==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-SEP-04 1XF8 . COMPND 2 MOLECULE: FEMX; . SOURCE 2 ORGANISM_SCIENTIFIC: WEISSELLA VIRIDESCENS; . AUTHOR S.BIARROTTE-SORIN,A.P.MAILLARD,M.ARTHUR,C.MAYER . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 1 0 2 1 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 1 2 2 0 1 0 3 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 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 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 1 A P 0 0 53 0, 0.0 44,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.4 -9.3 -17.0 -0.6 2 2 A V B -A 44 0A 88 42,-0.2 2,-0.3 94,-0.0 42,-0.3 -0.836 360.0-116.7 -99.6 134.5 -5.6 -17.2 -0.2 3 3 A L - 0 0 12 40,-2.9 2,-0.9 -2,-0.4 40,-0.4 -0.540 14.5-143.8 -75.6 128.0 -3.5 -14.6 -2.0 4 4 A N > - 0 0 89 -2,-0.3 3,-1.6 1,-0.2 7,-0.3 -0.824 9.1-164.0 -90.4 109.0 -1.1 -15.8 -4.7 5 5 A L T 3 S+ 0 0 76 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.673 85.7 65.7 -68.0 -16.6 1.9 -13.4 -4.4 6 6 A N T 3 S+ 0 0 145 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.473 86.0 83.7 -83.3 -1.7 3.1 -14.5 -7.8 7 7 A D <> - 0 0 66 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 -0.871 62.7-165.6-106.8 103.1 0.0 -12.9 -9.4 8 8 A P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.876 88.2 51.2 -52.8 -43.9 0.6 -9.1 -9.9 9 9 A Q H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.913 111.8 45.5 -63.8 -43.9 -3.1 -8.4 -10.5 10 10 A A H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 113.4 51.3 -66.1 -40.5 -4.3 -10.2 -7.3 11 11 A V H X S+ 0 0 32 -4,-2.5 4,-2.9 -7,-0.3 -2,-0.2 0.920 109.1 49.9 -62.2 -43.9 -1.5 -8.5 -5.3 12 12 A E H X S+ 0 0 76 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.905 110.6 49.9 -63.2 -40.2 -2.5 -5.1 -6.6 13 13 A R H X S+ 0 0 96 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.912 112.2 48.0 -62.7 -43.8 -6.2 -5.8 -5.7 14 14 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.930 112.7 49.0 -61.6 -47.3 -5.1 -6.9 -2.2 15 15 A E H X S+ 0 0 10 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.899 107.9 53.0 -60.3 -44.3 -2.9 -3.8 -1.8 16 16 A E H X S+ 0 0 87 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.833 108.5 50.7 -64.4 -31.5 -5.6 -1.4 -2.9 17 17 A F H X S+ 0 0 35 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.925 113.9 45.1 -69.7 -43.6 -8.0 -2.8 -0.4 18 18 A M H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.954 