==== 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 02-SEP-98 1BT4 . COMPND 2 MOLECULE: PROTEIN (PHOSPHOSERINE AMINOTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS SUBSP. ALKALOPHILUS . AUTHOR G.HESTER,T.N.LUONG,M.MOSER,J.N.JANSONIUS . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 0.3 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 0 1 0 0 0 3 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 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 . 2 2 0 1 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 . 1 1 1 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 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 2 A S 0 0 151 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.4 18.9 -33.0 -0.2 2 3 A E + 0 0 197 1,-0.1 2,-0.4 0, 0.0 0, 0.0 0.593 360.0 87.2 55.8 11.5 15.9 -31.7 -2.3 3 4 A R S S- 0 0 123 2,-0.0 -1,-0.1 317,-0.0 3,-0.0 -0.888 79.6-145.6-139.6 93.7 16.2 -28.9 0.3 4 5 A A - 0 0 59 -2,-0.4 2,-1.4 1,-0.1 317,-0.2 -0.115 25.6-101.5 -60.9 158.6 18.7 -26.4 -1.0 5 6 A Y E -a 321 0A 90 315,-1.7 317,-3.0 340,-0.1 2,-0.7 -0.739 48.9-161.7 -84.8 91.5 21.1 -24.4 1.3 6 7 A N E +a 322 0A 44 -2,-1.4 7,-0.2 315,-0.2 317,-0.2 -0.718 32.2 157.7 -86.4 108.9 19.0 -21.2 1.2 7 8 A F + 0 0 0 315,-3.1 329,-1.0 -2,-0.7 -1,-0.1 0.014 24.5 152.0-114.1 23.6 20.9 -18.0 2.2 8 9 A N - 0 0 61 1,-0.1 5,-0.3 327,-0.1 315,-0.1 -0.233 43.6-140.8 -55.3 144.6 18.5 -15.7 0.3 9 10 A A S S+ 0 0 16 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.577 76.2 7.2 -87.6 -10.0 18.3 -12.2 1.9 10 11 A G S S+ 0 0 33 1,-1.5 -1,-0.2 326,-0.1 2,-0.2 -0.079 121.3 42.0 140.2 115.3 14.5 -11.7 1.4 11 12 A P S S+ 0 0 86 0, 0.0 -1,-1.5 0, 0.0 2,-0.2 0.562 100.2 166.8 -53.9 155.9 12.2 -13.3 0.4 12 13 A A - 0 0 13 183,-1.0 -3,-0.1 187,-0.5 -5,-0.1 -0.701 29.9 -41.3-138.6-170.0 13.9 -16.0 2.6 13 14 A A - 0 0 19 -5,-0.3 327,-0.4 -7,-0.2 186,-0.2 -0.277 41.9-164.5 -63.5 137.4 13.8 -19.4 4.3 14 15 A L - 0 0 35 326,-0.1 2,-0.1 325,-0.1 184,-0.0 -0.855 38.4 -86.4-118.4 152.0 10.7 -20.6 6.2 15 16 A P > - 0 0 7 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.389 32.0-133.7 -60.7 136.0 10.7 -23.5 8.7 16 17 A L H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 105.4 52.7 -58.8 -40.8 10.1 -26.8 6.9 17 18 A E H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 107.3 50.8 -67.1 -30.6 7.5 -27.9 9.4 18 19 A V H > S+ 0 0 0 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.848 110.1 50.6 -74.9 -31.2 5.5 -24.7 9.0 19 20 A L H X S+ 0 0 66 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.880 