==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-JUL-11 3SS7 . COMPND 2 MOLECULE: D-SERINE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.V.URUSOVA,M.N.ISUPOV,S.V.ANTONYUK,G.S.KACHALOVA,A.A.VAGIN, . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.2 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 0.2 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 2 2 2 2 1 1 1 0 2 1 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 3 2 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 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 6 X M > 0 0 99 0, 0.0 4,-1.6 0, 0.0 323,-0.0 0.000 360.0 360.0 360.0 -64.6 8.6 -8.5 -2.2 2 7 X N H > + 0 0 119 2,-0.2 4,-2.5 3,-0.1 5,-0.1 0.642 360.0 56.6 -78.8 -27.2 6.7 -7.9 -5.4 3 8 X S H > S+ 0 0 100 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.895 107.6 46.3 -62.1 -39.9 6.4 -11.7 -4.9 4 9 X L H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.930 110.5 51.5 -62.9 -52.1 4.9 -10.6 -1.5 5 10 X I H < S+ 0 0 34 -4,-1.6 -2,-0.2 1,-0.2 7,-0.2 0.888 105.5 56.7 -54.8 -42.4 2.6 -8.0 -3.1 6 11 X A H < S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.919 117.1 33.3 -57.8 -45.4 1.4 -10.6 -5.6 7 12 X Q H < S+ 0 0 131 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 129.2 37.8 -78.6 -28.4 0.3 -12.9 -2.7 8 13 X Y >< - 0 0 56 -4,-2.8 3,-2.2 -5,-0.1 4,-0.4 -0.759 63.2-176.3-129.0 84.4 -0.7 -10.1 -0.4 9 14 X P T >> S+ 0 0 86 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.741 79.4 71.8 -55.1 -25.1 -2.3 -7.2 -2.2 10 15 X L H >> S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.793 82.9 71.1 -58.4 -29.9 -2.5 -5.2 1.1 11 16 X V H <> S+ 0 0 1 -3,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.825 87.4 63.7 -61.0 -29.7 1.3 -4.8 0.9 12 17 X K H <> S+ 0 0 129 -3,-1.3 4,-2.2 -4,-0.4 -1,-0.2 0.906 102.3 49.5 -57.3 -42.5 0.8 -2.3 -2.1 13 18 X D H <<>S+ 0 0 62 -3,-0.6 5,-2.4 -4,-0.6 4,-0.3 0.890 110.0 51.3 -64.8 -40.4 -1.1 0.0 0.3 14 19 X L H ><5S+ 0 0 6 -4,-1.6 3,-1.5 2,-0.2 -2,-0.2 0.945 110.0 47.7 -61.3 -47.4 1.8 -0.2 2.8 15 20 X V H 3<5S+ 0 0 58 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.889 109.5 54.6 -61.9 -37.1 4.4 0.6 0.2 16 21 X A T 3<5S- 0 0 70 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.518 111.1-125.1 -72.4 -4.6 2.3 3.6 -0.9 17 22 X L T < 5 + 0 0 63 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.790 53.8 161.5 61.7 31.2 2.3 4.8 2.7 18 23 X K < - 0 0 114 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.647 52.7-103.9 -83.0 132.3 -1.5 4.8 2.6 19 24 X E - 0 0 63 -2,-0.4 2,-0.3 -3,-0.1 339,-0.1 -0.423 54.4-169.3 -56.5 124.8 -3.3 4.8 6.0 20 25 X T - 0 0 4 -2,-0.1 337,-2.7 2,-0.0 2,-0.4 -0.906 23.0-162.5-128.4 147.6 -4.3 1.2 6.2 21 26 X T E -A 356 0A 50 -2,-0.3 2,-0.5 335,-0.2 335,-0.2 -0.982 7.5-174.2-134.4 122.6 -6.6 -0.9 8.4 22 27 X W E -A 355 0A 44 333,-3.2 333,-2.3 -2,-0.4 2,-0.5 -0.955 10.2-156.7-121.3 115.5 -6.5 -4.7 8.6 23 28 X F E -A 354 0A 24 -2,-0.5 331,-0.3 331,-0.2 330,-0.1 -0.766 26.7-121.7 -87.3 127.4 -9.0 -6.7 10.6 24 29 X N > - 0 0 10 329,-2.1 3,-0.7 -2,-0.5 -1,-0.0 -0.570 21.3-167.9 -72.6 119.2 -7.7 -10.1 11.6 25 30 X P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 