114.2 46.7 -63.2 -52.7 -5.4 -2.4 2.4 19 19 A R H 3< S+ 0 0 122 -4,-3.1 230,-0.3 1,-0.2 -1,-0.2 0.827 118.0 42.7 -60.1 -35.3 -4.3 1.1 1.4 20 20 A Q H 3< S+ 0 0 152 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.548 89.4 103.2 -91.5 -8.8 -7.9 2.4 1.1 21 21 A S X< - 0 0 10 -4,-1.0 3,-2.2 -3,-0.6 229,-0.1 -0.546 69.0-138.9 -78.7 136.4 -9.4 0.8 4.2 22 22 A P T 3 S+ 0 0 78 0, 0.0 228,-0.3 0, 0.0 -1,-0.1 0.615 109.3 54.8 -67.5 -6.3 -10.1 3.0 7.2 23 23 A Y T 3 S+ 0 0 109 226,-0.1 56,-0.2 -5,-0.1 87,-0.1 0.300 82.1 136.9-104.5 5.4 -8.8 -0.1 9.1 24 24 A G < - 0 0 6 -3,-2.2 226,-0.4 -6,-0.1 2,-0.4 -0.167 33.1-168.5 -56.5 145.1 -5.5 -0.2 7.2 25 25 A Q >> - 0 0 23 1,-0.1 3,-1.7 224,-0.1 4,-0.6 -0.998 26.1-137.9-135.6 137.5 -2.3 -0.9 9.0 26 26 A V G >4 S+ 0 0 5 -2,-0.4 3,-1.2 1,-0.3 6,-0.4 0.888 107.6 58.8 -63.5 -35.1 1.2 -0.5 7.6 27 27 A T G 34 S+ 0 0 5 1,-0.3 -1,-0.3 4,-0.1 47,-0.2 0.489 106.3 50.1 -72.9 0.4 2.2 -3.7 9.4 28 28 A Q G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 47,-0.1 -2,-0.2 0.445 88.1 103.4-111.1 -8.8 -0.6 -5.4 7.4 29 29 A D S X< S- 0 0 13 -3,-1.2 3,-1.3 -4,-0.6 4,-0.4 -0.354 85.2-115.6 -70.4 156.6 0.6 -4.1 4.0 30 30 A L T >> S+ 0 0 22 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.701 112.5 71.2 -68.7 -16.5 2.4 -6.5 1.8 31 31 A G H >> S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.807 84.7 69.3 -68.1 -25.5 5.5 -4.3 2.1 32 32 A W H <> S+ 0 0 14 -3,-1.3 4,-2.6 -6,-0.4 3,-0.4 0.840 90.3 59.0 -61.9 -35.0 5.8 -5.5 5.7 33 33 A A H <4 S+ 0 0 25 -3,-0.6 6,-0.3 -4,-0.4 -1,-0.3 0.819 101.9 55.8 -63.0 -30.1 6.8 -9.0 4.6 34 34 A K H X< S+ 0 0 126 -3,-0.8 3,-0.6 -4,-0.6 -1,-0.2 0.799 108.4 47.4 -72.0 -29.6 9.7 -7.4 2.8 35 35 A V H 3< S+ 0 0 0 -4,-1.0 2,-1.6 -3,-0.4 -2,-0.2 0.957 114.5 45.0 -74.1 -52.8 10.8 -5.8 6.0 36 36 A K T >< S+ 0 0 35 -4,-2.6 3,-2.3 1,-0.2 -1,-0.3 -0.397 74.4 157.6 -86.6 58.4 10.5 -9.0 8.0 37 37 A N T < + 0 0 98 -2,-1.6 -1,-0.2 -3,-0.6 -3,-0.1 0.547 64.9 65.3 -63.6 -6.3 12.2 -11.0 5.2 38 38 A N T 3 S+ 0 0 119 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.501 92.9 74.5 -94.0 -3.2 13.1 -13.7 7.7 39 39 A W S < S- 0 0 74 -3,-2.3 23,-0.2 -6,-0.3 21,-0.0 -0.703 85.3-113.1-105.9 159.4 9.4 -14.6 8.2 40 40 A E E - B 0 61A 74 21,-2.2 21,-2.8 -2,-0.2 2,-0.3 -0.823 28.9-138.5 -96.9 123.7 7.1 -16.6 5.9 41 41 A P E + B 0 60A 47 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.630 26.1 169.0 -86.9 134.3 4.2 -14.6 4.4 