112.8 46.9 -70.2 -39.6 5.5 -25.2 5.2 20 21 A E H X S+ 0 0 111 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.901 111.6 48.6 -68.7 -44.5 4.3 -28.8 5.7 21 22 A R H X S+ 0 0 76 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.894 114.3 47.9 -61.7 -40.8 1.5 -27.9 8.1 22 23 A A H < S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 111.3 50.2 -67.7 -34.9 0.4 -25.2 5.7 23 24 A Q H >< S+ 0 0 151 -4,-1.6 3,-1.1 1,-0.2 4,-0.4 0.889 104.9 58.7 -71.0 -38.2 0.6 -27.7 2.8 24 25 A A H 3< S+ 0 0 89 -4,-2.5 4,-0.3 1,-0.3 3,-0.2 0.836 117.9 29.4 -60.0 -38.8 -1.5 -30.2 4.7 25 26 A E T 3< S+ 0 0 46 -4,-1.2 11,-0.4 1,-0.1 -1,-0.3 0.127 88.2 109.4-111.0 22.4 -4.5 -27.9 5.2 26 27 A F S < S+ 0 0 85 -3,-1.1 11,-0.3 1,-0.2 3,-0.2 0.880 89.8 29.0 -64.6 -40.5 -4.0 -25.8 2.0 27 28 A V S S+ 0 0 115 -4,-0.4 2,-0.5 1,-0.3 -1,-0.2 0.863 134.0 26.0 -89.6 -38.4 -7.0 -27.2 0.2 28 29 A D S S- 0 0 76 -4,-0.3 2,-0.7 5,-0.1 3,-0.4 -0.915 74.2-158.7-131.4 102.9 -9.3 -28.0 3.2 29 30 A Y S > S- 0 0 20 5,-2.4 3,-1.5 -2,-0.5 5,-0.3 -0.748 73.2 -26.2 -89.7 115.7 -8.7 -26.0 6.3 30 31 A Q T 3 S- 0 0 123 -2,-0.7 -1,-0.2 1,-0.3 -5,-0.0 0.862 112.2 -68.8 50.4 44.9 -10.0 -27.6 9.5 31 32 A H T 3 S+ 0 0 182 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.758 100.7 130.3 48.4 32.6 -12.7 -29.6 7.6 32 33 A T S < S- 0 0 61 -3,-1.5 -1,-0.1 2,-0.3 -2,-0.1 0.642 78.4-113.8 -84.0 -17.3 -14.6 -26.4 6.9 33 34 A G S S+ 0 0 59 1,-0.3 2,-0.3 -4,-0.1 -3,-0.1 0.578 85.6 64.1 94.3 13.5 -14.7 -27.4 3.2 34 35 A M S S- 0 0 65 -5,-0.3 -5,-2.4 5,-0.0 -2,-0.3 -0.987 83.2 -94.9-161.3 162.5 -12.5 -24.6 1.9 35 36 A S > - 0 0 6 -2,-0.3 3,-2.2 -7,-0.2 4,-0.3 -0.456 39.3-112.3 -78.4 155.6 -9.1 -23.1 2.0 36 37 A I G > S+ 0 0 3 -11,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.764 118.9 59.1 -60.5 -22.1 -8.2 -20.3 4.4 37 38 A M G 3 S+ 0 0 110 -11,-0.3 -1,-0.3 1,-0.2 205,-0.1 0.406 98.3 55.5 -89.9 5.8 -7.9 -18.1 1.3 38 39 A E G < S+ 0 0 131 -3,-2.2 2,-0.3 2,-0.1 -1,-0.2 0.299 91.3 97.4-113.4 2.8 -11.5 -18.7 0.1 39 40 A M S < S- 0 0 26 -3,-0.6 2,-0.1 -4,-0.3 202,-0.1 -0.689 82.1 -99.5 -98.1 150.5 -13.0 -17.5 3.4 40 41 A S > - 0 0 72 -2,-0.3 3,-1.2 1,-0.1 6,-0.5 -0.351 20.7-136.7 -64.7 137.9 -14.4 -14.0 4.4 41 42 A H T 3 S+ 0 0 42 1,-0.2 -1,-0.1 5,-0.1 9,-0.1 0.604 107.1 52.6 -71.2 -12.2 -12.1 -11.8 6.3 42 43 A R T 3 S+ 0 0 135 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.345 89.8 108.8-101.5 0.5 -15.1 -10.9 8.6 43 44 A G S <> S- 0 0 26 -3,-1.2 4,-2.6 1,-0.1 5,-0.3 -0.467 81.4-113.8 -81.0 154.3 -16.0 -14.5 9.3 44 45 A A H > S+ 0 0 91 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.797 111.8 54.0 -52.8 -38.3 -15.4 -16.3 12.6 45 46 A V H > S+ 0 0 55 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.919 114.9 35.6 -68.4 -47.6 -12.8 -18.6 11.2 46 47 A Y H > S+ 0 0 1 -6,-0.5 4,-3.0 -3,-0.2 -2,-0.2 0.913 113.2 57.7 -74.3 -41.2 -10.4 -16.0 9.8 47 48 A E H X S+ 0 0 50 -4,-2.6 4,-2.3 -7,-0.2 5,-0.2 0.829 103.5 56.6 -57.6 -30.1 -11.0 -13.4 12.5 48 49 A A H X S+ 0 0 53 -4,-1.1 4,-1.9 -5,-0.3 -1,-0.2 0.951 111.8 39.1 -66.7 -49.2 -9.8 -16.0 15.0 49 50 A V H X S+ 0 0 7 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.895 114.0 57.8 -67.5 -36.1 -6.4 -16.6 13.3 50 51 A H H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.926 113.8 36.3 -58.3 -50.3 -6.2 -12.8 12.6 51 52 A N H X S+ 0 0 64 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.771 112.3 58.6 -76.0 -29.2 -6.5 -11.9 16.3 52 53 A E H X S+ 0 0 71 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.801 100.6 57.9 -69.4 -31.8 -4.4 -14.9 17.5 53 54 A A H X S+ 0 0 1 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.897 108.3 46.1 -63.6 -42.6 -1.5 -13.8 15.4 54 55 A Q H X S+ 0 0 30 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.824 113.3 49.4 -67.5 -37.9 -1.5 -10.4 17.3 55 56 A A H X S+ 0 0 60 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.897 110.3 49.4 -70.8 -41.6 -1.9 -12.1 20.6 56 57 A R H X S+ 0 0 64 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.817 108.7 54.5 -65.9 -34.0 1.0 -14.6 20.0 57 58 A L H X S+ 0 0 4 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.952 111.1 42.3 -65.0 -52.2 3.3 -11.7 18.9 58 59 A L H <>S+ 0 0 33 -4,-1.6 5,-2.6 1,-0.2 3,-0.4 0.886 112.2 55.4 -63.1 -39.2 2.9 -9.6 22.0 59 60 A A H ><5S+ 0 0 44 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.907 105.4 52.0 -61.1 -41.0 3.1 -12.8 24.2 60 61 A L H 3<5S+ 0 0 22 -4,-1.8 200,-0.4 1,-0.3 -1,-0.3 0.770 106.9 55.0 -64.4 -27.1 6.5 -13.5 22.6 61 62 A L T 3<5S- 0 0 22 -4,-1.1 123,-0.3 -3,-0.4 -1,-0.3 0.385 130.9 -94.7 -87.3 3.1 7.5 -10.0 23.5 62 63 A G T < 5 - 0 0 62 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.2 0.710 65.5 -75.6 91.0 21.3 6.7 -10.6 27.1 63 64 A N < - 0 0 105 -5,-2.6 -4,-0.2 -6,-0.1 -1,-0.1 0.932 61.7-169.0 57.2 55.6 3.2 -9.2 26.9 64 65 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 3,-0.3 -0.399 13.7-136.6 -70.1 155.0 3.8 -5.4 26.8 65 66 A T S S+ 0 0 118 1,-0.2 3,-0.1 -2,-0.0 -2,-0.0 -0.797 74.9 38.9-112.6 158.2 0.6 -3.3 27.3 66 67 A G S S+ 0 0 35 -2,-0.3 144,-2.1 1,-0.2 