==== 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 ELECTRON TRANSPORT 13-JUL-00 1FAA . COMPND 2 MOLECULE: THIOREDOXIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA; . AUTHOR G.CAPITANI,Z.MARKOVIC-HOUSLEY,G.DELVAL,M.MORRIS, . 121 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 11.6 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 0.8 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 . 12 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 L 0 0 226 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.7 23.6 11.1 23.0 2 2 A E - 0 0 180 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.418 360.0-102.0 -99.2 177.6 20.8 9.4 21.0 3 3 A L - 0 0 141 -2,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.733 24.4-154.5-103.2 149.6 18.0 7.0 22.2 4 4 A A - 0 0 83 -2,-0.3 2,-0.2 27,-0.0 24,-0.1 -0.969 10.1-143.2-122.8 141.0 17.9 3.2 21.9 5 5 A L + 0 0 54 -2,-0.4 2,-0.2 22,-0.3 23,-0.0 -0.637 23.6 173.0 -97.8 159.4 14.7 1.2 21.8 6 6 A G >> - 0 0 30 -2,-0.2 4,-1.9 26,-0.0 3,-0.6 -0.772 51.9 -60.8-148.5-167.8 14.3 -2.2 23.3 7 7 A T H 3> S+ 0 0 103 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.889 125.3 63.5 -48.7 -45.9 11.9 -5.0 24.1 8 8 A Q H 3> S+ 0 0 148 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.910 108.5 39.0 -46.1 -52.5 10.0 -2.6 26.3 9 9 A E H <4 S+ 0 0 63 -3,-0.6 4,-0.5 2,-0.2 -1,-0.2 0.827 114.5 51.5 -72.0 -35.5 9.1 -0.4 23.3 10 10 A M H >X S+ 0 0 13 -4,-1.9 4,-1.4 1,-0.2 3,-1.0 0.882 107.9 53.0 -69.5 -38.5 8.4 -3.2 20.8 11 11 A E H 3< S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 105.2 57.3 -64.5 -32.0 6.1 -4.8 23.2 12 12 A A T 3< S+ 0 0 56 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.626 111.9 39.1 -75.3 -14.6 4.2 -1.6 23.5 13 13 A I T X4 S+ 0 0 28 -3,-1.0 3,-1.7 -4,-0.5 55,-0.2 0.638 82.8 108.9-114.1 -12.9 3.5 -1.3 19.8 14 14 A V T 3< S+ 0 0 32 -4,-1.4 50,-0.1 1,-0.2 53,-0.1 -0.318 81.1 30.5 -62.4 147.3 2.7 -4.8 18.6 15 15 A G T 3 S+ 0 0 22 51,-0.5 -1,-0.2 48,-0.4 2,-0.2 0.303 113.8 77.0 86.8 -10.0 -1.0 -5.2 17.8 16 16 A K S < S- 0 0 120 -3,-1.7 52,-0.6 48,-0.1 2,-0.5 -0.760 80.5-114.2-126.1 172.7 -1.3 -1.6 16.7 17 17 A V E -a 68 0A 35 -2,-0.2 2,-0.5 -3,-0.1 52,-0.2 -0.939 31.6-163.2-108.6 126.3 -0.4 0.7 13.8 18 18 A T E -a 69 0A 38 50,-1.9 52,-2.0 -2,-0.5 2,-0.4 -0.935 13.0-139.4-118.0 130.1 2.2 3.3 14.7 19 19 A E E -a 70 0A 101 -2,-0.5 2,-0.2 50,-0.2 52,-0.2 -0.730 28.1-175.4 -85.8 131.2 3.0 6.4 12.6 20 20 A V E -a 71 0A 7 50,-2.7 52,-0.5 -2,-0.4 2,-0.2 -0.719 12.6-147.9-119.8 170.0 6.7 7.2 12.4 21 21 A N >> - 0 0 43 -2,-0.2 4,-1.8 50,-0.1 3,-0.7 -0.723 45.0 -82.4-127.5-179.4 8.8 10.0 10.9 22 22 A K T 34 S+ 0 0 61 1,-0.2 4,-0.2 -2,-0.2 55,-0.1 0.604 130.0 48.0 -63.2 -7.1 12.3 10.1 9.3 23 23 A D T 34 S+ 0 0 99 2,-0.1 -1,-0.2 3,-0.1 54,-0.0 0.696 116.7 36.4-103.4 -25.9 13.7 10.3 12.8 24 24 A T T <> S+ 0 0 64 -3,-0.7 4,-1.0 2,-0.1 -2,-0.2 0.512 97.0 82.1-105.7 -5.8 11.8 7.4 14.5 25 25 A F H >X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.7 0.989 95.0 38.6 -62.9 -61.9 11.6 4.9 11.7 26 26 A W H 3> S+ 0 0 52 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.845 109.1 59.8 -60.2 -41.4 15.1 3.3 11.9 27 27 A P H 3> S+ 0 0 47 0, 0.0 4,-0.8 0, 0.0 -22,-0.3 0.837 112.3 43.0 -57.4 -30.0 15.3 3.2 15.8 28 28 A I H < S+ 0 0 3 -4,-2.4 3,-1.0 1,-0.2 69,-0.3 0.912 112.2 51.8 -58.0 -42.4 13.3 -1.1 12.7 30 30 A K H >< S+ 0 0 135 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.824 109.7 49.0 -64.6 -31.9 16.7 -1.6 14.3 31 31 A A H 3< S+ 0 0 30 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.532 89.9 88.8 -84.2 -5.4 15.0 -2.7 17.6 32 32 A A T X< S- 0 0 10 -3,-1.0 3,-2.1 -4,-0.7 -1,-0.2 0.572 70.3-163.9 -69.7 -13.9 12.8 -5.2 15.7 33 33 A G T < - 0 0 44 -3,-0.6 64,-0.7 1,-0.3 -1,-0.2 -0.408 67.5 -28.5 63.8-134.1 15.1 -8.1 15.8 34 34 A D T 3 S+ 0 0 106 62,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.288 107.7 117.6 -98.9 10.3 14.1 -10.7 13.3 35 35 A K S < S- 0 0 73 -3,-2.1 62,-0.3 1,-0.1 31,-0.2 -0.607 72.5-113.4 -76.4 132.4 10.4 -9.7 13.5 36 36 A P - 0 0 8 0, 0.0 31,-2.6 0, 0.0 2,-0.4 -0.343 26.0-149.5 -66.4 149.3 9.2 -8.4 10.1 37 37 A V E -bC 67 95A 2 58,-2.7 58,-3.1 29,-0.2 2,-0.5 -0.969 5.8-159.7-120.0 135.0 8.3 -4.7 9.9 38 38 A V E -bC 68 94A 0 29,-3.3 31,-3.1 -2,-0.4 2,-0.5 -0.974 4.9-162.8-117.2 131.9 5.6 -3.5 7.5 39 39 A L E -bC 69 93A 0 54,-2.7 54,-2.4 -2,-0.5 2,-0.8 -0.967 7.9-156.7-120.5 122.8 5.5 0.1 6.4 40 40 A D E -bC 70 92A 10 29,-2.3 31,-2.5 -2,-0.5 2,-0.7 -0.860 12.8-161.0 -95.8 108.1 2.5 1.8 4.8 41 41 A M E +bC 71 91A 0 50,-3.2 50,-1.8 -2,-0.8 2,-0.2 -0.849 26.8 152.0 -95.9 116.8 3.8 4.8 2.9 42 42 A F E -b 72 0A 19 29,-2.1 31,-3.5 -2,-0.7 2,-0.3 -0.751 35.5-134.8-134.3 178.4 0.9 7.2 2.2 43 43 A T > - 0 0 10 -2,-0.2 3,-1.7 29,-0.2 6,-0.1 -0.935 30.2-113.9-134.6 156.1 0.1 10.9 1.6 44 44 A Q T 3 S+ 0 0 117 -2,-0.3 30,-0.0 1,-0.3 6,-0.0 0.709 116.9 51.1 -65.8 -17.6 -2.7 13.0 3.0 45 45 A W T 3 S+ 0 0 198 1,-0.0 2,-0.9 4,-0.0 -1,-0.3 0.260 82.3 114.6-102.2 12.4 -4.3 13.3 -0.4 46 46 A a <> - 0 0 5 -3,-1.7 4,-1.7 1,-0.2 5,-0.2 -0.725 42.0-174.6 -93.4 103.6 -4.4 9.6 -1.0 47 47 A G H > S+ 0 0 38 -2,-0.9 4,-2.3 1,-0.2 3,-0.4 0.944 84.6 47.6 -57.9 -59.8 -7.9 8.2 -1.2 48 48 A P H > S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.829 109.6 60.2 -53.5 -29.6 -7.1 4.5 -1.6 49 49 A a H > S+ 0 0 6 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.923 106.8 41.6 -64.4 -48.9 -4.7 5.0 1.3 50 50 A K H >< S+ 0 0 125 -4,-1.7 3,-0.7 -3,-0.4 -1,-0.2 0.921 113.3 54.9 -65.9 -41.5 -7.4 6.2 3.8 51 51 A A H 3< S+ 0 0 62 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.784 108.5 48.7 -60.9 -30.2 -9.8 3.5 2.5 52 52 A M H >X S+ 0 0 5 -4,-1.4 4,-2.3 -5,-0.2 3,-0.8 0.701 87.9 90.9 -82.1 -20.6 -7.1 0.8 3.3 53 53 A A H S+ 0 0 83 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.846 112.3 50.1 -65.2 -31.1 -9.0 0.0 8.6 55 55 A K H <> S+ 0 0 101 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.908 109.1 52.1 -70.9 -39.1 -7.9 -3.2 6.8 56 56 A Y H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.906 108.7 51.1 -62.4 -40.9 -4.3 -2.4 7.7 57 57 A E H X S+ 0 0 102 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.797 107.6 53.2 -66.8 -28.3 -5.3 -2.0 11.4 58 58 A K H X S+ 0 0 107 -4,-1.1 4,-1.8 2,-0.2 3,-0.5 0.911 107.0 51.2 -71.9 -42.3 -7.1 -5.4 11.2 59 59 A L H X S+ 0 0 17 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.887 106.9 54.8 -58.9 -41.4 -3.9 -7.0 9.9 60 60 A A H < S+ 0 0 0 -4,-1.9 -45,-0.4 1,-0.2 -1,-0.2 0.773 108.4 48.8 -65.2 -27.9 -2.0 -5.4 12.9 61 61 A E H < S+ 0 0 107 -4,-1.0 -1,-0.2 -3,-0.5 3,-0.2 0.813 113.2 46.8 -79.7 -34.1 -4.4 -7.0 15.3 62 62 A E H < S+ 0 0 111 -4,-1.8 2,-0.8 1,-0.2 -2,-0.2 0.884 111.1 51.6 -74.8 -40.0 -4.2 -10.5 13.7 63 63 A Y >< + 0 0 37 -4,-2.4 3,-1.0 -5,-0.2 -48,-0.4 -0.762 56.0 167.5-105.7 88.9 -0.4 -10.6 13.4 64 64 A L T 3 S+ 0 0 100 -2,-0.8 -1,-0.1 1,-0.2 -48,-0.1 0.532 74.9 62.6 -76.0 -7.8 1.2 -9.8 16.8 65 65 A D T 3 S+ 0 0 63 -51,-0.1 2,-0.3 -50,-0.0 -1,-0.2 0.027 96.2 70.4-104.9 25.8 4.7 -11.0 15.6 66 66 A V S < S- 0 0 1 -3,-1.0 2,-0.6 -6,-0.2 -51,-0.5 -0.988 77.7-133.1-139.6 140.8 4.9 -8.4 12.9 67 67 A I E - b 0 37A 3 -31,-2.6 -29,-3.3 -2,-0.3 2,-0.6 -0.884 17.8-158.6-102.5 119.8 5.3 -4.6 13.4 68 68 A F E +ab 17 38A 2 -52,-0.6 -50,-1.9 -2,-0.6 2,-0.3 -0.867 19.3 165.7-103.9 122.0 3.0 -2.3 11.5 69 69 A L E -ab 18 39A 0 -31,-3.1 -29,-2.3 -2,-0.6 2,-0.3 -0.800 20.2-150.9-126.7 166.8 4.0 1.3 10.9 70 70 A K E -ab 19 40A 59 -52,-2.0 -50,-2.7 -2,-0.3 2,-0.4 -0.999 3.5-161.8-143.5 143.5 2.9 4.1 8.6 71 71 A L E -ab 20 41A 0 -31,-2.5 -29,-2.1 -2,-0.3 2,-0.7 -0.990 16.9-138.6-129.8 125.2 4.8 7.1 7.1 72 72 A D E - b 0 42A 17 -52,-0.5 2,-1.9 -2,-0.4 -29,-0.2 -0.730 20.7-142.0 -80.1 116.4 3.3 10.3 5.7 73 73 A C + 0 0 26 -31,-3.5 2,-0.1 -2,-0.7 -1,-0.1 -0.536 54.4 125.2 -84.7 