42 42 A V E - B 0 59A 14 17,-2.0 17,-2.6 -2,-0.3 2,-0.4 -0.961 12.4-174.6-140.9 118.2 0.7 -16.1 4.1 43 43 A D E + B 0 58A 6 -40,-0.4 -40,-2.9 -2,-0.4 2,-0.3 -0.951 5.6 174.9-124.4 139.0 -2.1 -13.8 3.2 44 44 A V E +AB 2 57A 0 13,-2.1 13,-2.4 -2,-0.4 2,-0.3 -0.892 1.9 179.1-134.7 164.5 -5.9 -14.3 2.9 45 45 A Y E - B 0 56A 25 -44,-2.4 2,-0.3 -2,-0.3 11,-0.2 -0.970 19.9-128.3-158.3 167.8 -9.0 -12.3 2.3 46 46 A L E - B 0 55A 12 9,-2.5 8,-2.1 -2,-0.3 9,-1.1 -0.899 17.5-150.9-123.2 153.1 -12.8 -12.5 1.9 47 47 A E E - B 0 53A 65 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.830 10.5-131.1-121.0 159.4 -15.0 -11.2 -0.8 48 48 A D > - 0 0 60 4,-1.9 3,-1.1 -2,-0.3 -1,-0.1 -0.179 48.7 -77.4 -94.6-167.4 -18.6 -10.0 -0.8 49 49 A D T 3 S+ 0 0 163 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.764 134.0 53.7 -64.1 -23.9 -21.5 -11.0 -3.2 50 50 A Q T 3 S- 0 0 159 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.578 116.5-112.4 -85.5 -14.0 -19.9 -8.6 -5.7 51 51 A G S < S+ 0 0 25 -3,-1.1 2,-0.3 1,-0.4 -2,-0.1 0.620 72.7 138.0 89.4 11.8 -16.4 -10.2 -5.5 52 52 A A - 0 0 44 1,-0.1 -4,-1.9 2,-0.0 -1,-0.4 -0.726 63.0-106.0 -90.6 141.5 -15.0 -7.1 -3.9 53 53 A I E +B 47 0A 21 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.511 42.6 168.1 -69.4 131.0 -12.6 -7.6 -1.1 54 54 A I E + 0 0 56 -8,-2.1 2,-0.3 1,-0.3 -7,-0.2 0.426 64.4 20.4-120.9 -7.1 -14.3 -6.8 2.3 55 55 A A E -B 46 0A 0 -9,-1.1 -9,-2.5 24,-0.1 -1,-0.3 -0.944 61.5-179.4-164.2 141.6 -11.7 -8.2 4.7 56 56 A A E -BC 45 78A 0 22,-1.4 22,-3.3 -2,-0.3 2,-0.3 -0.981 10.7-166.8-146.0 156.5 -8.0 -9.2 4.7 57 57 A M E -B 44 0A 0 -13,-2.4 -13,-2.1 -2,-0.3 2,-0.7 -0.925 7.7-159.1-148.0 117.9 -5.3 -10.6 7.0 58 58 A S E -B 43 0A 9 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.873 19.8-167.7 -99.4 115.4 -1.5 -10.6 6.3 59 59 A M E -B 42 0A 0 -17,-2.6 -17,-2.0 -2,-0.7 2,-0.4 -0.739 13.5-160.7-105.7 154.3 0.2 -13.3 8.3 60 60 A L E -BD 41 72A 16 12,-1.7 12,-2.4 -2,-0.3 2,-0.5 -0.999 13.3-146.9-133.3 125.5 3.9 -13.9 9.0 61 61 A L E -BD 40 71A 2 -21,-2.8 -21,-2.2 -2,-0.4 2,-0.3 -0.841 15.7-171.8 -99.7 125.7 5.1 -17.3 10.2 62 62 A G E - D 0 70A 8 8,-2.6 8,-2.8 -2,-0.5 -23,-0.1 -0.795 24.4-108.0-114.3 157.3 8.1 -17.5 12.5 63 63 A D - 0 0 127 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.385 32.6-170.9 -79.7 159.9 10.0 -20.5 13.8 64 64 A T - 0 0 34 2,-0.6 -1,-0.0 4,-0.3 5,-0.0 -0.827 44.3 -91.5-138.8 176.7 9.8 -21.9 17.4 