2,-0.4 0.626 88.9 111.0 81.7 15.3 -0.5 -0.2 25.4 67 68 A Y E -B 209 0B 14 -3,-0.3 2,-0.4 142,-0.3 -1,-0.2 -0.959 51.6-151.8-125.8 143.2 0.6 -1.4 22.0 68 69 A K E -B 208 0B 72 140,-2.8 140,-2.5 -2,-0.4 2,-0.6 -0.921 10.1-141.0-115.4 137.0 -1.4 -2.5 18.9 69 70 A V E -B 207 0B 2 -2,-0.4 2,-0.3 138,-0.2 138,-0.2 -0.877 25.2-171.3 -97.1 118.7 -0.2 -5.0 16.3 70 71 A L E -B 206 0B 3 136,-3.4 136,-2.4 -2,-0.6 2,-0.6 -0.834 17.6-148.1-111.9 149.4 -1.3 -3.8 12.8 71 72 A F E +B 205 0B 6 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.965 28.6 170.7-118.2 110.6 -1.1 -5.7 9.5 72 73 A I E -B 204 0B 2 132,-2.8 132,-2.5 -2,-0.6 3,-0.3 -0.912 25.4-130.7-125.4 148.9 -0.6 -3.3 6.6 73 74 A Q S S+ 0 0 96 -2,-0.3 130,-0.1 130,-0.2 0, 0.0 -0.391 74.2 66.3 -88.7 170.3 0.3 -3.9 2.9 74 75 A G S > S- 0 0 44 128,-0.2 4,-1.0 -2,-0.1 3,-0.2 0.342 92.8-106.5 102.8 -7.9 3.0 -2.2 0.9 75 76 A G H >> - 0 0 20 -3,-0.3 4,-0.9 1,-0.2 3,-0.5 -0.046 52.4 -58.8 76.5 175.1 6.1 -3.5 2.5 76 77 A A H 3> S+ 0 0 13 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.756 132.0 68.4 -64.4 -23.3 8.5 -1.7 4.8 77 78 A S H >> S+ 0 0 68 1,-0.2 3,-0.9 -3,-0.2 4,-0.6 0.887 94.3 52.1 -63.5 -43.5 9.0 0.7 1.9 78 79 A T H XX S+ 0 0 54 -4,-1.0 4,-2.5 -3,-0.5 3,-0.9 0.844 103.7 59.8 -64.0 -28.9 5.5 2.1 2.2 79 80 A Q H 3X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.2 -1,-0.3 0.769 90.4 70.4 -69.4 -23.4 6.2 2.7 5.9 80 81 A F H << S+ 0 0 7 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.856 113.1 28.0 -60.2 -34.5 9.1 5.0 4.8 81 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 3,-0.5 0.966 111.6 37.1 -64.1 -56.3 5.6 7.4 9.0 84 85 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 113.8 60.2 -66.3 -29.3 6.5 11.0 8.2 85 86 A M H 3< S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.808 115.7 32.8 -63.0 -29.8 3.0 11.4 6.7 86 87 A N H << S+ 0 0 12 -4,-1.4 -1,-0.2 -3,-0.5 -3,-0.1 0.737 132.8 26.0 -98.6 -27.7 1.4 10.6 10.1 87 88 A F H < S+ 0 0 34 -4,-2.4 2,-0.9 -5,-0.2 -2,-0.2 0.585 93.7 91.2-115.0 -14.0 4.0 12.0 12.6 88 89 A L < + 0 0 22 -4,-2.3 2,-0.2 -5,-0.4 -1,-0.1 -0.767 54.4 175.2 -90.6 105.4 5.8 14.8 10.9 89 90 A K > - 0 0 150 -2,-0.9 3,-1.6 1,-0.1 2,-0.2 -0.627 40.6 -83.4-102.4 166.0 4.0 18.0 11.6 90 91 A E T 3 S+ 0 0 199 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.474 117.2 33.5 -70.6 138.4 4.9 21.6 10.7 91 92 A G T 3 S+ 0 0 53 1,-0.4 -1,-0.2 -2,-0.2 2,-0.2 0.102 108.0 91.0 101.7 -20.1 7.4 23.1 13.2 92 93 A Q < - 0 0 67 -3,-1.6 23,-0.5 50,-0.0 -1,-0.4 -0.585 64.2-139.4-106.7 171.0 9.0 19.7 