==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAY-07 2Q4J . COMPND 2 MOLECULE: PROBABLE UTP-GLUCOSE-1-PHOSPHATE URIDYLYLTRANSFER . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 915 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 10.8 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 . 85 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 3 0 2 6 6 2 2 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 6 6 2 4 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 . 7 9 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 7 5 3 1 0 0 1 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 6 A E 0 0 226 0, 0.0 31,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.7 34.5 -4.4 51.1 2 7 A N - 0 0 136 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.120 360.0-145.0 63.0-165.2 33.2 -7.9 50.7 3 8 A L S > S+ 0 0 134 3,-0.0 4,-1.1 0, 0.0 3,-0.1 0.436 71.2 82.7-167.0 -32.1 29.9 -8.5 48.8 4 9 A P H > S+ 0 0 70 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.717 81.3 76.1 -62.7 -20.4 27.6 -11.3 49.9 5 10 A Q H > S+ 0 0 170 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.983 102.5 33.3 -53.2 -74.0 26.1 -9.2 52.7 6 11 A L H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.816 117.1 64.1 -53.4 -27.5 23.8 -7.0 50.5 7 12 A K H X S+ 0 0 83 -4,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.956 105.3 38.1 -63.4 -54.7 23.5 -10.1 48.4 8 13 A S H X S+ 0 0 84 -4,-3.2 4,-1.0 -3,-0.4 -1,-0.2 0.838 111.7 61.8 -65.5 -31.3 21.8 -12.3 51.0 9 14 A A H < S+ 0 0 33 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.904 112.5 36.5 -62.0 -38.4 19.8 -9.2 52.1 10 15 A V H >< S+ 0 0 0 -4,-1.9 3,-4.7 -5,-0.2 -2,-0.2 0.963 107.2 62.1 -78.2 -53.8 18.3 -9.0 48.6 11 16 A D H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.696 98.4 63.3 -47.2 -17.3 17.9 -12.7 47.8 12 17 A G T 3< S+ 0 0 54 -4,-1.0 2,-1.1 -5,-0.2 -1,-0.3 0.475 75.8 102.0 -85.7 -3.9 15.6 -12.7 50.8 13 18 A L < - 0 0 14 -3,-4.7 8,-0.1 1,-0.2 -1,-0.0 -0.721 57.2-166.1 -85.0 100.7 13.2 -10.3 49.0 14 19 A T S S+ 0 0 134 -2,-1.1 -1,-0.2 1,-0.2 -3,-0.0 0.795 78.2 63.0 -57.5 -31.4 10.4 -12.7 47.9 15 20 A E S S+ 0 0 118 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.989 82.8 80.2 -59.2 -70.4 9.0 -10.1 45.5 16 21 A M S S- 0 0 3 -6,-0.1 2,-0.1 4,-0.1 141,-0.1 0.031 79.2-127.2 -38.7 142.7 11.8 -9.6 43.0 17 22 A S > - 0 0 48 139,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.304 28.0-100.4 -84.8 178.5 12.1 -12.3 40.3 18 23 A E H > S+ 0 0 155 1,-0.2 4,-1.2 2,-0.2 5,-0.3 0.825 125.1 53.3 -71.4 -31.3 15.4 -14.1 39.6 19 24 A S H 4 S+ 0 0 56 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.773 114.5 42.9 -75.9 -21.6 16.0 -11.8 36.6 20 25 A E H > S+ 0 0 21 3,-0.1 4,-2.3 2,-0.1 -2,-0.2 0.879 108.8 55.1 -89.9 -40.0 15.6 -8.8 38.9 21 26 A K H < S+ 0 0 22 -4,-2.7 4,-0.3 1,-0.2 -2,-0.1 0.939 112.6 39.0 -60.7 -52.3 17.5 -9.9 42.0 22 27 A S T >X S+ 0 0 75 -4,-1.2 3,-1.3 1,-0.2 4,-0.8 0.874 112.9 60.0 -66.8 -35.5 20.9 -10.7 40.4 23 28 A G H >> S+ 0 0 22 -4,-0.5 3,-1.3 -5,-0.3 4,-1.1 0.960 94.4 59.3 -56.1 -54.5 20.5 -7.7 38.1 24 29 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.3 -1,-0.3 0.696 98.7 68.4 -49.0 -14.7 20.3 -5.2 41.0 25 30 A I H <> S+ 0 0 32 -3,-1.3 4,-5.6 -4,-0.3 5,-0.3 0.945 90.3 54.1 -71.3 -50.7 23.7 -6.7 41.7 26 31 A S H X S+ 0 0 107 -4,-3.7 4,-2.7 -5,-0.3 3,-2.6 0.979 113.6 56.2 -64.4 -59.9 29.7 -1.5 40.1 31 36 A Y H 3< S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 113.6 44.6 -42.3 -36.3 28.4 1.5 42.1 32 37 A L H 3< S+ 0 0 109 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.684 119.6 42.8 -83.5 -17.3 30.4 0.0 44.9 33 38 A S H << 0 0 95 -3,-2.6 -2,-0.2 -4,-0.8 -3,-0.2 0.911 360.0 360.0 -88.7 -57.4 33.4 -0.6 42.6 34 39 A G < 0 0 85 -4,-2.7 -1,-0.1 -5,-0.1 -2,-0.1 -0.535 360.0 360.0 120.9 360.0 33.5 2.6 40.5 35 ! 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 36 44 A I 0 0 57 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 99.6 34.8 9.4 32.1 37 45 A E > - 0 0 130 1,-0.1 3,-1.1 230,-0.1 4,-0.2 -0.479 360.0-132.7 -74.3 139.3 37.9 11.6 32.8 38 46 A W G > S+ 0 0 54 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.921 97.9 63.3 -60.8 -49.1 37.8 15.2 31.6 39 47 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.288 103.1 52.9 -64.5 16.2 41.2 15.4 29.9 40 48 A K G < S+ 0 0 95 -3,-1.1 216,-0.5 -2,-0.1 -1,-0.3 0.365 75.7 122.7-130.4 2.9 40.1 12.8 27.3 41 49 A I E < -A 255 0A 26 -3,-1.8 2,-0.3 -4,-0.2 214,-0.1 -0.383 35.8-175.2 -71.1 146.0 36.8 14.1 25.9 42 50 A Q E -A 254 0A 127 212,-0.7 212,-2.0 -2,-0.1 -2,-0.0 -0.988 27.8-116.1-142.9 150.4 36.3 14.6 22.1 43 51 A T - 0 0 96 -2,-0.3 210,-0.2 210,-0.2 238,-0.0 -0.744 37.2-125.9 -87.2 123.3 33.7 16.0 19.8 44 52 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.072 23.5-120.7 -62.2 169.0 32.3 13.4 17.4 45 53 A T >> - 0 0 83 1,-0.1 4,-2.5 208,-0.0 3,-0.8 -0.386 27.5 -99.8-102.8-177.9 32.4 14.0 13.6 46 54 A D T 34 S+ 0 0 129 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.777 121.4 69.9 -72.3 -24.8 29.6 14.1 11.0 47 55 A E T 34 S+ 0 0 173 