 -78.8 128.6 -34.3 5.1 -20.0 41 52 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 207,-0.0 -0.310 30.5-116.3 -60.3 146.2 -32.8 2.3 -17.8 42 53 A T >> - 0 0 74 1,-0.1 4,-2.6 -3,-0.0 3,-0.9 -0.260 30.8-102.0 -68.5 169.1 -33.5 2.6 -14.1 43 54 A D T 34 S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.604 122.8 60.5 -67.4 -11.7 -30.6 3.1 -11.6 44 55 A E T 34 S+ 0 0 141 3,-0.1 3,-0.2 1,-0.1 -1,-0.2 0.678 111.8 36.7 -88.1 -17.6 -30.8 -0.6 -10.8 45 56 A I T <4 S+ 0 0 61 -3,-0.9 291,-2.6 1,-0.3 2,-0.6 0.776 128.7 34.9 -97.6 -42.7 -30.1 -1.6 -14.4 46 57 A V E < S-c 336 0B 9 -4,-2.6 -1,-0.3 289,-0.2 291,-0.2 -0.882 91.6-158.0-110.6 94.8 -27.6 1.2 -15.1 47 58 A V E -c 337 0B 16 289,-2.5 291,-2.4 -2,-0.6 2,-0.3 -0.580 16.5-122.5 -80.5 123.2 -26.0 1.4 -11.7 48 59 A P E >> -c 338 0B 28 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.514 20.3-131.5 -61.9 128.1 -24.2 4.7 -10.8 49 60 A Y G >4 S+ 0 0 51 289,-2.4 3,-1.5 -2,-0.3 290,-0.1 0.833 103.8 63.0 -47.7 -40.8 -20.6 3.7 -10.0 50 61 A E G 34 S+ 0 0 135 288,-0.3 -1,-0.3 1,-0.3 289,-0.1 0.639 96.5 57.7 -64.9 -14.3 -20.7 5.8 -6.7 51 62 A K G <4 S+ 0 0 156 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.612 84.7 103.9 -89.5 -13.5 -23.5 3.6 -5.3 52 63 A M S << S- 0 0 13 -3,-1.5 169,-0.1 -4,-0.5 168,-0.1 -0.497 77.0-119.7 -74.9 137.4 -21.3 0.5 -5.6 53 64 A T - 0 0 87 -2,-0.2 171,-0.1 167,-0.1 3,-0.1 -0.661 26.8-134.9 -75.0 124.0 -19.7 -0.9 -2.4 54 65 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 166,-0.1 -0.287 33.5 -84.4 -72.4 164.2 -15.8 -0.9 -2.5 55 66 A V - 0 0 29 1,-0.1 165,-0.1 2,-0.1 2,-0.0 -0.239 48.0-109.1 -61.2 157.2 -13.8 -3.9 -1.2 56 67 A S - 0 0 57 2,-0.2 6,-0.1 -3,-0.1 -1,-0.1 -0.221 32.3-100.6 -76.6 177.4 -13.0 -4.2 2.5 57 68 A Q S S+ 0 0 184 4,-0.1 2,-0.7 5,-0.0 -1,-0.1 0.589 89.9 112.6 -77.7 -9.9 -9.5 -3.6 3.9 58 69 A D >> - 0 0 95 1,-0.2 4,-1.2 2,-0.1 3,-0.9 -0.522 57.1-158.4 -68.1 107.1 -9.1 -7.4 4.1 59 70 A V H 3> S+ 0 0 85 -2,-0.7 4,-2.6 1,-0.3 3,-0.2 0.868 90.9 63.8 -58.3 -36.0 -6.4 -8.1 1.5 60 71 A A H 3> S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.897 98.5 54.3 -55.3 -40.6 -7.6 -11.7 1.5 61 72 A E H <> S+ 0 0 47 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.889 110.3 46.6 -61.6 -40.7 -11.0 -10.5 0.1 62 73 A T H X S+ 0 0 5 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.915 109.9 51.9 -67.2 -44.5 -9.2 -8.7 -2.7 63 74 A K H X S+ 0 0 72 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.896 108.5 52.7 -58.9 -40.7 -6.9 -11.7 -3.6 64 75 A N H < S+ 0 0 85 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.815 110.8 46.0 -67.6 -34.9 -10.0 -13.9 -3.8 65 76 A L H >< S+ 0 0 13 -4,-1.4 3,-1.8 -5,-0.2 -2,-0.2 0.940 113.8 49.6 -67.1 -49.0 -11.8 -11.6 -6.3 66 77 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.830 99.3 64.9 -61.3 -36.9 -8.6 -11.2 -8.3 67 78 A D T 3< S+ 0 0 42 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.584 100.9 54.0 -58.0 -14.5 -8.0 -15.0 -8.5 68 79 A K T < S+ 0 0 51 -3,-1.8 135,-2.9 134,-0.2 136,-2.4 0.408 94.3 98.4 -99.3 -2.6 -11.3 -15.1 -10.5 69 80 A L E < -d 204 0B 0 -3,-1.9 2,-0.4 133,-0.2 136,-0.2 -0.722 44.2-174.6-102.6 141.4 -10.2 -12.5 -13.2 70 81 A V E -d 205 0B 1 134,-2.1 136,-2.6 -2,-0.3 2,-0.6 -0.994 19.5-146.8-118.3 133.0 -8.8 -12.6 -16.7 71 82 A V E -de 206 120B 4 48,-2.5 50,-2.4 -2,-0.4 2,-0.4 -0.896 19.7-172.5-100.1 124.2 -7.8 -9.2 -18.3 72 83 A L E -de 207 121B 0 134,-3.0 136,-1.4 -2,-0.6 2,-0.4 -0.969 9.2-162.5-118.5 138.5 -8.3 -9.2 -22.1 73 84 A K E -de 208 122B 6 48,-2.3 50,-2.7 -2,-0.4 2,-0.6 -0.922 23.1-126.7-118.8 131.9 -7.3 -6.5 -24.5 74 85 A L E +de 209 123B 16 134,-2.5 136,-1.5 -2,-0.4 137,-0.2 -0.745 39.2 163.3 -74.9 118.8 -8.8 -6.1 -28.0 75 86 A N E + e 0 124B 3 48,-2.6 50,-0.5 -2,-0.6 -1,-0.1 -0.081 33.4 113.2-133.8 25.8 -5.7 -6.1 -30.2 76 87 A G + 0 0 19 48,-0.3 51,-0.2 11,-0.1 2,-0.2 0.513 61.4 89.9 -81.7 -2.4 -7.0 -6.8 -33.7 77 88 A G - 0 0 42 -3,-0.1 11,-1.8 51,-0.1 12,-0.4 -0.639 65.6-130.0-108.6 156.0 -6.1 -3.3 -35.1 78 89 A L B > -J 87 0C 65 9,-0.3 3,-0.5 -2,-0.2 4,-0.2 -0.564 23.4-118.7-101.4 158.3 -3.2 -1.6 -36.8 79 90 A G T 3 >S+ 0 0 1 7,-3.4 5,-2.8 1,-0.2 3,-0.3 0.147 80.6 114.5 -76.1 21.4 -1.2 1.6 -36.1 80 91 A T T > 5 + 0 0 90 3,-0.2 3,-2.1 1,-0.2 -1,-0.2 0.895 65.1 55.5 -66.5 -46.2 -2.3 2.9 -39.6 81 92 A T T < 5S+ 0 0 82 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.870 115.1 44.6 -49.5 -36.5 -4.6 5.9 -38.5 82 93 A M T 3 5S- 0 0 0 -3,-0.3 309,-2.6 -4,-0.2 -1,-0.3 -0.003 122.6-104.3-105.1 26.2 -1.5 7.1 -36.7 83 94 A G T < 5S+ 0 0 28 -3,-2.1 2,-0.4 307,-0.3 309,-0.3 0.791 80.1 122.2 57.9 36.0 1.1 6.5 -39.4 84 95 A C < - 0 0 33 -5,-2.8 -1,-0.2 2,-0.1 2,-0.2 -0.969 55.5-134.3-127.5 141.1 2.6 3.4 -37.8 85 96 A T S S+ 0 0 140 -2,-0.4 -3,-0.0 -7,-0.1 0, 0.0 -0.497 72.1 30.3 -84.6 163.6 3.1 -0.2 -39.0 86 97 A G S S- 0 0 12 -2,-0.2 -7,-3.4 41,-0.1 -6,-0.2 -0.225 107.8 -23.0 78.9-177.3 2.2 -3.1 -36.7 87 98 A P B > -J 78 0C 1 0, 0.0 3,-1.5 0, 0.0 -9,-0.3 -0.321 54.2-125.4 -64.8 143.0 -0.5 -3.2 -33.9 88 99 A K G > S+ 0 0 26 -11,-1.8 3,-1.8 1,-0.3 11,-0.3 0.842 105.5 69.1 -58.0 -34.3 -1.7 0.0 -32.3 89 100 A S G 3 S+ 0 0 3 -12,-0.4 11,-1.9 1,-0.3 10,-0.6 0.657 91.8 58.9 -63.2 -16.4 -0.8 -1.4 -28.9 90 101 A V G < S+ 0 0 38 -3,-1.5 2,-0.3 8,-0.2 -1,-0.3 0.301 76.2 112.6-101.8 9.5 2.9 -1.2 -29.6 91 102 A I S < S- 0 0 9 -3,-1.8 8,-1.2 -4,-0.1 2,-0.4 -0.635 79.6-111.6 -69.5 138.4 2.9 2.5 -30.2 