==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-APR-08 3CV3 . COMPND 2 MOLECULE: GLUCURONOSYLTRANSFERASE GUMK; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR M.BARRERAS . 369 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 15.7 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 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 24.4 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 5 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 6 1 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 0 275 0, 0.0 31,-0.2 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 104.0 -2.7 88.0 7.0 2 15 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.309 360.0-125.3 -70.0 152.6 0.7 88.8 8.5 3 16 A C - 0 0 13 28,-0.2 110,-3.3 29,-0.2 111,-2.3 -0.900 25.8-158.9-111.2 131.7 3.4 90.5 6.6 4 17 A Y E -a 114 0A 12 -2,-0.5 30,-2.4 108,-0.2 2,-0.4 -0.886 12.4-168.8-116.6 136.4 6.7 88.8 6.4 5 18 A L E -ab 115 34A 0 109,-2.4 111,-3.6 -2,-0.4 2,-0.5 -0.999 8.7-163.9-119.8 130.5 10.2 90.1 5.6 6 19 A V E -ab 116 35A 0 28,-2.5 30,-3.2 -2,-0.4 2,-0.5 -0.953 1.3-162.7-111.3 131.6 13.0 87.6 5.0 7 20 A L E +ab 117 36A 0 109,-3.4 111,-2.9 -2,-0.5 2,-0.3 -0.969 30.4 135.2-114.3 128.8 16.6 88.8 5.1 8 21 A S E - b 0 37A 1 28,-1.9 30,-2.9 -2,-0.5 4,-0.1 -0.976 62.4-120.4-161.1 161.9 19.1 86.5 3.5 9 22 A S S S+ 0 0 20 -2,-0.3 2,-0.1 28,-0.3 28,-0.1 0.462 94.0 87.5 -95.4 0.6 22.0 86.7 1.2 10 23 A H S S- 0 0 63 26,-0.1 2,-0.4 40,-0.0 28,-0.3 -0.430 78.6-134.4 -69.5 162.8 20.1 84.5 -1.1 11 24 A D > - 0 0 0 -2,-0.1 3,-1.3 26,-0.1 25,-0.1 -0.985 9.1-134.8-116.9 140.8 17.9 86.2 -3.5 12 25 A F T 3 S+ 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 24,-0.0 0.726 102.1 59.1 -60.9 -26.5 14.4 84.8 -3.9 13 26 A R T 3 S+ 0 0 26 4,-0.0 -1,-0.3 38,-0.0 4,-0.1 0.636 75.0 111.2 -80.0 -16.8 14.6 85.0 -7.7 14 27 A T S < S- 0 0 18 -3,-1.3 37,-0.1 1,-0.1 36,-0.0 -0.446 72.9-125.4 -69.2 135.8 17.7 82.8 -8.1 15 28 A P S S+ 0 0 91 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.764 91.7 68.2 -57.4 -41.8 16.7 79.5 -9.8 16 29 A R S S- 0 0 143 245,-0.1 -2,-0.1 246,-0.0 5,-0.1 -0.677 83.8-141.0 -86.9 103.7 17.9 76.8 -7.4 17 30 A R - 0 0 95 -2,-1.3 2,-0.2 -4,-0.1 -5,-0.1 -0.318 15.3-160.9 -58.5 130.7 15.6 77.2 -4.4 18 31 A A >> - 0 0 15 275,-0.0 4,-1.4 -6,-0.0 3,-1.0 -0.547 43.5 -83.4 -94.9 176.8 17.4 76.8 -1.0 19 32 A N H 3> S+ 0 0 9 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.848 129.6 57.5 -49.2 -41.6 15.5 76.1 2.3 20 33 A I H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.848 102.8 55.1 -66.1 -32.1 14.7 79.7 2.8 21 34 A H H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.902 107.7 48.4 -64.0 -42.8 13.0 79.9 -0.6 22 35 A F H X S+ 0 0 15 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.889 113.5 46.7 -65.4 -37.2 10.7 77.0 0.3 23 36 A I H >X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.6 0.943 110.8 53.3 -66.4 -44.6 9.8 78.7 3.6 24 37 A T H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.849 103.0 56.9 -61.4 -37.2 9.3 82.0 1.7 25 38 A D H 3X S+ 0 0 36 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.864 108.8 47.5 -58.4 -38.9 6.9 80.3 -0.7 26 39 A Q H XX S+ 0 0 27 -4,-1.3 4,-0.8 -3,-0.6 3,-0.6 0.878 109.6 52.1 -69.2 -40.7 4.9 79.3 2.3 27 40 A L H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-1.1 0.898 104.2 57.3 -60.4 -41.9 5.1 82.8 3.8 28 41 A A H 3< S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.729 104.2 53.7 -61.6 -24.8 3.8 84.1 0.4 29 42 A L H << S+ 0 0 136 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.719 113.0 44.1 -78.4 -22.7 0.7 81.9 0.9 30 43 A R H << S- 0 0 51 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.725 125.0 -32.8 -97.5 -26.7 0.1 83.4 4.3 31 44 A G S < S- 0 0 10 -4,-1.8 -1,-0.3 -30,-0.2 -28,-0.2 -0.979 87.3 -42.3 179.8-176.8 0.6 87.1 3.7 32 45 A T - 0 0 76 -2,-0.3 36,-0.2 -31,-0.2 -29,-0.2 0.787 65.2-166.6 -41.7 -61.0 2.3 89.9 1.9 33 46 A T - 0 0 0 -31,-0.1 35,-2.6 34,-0.1 2,-0.3 0.910 12.5-169.9 73.9 104.9 6.0 88.5 1.9 34 47 A R E -bc 5 68A 35 -30,-2.4 -28,-2.5 33,-0.2 2,-0.5 -0.882 7.6-157.7-125.6 143.0 9.2 90.4 1.0 35 48 A F E -bc 6 69A 0 33,-3.2 35,-2.3 -2,-0.3 2,-0.6 -0.943 6.8-164.6-130.7 112.0 12.6 89.0 0.5 36 49 A F E -bc 7 70A 0 -30,-3.2 -28,-1.9 -2,-0.5 2,-0.5 -0.871 11.9-145.2-108.0 120.5 15.5 91.3 1.0 37 50 A S E -bc 8 71A 0 33,-3.2 35,-2.0 -2,-0.6 -28,-0.3 -0.701 20.0-171.3-100.6 125.8 18.8 90.1 -0.4 38 51 A L + 0 0 0 -30,-2.9 3,-0.1 -2,-0.5 84,-0.1 -0.489 54.0 43.2-110.8 168.3 22.0 91.0 1.5 39 52 A R S S+ 0 0 101 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.767 77.4 131.7 71.9 23.9 25.8 90.8 1.0 40 53 A Y + 0 0 0 32,-0.4 34,-1.9 -3,-0.2 2,-0.3 -0.931 24.3 144.5-114.3 130.3 25.5 91.9 -2.6 41 54 A S B > -i 74 0B 0 -2,-0.5 4,-1.4 32,-0.3 34,-0.3 -0.899 65.9 -90.8-147.0 177.1 27.8 94.7 -3.8 42 55 A R H > S+ 0 0 122 32,-2.0 4,-1.4 33,-0.3 34,-0.2 0.889 129.8 54.4 -59.0 -36.4 29.8 95.9 -6.8 43 56 A L H 4 S+ 0 0 52 32,-1.7 -1,-0.2 1,-0.2 3,-0.1 0.907 102.6 56.1 -60.0 -43.7 32.6 93.9 -5.2 44 57 A S H >4>S+ 0 0 8 1,-0.2 5,-1.3 31,-0.1 3,-1.0 0.866 102.7 57.1 -51.0 -42.7 30.3 90.8 -5.2 45 58 A R H ><5S+ 0 0 78 -4,-1.4 3,-1.3 1,-0.3 2,-0.8 0.894 100.4 54.2 -67.2 -44.4 29.9 91.2 -8.9 46 59 A M T 3<5S+ 0 0 148 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.154 108.9 52.5 -82.2 41.2 33.5 91.0 -9.7 47 60 A K T < 5S- 0 0 173 -3,-1.0 -1,-0.2 -2,-0.8 -2,-0.2 0.237 120.2 -93.9-157.8 4.9 33.8 87.7 -7.8 48 61 A G T < 5 - 0 0 45 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.774 48.5-173.1 87.1 31.5 31.0 85.6 -9.4 49 62 A D > < - 0 0 28 -5,-1.3 3,-2.2 1,-0.1 -1,-0.2 -0.306 30.5-128.4 -54.0 133.4 27.9 86.0 -7.2 