==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JUN-07 2Q6V . COMPND 2 MOLECULE: GLUCURONOSYLTRANSFERASE GUMK; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR M.BARRERAS . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.4 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 . 1 0.3 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 . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 0 1 1 3 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 4 3 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 14 A R 0 0 170 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 5.8 -1.9 90.3 6.8 2 15 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 110,-0.1 0.757 360.0-152.8 -18.5 133.3 0.6 88.9 8.4 3 16 A C - 0 0 5 28,-0.2 110,-3.3 108,-0.2 111,-2.1 -0.865 11.3-162.2-101.9 127.7 3.4 90.7 6.6 4 17 A Y E -ab 33 114A 13 28,-3.1 30,-2.4 -2,-0.5 2,-0.4 -0.867 12.0-169.2-113.1 141.8 6.7 88.9 6.3 5 18 A L E -ab 34 115A 0 109,-2.3 111,-3.7 -2,-0.4 2,-0.5 -1.000 7.7-161.7-125.8 131.5 10.1 90.2 5.6 6 19 A V E -ab 35 116A 0 28,-2.7 30,-3.4 -2,-0.4 2,-0.5 -0.941 0.4-162.8-111.5 131.7 13.0 87.8 4.9 7 20 A L E +ab 36 117A 0 109,-3.4 111,-2.6 -2,-0.5 2,-0.3 -0.973 30.0 139.1-113.5 129.9 16.6 88.9 5.1 8 21 A S E -a 37 0A 1 28,-1.9 30,-3.0 -2,-0.5 4,-0.1 -0.982 62.7-120.8-161.6 156.8 19.1 86.7 3.4 9 22 A S S S+ 0 0 40 -2,-0.3 2,-0.1 110,-0.3 28,-0.1 0.538 95.9 83.6 -81.3 -12.3 22.2 86.6 1.3 10 23 A H S S- 0 0 54 26,-0.1 2,-0.4 40,-0.0 28,-0.3 -0.450 78.2-135.1 -72.0 159.6 20.1 84.6 -1.2 11 24 A D > - 0 0 0 26,-0.1 3,-1.3 -2,-0.1 10,-0.1 -0.971 11.8-134.0-110.3 144.3 17.9 86.4 -3.6 12 25 A F T 3 S+ 0 0 2 -2,-0.4 -1,-0.1 1,-0.2 24,-0.0 0.720 101.3 63.4 -64.0 -25.1 14.4 85.0 -4.0 13 26 A R T 3 S+ 0 0 26 38,-0.0 -1,-0.2 4,-0.0 4,-0.1 0.588 74.3 116.9 -81.5 -9.7 14.7 85.2 -7.8 14 27 A T < - 0 0 7 -3,-1.3 37,-0.1 1,-0.1 -4,-0.0 -0.316 64.6-139.8 -61.5 137.7 17.6 82.7 -8.1 15 28 A P S S+ 0 0 99 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.854 91.8 78.1 -66.8 -33.8 16.8 79.6 -10.0 16 29 A R S S- 0 0 105 245,-0.1 2,-0.5 243,-0.0 -2,-0.1 -0.649 79.5-158.2 -77.6 98.8 18.8 77.6 -7.5 17 30 A R - 0 0 76 -2,-1.3 2,-0.2 -4,-0.1 -5,-0.1 -0.737 10.9-173.0 -84.1 127.6 16.2 77.4 -4.6 18 31 A A >> - 0 0 26 -2,-0.5 4,-1.3 275,-0.0 3,-1.0 -0.461 46.6 -79.7-103.9 179.0 17.5 76.8 -1.1 19 32 A N H 3> S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.818 126.9 58.4 -49.4 -41.4 15.5 76.2 2.1 20 33 A I H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.825 102.7 55.4 -65.0 -32.8 14.8 79.9 2.7 21 34 A H H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.903 107.6 48.4 -60.0 -45.1 13.0 80.0 -0.8 22 35 A F H X S+ 0 0 19 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.881 113.5 46.6 -67.4 -38.4 10.8 77.1 0.2 23 36 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.3 0.927 110.9 53.5 -63.8 -44.2 9.9 78.9 3.5 24 37 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -2,-0.2 0.877 103.3 56.8 -63.4 -36.7 9.4 82.1 1.6 25 38 A D H X S+ 0 0 41 -4,-2.4 4,-0.7 2,-0.2 -1,-0.3 0.898 108.6 47.2 -55.8 -42.6 6.9 80.4 -0.7 