13.7 93 94 A T E -c 142 0B 8 48,-1.5 50,-2.4 -2,-0.2 2,-0.8 -0.985 15.8-128.0-132.8 135.6 11.8 17.7 12.2 94 95 A A E -cd 144 116B 0 21,-3.1 23,-2.4 -2,-0.4 2,-0.5 -0.754 29.2-152.0 -85.0 110.5 12.1 14.0 11.4 95 96 A N E -cd 145 117B 0 49,-1.9 51,-3.0 -2,-0.8 2,-0.3 -0.763 14.7-172.6 -89.9 128.9 15.4 12.8 13.0 96 97 A Y E -cd 146 118B 2 21,-2.7 23,-2.5 -2,-0.5 24,-0.8 -0.889 22.9-141.7-122.8 146.1 17.2 9.9 11.4 97 98 A V E - d 0 120B 0 49,-1.9 2,-0.7 -2,-0.3 51,-0.3 -0.953 24.1-146.0-104.1 118.0 20.2 7.8 12.4 98 99 A M E + d 0 121B 14 22,-2.7 24,-1.6 -2,-0.6 25,-0.2 -0.824 41.6 141.9 -93.3 112.6 22.2 7.0 9.2 99 100 A T - 0 0 0 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.382 64.7 -47.2-128.1 -2.5 23.8 3.6 9.3 100 101 A G S > S- 0 0 2 1,-0.1 4,-2.0 53,-0.0 -1,-0.2 -0.988 85.9 -30.6 167.1-154.9 23.5 2.3 5.8 101 102 A S H > S+ 0 0 33 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.783 127.4 43.2 -67.8 -35.5 21.4 1.7 2.7 102 103 A W H > S+ 0 0 60 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.819 112.6 51.5 -82.5 -32.9 18.0 1.2 4.3 103 104 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.948 110.8 52.5 -65.2 -43.6 18.5 4.1 6.7 104 105 A S H X S+ 0 0 41 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.797 108.9 47.5 -61.7 -33.6 19.3 6.1 3.6 105 106 A K H X S+ 0 0 111 -4,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.796 109.6 54.0 -78.5 -28.7 16.2 5.1 1.8 106 107 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 -3,-0.3 3,-0.3 0.921 109.4 47.8 -68.7 -45.1 14.0 5.9 4.8 107 108 A L H X S+ 0 0 17 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.886 105.0 60.6 -62.8 -40.0 15.5 9.4 5.0 108 109 A K H < S+ 0 0 113 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.835 106.1 45.6 -56.9 -40.4 14.9 10.0 1.3 109 110 A E H >X S+ 0 0 74 -4,-1.1 3,-1.1 -3,-0.3 4,-0.5 0.866 106.0 61.6 -69.9 -40.0 11.1 9.5 1.6 110 111 A A H >X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.3 3,-1.5 0.849 95.6 59.5 -55.2 -39.9 11.0 11.7 4.6 111 112 A K H 3< S+ 0 0 126 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.755 96.6 61.6 -64.2 -25.0 12.3 14.8 2.8 112 113 A L H <4 S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.725 113.2 37.5 -70.9 -21.8 9.3 14.5 0.4 113 114 A I H << S- 0 0 70 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.767 124.0 -50.3-101.1 -37.2 7.1 15.1 3.4 114 115 A G S < S- 0 0 26 -4,-2.2 2,-0.3 -20,-0.0 -1,-0.2 -0.909 79.4 -21.3-171.2-157.4 8.9 17.6 5.6 115 116 A D - 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