==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-JAN-01 1HV9 . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.R.OLSEN,S.L.RODERICK . 897 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 239 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 5.9 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 . 6 0.7 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 0.1 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 . 106 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0 0 1 3 3 2 2 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 30 12 4 2 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 4 A N 0 0 178 0, 0.0 2,-0.4 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0-177.9 5.3 43.5 349.9 2 5 A A + 0 0 32 91,-0.3 93,-1.9 2,-0.0 2,-0.3 -0.876 360.0 163.2-112.9 146.5 1.9 43.7 351.6 3 6 A M E -a 95 0A 4 -2,-0.4 43,-3.2 41,-0.3 44,-0.4 -0.946 18.4-165.6-164.5 142.0 -0.7 40.9 351.9 4 7 A S E -a 96 0A 0 91,-2.7 93,-2.7 -2,-0.3 2,-0.4 -0.909 16.0-139.1-126.7 154.7 -3.7 39.9 353.7 5 8 A V E -ab 97 48A 0 42,-2.7 44,-3.4 -2,-0.3 2,-0.5 -0.900 6.0-159.9-118.0 144.3 -5.5 36.5 354.0 6 9 A V E -ab 98 49A 0 91,-2.5 93,-2.8 -2,-0.4 2,-0.6 -0.989 7.8-162.4-121.9 127.8 -9.1 35.6 353.9 7 10 A I E -ab 99 50A 0 42,-3.2 44,-2.9 -2,-0.5 2,-0.6 -0.948 10.4-146.1-115.7 118.3 -10.3 32.2 355.3 8 11 A L E +ab 100 51A 24 91,-2.3 93,-2.5 -2,-0.6 94,-0.3 -0.725 38.6 146.4 -82.5 117.8 -13.7 30.9 354.4 9 12 A A E + b 0 52A 14 42,-2.9 44,-0.6 -2,-0.6 14,-0.2 -0.035 39.7 98.2-141.6 32.0 -15.0 29.0 357.3 10 13 A A + 0 0 10 42,-0.3 42,-0.1 43,-0.1 2,-0.1 0.310 54.2 112.3-105.9 8.5 -18.7 29.7 357.1 11 14 A G S S- 0 0 58 1,-0.1 2,-0.3 42,-0.1 11,-0.2 -0.400 72.0-106.1 -81.0 159.9 -19.8 26.5 355.4 12 15 A K - 0 0 85 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.673 20.9-161.4 -86.6 136.9 -21.9 23.8 357.0 13 16 A G > + 0 0 23 -2,-0.3 3,-1.4 1,-0.2 5,-0.3 -0.337 32.6 148.2-113.3 53.3 -20.2 20.6 357.9 14 17 A T G > + 0 0 117 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.712 61.5 66.8 -59.0 -29.9 -23.2 18.2 358.2 15 18 A R G 3 S+ 0 0 154 209,-0.3 211,-0.5 1,-0.2 -1,-0.3 0.361 90.8 68.2 -77.1 10.2 -21.4 15.0 357.1 16 19 A M G < S- 0 0 2 -3,-1.4 -1,-0.2 209,-0.2 -2,-0.2 0.656 93.0-143.5 -96.9 -21.6 -19.4 15.2 360.3 17 20 A Y < + 0 0 194 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.1 0.969 52.3 137.2 56.0 55.6 -22.4 14.5 362.5 18 21 A S - 0 0 46 -5,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.898 63.4-145.8-134.1 160.7 -21.1 16.9 365.1 19 22 A