65 65 A P S S+ 0 0 125 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.459 109.2 63.7 -72.1 0.4 11.7 -24.4 19.5 66 66 A T S S- 0 0 39 2,-0.4 -2,-0.6 262,-0.0 262,-0.0 -0.601 102.0 -98.2-117.0 179.6 9.1 -26.9 18.3 67 67 A D S S+ 0 0 142 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.0 0.451 97.9 88.5 -78.1 1.2 8.0 -28.4 15.0 68 68 A K S S- 0 0 48 34,-0.0 -2,-0.4 257,-0.0 -4,-0.3 -0.738 72.4-130.2-104.3 151.1 5.2 -25.8 14.8 69 69 A K E - e 0 102A 50 32,-2.8 34,-2.0 -2,-0.3 35,-0.7 -0.625 15.2-126.2 -95.6 154.9 5.2 -22.3 13.4 70 70 A F E -De 62 104A 24 -8,-2.8 -8,-2.6 -2,-0.2 2,-0.6 -0.909 22.8-156.6-102.2 113.8 4.0 -19.1 15.0 71 71 A A E +De 61 105A 0 33,-1.8 35,-2.9 -2,-0.7 2,-0.4 -0.844 16.9 178.3 -95.8 121.3 1.5 -17.3 12.8 72 72 A Y E -De 60 106A 19 -12,-2.4 -12,-1.7 -2,-0.6 2,-0.7 -0.982 23.7-169.0-131.1 127.5 1.2 -13.6 13.6 73 73 A A E > - e 0 107A 0 33,-2.9 3,-2.3 -2,-0.4 35,-0.9 -0.799 29.2-141.1-113.1 85.2 -0.9 -10.9 11.9 74 74 A S T 3 S- 0 0 8 -2,-0.7 -16,-0.1 1,-0.3 33,-0.1 -0.263 77.4 -18.0 -53.0 116.7 0.6 -7.7 13.4 75 75 A K T 3 S+ 0 0 5 1,-0.2 35,-0.4 33,-0.2 -1,-0.3 0.730 117.1 164.4 55.0 27.6 -2.2 -5.2 14.1 76 76 A G < + 0 0 0 -3,-2.3 -1,-0.2 33,-0.1 2,-0.1 -0.454 30.9 70.1-108.9-176.4 -4.5 -7.1 11.8 77 77 A P - 0 0 5 0, 0.0 2,-1.0 0, 0.0 -20,-0.2 0.667 61.3-129.8 -82.7 178.7 -6.8 -8.2 10.4 78 78 A V B S+C 56 0A 0 -22,-3.3 -22,-1.4 -2,-0.1 2,-0.3 -0.789 73.6 67.5 -97.4 97.1 -8.0 -5.3 8.2 79 79 A M S S- 0 0 9 -2,-1.0 2,-1.2 -56,-0.2 -24,-0.1 -0.930 102.4 -59.4 176.7-178.3 -11.8 -5.0 8.9 80 80 A D > - 0 0 63 -2,-0.3 3,-2.1 1,-0.2 7,-0.2 -0.756 48.9-165.0 -85.8 98.4 -14.1 -4.1 11.8 81 81 A V T 3 S+ 0 0 7 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.631 81.3 69.6 -62.4 -13.6 -12.9 -6.7 14.3 82 82 A T T 3 S+ 0 0 72 1,-0.2 2,-2.0 2,-0.1 -1,-0.3 0.643 77.7 83.4 -78.3 -13.2 -16.0 -6.1 16.5 83 83 A D <> + 0 0 74 -3,-2.1 4,-1.9 1,-0.2 3,-0.4 -0.631 66.7 175.3 -86.5 75.9 -18.0 -7.8 13.7 84 84 A V H > + 0 0 8 -2,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.772 66.5 59.1 -58.5 -34.2 -17.0 -11.1 15.2 85 85 A D H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 110.7 43.8 -64.2 -39.9 -19.1 -13.4 12.9 86 86 A L H > S+ 0 0 26 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.888 110.8 55.6 -69.5 -39.4 -17.2 -12.0 9.9 87 87 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.921 103.8 54.4 -58.3 -44.6 -14.0 -12.3 11.8 88 88 A D H X