328,-0.1 0.523 79.7 66.2 -83.3 0.9 -10.0 -12.8 10.2 26 31 X G T 3 + 0 0 41 326,-0.2 326,-0.1 323,-0.1 2,-0.1 -0.019 64.5 136.8-114.8 25.1 -8.2 -15.4 12.3 27 32 X T < - 0 0 42 -3,-0.7 2,-0.3 326,-0.1 324,-0.2 -0.399 32.9-164.0 -70.0 155.9 -9.0 -14.4 15.9 28 33 X T - 0 0 27 322,-2.3 -2,-0.0 1,-0.1 -1,-0.0 -0.831 28.2 -82.3-129.7 170.1 -9.9 -17.2 18.3 29 34 X S > - 0 0 49 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.272 48.1-106.7 -62.1 163.7 -11.6 -17.6 21.7 30 35 X L H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.945 121.5 53.2 -60.2 -47.9 -9.3 -17.0 24.7 31 36 X A H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 260,-0.0 0.862 110.7 46.7 -54.9 -40.2 -9.3 -20.8 25.4 32 37 X E H 4 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.813 116.9 43.6 -74.6 -29.4 -8.2 -21.5 21.8 33 38 X G H >< S+ 0 0 1 -4,-2.0 3,-1.6 -3,-0.2 4,-0.4 0.754 92.6 80.6 -86.1 -26.1 -5.5 -18.9 21.8 34 39 X L G >X S+ 0 0 51 -4,-2.2 3,-1.5 1,-0.3 4,-0.7 0.834 83.3 60.3 -55.6 -41.7 -3.9 -19.4 25.2 35 40 X P G 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.787 103.3 54.1 -59.8 -19.9 -1.7 -22.4 24.3 36 41 X Y G <4 S+ 0 0 123 -3,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.543 91.9 71.6 -92.7 -11.1 0.2 -20.3 21.7 37 42 X V T <4 S- 0 0 11 -3,-1.5 -1,-0.2 -4,-0.4 3,-0.1 0.921 85.3-146.8 -69.3 -39.8 1.1 -17.5 24.1 38 43 X G S < S+ 0 0 64 -4,-0.7 2,-0.3 1,-0.3 -2,-0.1 0.472 70.9 79.8 81.5 4.8 3.7 -19.6 25.9 39 44 X L - 0 0 22 -5,-0.3 -1,-0.3 308,-0.1 2,-0.3 -0.959 65.1-149.9-138.3 160.2 2.9 -17.7 29.2 40 45 X T > - 0 0 71 -2,-0.3 4,-2.2 -3,-0.1 3,-0.4 -0.769 34.3-100.9-128.8 167.3 0.1 -18.1 31.7 41 46 X E H > S+ 0 0 102 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.864 122.5 58.2 -54.1 -38.7 -2.0 -16.3 34.2 42 47 X Q H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 104.8 50.1 -59.0 -41.5 0.2 -17.7 36.9 43 48 X D H > S+ 0 0 52 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.913 111.9 48.8 -59.0 -42.2 3.3 -16.0 35.2 44 49 X V H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.934 111.1 48.7 -66.1 -45.6 1.3 -12.8 35.1 45 50 X Q H X S+ 0 0 80 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.867 106.3 57.4 -65.4 -31.2 0.4 -13.2 38.8 46 51 X D H X S+ 0 0 72 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.884 106.3 50.4 -65.2 -33.0 4.0 -13.9 39.7 47 52 X A H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.903 110.0 48.7 -67.9 -46.4 4.8 -10.5 38.1 48 53 X H H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.941 112.8 49.0 -55.2 -44.9 2.1 -8.7 40.2 49 54 X A H X S+ 0 0 40 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 109.9 51.1 -68.4 -36.4 3.5 -10.5 43.3 50 55 X R H X S+ 0 0 56 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.928 109.9 48.6 -66.7 -43.4 7.1 -9.4 42.4 51 56 X L H X S+ 0 0 19 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.857 109.6 54.7 -64.0 -34.5 6.1 -5.8 42.0 52 57 X S H >< S+ 0 0 75 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.926 105.7 51.1 -61.1 -46.8 4.3 -6.1 45.4 53 58 X R H 3< S+ 0 0 58 -4,-2.4 88,-0.6 1,-0.2 4,-0.4 0.890 112.8 47.2 -58.5 -38.2 7.5 -7.3 47.0 54 59 X F H 