==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-SEP-00 1FWY . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.BROWN,F.POMPEO,S.DIXON,D.MENGIN-LECREULX,C.CAMBILLAU, . 650 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 8.3 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 . 4 0.6 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 . 1 0.2 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 . 86 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 1 0 0 2 4 2 2 1 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 11 4 5 1 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 PARALLEL BRIDGES PER LADDER . 2 2 1 2 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 . 2 0 0 2 0 0 0 2 0 0 1 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 3 A N 0 0 152 0, 0.0 3,-0.1 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 83.9 108.6 25.4 179.4 2 4 A N - 0 0 68 1,-0.1 94,-0.1 93,-0.0 93,-0.1 -0.256 360.0 -87.3 -56.9 144.1 109.0 21.6 179.7 3 5 A A - 0 0 57 91,-0.3 93,-2.6 92,-0.1 2,-0.3 -0.099 56.5-168.2 -50.0 153.3 108.1 19.7 176.4 4 6 A M E -a 96 0A 2 41,-0.4 43,-3.0 91,-0.3 44,-0.3 -0.989 21.2-166.0-156.2 145.2 104.4 18.9 176.2 5 7 A S E -a 97 0A 0 91,-2.6 93,-2.6 -2,-0.3 2,-0.4 -0.749 18.5-134.6-118.8 167.1 101.9 16.9 174.4 6 8 A V E -ab 98 49A 0 42,-2.5 44,-3.0 -2,-0.3 2,-0.5 -0.983 6.0-158.2-131.3 141.7 98.1 17.0 174.3 7 9 A V E -ab 99 50A 0 91,-2.5 93,-3.0 -2,-0.4 2,-0.6 -0.965 9.5-162.0-114.6 125.4 95.3 14.4 174.5 8 10 A I E -ab 100 51A 0 42,-3.1 44,-2.9 -2,-0.5 2,-0.8 -0.946 8.6-149.5-112.0 119.6 91.9 15.3 173.2 9 11 A L E +ab 101 52A 17 91,-2.7 93,-2.3 -2,-0.6 94,-0.4 -0.784 37.4 147.0 -89.0 108.6 89.0 13.2 174.3 10 12 A A + 0 0 14 42,-2.6 44,-0.5 -2,-0.8 14,-0.2 -0.111 35.6 106.1-132.7 34.2 86.5 13.1 171.5 11 13 A A + 0 0 9 42,-0.3 44,-0.2 43,-0.1 42,-0.1 0.554 44.5 112.4 -97.0 -8.9 85.1 9.7 171.9 12 14 A G S S- 0 0 54 -3,-0.1 42,-0.2 42,-0.1 11,-0.1 -0.199 74.1-110.9 -61.7 158.1 81.7 10.3 173.4 13 15 A K - 0 0 182 1,-0.1 10,-0.5 9,-0.1 -1,-0.1 0.950 22.0-149.3 -56.9 -64.5 78.5 9.6 171.4 14 16 A G > + 0 0 21 8,-0.1 3,-1.4 9,-0.1 4,-0.3 0.782 34.6 158.4 92.1 27.9 76.9 13.0 170.5 15 17 A T G > + 0 0 72 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.826 62.6 61.4 -52.4 -44.7 73.3 11.6 170.5 16 18 A R G 3 S+ 0 0 159 1,-0.2 211,-0.5 209,-0.2 -1,-0.3 0.316 89.9 72.1 -70.8 8.5 71.5 14.9 171.1 17 19 A M G < S- 0 0 1 -3,-1.4 -1,-0.2 209,-0.2 -2,-0.2 0.657 85.7-150.6 -94.3 -20.6 72.9 16.4 167.8 18 20 A Y < + 0 0 170 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.1 0.937 49.7 