==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-DEC-02 1NE9 . COMPND 2 MOLECULE: FEMX; . SOURCE 2 ORGANISM_SCIENTIFIC: WEISSELLA VIRIDESCENS; . AUTHOR S.BIARROTTE-SORIN,A.P.MAILLARD,J.DELETTRE,W.SOUGAKOFF, . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 73.1 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 . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.0 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 56 0, 0.0 44,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 169.2 6.8 -8.1 -2.6 2 2 A V B -A 44 0A 73 42,-0.2 2,-0.3 94,-0.0 42,-0.3 -0.843 360.0-118.9-101.9 134.2 10.6 -8.1 -2.6 3 3 A L - 0 0 12 40,-3.1 2,-0.9 -2,-0.4 40,-0.4 -0.528 15.0-140.8 -74.1 131.1 12.4 -5.3 -4.4 4 4 A N > - 0 0 86 -2,-0.3 3,-2.2 1,-0.2 7,-0.3 -0.831 10.4-162.0 -91.5 103.7 14.7 -6.4 -7.2 5 5 A L T 3 S+ 0 0 76 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.650 88.5 60.4 -62.9 -13.7 17.7 -4.1 -6.7 6 6 A N T 3 S+ 0 0 145 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.423 84.6 86.9 -93.6 0.4 18.7 -4.9 -10.3 7 7 A D <> - 0 0 53 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 -0.850 61.5-166.0-102.5 98.5 15.5 -3.5 -11.7 8 8 A P H > S+ 0 0 105 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.843 88.7 51.7 -51.1 -39.0 16.0 0.2 -12.3 9 9 A Q H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.936 112.0 44.6 -64.4 -50.1 12.3 0.8 -12.7 10 10 A A H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 114.2 50.4 -61.9 -43.4 11.4 -1.0 -9.5 11 11 A V H X S+ 0 0 32 -4,-2.9 4,-2.9 -7,-0.3 -2,-0.2 0.904 109.1 50.7 -63.3 -42.2 14.1 0.8 -7.6 12 12 A E H X S+ 0 0 98 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.905 111.3 48.3 -63.5 -40.3 13.1 4.2 -8.9 13 13 A R H X S+ 0 0 86 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.902 112.9 48.4 -66.7 -40.0 9.5 3.5 -7.8 14 14 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.937 114.0 46.4 -64.0 -47.4 10.6 2.3 -4.4 15 15 A E H X S+ 0 0 7 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.885 109.1 54.4 -62.7 -41.2 12.9 5.4 -4.0 16 16 A E H X S+ 0 0 79 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.906 109.0 49.4 -60.4 -41.5 10.1 7.8 -5.1 17 17 A F H X S+ 0 0 36 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.953 114.2 44.8 -61.8 -50.0 7.9 6.3 -2.4 18 18 A M H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.921 114.3 47.4 -60.4 -48.1 10.5 6.7 0.2 19 19 A R H < S+ 0 0 112 -4,-3.2 230,-0.3 1,-0.2 -1,-0.2 0.795 118.4 40.9 -65.6 -30.5 11.6 10.2 -0.7 20 20 A Q H < S+ 0 0 132 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.616 90.6 104.2 -94.4 -15.5 8.0 11.5 -0.9 21 21 A S >< - 0 0 11 -4,-1.6 3,-1.8 -3,-0.2 229,-0.1 -0.432 69.3-139.0 -71.8 139.4 6.5 9.8 2.1 22 22 A P T 3 S+ 0 0 77 0, 0.0 228,-0.5 0, 0.0 -1,-0.2 0.672 109.7 54.4 -68.7 -11.7 5.9 11.8 5.2 23 23 A Y T 3 S+ 0 0 106 226,-0.1 56,-0.2 2,-0.1 87,-0.1 0.317 82.2 136.5-100.6 5.4 7.3 8.8 7.0 24 24 A G < - 0 0 3 -3,-1.8 226,-0.4 -7,-0.1 2,-0.4 -0.199 32.3-170.5 -57.8 143.4 10.5 8.7 4.9 25 25 A Q >> - 0 0 18 224,-0.1 3,-1.9 1,-0.1 4,-0.6 -0.999 28.6-135.7-136.3 137.8 13.8 8.1 6.7 26 26 A V G >4 S+ 0 0 3 -2,-0.4 3,-1.1 1,-0.3 6,-0.3 0.868 108.8 58.1 -61.7 -33.5 17.3 8.4 5.3 27 27 A T G 34 S+ 0 0 6 1,-0.3 -1,-0.3 4,-0.1 47,-0.3 0.514 106.2 50.0 -74.5 -2.8 18.2 5.1 7.0 28 28 A Q G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 47,-0.1 -2,-0.2 0.429 88.1 105.7-108.7 -6.3 15.4 3.5 5.0 29 29 A D S X< S- 0 0 13 -3,-1.1 3,-1.9 -4,-0.6 4,-0.5 -0.427 84.1-119.5 -71.0 150.2 16.6 5.0 1.7 30 30 A L T >> S+ 0 0 17 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.734 112.1 70.4 -64.2 -17.7 18.3 2.5 -0.6 31 31 A G H >> S+ 0 0 3 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.742 84.0 68.8 -70.2 -20.9 21.4 4.7 -0.3 32 32 A W H <> S+ 0 0 16 -3,-1.9 4,-2.8 -6,-0.3 -1,-0.2 0.844 91.0 60.0 -66.8 -31.2 21.8 3.6 3.3 33 33 A A H <4 S+ 0 0 24 -3,-0.8 6,-0.3 -4,-0.5 -1,-0.2 0.807 101.2 54.9 -65.3 -28.8 22.7 0.1 2.1 34 34 A K H X< S+ 0 0 126 -3,-0.6 3,-0.6 -4,-0.6 -1,-0.2 0.834 109.2 47.3 -72.2 -32.9 25.6 1.6 0.3 35 35 A V H 3< S+ 0 0 0 -4,-1.1 2,-1.5 1,-0.3 -2,-0.2 0.949 113.9 46.3 -71.1 -49.4 26.8 3.2 3.5 36 36 A K T >< S+ 0 0 38 -4,-2.8 3,-2.1 1,-0.2 -1,-0.3 -0.434 75.2 158.2 -90.1 60.8 26.3 -0.1 5.4 37 37 A N T < + 0 0 83 -2,-1.5 -1,-0.2 -3,-0.6 -2,-0.1 0.572 65.0 61.2 -64.3 -10.6 28.1 -2.0 2.6 38 38 A N T 3 S+ 0 0 140 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.392 94.0 77.3 -97.1 2.3 29.0 -4.8 4.9 39 39 A W S < S- 0 0 82 -3,-2.1 23,-0.2 -6,-0.3 21,-0.0 -0.769 85.5-116.4-107.2 156.5 25.4 -5.7 5.6 40 40 A E E - B 0 61A 78 21,-2.5 21,-2.9 -2,-0.3 2,-0.3 -0.819 27.3-136.8 -96.2 124.9 23.1 -7.5 3.2 41 41 A P E + B 0 60A 45 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.637 26.6 170.3 -86.0 137.6 20.2 -5.5 1.9 42 42 A V E - B 0 59A 11 17,-2.2 17,-2.4 -2,-0.3 2,-0.4 -0.927 12.6-173.6-142.1 111.9 16.7 -7.1 1.6 43 43 A D E + B 0 58A 5 -40,-0.4 -40,-3.1 -2,-0.4 2,-0.3 -0.923 4.9 176.8-116.8 135.6 13.9 -4.6 0.8 44 44 A V E -AB 2 57A 0 13,-2.4 13,-2.8 -2,-0.4 2,-0.3 -0.874 2.1-178.6-130.8 164.6 10.2 -5.3 0.6 45 45 A Y E - B 0 56A 27 -44,-2.3 2,-0.3 -2,-0.3 11,-0.3 -0.965 18.9-133.8-155.6 166.9 7.0 -3.3 0.1 46 46 A L E - B 0 55A 9 9,-2.7 8,-2.6 -2,-0.3 9,-1.4 -0.934 18.0-147.3-124.4 150.1 3.3 -3.5 -0.1 47 47 A E E - B 0 53A 64 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.842 12.2-128.5-116.6 154.8 1.0 -2.0 -2.8 48 48 A D > - 0 0 62 4,-2.6 3,-2.0 -2,-0.3 -1,-0.1 -0.166 47.6 -79.3 -87.3-171.8 -2.5 -0.7 -2.4 49 49 A D T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.656 133.2 56.1 -65.6 -13.6 -5.5 -1.7 -4.5 50 50 A Q T 3 S- 0 0 160 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.389 118.5-111.5 -96.2 1.1 -4.2 0.6 -7.3 51 51 A G S < S+ 0 0 28 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.474 74.7 135.0 83.4 1.3 -0.8 -1.2 -7.3 52 52 A A - 0 0 45 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.567 67.2 -97.0 -83.6 147.1 1.0 1.8 -5.9 53 53 