50 63 A M T 3 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.1 -40,-0.0 0.709 108.1 61.2 -50.1 -22.7 24.9 83.8 -8.2 51 64 A R T > + 0 0 5 1,-0.2 3,-2.6 2,-0.1 -1,-0.3 0.415 68.2 103.6 -93.1 0.2 22.9 86.9 -8.2 52 65 A L G X S+ 0 0 50 -3,-2.2 3,-2.9 1,-0.3 4,-0.3 0.883 72.9 63.9 -53.9 -41.5 24.8 88.8 -10.9 53 66 A P G 3 S+ 0 0 116 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.697 102.8 51.9 -56.1 -14.4 22.0 88.0 -13.5 54 67 A L G X S+ 0 0 27 -3,-2.6 3,-2.7 1,-0.2 4,-0.4 0.383 77.0 108.9 -96.5 2.5 19.8 90.2 -11.2 55 68 A D G X S+ 0 0 20 -3,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.815 70.5 57.9 -59.0 -34.9 22.2 93.1 -11.2 56 69 A D G 3 S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.489 106.2 51.5 -72.6 -5.1 20.1 95.4 -13.4 57 70 A T G X S+ 0 0 36 -3,-2.7 3,-1.1 3,-0.0 14,-0.3 0.410 82.3 137.1-104.1 -3.7 17.3 95.1 -10.9 58 71 A A T < + 0 0 12 -3,-1.6 14,-0.2 -4,-0.4 3,-0.1 -0.078 68.4 12.0 -51.3 138.7 19.5 96.0 -7.9 59 72 A N T 3 S+ 0 0 57 12,-3.1 2,-0.3 1,-0.2 -1,-0.2 0.703 109.5 92.9 67.9 24.3 18.0 98.4 -5.4 60 73 A T S < S- 0 0 70 -3,-1.1 11,-0.7 11,-0.2 2,-0.4 -0.958 80.0-105.0-138.7 161.1 14.5 98.2 -6.7 61 74 A V E -D 70 0A 59 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.709 34.9-176.3 -89.0 129.8 11.6 96.0 -5.7 62 75 A V E -D 69 0A 45 7,-2.8 7,-3.6 -2,-0.4 2,-0.4 -0.986 22.1-130.8-126.7 136.2 10.7 93.2 -8.1 63 76 A S E +D 68 0A 84 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.732 29.4 173.2 -88.0 131.2 7.7 90.9 -7.7 64 77 A H E > -D 67 0A 61 3,-2.8 3,-1.4 -2,-0.4 -2,-0.0 -0.907 68.2 -25.8-142.3 110.9 8.5 87.2 -8.1 65 78 A N T 3 S- 0 0 113 -2,-0.4 3,-0.1 1,-0.3 -37,-0.1 0.911 127.4 -46.5 52.2 46.0 6.0 84.5 -7.4 66 79 A G T 3 S+ 0 0 51 1,-0.2 2,-0.5 -37,-0.0 -1,-0.3 0.555 117.9 114.1 78.1 7.7 4.0 86.7 -5.1 67 80 A V E < - D 0 64A 0 -3,-1.4 -3,-2.8 -32,-0.0 2,-0.7 -0.948 65.6-133.2-113.6 134.0 7.1 87.8 -3.2 68 81 A D E -cD 34 63A 38 -35,-2.6 -33,-3.2 -2,-0.5 2,-0.4 -0.735 32.1-164.6 -81.0 116.3 8.5 91.3 -3.2 69 82 A C E -cD 35 62A 0 -7,-3.6 -7,-2.8 -2,-0.7 2,-0.4 -0.795 15.0-178.3-108.9 142.0 12.2 90.9 -3.9 70 83 A Y E -cD 36 61A 16 -35,-2.3 -33,-3.2 -2,-0.4 2,-0.9 -0.925 12.2-160.5-141.3 116.4 14.9 93.5 -3.3 71 84 A L E -c 37 0A 0 -11,-0.7 -12,-3.1 -2,-0.4 2,-0.5 -0.834 18.4-149.5 -93.9 107.5 18.5 92.9 -4.2 72 85 A W - 0 0 17 -35,-2.0 2,-0.6 -2,-0.9 -32,-0.4 -0.601 14.1-170.0 -77.7 123.7 20.4 95.4 -2.2 73 86 A R + 0 0 44 -2,-0.5 -32,-0.3 -34,-0.1 2,-0.2 -0.952 8.8 173.1-120.0 117.5 23.6 96.4 -4.0 74 87 A T B -i 41 0B 30 -34,-1.9 -32,-2.0 -2,-0.6 -31,-0.2 -0.572 45.1-107.7-104.7 177.8 26.1 98.5 -2.2 75 88 A T S S+ 0 0 96 -34,-0.3 -32,-1.7 1,-0.2 -33,-0.3 0.970 102.3 4.0 -72.5 -53.9 29.6 99.4 -3.5 76 89 A V S S- 0 0 74 -34,-0.2 -1,-0.2 -35,-0.2 -36,-0.1 -0.860 70.3-150.1-121.9 159.7 31.3 97.1 -1.1 77 