26 39 A Q H >X S+ 0 0 27 -4,-1.2 4,-0.7 -3,-0.3 3,-0.7 0.894 111.0 50.6 -66.6 -40.6 5.0 79.4 2.4 27 40 A L H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-1.4 0.907 104.4 57.9 -62.1 -43.4 5.1 82.9 3.8 28 41 A A H 3< S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.734 105.0 52.9 -60.8 -21.3 3.9 84.3 0.4 29 42 A L H << S+ 0 0 132 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.684 111.3 45.9 -81.8 -20.5 0.8 82.1 0.9 30 43 A R H << S- 0 0 55 -3,-1.5 2,-0.3 -4,-0.7 -2,-0.2 0.640 126.2 -42.8 -99.9 -17.8 0.2 83.5 4.4 31 44 A G S < S- 0 0 16 -4,-1.4 -1,-0.3 -27,-0.0 -28,-0.2 -0.978 87.9 -31.0 170.8 176.3 0.6 87.2 3.6 32 45 A T - 0 0 62 -2,-0.3 -28,-3.1 -3,-0.1 2,-0.4 -0.425 62.8-165.1 -57.5 128.8 2.6 89.9 1.9 33 46 A T E -ac 4 67A 0 33,-0.6 35,-2.8 -30,-0.2 2,-0.4 -0.972 12.7-170.3-132.1 128.4 6.1 88.7 1.8 34 47 A R E -ac 5 68A 29 -30,-2.4 -28,-2.7 -2,-0.4 2,-0.5 -0.901 7.0-159.2-118.4 147.7 9.3 90.6 1.1 35 48 A F E -ac 6 69A 0 33,-3.1 35,-2.3 -2,-0.4 2,-0.6 -0.940 6.6-165.2-133.7 107.0 12.7 89.2 0.5 36 49 A F E -ac 7 70A 0 -30,-3.4 -28,-1.9 -2,-0.5 2,-0.5 -0.850 11.2-148.0-101.8 116.9 15.5 91.5 1.0 37 50 A S E -ac 8 71A 0 33,-3.6 35,-2.1 -2,-0.6 -28,-0.2 -0.735 19.7-173.1 -97.6 124.1 18.8 90.2 -0.5 38 51 A L + 0 0 0 -30,-3.0 3,-0.1 -2,-0.5 84,-0.1 -0.488 51.7 46.6-110.3 172.4 22.0 91.2 1.3 39 52 A R S S+ 0 0 72 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.853 76.5 128.7 66.1 36.3 25.8 90.9 0.9 40 53 A Y + 0 0 0 32,-0.5 34,-1.9 -3,-0.2 2,-0.3 -0.989 24.8 143.2-126.8 130.2 25.7 92.1 -2.7 41 54 A S B -i 74 0B 1 -2,-0.4 3,-0.5 32,-0.3 34,-0.3 -0.860 67.2 -85.5-147.3-179.1 27.9 94.9 -3.9 42 55 A R S > S+ 0 0 146 32,-1.3 3,-1.5 33,-0.5 4,-0.3 0.832 127.2 62.2 -61.3 -33.1 29.9 96.1 -6.9 43 56 A L G >> S+ 0 0 60 32,-1.4 3,-2.2 1,-0.3 4,-0.8 0.787 83.0 79.1 -59.4 -30.2 32.7 93.9 -5.3 44 57 A S G 34>S+ 0 0 7 -3,-0.5 5,-1.9 1,-0.3 -1,-0.3 0.670 84.9 61.4 -55.8 -21.9 30.4 90.9 -5.9 45 58 A R G <45S+ 0 0 144 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.760 94.1 63.9 -69.1 -32.0 31.5 91.0 -9.5 46 59 A M T <45S+ 0 0 151 -3,-2.2 -2,-0.2 -4,-0.3 2,-0.1 0.994 114.1 28.8 -58.6 -68.5 35.1 90.3 -8.4 47 60 A K T <5S- 0 0 184 -4,-0.8 2,-0.6 1,-0.0 0, 0.0 -0.308 115.9 -97.1 -75.7 178.5 34.4 86.9 -7.0 48 61 A G T 5 - 0 0 70 -2,-0.1 -3,-0.2 2,-0.0 -4,-0.1 -0.353 38.6-161.5-116.6 62.7 31.4 85.6 -9.0 49 62 A D > < - 0 0 37 -5,-1.9 3,-2.0 -2,-0.6 -9,-0.0 0.049 19.2-139.5 -46.7 128.1 28.0 86.1 -7.3 50 63 A M T 3 S+ 0 0 92 1,-0.3 -1,-0.1 2,-0.1 4,-0.0 0.596 101.0 64.7 -61.3 -10.5 25.1 83.9 -8.6 51 64 A R T > + 0 0 6 1,-0.2 3,-2.2 2,-0.1 -1,-0.3 0.436 68.8 101.7 -94.4 -1.7 22.8 87.1 -8.3 52 65 A L G X S+ 0 0 45 -3,-2.0 3,-2.1 1,-0.3 4,-0.3 0.827 70.8 64.8 -53.3 -37.0 24.7 89.0 -11.0 53 66 A P G 3 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.767 103.3 51.4 -54.2 -21.4 22.0 88.2 -13.6 54 67 A L G X S+ 0 0 28 -3,-2.2 3,-2.2 1,-0.2 4,-0.3 0.364 77.5 107.0 -94.9 2.4 19.8 90.3 -11.3 55 68 A D G X S+ 0 0 11 -3,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.793 70.9 58.5 -59.2 -35.5 22.2 93.3 -11.2 