A I E +B 47 0A 18 -6,-0.2 -6,-0.3 -2,-0.2 3,-0.1 -0.444 45.6 167.8 -65.7 130.3 3.5 1.4 -3.1 54 54 A I E + 0 0 68 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.533 66.3 15.1-117.3 -17.0 1.8 2.1 0.3 55 55 A A E -B 46 0A 0 -9,-1.4 -9,-2.7 24,-0.1 -1,-0.4 -0.972 62.7-176.9-159.2 143.5 4.5 0.8 2.6 56 56 A A E -BC 45 78A 0 22,-1.6 22,-3.1 -2,-0.3 2,-0.4 -0.987 9.5-164.6-145.0 152.9 8.1 -0.2 2.4 57 57 A M E -B 44 0A 0 -13,-2.8 -13,-2.4 -2,-0.3 2,-0.8 -0.939 6.6-159.4-142.1 116.7 10.8 -1.6 4.6 58 58 A S E -B 43 0A 10 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.856 20.7-168.8 -97.2 110.9 14.5 -1.6 3.8 59 59 A M E -B 42 0A 0 -17,-2.4 -17,-2.2 -2,-0.8 2,-0.4 -0.718 13.4-158.7-101.7 151.5 16.2 -4.3 5.8 60 60 A L E -BD 41 72A 15 12,-2.0 12,-2.8 -2,-0.3 2,-0.5 -0.997 13.0-146.9-126.5 131.0 19.9 -4.8 6.4 61 61 A L E -BD 40 71A 2 -21,-2.9 -21,-2.5 -2,-0.4 2,-0.3 -0.873 18.5-177.9-103.6 130.8 21.1 -8.3 7.4 62 62 A G E - D 0 70A 7 8,-2.6 8,-2.9 -2,-0.5 -23,-0.1 -0.846 26.7-103.3-124.7 161.3 24.1 -8.7 9.7 63 63 A D - 0 0 130 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.365 31.5-171.1 -79.7 161.3 26.1 -11.6 11.1 64 64 A T - 0 0 31 2,-0.5 -1,-0.0 4,-0.3 6,-0.0 -0.812 44.5 -93.4-139.2 176.5 25.8 -12.9 14.7 65 65 A P S S+ 0 0 126 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.441 108.2 64.2 -76.7 3.9 27.7 -15.4 16.8 66 66 A T S S- 0 0 38 2,-0.4 -2,-0.5 262,-0.0 262,-0.0 -0.515 103.7 -94.5-114.9-175.8 25.1 -18.0 15.7 67 67 A D S S+ 0 0 138 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.0 0.425 99.3 86.3 -81.3 2.8 24.0 -19.5 12.4 68 68 A K S S- 0 0 44 257,-0.0 -2,-0.4 34,-0.0 -4,-0.3 -0.759 72.7-129.9-107.7 152.2 21.3 -16.9 12.1 69 69 A K E - e 0 102A 55 32,-2.9 34,-2.2 -2,-0.3 35,-0.7 -0.567 17.3-125.8 -92.8 159.6 21.4 -13.3 10.7 70 70 A F E -De 62 104A 22 -8,-2.9 -8,-2.6 32,-0.2 2,-0.6 -0.943 23.0-156.2-106.6 116.0 20.1 -10.2 12.4 71 71 A A E +De 61 105A 0 33,-1.9 35,-2.8 -2,-0.6 2,-0.4 -0.860 17.1 178.7 -98.2 122.8 17.6 -8.4 10.1 72 72 A Y E -De 60 106A 20 -12,-2.8 -12,-2.0 -2,-0.6 2,-0.7 -0.982 24.6-169.3-133.0 127.6 17.3 -4.7 10.9 73 73 A A E > - e 0 107A 0 33,-3.0 3,-2.2 -2,-0.4 35,-0.9 -0.819 30.0-141.0-113.0 86.4 15.2 -1.9 9.3 74 74 A S T 3 S- 0 0 8 -2,-0.7 -16,-0.1 1,-0.3 33,-0.1 -0.294 77.7 -15.9 -55.3 117.3 16.7 1.2 10.9 75 75 A K T 3 S+ 0 0 4 1,-0.2 35,-0.4 33,-0.2 -1,-0.3 0.718 117.6 161.4 57.2 25.5 14.0 3.7 11.7 76 76 A G < + 0 0 0 -3,-2.2 -1,-0.2 33,-0.1 2,-0.1 -0.463 30.2 72.6-107.6-178.6 11.6 1.8 9.4 77 77 A P - 0 0 4 0, 0.0 2,-0.9 0, 0.0 -20,-0.2 0.656 60.4-134.2 -81.6 178.7 9.3 0.8 8.1 78 78 A V B S+C 56 0A 0 -22,-3.1 -22,-1.6 -2,-0.1 2,-0.3 -0.845 71.9 66.9-100.3 102.2 8.1 3.7 6.0 79 79 A M S S- 0 0 7 -2,-0.9 2,-1.2 -24,-0.2 -24,-0.1 -0.911 104.4 -58.9 171.6-177.6 4.3 3.9 6.6 80 80 A D > - 0 0 63 -2,-0.3 3,-2.1 1,-0.2 7,-0.2 -0.784 50.0-165.0 -87.9 100.0 2.0 4.7 9.5 81 81 A V T 3 S+ 0 0 6 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.679 81.6 70.0 -63.2 -17.2 3.2 2.0 