D S S+ 0 0 171 -2,-0.3 -1,-0.0 -3,-0.1 -2,-0.0 0.132 85.2 81.5-106.2 16.4 -22.2 19.7 367.5 20 23 A L S S- 0 0 73 38,-0.0 5,-0.1 2,-0.0 -2,-0.1 -0.955 97.2 -92.5-122.6 139.5 -18.9 21.4 367.0 21 24 A P > - 0 0 29 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.222 36.3-124.3 -51.5 137.6 -18.0 23.6 364.0 22 25 A K G > S+ 0 0 23 1,-0.3 3,-1.5 -11,-0.2 10,-0.2 0.863 107.8 56.0 -50.8 -45.9 -16.3 21.6 361.3 23 26 A V G 3 S+ 0 0 10 1,-0.3 10,-2.4 -14,-0.2 11,-0.3 0.473 100.1 62.4 -71.4 0.5 -13.1 23.7 361.2 24 27 A L G < S+ 0 0 13 -3,-1.9 -1,-0.3 7,-0.2 2,-0.2 0.559 73.0 108.9 -99.1 -14.8 -12.6 23.2 364.9 25 28 A H S < S- 0 0 14 -3,-1.5 7,-2.0 -4,-0.5 8,-0.1 -0.494 73.8-119.9 -65.6 131.3 -12.2 19.4 364.6 26 29 A T E -I 31 0B 82 5,-0.3 2,-0.4 -2,-0.2 5,-0.3 -0.313 27.2-169.8 -80.3 156.2 -8.5 18.8 365.3 27 30 A L E > S-I 30 0B 0 3,-2.5 3,-0.7 -2,-0.1 203,-0.0 -0.969 82.3 -4.7-142.2 121.4 -5.7 17.2 363.3 28 31 A A T 3 S- 0 0 5 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.827 136.8 -47.9 62.8 33.1 -2.4 16.5 365.0 29 32 A G T 3 S+ 0 0 51 1,-0.1 2,-0.3 249,-0.1 -1,-0.2 0.611 122.6 81.7 86.7 11.4 -3.6 18.1 368.2 30 33 A K E < S-I 27 0B 68 -3,-0.7 -3,-2.5 -5,-0.0 -1,-0.1 -0.993 84.7 -86.1-154.5 146.4 -5.0 21.3 366.7 31 34 A A E >> -I 26 0B 15 -2,-0.3 3,-1.6 -5,-0.3 4,-1.4 -0.141 37.1-123.7 -48.7 132.6 -8.0 22.7 365.0 32 35 A M H >> S+ 0 0 0 -7,-2.0 4,-1.0 1,-0.3 3,-0.8 0.890 113.5 48.3 -41.5 -53.7 -8.1 22.3 361.2 33 36 A V H 3> S+ 0 0 0 -10,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.699 101.0 63.5 -66.2 -21.4 -8.5 26.1 360.8 34 37 A Q H <> S+ 0 0 33 -3,-1.6 4,-2.2 -11,-0.3 -1,-0.3 0.855 99.1 56.8 -70.9 -30.8 -5.6 26.8 363.2 35 38 A H H S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.6 0.928 113.7 39.4 -63.6 -46.5 -1.1 32.5 356.9 41 44 A N H <5S+ 0 0 51 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.837 114.1 54.6 -73.5 -32.0 0.9 34.1 359.7 42 45 A E H <5S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.761 105.7 54.0 -71.4 -23.9 4.0 32.1 358.7 43 46 A L H <5S- 0 0 18 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.672 124.2-105.7 -82.4 -18.5 3.5 33.5 355.1 44 47 A G T <5 + 0 0 50 -4,-0.6 -41,-0.3 -3,-0.4 -3,-0.2 0.557 52.5 175.8 106.1 9.7 3.5 37.0 356.5 45 48 A A < - 0 0 7 -5,-2.5 -41,-0.2 -6,-0.2 -1,-0.2 -0.167 20.6-155.7 -48.0 138.4 -0.1 37.8 356.2 46 49 A A S S+ 0 0 54 -43,-3.2 2,-0.3 1,-0.3 -42,-0.2 0.896 78.6 16.5 -83.9 -47.9 -0.8 41.3 357.7 47 50 A H - 0 0 99 -44,-0.4 -42,-2.7 -7,-0.0 2,-0.5 -0.919 66.2-153.6-125.0 151.5 -4.4 