90 A H - 0 0 21 -2,-0.3 17,-0.1 -38,-0.1 2,-0.1 -0.963 28.2-104.4-122.6 153.0 29.9 94.6 1.4 78 91 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 12,-0.1 -0.395 49.1 163.5 -72.2 150.3 31.5 93.6 4.7 79 92 A F - 0 0 84 -2,-0.1 2,-0.7 72,-0.1 3,-0.1 -0.974 47.0 -80.4-158.5 166.5 33.1 90.1 4.8 80 93 A N - 0 0 36 -2,-0.3 7,-0.0 70,-0.2 72,-0.0 -0.714 33.0-173.9 -75.5 113.3 35.5 87.9 6.7 81 94 A T - 0 0 17 -2,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.771 29.4-140.5 -75.8 -28.6 39.0 88.9 5.5 82 95 A R + 0 0 188 1,-0.2 2,-0.5 -3,-0.1 -2,-0.1 0.705 69.1 111.1 74.2 24.0 40.3 85.9 7.6 83 96 A R > - 0 0 147 1,-0.1 3,-1.5 0, 0.0 4,-0.2 -0.982 61.5-152.0-129.6 111.9 43.2 88.0 8.7 84 97 A S G > S+ 0 0 91 -2,-0.5 3,-0.6 1,-0.3 -1,-0.1 0.673 94.2 60.0 -68.7 -15.9 42.9 88.7 12.4 85 98 A W G 3 S+ 0 0 190 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.753 99.8 57.6 -79.0 -25.1 44.9 91.9 12.1 86 99 A L G X> S+ 0 0 37 -3,-1.5 4,-2.1 1,-0.2 3,-1.1 0.413 78.2 106.5 -79.3 0.5 42.2 93.2 9.6 87 100 A R H <> S+ 0 0 104 -3,-0.6 4,-3.2 1,-0.3 5,-0.2 0.814 73.4 50.7 -51.0 -43.3 39.6 92.7 12.3 88 101 A P H 3> S+ 0 0 82 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.749 110.0 51.5 -77.2 -17.5 39.0 96.3 13.2 89 102 A V H <> S+ 0 0 71 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.862 111.8 48.3 -72.4 -41.5 38.5 97.1 9.5 90 103 A E H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.972 111.4 47.9 -58.3 -57.7 36.0 94.2 9.4 91 104 A D H X S+ 0 0 22 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.904 112.3 51.9 -50.7 -42.9 34.2 95.5 12.4 92 105 A A H X S+ 0 0 45 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.919 111.3 45.6 -62.0 -43.4 34.2 98.9 10.8 93 106 A M H X S+ 0 0 49 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.873 114.8 46.8 -70.6 -36.5 32.7 97.6 7.6 94 107 A F H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.913 114.0 47.8 -71.6 -41.8 30.1 95.6 9.3 95 108 A R H X S+ 0 0 134 -4,-3.0 4,-1.9 -5,-0.3 -2,-0.2 0.935 114.4 47.6 -62.9 -42.4 29.2 98.4 11.6 96 109 A W H X S+ 0 0 176 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.938 112.7 48.3 -62.8 -48.7 29.1 100.7 8.5 97 110 A Y H >< S+ 0 0 9 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.914 114.0 46.0 -56.3 -48.1 27.0 98.2 6.5 98 111 A A H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.787 110.2 55.1 -68.7 -29.2 24.5 97.8 9.4 99 112 A A H 3< S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.540 105.4 54.5 -82.6 -7.3 24.4 101.6 9.9 100 113 A H << + 0 0 93 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 -0.358 67.2 162.7-124.7 53.7 23.4 102.3 6.4 101 114 A P - 0 0 23 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.428 44.1-110.0 -64.9 150.7 20.3 100.2 5.6 102 115 A P >> - 0 0 22 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.470 