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.780 109.7 34.6 -61.3 -25.4 30.7 10.5 10.2 48 56 A I T <4 S+ 0 0 32 -3,-0.8 292,-1.4 1,-0.3 2,-0.8 0.862 119.6 48.3 -94.0 -50.4 29.2 9.7 13.6 49 57 A V E < S-c 340 0B 20 -4,-2.5 -1,-0.3 290,-0.2 292,-0.3 -0.848 85.4-148.6 -95.6 110.2 26.3 12.1 13.8 50 58 A V E -c 341 0B 20 290,-3.3 292,-1.4 -2,-0.8 -3,-0.1 -0.677 16.1-117.9 -86.7 123.0 24.5 11.7 10.4 51 59 A P E > -c 342 0B 56 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.341 18.6-146.3 -56.4 121.7 22.7 14.7 9.0 52 60 A Y G > S+ 0 0 57 290,-2.5 3,-2.7 1,-0.3 291,-0.1 0.983 96.7 55.5 -51.5 -61.5 19.0 13.8 8.8 53 61 A E G 3 S+ 0 0 138 289,-0.3 -1,-0.3 1,-0.3 290,-0.1 0.444 101.7 59.9 -53.4 -2.9 18.5 15.8 5.6 54 62 A K G < S+ 0 0 167 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.550 82.7 103.1-104.8 -8.1 21.3 13.9 3.9 55 63 A M S < S- 0 0 18 -3,-2.7 169,-0.1 -4,-0.5 168,-0.1 -0.403 79.9-105.4 -77.1 150.9 19.8 10.4 4.2 56 64 A T - 0 0 74 167,-0.1 171,-0.2 -2,-0.1 -1,-0.1 -0.582 36.1-145.5 -75.4 123.0 18.1 8.5 1.3 57 65 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.280 26.1 -92.4 -81.6 177.1 14.3 8.5 1.8 58 66 A V - 0 0 36 1,-0.1 165,-0.1 2,-0.0 4,-0.1 -0.581 38.9-115.4 -88.0 153.8 12.1 5.6 0.7 59 67 A S - 0 0 59 -2,-0.2 6,-0.1 2,-0.2 -1,-0.1 -0.298 29.2-105.7 -78.4 172.4 10.5 5.5 -2.7 60 68 A Q S S+ 0 0 194 4,-0.1 2,-0.7 -2,-0.0 -1,-0.1 0.703 87.5 116.2 -70.4 -21.1 6.7 5.7 -3.1 61 69 A D >> - 0 0 91 1,-0.2 3,-1.7 2,-0.1 4,-1.3 -0.321 58.7-156.2 -53.6 99.4 6.9 1.9 -4.0 62 70 A V H 3> S+ 0 0 64 -2,-0.7 4,-3.8 1,-0.3 5,-0.2 0.735 88.1 69.4 -53.6 -24.6 4.9 0.6 -1.1 63 71 A A H 3> S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.902 101.2 46.3 -61.1 -40.6 6.7 -2.8 -1.5 64 72 A E H <> S+ 0 0 51 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.908 114.0 47.5 -67.2 -43.4 9.9 -1.1 -0.2 65 73 A T H X S+ 0 0 4 -4,-1.3 4,-3.4 2,-0.2 5,-0.3 0.944 111.8 50.9 -61.8 -48.6 8.0 0.6 2.7 66 74 A K H X S+ 0 0 78 -4,-3.8 4,-1.6 1,-0.2 -2,-0.2 0.952 107.5 53.1 -53.8 -54.0 6.4 -2.8 3.5 67 75 A N H < S+ 0 0 93 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.876 116.1 39.2 -48.9 -47.3 9.8 -4.5 3.5 68 76 A L H >< S+ 0 0 15 -4,-1.9 3,-2.6 1,-0.2 4,-0.4 0.973 113.5 52.3 -69.9 -55.3 11.2 -2.0 6.0 69 77 A L H >< S+ 0 0 3 -4,-3.4 3,-0.6 1,-0.3 -1,-0.2 0.703 102.1 66.4 -55.0 -16.0 8.0 -1.7 8.1 70 78 A D T 3< S+ 0 0 61 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.737 100.5 46.3 -76.4 -24.9 8.2 -5.5 8.3 71 79 A K T < S+ 0 0 43 -3,-2.6 136,-2.9 -4,-0.4 135,-2.5 0.291 98.4 96.6 -99.6 8.5 