40.6 358.5 48 51 A V E -bc 5 68A 0 19,-2.7 21,-3.2 -2,-0.3 2,-0.7 -0.967 10.8-159.2-127.3 110.6 -6.3 37.4 358.6 49 52 A H E -bc 6 69A 4 -44,-3.4 -42,-3.2 -2,-0.5 2,-0.6 -0.833 3.4-160.0 -96.4 112.5 -10.0 37.7 357.9 50 53 A L E -bc 7 70A 1 19,-2.4 21,-3.5 -2,-0.7 2,-0.7 -0.814 2.9-160.4 -92.2 118.1 -12.0 34.8 359.2 51 54 A V E +bc 8 71A 0 -44,-2.9 -42,-2.9 -2,-0.6 2,-0.3 -0.899 22.8 168.3-101.6 116.2 -15.4 34.5 357.4 52 55 A Y E -bc 9 72A 36 19,-2.5 21,-2.5 -2,-0.7 -42,-0.3 -0.821 29.8-167.2-126.1 165.6 -17.8 32.5 359.5 53 56 A G - 0 0 15 -44,-0.6 2,-0.3 1,-0.5 3,-0.2 0.736 67.6 -6.4-115.6 -59.0 -21.5 31.7 359.6 54 57 A H S S+ 0 0 175 -43,-0.1 -1,-0.5 1,-0.1 5,-0.0 -0.838 107.1 50.6-136.2 174.5 -22.4 30.0 362.9 55 58 A G > + 0 0 14 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 0.735 62.5 149.6 67.5 20.2 -20.9 28.7 366.1 56 59 A G H > + 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.812 67.1 57.3 -54.4 -30.6 -19.1 32.0 366.2 57 60 A D H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 108.5 42.8 -64.8 -53.3 -19.1 31.6 369.9 58 61 A L H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.812 115.1 54.3 -63.1 -29.5 -17.3 28.3 369.9 59 62 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.954 108.6 43.6 -71.4 -51.0 -15.0 29.8 367.3 60 63 A K H < S+ 0 0 83 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 111.1 58.6 -62.6 -34.1 -13.9 32.9 369.1 61 64 A Q H < S+ 0 0 123 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.940 116.5 31.7 -59.2 -47.9 -13.5 30.8 372.2 62 65 A A H < S+ 0 0 60 -4,-1.6 2,-0.6 -5,-0.1 -2,-0.2 0.752 112.8 65.9 -83.5 -26.9 -11.0 28.5 370.5 63 66 A L < + 0 0 6 -4,-2.9 -1,-0.1 -5,-0.1 -29,-0.0 -0.872 48.4 154.7-105.1 118.9 -9.3 31.0 368.2 64 67 A K + 0 0 172 -2,-0.6 2,-0.3 -3,-0.0 -1,-0.1 -0.431 16.4 142.4-140.4 62.8 -7.3 33.8 369.7 65 68 A D > - 0 0 39 1,-0.1 3,-0.7 2,-0.0 -2,-0.0 -0.704 49.6-129.7 -98.6 154.1 -4.7 35.0 367.3 66 69 A D T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 -18,-0.1 0.932 102.0 52.4 -74.0 -48.3 -4.0 38.8 367.1 67 70 A N T 3 S+ 0 0 52 -20,-0.1 -19,-2.7 -22,-0.1 2,-0.6 0.223 84.1 129.1 -75.2 20.9 -4.2 39.6 363.4 68 71 A L E < -c 48 0A 22 -3,-0.7 2,-0.6 -21,-0.2 -19,-0.2 -0.675 36.0-175.8 -86.0 117.1 -7.7 37.9 363.4 69 72 A N E -c 49 0A 54 -21,-3.2 -19,-2.4 -2,-0.6 2,-0.5 -0.940 18.1-141.2-113.1 118.6 -10.6 39.9 361.9 70 73 A W E -c 50 0A 60 -2,-0.6 2,-0.5 -21,-0.2 -19,-0.2 -0.657 18.1-175.8 -85.4 124.7 -14.0 38.3 362.2 71 74 A V E -c 51 0A 8 -21,-3.5 -19,-2.5 -2,-0.5 2,-0.3 -0.974 15.0-145.0-122.4 