25.9-111.7 -76.0 155.1 18.4 101.4 2.5 103 116 A K H 3> S+ 0 0 146 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.859 116.7 62.6 -50.1 -39.7 15.1 103.1 3.1 104 117 A Q H 3> S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 103.5 47.9 -58.3 -41.1 13.4 100.1 1.4 105 118 A L H <> S+ 0 0 0 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.940 112.5 48.9 -61.6 -49.1 14.7 97.8 4.1 106 119 A L H X S+ 0 0 49 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.905 112.3 48.6 -59.3 -42.5 13.5 100.1 6.8 107 120 A D H X S+ 0 0 18 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.920 112.2 48.3 -64.6 -44.7 10.1 100.4 5.2 108 121 A W H X S+ 0 0 6 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.896 109.8 52.0 -64.3 -39.4 9.8 96.7 4.9 109 122 A M H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.937 110.9 49.0 -58.8 -45.7 10.8 96.2 8.5 110 123 A R H 3< S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.866 112.1 48.0 -61.3 -38.4 8.2 98.7 9.6 111 124 A E H 3< S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.680 96.0 98.0 -78.4 -13.5 5.6 97.0 7.5 112 125 A S << - 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0 0 69 -3,-2.6 4,-2.2 1,-0.2 -3,-0.4 -0.833 48.5-171.7-105.5 101.2 39.0 56.3 -0.6 326 339 A A H > S+ 0 0 40 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.876 84.1 55.4 -57.6 -45.9 37.9 54.0 -3.5 327 340 A D H > S+ 0 0 128 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.923 109.8 45.2 -53.4 -49.1 37.6 51.0 -1.2 328 341 A S H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.879 111.7 53.2 -66.5 -35.9 35.2 52.7 1.2 329 342 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 -7,-0.3 -2,-0.2 0.940 113.3 43.9 -60.3 -47.5 33.2 54.1 -1.8 330 343 A I H X S+ 0 0 54 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.934 113.9 49.5 -67.5 -42.5 32.8 50.6 -3.2 331 344 A A H X S+ 0 0 54 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.939 111.7 48.9 -62.2 -45.0 32.0 49.1 0.2 332 345 A A H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.912 112.9 47.2 -60.7 -42.9 29.4 51.8 1.0 333 346 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.892 107.7 56.2 -65.0 -40.5 27.7 51.3 -2.4 334 347 A T H X S+ 0 0 70 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.924 112.7 42.6 -59.3 -43.7 27.8 47.5 -2.0 335 348 A Q H >X S+ 0 0 112 -4,-2.2 3,-0.7 2,-0.2 4,-0.6 0.887 110.9 53.9 -67.0 -44.4 25.8 48.0 1.2 336 349 A A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.895 103.2 59.4 -57.1 -39.4 23.5 50.7 -0.2 337 350 A L H 3< S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 113.0 37.2 -61.2 -28.6 22.6 48.2 -3.0 338 351 A E H << S+ 0 0 151 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.410 90.7 112.1-105.0 -0.1 21.3 45.7 -0.5 339 352 A A << - 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