S+ 0 0 30 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.927 108.0 49.9 -55.1 -46.3 -14.6 -16.0 12.4 89 89 A R H X S+ 0 0 130 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.899 111.8 47.6 -59.3 -43.0 -15.0 -16.4 8.7 90 90 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.901 112.6 49.0 -66.0 -40.9 -11.8 -14.6 8.0 91 91 A V H X S+ 0 0 0 -4,-3.0 4,-3.3 2,-0.2 5,-0.2 0.894 106.0 56.6 -66.4 -40.2 -10.0 -16.6 10.6 92 92 A D H X S+ 0 0 84 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.929 108.9 47.3 -58.0 -42.3 -11.3 -19.9 9.2 93 93 A E H X S+ 0 0 48 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.902 112.1 50.5 -64.2 -39.6 -9.8 -18.9 5.8 94 94 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.949 110.1 49.5 -61.9 -49.4 -6.5 -18.0 7.6 95 95 A V H X>S+ 0 0 40 -4,-3.3 4,-0.8 1,-0.2 5,-0.7 0.889 109.0 52.3 -57.9 -42.5 -6.5 -21.4 9.4 96 96 A K H ><5S+ 0 0 127 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.949 110.0 48.6 -59.9 -48.0 -7.1 -23.2 6.1 97 97 A A H 3<5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.785 103.1 60.4 -63.1 -29.9 -4.2 -21.5 4.4 98 98 A L H ><5S- 0 0 0 -4,-1.8 3,-2.0 -5,-0.1 -1,-0.3 0.741 92.0-156.5 -69.9 -20.2 -1.9 -22.2 7.4 99 99 A D T <<5 - 0 0 131 -3,-1.1 -3,-0.1 -4,-0.8 -2,-0.1 0.810 61.6 -58.5 47.4 39.6 -2.6 -25.9 6.5 100 100 A G T 3 - 0 0 39 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.916 46.1-125.7-165.6 142.7 -13.8 -3.6 26.8 115 115 A D H > S+ 0 0 104 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.909 113.0 54.9 -58.3 -42.7 -15.2 -6.4 29.0 116 116 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 111.9 41.6 -57.2 -48.2 -18.0 -6.9 26.6 117 117 A F H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 113.6 52.9 -67.3 -42.8 -15.7 -7.4 23.6 118 118 A N H X S+ 0 0 16 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.895 111.5 47.1 -59.1 -41.1 -13.3 -9.5 25.6 119 119 A T H X S+ 0 0 64 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.929 109.7 51.5 -68.6 -45.9 -16.2 -11.8 26.6 120 120 A T H X S+ 0 0 39 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.900 110.1 51.1 -57.6 -42.1 -17.6 -12.1 23.1 121 121 A L H ><>S+ 0 0 0 -4,-2.4 5,-1.7 1,-0.2 3,-0.7 0.953 111.6 46.0 -61.3 -48.2 -14.2 -13.1 21.8 122 122 A Q H ><5S+ 0 0 95 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.893 108.6 57.1 -61.9 -38.4 -13.8 -15.8 24.5 123 123 A D H 3<5S+ 0 0 124 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.781 