119.8 -16.4 38.6 359.3 72 75 A L E -c 52 0A 88 -2,-0.5 2,-0.5 -21,-0.2 -19,-0.2 -0.627 12.5-171.0 -85.4 139.1 -19.9 37.2 359.6 73 76 A Q - 0 0 7 -21,-2.5 9,-0.1 -2,-0.3 -2,-0.0 -0.847 6.1-175.5-127.3 86.0 -21.6 35.7 356.5 74 77 A A S S+ 0 0 79 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.873 74.1 35.6 -52.8 -41.2 -25.2 35.3 357.9 75 78 A E S S- 0 0 116 -3,-0.1 2,-1.4 6,-0.1 -1,-0.1 -0.958 78.2-137.4-120.4 133.9 -26.2 33.6 354.7 76 79 A Q + 0 0 84 -2,-0.4 3,-0.1 1,-0.2 -64,-0.1 -0.671 40.2 153.3 -90.2 85.1 -24.1 31.2 352.7 77 80 A L - 0 0 58 -2,-1.4 116,-2.6 1,-0.4 -1,-0.2 0.179 66.4 -61.9 -96.8 14.9 -24.9 32.3 349.2 78 81 A G > - 0 0 13 114,-0.2 4,-1.9 1,-0.1 -1,-0.4 -0.407 53.4 -78.8 123.8 160.2 -21.6 31.2 347.7 79 82 A T H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 115,-0.2 0.840 126.8 53.8 -61.7 -37.0 -17.8 31.7 348.0 80 83 A G H > S+ 0 0 0 113,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.906 109.5 48.9 -65.0 -39.7 -18.0 34.9 345.9 81 84 A H H > S+ 0 0 15 112,-0.9 4,-1.0 1,-0.2 -2,-0.2 0.849 108.4 53.4 -66.9 -37.5 -20.7 36.2 348.3 82 85 A A H X S+ 0 0 3 -4,-1.9 4,-1.1 111,-0.3 3,-0.3 0.865 109.2 48.7 -66.0 -37.0 -18.5 35.4 351.3 83 86 A M H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.832 102.3 63.5 -71.6 -32.7 -15.6 37.3 349.8 84 87 A Q H < S+ 0 0 49 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 100.7 53.0 -59.1 -34.1 -17.9 40.2 349.2 85 88 A Q H < S+ 0 0 71 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.891 113.5 40.8 -69.4 -41.1 -18.4 40.5 352.9 86 89 A A H >< S+ 0 0 0 -4,-1.1 3,-2.2 1,-0.2 4,-0.3 0.731 93.5 87.9 -79.4 -22.3 -14.6 40.6 353.6 87 90 A A G >< S+ 0 0 12 -4,-2.2 3,-3.1 1,-0.3 -1,-0.2 0.844 73.8 68.3 -43.8 -49.0 -14.0 42.9 350.6 88 91 A P G 3 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.725 101.2 49.2 -46.1 -28.2 -14.6 46.2 352.6 89 92 A F G < S+ 0 0 107 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.377 84.3 113.1 -96.8 3.6 -11.4 45.5 354.6 90 93 A F < - 0 0 7 -3,-3.1 2,-0.5 -4,-0.3 6,-0.1 -0.496 64.6-131.3 -75.8 147.2 -9.2 44.9 351.6 91 94 A A > - 0 0 29 -2,-0.1 3,-2.9 1,-0.1 83,-0.6 -0.888 6.6-138.5-101.9 125.8 -6.4 47.4 351.0 92 95 A D T 3 S+ 0 0 98 -2,-0.5 83,-1.0 1,-0.3 84,-0.3 0.821 106.1 48.8 -49.0 -34.4 -6.1 48.7 347.4 93 96 A D T 3 S+ 0 0 122 81,-0.1 2,-0.3 80,-0.1 -91,-0.3 0.290 101.3 81.3 -92.6 10.1 -2.4 48.4 347.8 94 97 A E S < S- 0 0 10 -3,-2.9 80,-2.9 -93,-0.1 -91,-0.2 -0.873 75.7-119.1-120.9 153.3 -2.2 44.9 349.2 95 98 A D E -aD 3 173A 13 -93,-1.9 -91,-2.7 -2,-0.3 