92 103 A E E +K 98 0D 117 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.615 42.5 172.8 -74.1 125.6 4.8 4.3 -27.4 93 104 A V E + 0 0 0 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.826 57.6 7.6-106.6 -40.5 2.3 6.2 -25.4 94 105 A R E > S-K 97 0D 30 3,-1.7 3,-2.4 1,-0.1 -1,-0.3 -0.988 123.7 -9.7-150.5 131.8 4.0 7.7 -22.4 95 106 A D T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.831 124.5 -57.0 55.2 34.6 7.7 7.9 -21.1 96 107 A G T 3 S+ 0 0 44 1,-0.2 2,-0.4 -4,-0.0 -1,-0.3 0.571 110.5 124.0 74.7 9.8 8.9 5.5 -23.9 97 108 A L E < -K 94 0D 49 -3,-2.4 -4,-2.6 1,-0.0 -3,-1.7 -0.864 54.7-134.5-105.2 138.1 6.4 2.8 -22.8 98 109 A T E > -K 92 0D 13 -2,-0.4 4,-2.2 -6,-0.3 -6,-0.2 -0.248 29.0-103.8 -81.0 171.5 3.9 1.2 -25.1 99 110 A F H > S+ 0 0 3 -8,-1.2 4,-2.0 -10,-0.6 -9,-0.2 0.935 127.3 48.6 -57.6 -42.7 0.2 0.6 -24.3 100 111 A L H > S+ 0 0 1 -11,-1.9 4,-2.4 1,-0.2 5,-0.2 0.911 107.0 55.3 -66.7 -39.4 1.2 -3.1 -23.9 101 112 A D H > S+ 0 0 12 -12,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.920 111.0 45.1 -56.7 -45.9 4.1 -2.2 -21.6 102 113 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.874 110.3 52.8 -68.8 -38.9 1.8 -0.3 -19.2 103 114 A I H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.931 111.4 48.1 -61.7 -43.0 -0.9 -3.0 -19.2 104 115 A V H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.934 110.5 50.5 -64.4 -48.0 1.8 -5.5 -18.2 105 116 A I H X S+ 0 0 44 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.7 50.9 -55.0 -47.6 3.2 -3.2 -15.5 106 117 A Q H X S+ 0 0 37 -4,-2.5 4,-1.8 260,-0.3 -1,-0.2 0.921 113.1 45.1 -55.7 -45.7 -0.3 -2.7 -14.0 107 118 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 11,-0.2 0.925 110.7 53.5 -72.0 -40.2 -1.0 -6.5 -13.9 108 119 A E H X S+ 0 0 47 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.916 108.8 50.7 -52.3 -46.5 2.5 -7.2 -12.5 109 120 A N H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.874 109.7 50.1 -65.1 -35.2 1.8 -4.7 -9.7 110 121 A L H X S+ 0 0 34 -4,-1.8 4,-1.9 2,-0.2 6,-0.4 0.923 113.0 45.6 -63.3 -48.6 -1.5 -6.4 -8.9 111 122 A N H X S+ 0 0 10 -4,-2.6 4,-2.0 32,-0.2 5,-0.3 0.905 115.9 46.3 -65.2 -42.0 0.1 -9.8 -8.8 112 123 A N H < S+ 0 0 124 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.925 114.7 46.8 -61.4 -48.8 3.0 -8.6 -6.6 113 124 A K H < S+ 0 0 142 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.836 127.5 23.2 -65.3 -36.6 0.7 -6.6 -4.2 114 125 A Y H < S- 0 0 39 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.531 96.4-117.2-116.6 -8.7 -1.9 -9.4 -3.7 115 126 A G S < S+ 0 0 51 -4,-2.0 -4,-0.1 1,-0.3 -3,-0.1 0.628 70.3 131.5 78.3 11.7 -0.3 -12.8 -4.4 116 127 A C - 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