103.3 54.3 -63.5 -26.5 -17.3 -17.0 23.8 124 124 A H T <<5S- 0 0 69 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.317 127.7 -97.3 -90.0 7.8 -16.3 -17.5 20.1 125 125 A G T < 5S+ 0 0 56 -3,-1.9 198,-0.4 1,-0.3 -3,-0.2 0.293 79.5 132.4 98.8 -10.6 -13.4 -19.7 21.2 126 126 A Y < - 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0 0 53 2,-0.1 2,-2.8 -148,-0.1 -1,-0.3 -0.902 64.9-126.4-165.5 131.4 2.8 2.6 32.5 295 295 A E S S+ 0 0 108 -2,-0.3 2,-0.3 -3,-0.1 17,-0.0 -0.385 74.4 117.9 -75.4 64.6 0.8 5.8 32.7 296 296 A S S > S- 0 0 37 -2,-2.8 3,-1.9 1,-0.0 7,-0.3 -0.964 75.8-125.7-135.0 152.3 3.1 7.0 35.4 297 297 A T T 3 S+ 0 0 116 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.513 108.0 71.4 -72.9 -0.6 5.5 9.9 36.0 298 298 A D T 3 S+ 0 0 151 1,-0.1 2,-0.6 -4,-0.0 -1,-0.3 0.494 84.4 81.3 -89.7 -5.1 8.1 7.3 36.9 299 299 A D <> - 0 0 23 -3,-1.9 4,-2.5 -5,-0.2 5,-0.1 -0.906 64.9-160.9-105.8 116.5 8.2 6.4 33.2 300 300 A S H > S+ 0 0 99 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.753 93.9 54.5 -66.0 -25.8 10.4 8.6 31.0 301 301 A L H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.1 5,-0.3 0.930 109.6 45.7 -72.8 -46.1 8.6 7.4 27.9 302 302 A Y H > S+ 0 0 25 -8,-0.2 4,-2.8 -6,-0.2 -2,-0.2 0.936 111.4 54.4 -59.9 -46.8 5.2 8.3 29.3 303 303 A V H X S+ 0 0 68 -4,-2.5 4,-0.9 -7,-0.3 -2,-0.2 0.941 112.3 41.9 -51.7 -57.1 6.6 11.7 30.5 304 304 A F H >X S+ 0 0 44 -4,-1.9 3,-1.7 1,-0.2 4,-0.7 0.976 118.5 43.6 -56.2 -61.2 7.8 12.6 27.0 305 305 A K H >X S+ 0 0 17 -4,-2.4 4,-1.5 1,-0.3 3,-0.7 0.803 104.9 64.5 -58.8 -28.8 4.8 11.4 25.1 306 306 A H H 3< S+ 0 0 63 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.804 90.8 67.8 -65.6 -25.0 2.5 12.9 27.6 307 307 A V H << S+ 0 0 9 -3,-1.7 -1,-0.3 -4,-0.9 -2,-0.2 0.907 112.3 30.0 -59.0 -40.5 3.9 16.3 26.5 308 308 A F H << S+ 0 0 0 -3,-0.7 2,-0.4 -4,-0.7 -1,-0.2 0.572 121.9 51.3 -97.8 -10.3 2.2 15.7 23.1 309 309 A V < + 0 0 1 -4,-1.5 -1,-0.2 1,-0.1 -159,-0.1 -0.887 50.3 168.5-131.7 103.1 -0.8 13.6 24.2 310 310 A K + 0 0 89 -2,-0.4 -1,-0.1 -3,-0.1 -4,-0.1 0.738 56.9 90.2 -83.8 -23.8 -2.9 15.0 27.1 311 311 A D S S- 0 0 73 1,-0.1 3,-0.1 -162,-0.1 -162,-0.0 -0.298 95.0 -89.6 -68.7 159.8 -5.7 12.5 26.5 312 312 A A - 0 0 71 1,-0.1 -163,-0.3 -164,-0.1 -1,-0.1 -0.324 55.1 -89.4 -66.5 152.7 -5.5 9.2 28.4 313 313 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -165,-0.2 -0.300 41.1-112.1 -62.9 