2,-0.5 -0.582 25.4-147.3 -81.6 146.8 -2.4 41.4 347.8 96 99 A I E -aD 4 172A 1 76,-3.6 76,-1.7 -2,-0.2 2,-0.5 -0.973 9.5-165.9-122.1 119.2 -5.3 39.2 349.0 97 100 A L E -aD 5 171A 1 -93,-2.7 -91,-2.5 -2,-0.5 2,-0.4 -0.896 9.9-150.3-105.1 129.9 -4.8 35.5 349.3 98 101 A M E +aD 6 170A 1 72,-2.6 72,-0.6 -2,-0.5 2,-0.3 -0.840 20.8 171.1-102.7 133.8 -7.9 33.3 349.7 99 102 A L E -a 7 0A 2 -93,-2.8 -91,-2.3 -2,-0.4 2,-0.4 -0.894 29.5-119.4-136.9 166.4 -7.9 30.1 351.6 100 103 A Y E > -a 8 0A 60 -2,-0.3 3,-1.0 -93,-0.2 -91,-0.2 -0.871 11.6-143.6-107.0 140.2 -10.3 27.4 352.9 101 104 A G T 3 S+ 0 0 0 -93,-2.5 -65,-0.2 -2,-0.4 -66,-0.1 0.588 100.7 54.8 -78.1 -7.9 -10.6 26.6 356.6 102 105 A D T 3 S+ 0 0 31 -94,-0.3 121,-2.5 1,-0.2 -1,-0.2 0.086 87.8 79.1-112.6 23.7 -11.2 23.0 355.8 103 106 A V X + 0 0 10 -3,-1.0 3,-0.7 119,-0.2 -3,-0.2 -0.723 56.3 166.0-128.9 77.3 -8.0 22.4 353.7 104 107 A P T 3 + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 118,-0.1 0.670 60.6 60.1 -67.4 -29.0 -5.4 22.1 356.6 105 108 A L T 3 + 0 0 24 116,-0.4 115,-0.1 113,-0.4 114,-0.1 0.516 64.3 130.1 -87.4 -4.5 -2.3 20.7 354.8 106 109 A I < - 0 0 10 -3,-0.7 2,-0.2 115,-0.1 114,-0.1 -0.198 55.3-131.2 -47.4 135.4 -1.7 23.5 352.3 107 110 A S > - 0 0 25 1,-0.1 4,-1.8 -68,-0.0 5,-0.1 -0.654 9.9-133.0 -98.9 153.9 2.0 24.4 352.6 108 111 A V H > S+ 0 0 30 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 107.3 59.3 -66.9 -38.1 3.7 27.7 352.9 109 112 A E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 108.5 44.2 -57.5 -45.6 6.2 26.8 350.2 110 113 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 113.9 50.5 -67.6 -34.8 3.4 26.3 347.7 111 114 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.831 109.2 51.4 -71.3 -30.8 1.7 29.5 348.9 112 115 A Q H X S+ 0 0 66 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.875 108.9 51.9 -71.0 -37.7 5.0 31.3 348.5 113 116 A R H X S+ 0 0 94 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.939 109.7 47.8 -62.0 -49.6 5.3 29.9 344.9 114 117 A L H >X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 3,-0.8 0.912 109.0 57.5 -57.4 -43.1 1.8 31.2 344.1 115 118 A R H >< S+ 0 0 49 -4,-2.0 3,-0.6 1,-0.3 -2,-0.2 0.950 107.3 44.3 -51.3 -58.8 2.7 34.5 345.6 116 119 A D H 3< S+ 0 0 121 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.618 111.4 56.5 -66.4 -12.6 5.7 35.1 343.3 117 120 A A H << S+ 0 0 33 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.789 72.1 114.1 -90.9 -29.4 3.7 33.9 340.2 118 121 A K << - 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