56 69 A D G 3 S+ 0 0 158 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.521 106.7 50.8 -72.7 -7.4 20.1 95.6 -13.4 57 70 A T G X S+ 0 0 36 -3,-2.2 3,-1.1 3,-0.0 14,-0.3 0.399 83.7 136.1-102.6 -1.1 17.3 95.2 -11.0 58 71 A A T < + 0 0 11 -3,-1.6 14,-0.2 -4,-0.3 3,-0.1 -0.092 68.3 12.9 -53.5 142.2 19.5 96.1 -8.0 59 72 A N T 3 S+ 0 0 57 12,-3.3 2,-0.3 1,-0.2 -1,-0.2 0.736 109.2 94.5 66.0 24.6 18.1 98.5 -5.4 60 73 A T S < S- 0 0 70 -3,-1.1 11,-0.6 11,-0.2 2,-0.5 -0.953 80.5-106.0-139.0 158.2 14.6 98.3 -6.7 61 74 A V E -D 70 0A 59 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.724 35.7-175.6 -85.3 125.4 11.6 96.2 -5.7 62 75 A V E -D 69 0A 46 7,-3.0 7,-3.4 -2,-0.5 2,-0.4 -0.974 21.2-132.0-121.3 137.0 10.8 93.4 -8.1 63 76 A S E +D 68 0A 82 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.716 29.6 172.8 -85.0 134.6 7.8 91.1 -7.8 64 77 A H E > -D 67 0A 62 3,-2.6 3,-1.7 -2,-0.4 -2,-0.0 -0.874 66.9 -24.5-147.1 114.9 8.5 87.4 -8.1 65 78 A N T 3 S- 0 0 114 -2,-0.3 3,-0.1 1,-0.3 -37,-0.1 0.885 127.6 -47.6 50.9 45.5 6.0 84.6 -7.5 66 79 A G T 3 S+ 0 0 56 1,-0.2 -33,-0.6 -37,-0.0 2,-0.4 0.461 117.7 113.8 80.9 3.1 4.0 86.8 -5.2 67 80 A V E < -cD 33 64A 0 -3,-1.7 -3,-2.6 -35,-0.1 2,-0.6 -0.904 65.4-132.5-110.6 135.3 7.1 88.0 -3.3 68 81 A D E -cD 34 63A 43 -35,-2.8 -33,-3.1 -2,-0.4 2,-0.4 -0.754 33.9-165.4 -82.7 119.6 8.5 91.5 -3.2 69 82 A C E -cD 35 62A 0 -7,-3.4 -7,-3.0 -2,-0.6 2,-0.4 -0.832 16.4-177.3-113.1 146.4 12.2 91.2 -3.9 70 83 A Y E -cD 36 61A 17 -35,-2.3 -33,-3.6 -2,-0.4 2,-0.9 -0.944 13.1-159.3-145.7 120.4 15.0 93.6 -3.4 71 84 A L E -c 37 0A 0 -11,-0.6 -12,-3.3 -2,-0.4 2,-0.5 -0.854 19.1-150.7 -96.2 105.7 18.6 93.0 -4.3 72 85 A W - 0 0 15 -35,-2.1 2,-0.5 -2,-0.9 -32,-0.5 -0.611 14.2-171.7 -78.9 120.4 20.5 95.5 -2.2 73 86 A R + 0 0 44 -2,-0.5 -32,-0.3 -34,-0.1 2,-0.2 -0.958 7.3 174.6-118.1 116.7 23.7 96.5 -4.0 74 87 A T B -i 41 0B 29 -34,-1.9 -32,-1.3 -2,-0.5 -31,-0.2 -0.509 44.9-107.0 -98.6 179.1 26.2 98.6 -2.2 75 88 A T S S+ 0 0 98 1,-0.3 -32,-1.4 -34,-0.3 -33,-0.5 0.943 103.8 6.0 -69.8 -53.3 29.6 99.5 -3.6 76 89 A V S S- 0 0 71 -34,-0.2 -1,-0.3 -35,-0.2 -36,-0.1 -0.921 72.0-150.2-125.3 152.7 31.4 97.2 -1.2 77 90 A H - 0 0 22 -2,-0.3 2,-0.2 -38,-0.1 17,-0.1 -0.911 28.4-104.7-116.2 154.5 29.9 94.7 1.3 78 91 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 12,-0.1 -0.515 50.0 162.4 -76.5 148.2 31.5 93.7 4.6 79 92 A F - 0 0 61 -2,-0.2 2,-0.7 72,-0.1 15,-0.1 -0.962 47.6 -82.5-155.5 165.9 33.1 90.2 4.6 80 93 A N - 0 0 26 -2,-0.3 7,-0.0 70,-0.2 72,-0.0 -0.713 32.0-170.7 -74.9 112.8 35.5 87.9 6.5 81 94 A T - 0 0 23 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.746 30.3-136.9 -75.2 -23.4 38.9 88.9 5.2 82 95 A R S S+ 0 0 165 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.717 71.2 111.9 71.5 24.8 40.2 85.8 7.0 83 96 A R > - 0 0 148 1,-0.1 3,-1.5 0, 0.0 -1,-0.2 -0.984 61.1-152.3-129.8 113.3 43.1 87.9 8.3 84 97 A S G > S+ 0 0 91 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.718 96.3 59.9 -59.8 -23.4 43.1 88.6 12.0 85 98 A W G 3 S+ 0 0 199 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.726 