76.5 5.3 10.9 2.6 74 74 A N S S- 0 0 70 -2,-1.9 7,-0.1 -31,-0.1 4,-0.0 -0.137 75.9 -69.4-111.5-154.8 5.5 14.7 2.9 75 75 A Q S > S+ 0 0 160 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.931 126.5 49.4 -70.2 -50.7 8.1 17.5 3.1 76 76 A E T 3 S+ 0 0 92 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.735 118.8 40.3 -62.4 -24.3 9.6 16.7 6.5 77 77 A N T 3> S+ 0 0 6 -5,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.224 78.8 112.2-110.0 12.5 10.0 13.0 5.5 78 78 A K H <> S+ 0 0 125 -3,-1.3 4,-2.8 1,-0.2 5,-0.2 0.877 76.0 54.9 -50.8 -43.2 11.1 13.5 2.0 79 79 A T H > S+ 0 0 94 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.957 109.9 41.2 -56.0 -61.4 14.6 12.2 2.9 80 80 A L H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 114.7 54.7 -56.8 -41.9 13.5 8.8 4.3 81 81 A A H X S+ 0 0 8 -4,-2.4 4,-1.0 2,-0.2 3,-0.5 0.961 109.6 44.5 -57.1 -54.6 11.0 8.4 1.6 82 82 A K H < S+ 0 0 162 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.873 112.3 54.7 -57.8 -39.3 13.6 8.9 -1.2 83 83 A E H < S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.820 107.8 47.6 -66.0 -32.7 15.9 6.6 0.7 84 84 A L H < S- 0 0 14 -4,-2.0 -1,-0.2 -3,-0.5 -2,-0.2 0.630 117.0-119.5 -83.2 -11.3 13.3 3.8 0.8 85 85 A G < - 0 0 35 -4,-1.0 2,-0.4 -3,-0.4 -3,-0.2 0.961 40.2-178.1 74.0 87.9 12.7 4.3 -2.9 86 86 A I + 0 0 49 -5,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.970 24.9 161.3-126.8 132.3 9.1 5.4 -3.7 87 87 A R S S+ 0 0 252 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.581 71.3 16.0-114.4 -23.2 7.5 6.0 -7.0 88 88 A V S S- 0 0 76 18,-0.0 -1,-0.2 -47,-0.0 -47,-0.1 -0.945 77.3 -86.9-149.7 166.3 3.8 5.7 -6.0 89 89 A V S S+ 0 0 32 -2,-0.3 -47,-0.1 1,-0.2 2,-0.1 -0.991 95.9 35.5-131.1 142.5 1.2 5.6 -3.2 90 90 A P S S+ 0 0 6 0, 0.0 16,-3.2 0, 0.0 2,-0.4 0.508 77.2 164.8 -82.0 155.1 0.2 3.6 -1.5 91 91 A T E -CD 41 105A 2 -50,-1.8 -50,-3.2 14,-0.2 2,-0.5 -1.000 21.0-156.3-133.0 133.9 3.3 1.6 -1.2 92 92 A F E -CD 40 104A 0 12,-3.4 12,-2.5 -2,-0.4 2,-0.5 -0.946 7.5-166.1-112.2 128.2 4.0 -1.1 1.4 93 93 A K E -CD 39 103A 14 -54,-2.4 -54,-2.7 -2,-0.5 2,-0.5 -0.942 5.1-158.1-113.0 131.3 7.5 -2.0 2.4 94 94 A I E -CD 38 102A 1 8,-2.2 7,-3.2 -2,-0.5 8,-1.5 -0.947 15.3-173.0-109.7 126.8 8.3 -5.2 4.3 95 95 A L E +CD 37 100A 1 -58,-3.1 -58,-2.7 -2,-0.5 2,-0.3 -0.860 11.5 178.7-117.8 153.5 11.6 -5.1 6.2 96 96 A K E > S- D 0 99A 44 3,-2.6 3,-1.0 -2,-0.3 -62,-0.1 -0.933 72.7 -0.6-152.9 126.2 13.5 -7.8 8.1 97 97 A E T 3 S- 0 0 121 -64,-0.7 -63,-0.1 -62,-0.3 -67,-0.1 0.930 130.4 -53.4 57.6 50.0 16.9 -7.4 9.8 98 98 A N T 3 S+ 0 0 81 -69,-0.3 2,-0.3 -65,-0.2 -1,-0.2 0.547 120.2 99.3 64.3 11.2 17.3 -3.7 8.7 99 99 A S E < S-D 96 0A 69 -3,-1.0 -3,-2.6 0, 0.0 2,-0.4 -0.956 78.4-113.5-129.5 147.3 16.8 -4.6 5.1 100 100 A V E +D 95 0A 66 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.645 35.3 170.4 -76.3 125.1 13.8 -4.3 2.7 101 101 A V E + 0 0 85 -7,-3.2 2,-0.3 -2,-0.4 -6,-0.2 0.475 60.4 12.3-114.8 -5.2 12.7 -7.8 1.7 102 102 A G E -D 94 0A 24 -8,-1.5 -8,-2.2 2,-0.0 2,-0.3 -0.990 54.0-161.6-163.6 164.8 9.4 -7.0 -0.1 103 103 A E E -D 93 0A 101 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.965 0.9-168.7-157.3 136.1 7.2 -4.4 -1.6 104 104 A V E -D 92 0A 12 -12,-2.5 -12,-3.4 -2,-0.3 2,-0.4 -0.999 12.0-157.8-128.1 127.7 3.6 -4.1 -2.6 105 105 A T E +D 91 0A 59 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.908 58.5 12.4-109.6 135.7 2.3 -1.2 -4.6 106 106 A G S S- 0 0 23 -16,-3.2 2,-1.9 -2,-0.4 -14,-0.1 -0.149 108.9 -56.7 88.6 168.5 -1.3 -0.1 -4.6 107 107 A A S S+ 0 0 41 1,-0.1 2,-1.6 -18,-0.1 3,-0.2 -0.334 76.1 146.6 -81.5 56.0 -4.0 -1.3 -2.2 108 108 A K >> + 0 0 94 -2,-1.9 4,-2.6 1,-0.2 3,-0.6 -0.527 15.5 170.2 -91.1 68.5 -3.5 -5.0 -3.0 109 109 A Y H 3> S+ 0 0 134 -2,-1.6 4,-2.3 1,-0.3 -1,-0.2 0.802 74.5 57.0 -52.2 -29.2 -4.3 -6.1 0.5 110 110 A D H 3> S+ 0 0 87 -3,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.936 109.4 41.9 -69.3 -45.4 -4.3 -9.7 -0.8 111 111 A K H <> S+ 0 0 90 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.857 113.1 56.2 -69.1 -32.1 -0.7 -9.5 -2.1 112 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.934 105.2 50.3 -62.7 -47.1 0.2 -7.6 1.0 113 113 A L H X S+ 0 0 57 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.832 110.3 51.8 -60.5 -33.1 -1.1 -10.5 3.2 114 114 A E H X S+ 0 0 111 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.936 109.2 48.1 -68.2 -46.7 1.0 -12.9 1.0 115 115 A A H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.824 109.6 54.0 -61.6 -35.5 4.2 -10.9 1.5 116 116 A I H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.847 109.8 47.0 -67.5 -38.6 3.6 -10.8 5.2 117 117 A Q H < S+ 0 0 82 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.901 112.6 50.2 -69.7 -41.6 3.2 -14.6 5.4 118 118 A A H >< S+ 0 0 63 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.931 106.9 53.4 -62.1 -46.4 6.3 -14.9 3.3 119 119 A A H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.851 96.9 68.2 -58.7 -34.5 8.4 -12.6 5.5 120 120 A R T 3< 0 0 92 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.246 360.0 360.0 -71.7 16.6 7.4 -14.7 8.6 121 121 A S < 0 0 150 -3,-1.5 -2,-0.2 0, 0.0 -1,-0.2 0.521 360.0 360.0-146.3 360.0 9.5 -17.6 7.2