147.4 -3.7 6.4 26.6 314 314 A R E -I 147 0C 88 -167,-2.8 -167,-2.1 -3,-0.1 2,-0.6 -0.659 27.9-149.3 -79.9 138.1 -5.8 4.2 24.4 315 315 A E E -I 146 0C 48 -2,-0.3 -202,-2.8 -169,-0.2 -169,-0.2 -0.961 13.5-150.5-112.7 117.6 -6.0 0.7 25.8 316 316 A Y B -H 112 0B 15 -171,-2.2 -204,-0.2 -2,-0.6 -206,-0.1 -0.439 26.8-110.2 -87.9 161.0 -6.3 -2.0 23.1 317 317 A I - 0 0 0 -206,-2.5 2,-0.2 -208,-0.4 -188,-0.2 0.687 57.5-147.5 -60.7 -20.3 -8.0 -5.4 23.3 318 318 A G - 0 0 5 -209,-0.4 2,-0.4 -207,-0.2 -1,-0.2 -0.578 45.7 -4.0 91.0-150.9 -4.5 -7.0 23.2 319 319 A E E - G 0 129A 0 -190,-2.0 -190,-2.3 -2,-0.2 2,-0.6 -0.713 55.3-161.2 -88.8 129.4 -3.6 -10.3 21.7 320 320 A I E -FG 107 128A 0 -213,-2.3 -213,-1.9 -2,-0.4 2,-0.6 -0.948 12.9-163.0-109.8 114.0 -6.3 -12.5 20.2 321 321 A D E -FG 106 127A 0 -194,-3.1 -194,-2.6 -2,-0.6 2,-1.0 -0.890 17.3-161.6-109.7 121.7 -5.2 -16.1 19.9 322 322 A K E -F 105 0A 51 -217,-2.6 -217,-1.5 -2,-0.6 2,-0.4 -0.844 29.0-141.7 -93.5 100.1 -6.9 -18.8 17.7 323 323 A V E +F 104 0A 45 -2,-1.0 -219,-0.2 -198,-0.4 -220,-0.1 -0.525 35.0 162.1 -71.1 124.5 -5.4 -21.9 19.3 324 324 A L S S+ 0 0 54 -221,-2.1 -220,-0.2 -2,-0.4 -1,-0.2 0.776 74.1 32.7-107.9 -44.4 -4.6 -24.6 16.7 325 325 A D > - 0 0 33 -222,-2.4 4,-2.8 1,-0.1 -1,-0.2 -0.860 69.1-172.9-117.7 93.3 -2.2 -26.9 18.6 326 326 A P H > S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.807 80.4 51.8 -55.7 -38.5 -3.2 -26.8 22.3 327 327 A E H > S+ 0 0 136 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.960 115.7 39.8 -67.2 -49.9 -0.3 -28.8 23.7 328 328 A V H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.907 112.0 58.6 -65.5 -39.2 2.3 -26.6 22.0 329 329 A Y H X S+ 0 0 28 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.926 107.2 46.9 -54.5 -47.2 0.3 -23.5 22.8 330 330 A A H < S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 112.8 50.1 -64.7 -32.3 0.5 -24.3 26.5 331 331 A E H < S+ 0 0 100 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 122.1 30.8 -72.9 -41.1 4.2 -25.0 26.3 332 332 A L H < S+ 0 0 61 -4,-2.8 2,-0.4 1,-0.2 -2,-0.2 0.526 117.9 54.5 -97.3 -7.9 5.0 -21.7 24.5 333 333 A V < + 0 0 18 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.2 -0.961 57.6 149.5-135.9 119.5 2.4 -19.4 25.9 334 334 A K 0 0 102 -2,-0.4 -3,-0.0 1,-0.1 -4,-0.0 -0.848 360.0 360.0-135.6 170.5 1.6 -18.7 29.5 335 335 A D 0 0 122 -2,-0.3 -201,-1.7 -202,-0.1 -1,-0.1 0.952 360.0 360.0 -87.0 360.0 0.3 -15.7 31.5