130.7 47.9 57.3 70.7 14.1 165.7 19 21 A S - 0 0 47 -5,-0.3 -1,-0.2 2,-0.1 4,-0.1 -0.964 67.7-140.4-140.9 153.6 73.2 14.1 162.9 20 22 A D S S+ 0 0 162 -2,-0.3 -2,-0.0 -3,-0.1 -1,-0.0 0.281 88.0 87.6 -92.3 7.7 75.0 11.6 160.7 21 23 A L S S- 0 0 73 -4,-0.1 -2,-0.1 38,-0.0 5,-0.1 -0.933 95.6-104.8-109.4 128.4 78.1 13.8 161.2 22 24 A P > - 0 0 28 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.282 33.9-121.2 -50.5 131.1 80.3 13.1 164.2 23 25 A K G > S+ 0 0 18 -10,-0.5 3,-2.0 1,-0.3 10,-0.3 0.858 107.9 55.6 -43.5 -51.7 79.6 15.8 166.8 24 26 A V G 3 S+ 0 0 9 1,-0.3 10,-2.5 -14,-0.2 11,-0.4 0.526 101.1 61.6 -67.7 -1.5 83.1 17.1 167.2 25 27 A L G < S+ 0 0 14 -3,-2.3 -1,-0.3 7,-0.2 -2,-0.2 0.594 76.0 108.9 -96.4 -13.6 83.2 17.7 163.4 26 28 A H S < S- 0 0 15 -3,-2.0 7,-2.4 -4,-0.5 2,-0.1 -0.372 75.6-109.7 -64.1 137.5 80.3 20.2 163.5 27 29 A T E -I 32 0B 79 5,-0.3 2,-0.5 6,-0.1 5,-0.3 -0.411 26.3-168.4 -81.1 146.7 81.6 23.7 162.8 28 30 A L E > S-I 31 0B 0 3,-2.7 3,-0.9 -2,-0.1 203,-0.0 -0.988 93.4 -13.2-124.5 107.5 82.0 26.7 165.1 29 31 A A T 3 S- 0 0 7 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.887 131.6 -51.9 61.7 43.1 82.8 29.6 162.7 30 32 A G T 3 S+ 0 0 58 1,-0.2 2,-0.4 249,-0.1 -1,-0.2 0.587 121.6 99.8 73.4 8.1 83.5 27.3 159.7 31 33 A K E < S-I 28 0B 77 -3,-0.9 -3,-2.7 -5,-0.1 -1,-0.2 -0.995 81.2-109.6-128.2 128.3 86.0 25.2 161.7 32 34 A A E >> -I 27 0B 16 -2,-0.4 4,-1.6 -5,-0.3 3,-0.5 -0.243 31.3-117.4 -54.5 141.8 85.1 21.8 163.3 33 35 A M H >> S+ 0 0 0 -7,-2.4 4,-1.5 -10,-0.3 3,-0.5 0.923 115.6 50.3 -46.5 -49.7 84.9 22.1 167.1 34 36 A V H 3> S+ 0 0 0 -10,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.853 102.9 59.3 -63.5 -32.5 87.8 19.6 167.4 35 37 A Q H <> S+ 0 0 32 -3,-0.5 4,-3.4 -11,-0.4 -1,-0.2 0.887 102.2 55.8 -60.4 -36.6 89.9 21.5 165.0 36 38 A H H S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.4 0.928 113.3 45.1 -57.0 -47.4 96.9 22.6 171.3 42 44 A N H ><5S+ 0 0 75 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.858 110.8 50.4 -65.6 -40.2 99.4 23.3 168.5 43 45 A E H 3<5S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.4 58.9 -68.8 -28.1 99.7 27.1 169.1 44 46 A L T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.640 126.5-104.0 -73.6 -16.0 100.4 26.1 172.8 45 47 A G T < 5 + 0 0 47 -3,-0.8 -41,-0.4 -4,-0.4 -3,-0.2 0.623 53.0 175.7 103.1 16.2 103.3 24.1 171.5 46 48 A A < - 0 0 12 -5,-2.3 -41,-0.3 1,-0.2 -1,-0.2 -0.327 20.2-159.0 -58.5 125.9 102.1 20.6 171.8 47 49 A A S S+ 0 0 62 -43,-3.0 2,-0.3 1,-0.2 -42,-0.2 0.828 80.1 16.0 -75.0 -33.1 104.7 18.2 170.3 48 50 A H - 0 0 106 -44,-0.3 -42,-2.5 -7,-0.1 2,-0.5 -0.975 66.2-152.4-138.4 149.9 102.1 15.5 169.8 49 51 A V E -bc 6 69A 3 19,-0.5 21,-3.1 -2,-0.3 2,-0.6 -0.964 10.0-162.9-129.0 114.5 98.4 15.6 169.6 50 52 A H E -bc 7 70A 5 -44,-3.0 -42,-3.1 -2,-0.5 2,-0.7 -0.864 4.1-161.1 -94.8 117.8 96.6 12.4 170.6 51 53 A L E -bc 8 71A 0 19,-1.7 21,-2.5 -2,-0.6 2,-0.7 -0.896 4.9-155.2-104.4 114.8 93.0 12.3 169.5 52 54 A V E +bc 9 72A 0 -44,-2.9 -42,-2.6 -2,-0.7 2,-0.3 -0.800 23.3 173.4 -90.5 115.6 91.0 9.7 171.3 53 55 A Y E - c 0 73A 24 19,-1.8 21,-3.6 -2,-0.7 -42,-0.3 -0.839 29.9-160.0-123.7 156.6 88.0 8.6 169.3 54 56 A G S S- 0 0 8 -44,-0.5 2,-0.3 1,-0.4 3,-0.2 0.736 70.5 -22.9 -95.9 -94.5 85.2 6.0 169.5 55 57 A H S S+ 0 0 166 -44,-0.2 -1,-0.4 1,-0.2 5,-0.0 -0.839 108.4 63.2-121.9 166.3 83.8 5.4 166.0 56 58 A G > + 0 0 13 -2,-0.3 4,-3.2 -3,-0.1 5,-0.4 0.516 56.4 150.1 99.2 11.2 83.6 7.3 162.8 57 59 A G H > S+ 0 0 2 1,-0.3 4,-3.3 -3,-0.2 5,-0.2 0.824 71.8 53.2 -44.7 -32.3 87.3 7.1 162.8 58 60 A D H > S+ 0 0 121 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.940 110.7 41.0 -72.0 -49.6 86.9 7.2 159.0 59 61 A L H > S+ 0 0 92 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.975 122.0 45.1 -61.0 -50.1 84.8 10.3 158.8 60 62 A L H X S+ 0 0 5 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.899 114.0 47.0 -57.4 -49.9 87.1 11.9 161.5 61 63 A K H < S+ 0 0 76 -4,-3.3 -1,-0.2 -5,-0.4 -2,-0.2 0.823 114.5 48.1 -65.5 -32.1 90.3 10.7 159.9 62 64 A Q H >< S+ 0 0 121 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.969 114.6 44.6 -71.3 -53.5 89.2 12.0 156.5 63 65 A A H 3< S+ 0 0 57 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.903 121.0 39.1 -56.2 -46.5 88.1 15.3 157.8 64 66 A L T >< S+ 0 0 5 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.3 0.177 78.3 122.0 -94.8 21.1 91.2 15.9 159.9 65 67 A K T < + 0 0 136 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.699 66.1 62.5 -55.4 -26.4 93.6 14.4 157.4 66 68 A D T 3 S+ 0 0 141 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.287 91.4 85.0 -86.1 11.9 95.7 17.6 157.2 67 69 A D S < S- 0 0 34 -3,-2.0 2,-1.7 2,-0.0 -3,-0.0 -0.893 79.9-128.4-115.0 144.2 96.7 17.3 160.8 68 70 A N + 0 0 168 -2,-0.4 -19,-0.5 2,-0.1 2,-0.3 -0.619 52.3 157.8 -89.0 79.5 99.5 15.3 162.4 69 71 A L E -c 49 0A 22 -2,-1.7 2,-0.8 -5,-0.2 -19,-0.2 -0.763 43.6-134.0-104.3 148.8 97.4 13.6 164.9 70 72 A N E -c 50 0A 55 -21,-3.1 -19,-1.7 -2,-0.3 2,-0.4 -0.905 28.8-137.2-102.1 108.5 98.1 10.4 166.7 71 73 A W E -c 51 0A 63 -2,-0.8 2,-0.5 -21,-0.2 -19,-0.2 -0.513 22.2-175.2 -73.1 125.2 94.9 8.4 166.5 72 74 A V E -c 52 0A 