11.9 82 82 A T T 3 S+ 0 0 69 1,-0.2 2,-2.1 -3,-0.1 -1,-0.3 0.662 77.4 83.8 -74.2 -13.6 0.2 2.5 14.2 83 83 A D <> + 0 0 73 -3,-2.1 4,-2.3 1,-0.2 3,-0.4 -0.615 65.9 174.1 -84.8 75.1 -1.8 0.9 11.3 84 84 A V H > + 0 0 6 -2,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.783 67.7 57.8 -60.8 -32.1 -0.8 -2.5 12.8 85 85 A D H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.919 111.7 43.7 -65.8 -38.3 -2.9 -4.6 10.4 86 86 A L H > S+ 0 0 16 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.893 111.9 54.1 -70.3 -38.7 -1.1 -3.0 7.5 87 87 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.932 104.5 54.6 -59.8 -45.3 2.2 -3.4 9.4 88 88 A D H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.900 108.0 50.0 -55.2 -42.4 1.5 -7.1 9.8 89 89 A R H X S+ 0 0 137 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.903 111.9 46.4 -64.2 -42.2 1.1 -7.4 6.1 90 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.920 112.6 50.5 -67.0 -42.1 4.3 -5.6 5.3 91 91 A V H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.863 104.6 57.5 -64.4 -34.9 6.2 -7.7 7.9 92 92 A D H X S+ 0 0 77 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.902 107.2 49.1 -61.2 -38.7 4.8 -10.9 6.4 93 93 A E H X S+ 0 0 35 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.905 111.6 49.1 -64.9 -41.5 6.4 -9.8 3.1 94 94 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 109.3 51.4 -64.1 -45.0 9.6 -9.2 4.9 95 95 A V H X>S+ 0 0 41 -4,-3.1 4,-1.1 1,-0.2 5,-0.6 0.897 109.6 50.5 -60.2 -41.2 9.6 -12.5 6.7 96 96 A K H ><5S+ 0 0 143 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.940 111.0 49.3 -61.3 -46.7 9.0 -14.3 3.3 97 97 A A H 3<5S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.845 105.8 56.1 -61.7 -36.7 12.0 -12.4 1.8 98 98 A L H ><5S- 0 0 0 -4,-2.3 3,-2.1 -5,-0.1 -1,-0.2 0.745 89.8-159.2 -68.1 -24.4 14.2 -13.3 4.8 99 99 A D T <<5 - 0 0 129 -4,-1.1 -3,-0.1 -3,-0.7 -2,-0.1 0.827 63.9 -55.3 46.9 46.3 13.5 -17.0 4.0 100 100 A G T 3 - 0 0 44 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.945 48.0-123.1-162.5 148.4 2.4 4.9 24.3 115 115 A D H > S+ 0 0 105 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.890 113.0 53.5 -64.1 -37.2 1.0 2.0 26.4 116 116 A E H > S+ 0 0 156 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.943 112.2 42.0 -63.2 -48.0 -1.8 1.5 23.9 117 117 A F H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.923 114.7 52.2 -64.6 -43.1 0.5 1.2 20.9 118 118 A N H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.930 112.5 45.7 -58.1 -45.7 2.9 -0.9 22.8 119 119 A T H X S+ 0 0 62 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.905 110.0 53.0 -65.4 -42.7 0.1 -3.2 23.8 120 120 A T H X S+ 0 0 46 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.939 109.6 49.8 -59.0 -45.2 -1.4 -3.4 20.3 121 121 A L H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.4 0.928 112.4 46.4 -59.8 -45.7 2.0 -4.4 19.0 122 122 A Q H ><5S+ 0 0 87 -4,-2.2 3,-2.3 1,-0.2 -1,-0.2 0.901 107.6 57.3 -64.1 -39.3 2.4 -7.1 21.6 123 123 