11.4 -5.4 10.3 72 80 A L E < -d 207 0B 0 -3,-0.6 2,-0.4 -4,-0.4 136,-0.2 -0.802 47.8-171.3-109.2 140.7 10.2 -2.8 12.8 73 81 A V E -d 208 0B 1 134,-1.2 136,-1.9 -2,-0.4 2,-0.6 -0.938 18.5-139.4-120.9 146.7 8.7 -2.9 16.2 74 82 A V E -de 209 123B 2 48,-2.6 50,-3.6 -2,-0.4 2,-0.4 -0.942 24.1-179.1-109.1 117.5 7.3 0.1 18.1 75 83 A L E - e 0 124B 0 134,-1.5 136,-0.5 -2,-0.6 2,-0.4 -0.913 10.1-162.0-114.6 142.4 8.1 0.2 21.8 76 84 A K E - e 0 125B 14 48,-2.1 50,-3.8 -2,-0.4 2,-0.7 -0.974 22.3-129.6-124.2 136.5 6.9 2.8 24.2 77 85 A L E +fe 212 126B 13 134,-1.4 136,-0.9 -2,-0.4 50,-0.1 -0.827 32.9 174.9 -81.5 118.6 8.6 3.4 27.6 78 86 A N + 0 0 4 48,-3.2 2,-0.9 -2,-0.7 50,-0.4 -0.016 37.8 114.6-118.5 27.5 5.5 3.4 29.7 79 87 A G + 0 0 35 48,-0.2 2,-0.2 11,-0.1 48,-0.1 -0.791 51.6 79.7-103.3 90.8 7.2 3.6 33.1 80 88 A G - 0 0 29 -2,-0.9 11,-3.0 48,-0.1 12,-0.4 -0.635 60.3-136.1 171.1 130.0 6.2 6.9 34.6 81 89 A L B -K 90 0C 59 9,-0.3 3,-0.3 -2,-0.2 7,-0.1 -0.349 24.1-123.4 -87.0 172.6 3.3 8.5 36.5 82 90 A G S > >S+ 0 0 2 7,-2.2 3,-2.0 5,-0.3 5,-1.9 0.105 74.3 119.6-103.0 22.0 1.9 12.0 35.8 83 91 A T G > 5 + 0 0 100 1,-0.3 3,-1.9 3,-0.2 -1,-0.2 0.830 64.9 66.4 -54.5 -34.5 2.5 13.1 39.3 84 92 A T G 3 5S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.717 104.7 44.8 -60.1 -22.0 4.9 15.9 38.0 85 93 A M G < 5S- 0 0 2 -3,-2.0 310,-2.4 2,-0.2 -1,-0.3 -0.027 122.6-103.0-113.4 27.3 1.8 17.5 36.4 86 94 A G T < 5S+ 0 0 22 -3,-1.9 2,-0.4 308,-0.3 310,-0.3 0.780 83.6 127.2 57.4 30.4 -0.5 17.1 39.4 87 95 A C < - 0 0 28 -5,-1.9 -5,-0.3 2,-0.1 -2,-0.2 -0.948 56.0-134.3-122.8 140.5 -2.2 14.2 37.7 88 96 A T + 0 0 140 -2,-0.4 0, 0.0 -7,-0.1 0, 0.0 -0.561 68.5 33.1 -85.2 153.5 -2.9 10.7 38.9 89 97 A G S S- 0 0 22 -2,-0.2 -7,-2.2 41,-0.1 -6,-0.2 -0.242 102.1 -21.2 95.5 173.9 -2.2 7.8 36.5 90 98 A P B > -K 81 0C 5 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.212 57.4-121.6 -57.2 147.7 0.4 7.0 33.8 91 99 A K G > S+ 0 0 21 -11,-3.0 3,-1.2 1,-0.3 11,-0.2 0.899 115.0 54.3 -56.8 -39.1 2.1 10.0 32.2 92 100 A S G 3 S+ 0 0 1 -12,-0.4 11,-1.8 1,-0.2 10,-1.1 0.643 92.5 69.9 -72.2 -17.1 0.7 8.7 28.9 93 101 A V G < S+ 0 0 42 -3,-1.1 -1,-0.2 9,-0.2 -2,-0.2 0.496 75.9 105.7 -80.3 -1.9 -3.0 8.6 30.1 94 102 A I S < S- 0 0 15 -3,-1.2 8,-1.1 -4,-0.3 2,-0.6 -0.259 81.9-105.8 -66.8 169.7 -3.1 12.4 30.2 95 103 A E E -L 101 0D 111 6,-0.2 6,-0.3 1,-0.2 3,-0.1 -0.872 31.6-175.0-104.6 119.2 -5.1 14.1 27.4 96 104 A V E - 0 0 0 4,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.982 65.0 -26.6 -75.5 -59.3 -3.0 15.8 24.7 