6 -21,-2.5 -19,-1.8 -2,-0.4 2,-0.3 -0.942 14.6-146.9-123.4 107.6 94.0 6.6 169.7 73 75 A L E -c 53 0A 87 -2,-0.5 2,-0.8 -21,-0.2 -19,-0.2 -0.559 5.6-160.5 -78.4 127.9 90.9 4.3 169.5 74 76 A Q - 0 0 7 -21,-3.6 9,-0.1 -2,-0.3 -1,-0.0 -0.897 10.3-162.9-107.6 97.6 88.7 4.1 172.6 75 77 A A S S+ 0 0 66 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.875 72.9 13.8 -45.4 -55.5 86.9 0.8 171.8 76 78 A E S S- 0 0 130 -3,-0.1 2,-1.6 3,-0.1 -1,-0.1 -0.924 85.6-112.2-123.6 152.4 84.1 1.3 174.3 77 79 A Q + 0 0 76 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.586 51.1 154.1 -89.6 82.8 83.2 4.5 176.2 78 80 A L - 0 0 71 -2,-1.6 116,-2.8 1,-0.3 4,-0.4 -0.210 61.5 -68.6-103.7 41.8 84.2 3.6 179.7 79 81 A G > - 0 0 13 114,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.080 54.5 -74.9 94.6 155.8 84.9 7.0 181.2 80 82 A T H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 115,-0.2 0.854 128.7 53.8 -55.5 -38.6 87.5 9.7 180.8 81 83 A G H > S+ 0 0 0 113,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 109.8 47.7 -64.5 -40.4 90.1 7.7 182.7 82 84 A H H > S+ 0 0 29 112,-1.2 4,-1.6 -4,-0.4 -2,-0.2 0.919 110.9 50.7 -65.3 -46.5 89.6 4.7 180.4 83 85 A A H X S+ 0 0 3 -4,-2.6 4,-1.1 111,-0.3 3,-0.3 0.913 112.4 48.4 -59.3 -39.6 89.9 7.0 177.4 84 86 A M H >X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 3,-0.5 0.910 103.8 60.1 -67.9 -39.4 93.1 8.4 178.9 85 87 A Q H 3< S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 101.6 54.5 -56.1 -34.2 94.4 4.9 179.6 86 88 A Q H 3< S+ 0 0 65 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.867 112.9 42.3 -68.6 -34.1 94.3 4.1 175.9 87 89 A A H X< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.5 4,-0.3 0.781 93.4 86.0 -81.1 -28.2 96.4 7.2 175.2 88 90 A A G >< S+ 0 0 11 -4,-2.3 3,-3.1 1,-0.3 -1,-0.2 0.828 75.8 65.1 -40.8 -54.3 98.9 6.6 178.1 89 91 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.705 104.4 52.2 -46.2 -19.9 101.3 4.2 176.2 90 92 A F G < S+ 0 0 104 -3,-2.3 -2,-0.2 -4,-0.1 2,-0.2 0.523 83.2 101.5 -96.8 -9.9 102.0 7.2 174.0 91 93 A F S < S- 0 0 3 -3,-3.1 2,-0.4 -4,-0.3 6,-0.1 -0.533 70.1-132.1 -75.3 143.4 102.8 9.8 176.7 92 94 A A > - 0 0 36 -2,-0.2 3,-1.7 4,-0.1 83,-0.4 -0.806 7.4-135.4 -95.8 138.3 106.6 10.4 177.1 93 95 A D T 3 S+ 0 0 81 -2,-0.4 83,-0.6 1,-0.3 84,-0.2 0.729 104.5 60.4 -63.7 -18.6 107.9 10.4 180.6 94 96 A D T 3 S+ 0 0 131 81,-0.1 -91,-0.3 80,-0.1 2,-0.3 0.328 100.7 63.6 -91.0 6.9 109.9 13.5 179.8 95 97 A E S < S- 0 0 9 -3,-1.7 80,-3.2 -93,-0.1 2,-0.3 -0.859 80.5-110.4-130.7 163.0 106.9 15.7 178.9 96 98 A D E -aD 4 174A 7 -93,-2.6 -91,-2.6 -2,-0.3 2,-0.6 -0.669 27.8-144.5 -87.1 147.3 103.8 17.2 180.4 97 99 A I E -aD 5 173A 0 76,-3.8 76,-1.6 -2,-0.3 2,-0.4 -0.965 13.4-166.9-115.1 112.0 100.5 15.7 179.2 98 100 A L E -aD 6 172A 0 -93,-2.6 -91,-2.5 -2,-0.6 2,-0.4 -0.869 10.1-149.6 -97.7 133.6 97.7 18.3 178.9 99 101 A M E +aD 7 171A 1 72,-3.3 72,-1.1 -2,-0.4 2,-0.3 -0.895 20.7 169.2-110.4 133.3 94.2 16.9 178.5 100 102 A L E -a 8 0A 0 -93,-3.0 -91,-2.7 -2,-0.4 2,-0.4 -0.889 31.1-115.9-134.6 164.1 91.3 18.6 176.6 101 103 A Y E > -a 9 0A 54 -2,-0.3 3,-0.9 -93,-0.2 -91,-0.2 -0.794 13.0-140.4-102.5 143.5 87.9 17.7 175.3 102 104 A G T 3 S+ 0 0 0 -93,-2.3 -65,-0.2 -2,-0.4 -92,-0.2 0.593 102.0 54.0 -77.6 -8.4 87.1 17.7 171.6 103 105 A D T 3 S+ 0 0 33 -94,-0.4 121,-3.0 1,-0.1 -1,-0.2 0.005 86.1 81.3-113.8 26.4 83.7 19.3 172.3 104 106 A V X + 0 0 6 -3,-0.9 3,-1.0 119,-0.3 119,-0.2 -0.765 58.1 172.5-127.3 75.5 84.9 22.4 174.3 105 107 A P T 3 + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 115,-0.1 0.681 61.4 58.9 -64.0 -23.8 85.8 24.6 171.3 106 108 A L T 3 + 0 0 13 116,-0.4 115,-0.1 113,-0.4 2,-0.1 0.290 62.4 134.6 -97.2 13.3 86.6 27.9 172.9 107 109 A I < - 0 0 10 -3,-1.0 2,-0.3 115,-0.1 114,-0.1 -0.400 51.9-134.8 -59.4 130.8 89.4 27.0 175.4 108 110 A S > - 0 0 16 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.667 13.0-132.2 -96.1 149.7 92.0 29.7 174.9 109 111 A V H > S+ 0 0 46 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.822 108.7 60.0 -62.8 -29.6 95.8 29.3 174.5 110 112 A E H > S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 107.9 42.9 -63.1 -47.6 96.1 32.1 177.2 111 113 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.893 114.1 50.7 -67.7 -39.8 94.3 30.1 179.8 112 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 109.3 51.5 -65.8 -38.0 96.0 26.9 178.9 113 115 A Q H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.913 108.4 50.8 -65.8 -39.5 99.4 28.6 179.2 114 116 A R H X S+ 0 0 80 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.869 109.4 52.9 -64.5 -31.6 98.4 29.9 182.6 115 117 A L H >X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 3,-0.5 0.939 107.6 49.8 -66.9 -48.0 97.5 26.3 183.5 116 118 A R H >< S+ 0 0 22 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.912 110.7 50.8 -54.8 -45.9 100.9 25.1 182.4 117 119 A D H 3< S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.752 109.8 50.1 -64.3 -28.3 102.6 27.8 184.5 118 120 A A H << S+ 0 0 27 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.589 81.2 108.1 -89.0 -10.6 100.6 26.8 187.6 119 121 A K << - 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