A D H 3<5S+ 0 0 124 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.2 54.0 -60.2 -30.0 -1.2 -8.3 20.9 124 124 A H T 3<5S- 0 0 56 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.346 128.4-100.5 -86.0 5.9 -0.1 -8.8 17.3 125 125 A G T < 5S+ 0 0 53 -3,-2.3 198,-0.4 1,-0.3 -3,-0.2 0.409 77.4 134.6 94.6 -3.0 2.8 -10.9 18.4 126 126 A Y < - 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0 0 66 1,-0.1 -163,-0.3 -164,-0.1 -1,-0.1 -0.344 55.9 -93.4 -67.3 151.8 10.2 17.7 26.1 313 313 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -165,-0.2 -0.347 41.2-110.9 -65.4 150.3 12.2 15.1 24.2 314 314 A R E -I 147 0C 88 -167,-3.1 -167,-2.7 -3,-0.1 2,-0.6 -0.630 27.7-151.0 -79.9 141.0 10.2 12.8 22.0 315 315 A E E -I 146 0C 47 -2,-0.3 -202,-3.2 -169,-0.2 -169,-0.2 -0.965 13.5-150.6-117.2 115.8 10.1 9.3 23.3 316 316 A Y B -H 112 0B 14 -171,-2.4 -204,-0.2 -2,-0.6 -206,-0.1 -0.384 27.3-108.2 -86.2 163.0 9.8 6.6 20.6 317 317 A I - 0 0 0 -206,-2.5 2,-0.3 -208,-0.4 -188,-0.1 0.707 56.5-147.4 -59.4 -22.4 8.2 3.2 20.8 318 318 A G - 0 0 5 -209,-0.4 2,-0.5 -207,-0.2 -1,-0.2 -0.628 47.8 -4.5 91.4-147.9 11.6 1.6 20.6 319 319 A E E - G 0 129A 0 -190,-2.1 -190,-2.6 -2,-0.3 2,-0.7 -0.741 54.1-161.7 -93.2 129.5 12.4 -1.7 19.0 320 320 A I E -FG 107 128A 0 -213,-2.7 -213,-2.0 -2,-0.5 2,-0.5 -0.946 15.7-162.5-108.3 113.0 9.7 -3.8 17.5 321 321 A D E -FG 106 127A 0 -194,-3.4 -194,-2.6 -2,-0.7 2,-0.9 -0.868 18.0-159.2-105.8 126.9 10.9 -7.3 17.1 322 322 A K E -F 105 0A 47 -217,-3.0 -217,-1.8 -2,-0.5 2,-0.5 -0.901 27.5-144.5 -98.6 104.3 9.3 -9.9 14.9 323 323 A V E +F 104 0A 42 -2,-0.9 -219,-0.2 -198,-0.4 -220,-0.1 -0.625 33.2 162.6 -77.8 121.8 10.8 -13.0 16.5 324 324 A L S S+ 0 0 53 -221,-2.2 -220,-0.2 -2,-0.5 -1,-0.2 0.789 74.1 34.1-105.8 -45.3 11.5 -15.8 14.0 325 325 A D > - 0 0 30 -222,-2.3 4,-2.6 1,-0.1 -1,-0.3 -0.882 69.7-171.3-115.6 97.1 13.9 -18.1 15.8 326 326 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.817 81.9 51.8 -55.4 -39.1 12.8 -17.9 19.5 327 327 A E H > S+ 0 0 142 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.949 114.4 40.1 -69.0 -47.8 15.8 -19.9 20.8 328 328 A V H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 113.9 56.6 -68.0 -36.4 18.4 -17.7 19.2 329 329 A Y H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.939 106.7 47.8 -59.0 -48.1 16.4 -14.6 20.0 330 330 A A H < S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.1 51.3 -63.4 -29.6 16.4 -15.4 23.7 331 331 A E H < S+ 0 0 99 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.938 120.6 29.9 -72.3 -47.5 20.1 -16.0 23.5 332 332 A L H < S+ 0 0 59 -4,-2.7 2,-0.5 1,-0.1 -2,-0.2 0.633 117.6 55.2 -90.5 -16.2 21.1 -12.8 21.8 333 333 A V < + 0 0 16 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.1 -0.962 59.2 149.0-128.4 119.4 18.4 -10.4 23.1 334 334 A K 0 0 106 -2,-0.5 -3,-0.0 1,-0.1 -4,-0.0 -0.930 360.0 360.0-140.1 163.2 17.6 -9.8 26.8 335 335 A D 0 0 120 -2,-0.3 -201,-2.4 -202,-0.1 -1,-0.1 0.859 360.0 360.0 -68.6 360.0 16.3 -6.9 28.9