101.3 54.8 -77.7 -22.5 45.0 91.9 11.4 86 99 A L G <> S+ 0 0 39 -3,-1.5 4,-2.4 1,-0.2 3,-0.5 0.311 78.2 102.2 -88.4 5.0 42.1 93.2 9.2 87 100 A R H <> S+ 0 0 94 -3,-0.8 4,-3.1 1,-0.2 5,-0.2 0.852 75.5 54.3 -61.3 -42.0 39.5 92.6 11.9 88 101 A P H > S+ 0 0 92 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.810 112.4 44.9 -63.5 -29.8 39.2 96.3 13.0 89 102 A V H > S+ 0 0 65 -3,-0.5 4,-3.1 2,-0.2 -2,-0.2 0.859 111.9 53.1 -77.1 -39.0 38.5 97.2 9.3 90 103 A E H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.957 110.6 46.5 -51.4 -57.6 36.1 94.3 9.0 91 104 A D H X S+ 0 0 27 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.857 112.2 51.4 -56.0 -40.0 34.2 95.5 12.1 92 105 A A H X S+ 0 0 56 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.945 111.4 47.1 -63.6 -47.4 34.2 99.1 10.6 93 106 A M H X S+ 0 0 48 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.894 114.6 47.2 -60.6 -42.0 32.8 97.7 7.3 94 107 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.927 113.0 47.5 -64.7 -45.7 30.1 95.7 9.2 95 108 A R H X S+ 0 0 136 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.907 114.1 48.7 -59.8 -43.0 29.2 98.6 11.4 96 109 A W H X S+ 0 0 175 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.913 111.9 47.8 -63.9 -45.8 29.0 100.8 8.3 97 110 A Y H >< S+ 0 0 10 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.936 115.3 44.8 -61.8 -48.0 26.9 98.4 6.4 98 111 A A H 3< S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.5 54.1 -66.8 -31.3 24.5 97.9 9.3 99 112 A A H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.633 108.2 51.9 -77.7 -14.6 24.4 101.7 9.9 100 113 A H << + 0 0 93 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 -0.313 68.5 160.5-121.3 49.5 23.4 102.4 6.2 101 114 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.367 46.7-106.5 -65.7 151.3 20.4 100.3 5.4 102 115 A P >> - 0 0 21 0, 0.0 4,-1.8 0, 0.0 3,-1.0 -0.452 26.1-113.7 -75.0 153.4 18.5 101.6 2.4 103 116 A K H 3> S+ 0 0 142 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.854 116.4 65.1 -53.0 -36.5 15.1 103.2 3.2 104 117 A Q H 3> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.879 102.0 47.2 -56.1 -40.7 13.5 100.3 1.4 105 118 A L H <> S+ 0 0 0 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.949 112.7 49.8 -63.5 -46.4 14.7 97.9 4.1 106 119 A L H X S+ 0 0 47 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.925 112.4 47.0 -60.1 -45.8 13.5 100.3 6.8 107 120 A D H X S+ 0 0 20 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.913 113.8 47.3 -61.4 -48.8 10.1 100.6 5.2 108 121 A W H X S+ 0 0 7 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.889 110.3 52.7 -62.9 -39.8 9.8 96.9 4.8 109 122 A M H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.944 111.0 47.9 -55.6 -48.1 10.9 96.4 8.4 110 123 A R H 3< S+ 0 0 135 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.5 50.0 -58.4 -38.3 8.2 98.8 9.6 111 124 A E H 3< S+ 0 0 80 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.630 95.4 96.9 -79.4 -13.5 5.6 97.1 7.5 112 125 A S << - 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