97 105 A R E > S+L 100 0D 40 3,-0.8 3,-1.5 1,-0.0 -1,-0.3 -0.976 122.6 12.6-157.6 145.3 -5.6 17.5 22.5 98 106 A D T 3 S- 0 0 110 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.834 123.3 -62.5 55.2 40.9 -9.3 16.8 21.7 99 107 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.370 103.5 125.4 71.4 -5.0 -9.9 14.2 24.5 100 108 A L E < -L 97 0D 55 -3,-1.5 -4,-2.1 -5,-0.1 -3,-0.8 -0.714 49.5-143.2 -90.1 137.0 -7.3 11.7 23.1 101 109 A T E > -L 95 0D 16 -2,-0.4 4,-2.6 -6,-0.3 5,-0.4 -0.447 28.1-101.6 -96.2 170.0 -4.5 10.5 25.4 102 110 A F H > S+ 0 0 4 -10,-1.1 4,-2.2 -8,-1.1 -9,-0.2 0.939 128.4 44.9 -55.2 -48.0 -0.9 9.7 24.7 103 111 A L H > S+ 0 0 2 -11,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.873 111.7 57.3 -66.2 -27.7 -1.8 6.0 24.7 104 112 A D H > S+ 0 0 20 -12,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.882 110.1 39.6 -66.5 -43.7 -4.8 6.9 22.6 105 113 A L H X S+ 0 0 7 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.830 109.8 62.8 -74.2 -33.6 -2.9 8.6 19.7 106 114 A I H X S+ 0 0 10 -4,-2.2 4,-1.7 -5,-0.4 5,-0.3 0.976 105.1 44.2 -55.3 -54.2 -0.2 6.0 20.0 107 115 A V H X S+ 0 0 4 -4,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.765 114.3 55.0 -62.9 -20.3 -2.7 3.2 19.0 108 116 A I H X S+ 0 0 45 -4,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.975 106.8 44.2 -75.3 -58.0 -4.0 5.6 16.3 109 117 A Q H X S+ 0 0 29 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.883 111.2 52.5 -56.6 -46.5 -0.7 6.4 14.4 110 118 A I H X S+ 0 0 7 -4,-1.7 4,-2.0 -5,-0.3 3,-0.2 0.934 109.2 52.6 -58.9 -39.7 0.6 2.9 14.3 111 119 A E H X S+ 0 0 65 -4,-0.9 4,-1.8 -5,-0.3 -1,-0.2 0.866 107.7 50.0 -62.2 -37.4 -2.8 1.9 12.8 112 120 A N H X S+ 0 0 55 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.777 109.3 52.6 -72.4 -26.1 -2.5 4.6 10.1 113 121 A L H X S+ 0 0 52 -4,-1.8 4,-0.7 -3,-0.2 6,-0.3 0.878 115.2 39.4 -76.0 -36.9 1.0 3.4 9.1 114 122 A N H X S+ 0 0 2 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.769 113.1 58.2 -81.1 -26.3 -0.2 -0.2 8.8 115 123 A N H < S+ 0 0 128 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.911 109.2 43.6 -66.7 -43.2 -3.4 1.0 7.1 116 124 A K H < S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.684 129.9 25.7 -76.7 -20.5 -1.5 2.8 4.4 117 125 A Y H < S- 0 0 48 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.494 92.6-128.6-125.3 -3.0 0.9 -0.1 3.9 118 126 A G < + 0 0 58 -4,-2.7 -4,-0.1 1,-0.2 -3,-0.1 0.272 68.2 122.7 75.5 -15.9 -0.9 -3.3 5.0 119 127 A C - 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