3X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.585 86.3 92.2 -78.3 -12.5 9.3 -4.3 45.5 55 60 X A H S+ 0 0 46 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.869 114.0 49.7 -62.2 -30.7 8.3 -0.9 49.9 57 62 X Y H >> S+ 0 0 0 -4,-0.4 4,-3.2 -3,-0.2 3,-0.9 0.965 112.4 45.5 -65.2 -52.1 11.6 -0.5 48.1 58 63 X L H 3X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.3 7,-0.4 0.846 105.2 61.5 -59.8 -37.7 10.2 1.8 45.4 59 64 X A H 3< S+ 0 0 21 -4,-2.6 7,-0.3 -5,-0.3 -1,-0.3 0.815 117.6 30.7 -61.2 -31.3 8.3 3.9 47.9 60 65 X K H << S+ 0 0 117 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.805 119.9 50.8 -94.3 -40.1 11.7 4.8 49.4 61 66 X A H < S+ 0 0 7 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.864 126.1 26.1 -66.7 -39.5 13.9 4.7 46.4 62 67 X F S >< S- 0 0 2 -4,-2.8 3,-3.3 -5,-0.2 -1,-0.3 -0.821 72.2-169.7-125.7 85.1 11.6 6.9 44.3 63 68 X P G > S+ 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.715 80.0 78.1 -56.9 -18.7 9.7 9.1 46.9 64 69 X E G 3 S+ 0 0 117 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.743 96.6 49.8 -55.4 -21.1 7.4 10.2 44.0 65 70 X T G X >S+ 0 0 0 -3,-3.3 5,-2.8 -7,-0.4 3,-1.2 0.442 81.6 94.9 -98.8 -1.0 5.8 6.8 44.6 66 71 X A G X 5S+ 0 0 57 -3,-1.9 3,-2.0 -7,-0.3 -1,-0.2 0.890 80.2 57.4 -58.3 -40.2 5.4 7.0 48.4 67 72 X A G 3 5S+ 0 0 105 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.733 110.9 43.0 -68.1 -19.6 1.8 8.3 48.1 68 73 X T G X 5S- 0 0 83 -3,-1.2 3,-1.2 3,-0.1 -1,-0.3 0.171 118.7-110.1-106.5 15.6 0.9 5.2 46.1 69 74 X G T < 5S- 0 0 41 -3,-2.0 -3,-0.2 1,-0.3 -10,-0.2 0.772 75.6 -52.9 62.1 32.6 2.8 2.9 48.5 70 75 X G T 3 + 0 0 0 19,-2.5 4,-2.1 -2,-0.4 5,-0.1 -0.453 26.1 146.7-127.0 58.3 -12.1 12.2 27.2 80 85 X P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.776 73.4 57.9 -67.7 -29.4 -15.6 13.0 25.8 81 86 X A H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 108.6 45.9 -65.2 -43.3 -14.5 16.5 24.6 82 87 X M H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.893 109.4 57.0 -62.2 -38.4 -11.7 14.8 22.5 83 88 X Q H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.960 108.7 44.8 -55.4 -49.8 -14.4 12.3 21.3 84 89 X K H X S+ 0 0 151 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 113.0 51.5 -63.2 -40.0 -16.6 15.2 20.0 85 90 X R H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.931 110.2 47.9 -65.1 -42.4 -13.6 16.9 18.4 86 91 X L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 6,-0.3 0.911 110.1 52.8 -61.8 -41.4 -12.5 13.7 16.6 87 92 X E H X>S+ 0 0 51 -4,-2.3 4,-0.9 -5,-0.2 5,-0.5 0.918 113.7 44.1 -59.5 -42.9 -16.1 13.1 15.4 88 93 X K H <5S+ 0 0 136 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.939 116.5 44.9 -66.5 -49.2 -16.1 16.7 14.0 89 94 X E H <5S+ 0 0 67 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 126.4 27.4 -70.3 -38.7 -12.7 16.6 12.4 90 95 X Y H <5S- 0 0 82 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.340 96.2-131.2-108.8 4.1 -12.9 13.1 10.7 91 96 X Q T <5 + 0 0 171 -4,-0.9 -3,-0.2 -3,-0.3 -4,-0.1 0.836 68.6 118.1 49.9 43.4 -16.7 13.0 10.2 92 97 X Q < - 0 0 49 -5,-0.5 -2,-0.2 -6,-0.3 -1,-0.1 -0.955 63.0-127.7-137.2 115.8 -17.0 9.5 11.7 93 98 X P - 0 0 87 0, 0.0 2,-0.6 0, 0.0 -9,-0.1 -0.279 12.5-143.4 -57.0 145.6 -19.1 9.0 14.9 94 99 X I - 0 0 5 2,-0.1 4,-0.1 -11,-0.1 296,-0.1 -0.978 20.2-141.0-110.0 114.4 -17.5 7.1 17.8 95 100 X S - 0 0 35 -2,-0.6 315,-0.2 294,-0.2 319,-0.1 -0.272 60.3 -3.6 -66.9 159.5 -20.1 4.9 19.5 96 101 X G S S- 0 0 27 314,-0.2 2,-0.4 317,-0.1 317,-0.2 -0.232 108.8 -24.7 63.7-144.5 -20.1 4.6 23.3 97 102 X Q E - c 0 413A 101 315,-2.0 317,-3.1 -14,-0.0 2,-0.5 -0.921 48.7-144.4-118.9 136.4 -17.6 6.2 25.6 98 103 X L E + c 0 414A 2 -2,-0.4 -19,-2.5 315,-0.2 2,-0.3 -0.855 24.2 175.6-102.3 126.0 -14.0 7.3 24.9 99 104 X L E -Bc 78 415A 1 315,-3.1 317,-2.6 -2,-0.5 2,-0.4 -0.832 19.2-143.6-125.4 160.3 -11.4 6.9 27.6 100 105 X L E -Bc 77 416A 0 -23,-3.0 -23,-2.7 -2,-0.3 2,-0.6 -0.995 4.2-150.2-126.9 131.2 -7.7 7.4 27.8 101 106 X K E -Bc 76 417A 0 315,-2.6 317,-2.6 -2,-0.4 2,-1.6 -0.917 18.7-146.0 -99.7 115.9 -5.2 5.3 29.8 102 107 X K E > + c 0 418A 26 -27,-3.2 3,-2.5 -2,-0.6 -27,-0.4 -0.362 45.7 145.0 -89.2 58.5 -2.4 7.7 30.8 103 108 X D G > + 0 0 0 -2,-1.6 3,-1.4 315,-1.1 316,-0.2 0.725 69.8 75.0 -63.1 -15.6 0.7 5.5 30.7 104 109 X S G 3 S+ 0 0 0 314,-0.6 318,-2.3 -3,-0.3 317,-0.3 0.652 98.6 46.1 -58.7 -20.7 2.3 8.8 29.4 105 110 X H G < S+ 0 0 78 -3,-2.5 -1,-0.2 313,-0.2 -2,-0.2 0.073 76.8 135.0-117.6 21.7 2.0 9.8 33.1 106 111 X L <> - 0 0 4 -3,-1.4 4,-1.5 1,-0.1 -32,-0.1 -0.420 61.4-103.5 -64.3 146.3 3.4 6.7 34.9 107 112 X P T 4 S+ 0 0 27 0, 0.0 2,-2.3 0, 0.0 4,-0.3 -0.153 93.6 24.2 -65.9 170.4 5.8 7.8 37.7 108 113 X I T 4 S+ 0 0 7 1,-0.2 -2,-0.0 2,-0.1 -36,-0.0 -0.318 137.0 17.1 76.4 -53.7 9.6 7.6 37.5 109 114 X S T 4 S- 0 0 0 -2,-2.3 -1,-0.2 2,-0.2 314,-0.2 0.442 90.0-128.4-134.6 0.5 9.9 7.6 33.7 110 115 X G S < S+ 0 0 2 -4,-1.5 311,-1.1 312,-0.1 313,-0.5 0.830 72.8 77.1 62.5 33.4 6.7 8.9 32.2 111 116 X S B > S-G 420 0B 0 -4,-0.3 3,-2.4 309,-0.2 309,-0.3 -0.987 94.6 -90.1-160.4 170.8 6.0 6.2 29.7 112 117 X I T >> S+ 0 0 10 307,-2.5 3,-2.3 -2,-0.3 4,-0.8 0.763 116.0 73.9 -53.3 -24.2 4.7 2.6 29.1 113 118 X K H 3>>S+ 0 0 35 306,-0.4 5,-1.5 1,-0.3 4,-1.1 0.678 75.9 77.0 -68.1 -15.0 8.3 1.5 29.7 114 119 X A H <45S+ 0 0 3 -3,-2.4 -1,-0.3 -11,-0.2 -2,-0.2 0.588 100.5 45.4 -64.8 -14.3 7.8 2.3 33.4 115 120 X R H <>5S+ 0 0 13 -3,-2.3 4,-2.4 -4,-0.1 -2,-0.2 0.840 127.1 19.2 -86.3 -76.6 5.9 -1.1 33.3 116 121 X G H X5S+ 0 0 0 -4,-0.8 4,-2.5 2,-0.2 126,-0.2 0.863 127.3 47.9 -66.9 -46.4 8.1 -3.5 31.3 117 122 X G H X5S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -3,-0.2 0.941 115.6 43.7 -63.6 -49.8 11.5 -1.7 31.5 118 123 X I H >S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 6,-1.0 0.886 114.2 48.6 -68.5 -38.6 20.2 -11.0 45.3 130 135 X L H ><5S+ 0 0 54 -4,-2.9 3,-1.6 -5,-0.2 -1,-0.2 0.944 111.8 48.6 -61.3 -48.9 18.3 -14.3 45.9 131 136 X E H 3<5S+ 0 0 148 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.787 108.1 56.0 -66.0 -29.3 21.0 -16.4 44.2 132 137 X A T 3<5S- 0 0 52 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.487 111.7-121.5 -77.4 -6.9 23.7 -14.7 46.3 133 138 X G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.651 85.1 113.0 72.1 16.8 21.9 -15.7 49.5 134 139 X L S - 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