==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-03 1UMY . COMPND 2 MOLECULE: BETAINE--HOMOCYSTEINE S-METHYLTRANSFERASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.GONZALEZ,M.A.PAJARES,J.SANZ-APARICIO . 1515 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 4 0.3 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 0.1 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 . 84 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 202 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 536 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 2.7 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 13 0 8 0 4 0 8 0 4 0 8 0 7 6 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 9 6 5 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 . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 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 10 A K 0 0 239 0, 0.0 2,-0.5 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 -69.5 24.7 4.3 30.0 2 11 A R - 0 0 71 4,-0.1 2,-0.0 1,-0.0 0, 0.0 -0.592 360.0-147.8 -80.6 124.6 24.7 6.3 26.7 3 12 A G > - 0 0 13 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.252 29.6 -98.5 -80.2 172.1 21.4 7.8 25.5 4 13 A I H > S+ 0 0 3 1,-0.2 4,-2.1 127,-0.2 5,-0.2 0.950 122.7 43.1 -55.6 -56.4 20.3 8.2 22.0 5 14 A L H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.845 113.0 53.9 -61.2 -34.8 21.3 11.9 21.7 6 15 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.984 107.3 49.8 -62.1 -56.5 24.6 11.3 23.5 7 16 A R H <>S+ 0 0 4 -4,-2.6 5,-2.0 1,-0.2 3,-0.2 0.898 114.6 44.6 -46.2 -52.0 25.6 8.5 21.1 8 17 A L H ><5S+ 0 0 5 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.906 112.9 50.8 -62.9 -42.7 24.8 10.7 18.1 9 18 A N H 3<5S+ 0 0 104 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.761 102.7 60.9 -67.7 -25.2 26.5 13.7 19.6 10 19 A A T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -3,-0.2 -2,-0.2 0.459 123.0-106.5 -79.9 0.8 29.6 11.6 20.3 11 20 A G T < 5S+ 0 0 56 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.446 72.5 149.7 87.9 0.1 29.8 11.1 16.5 12 21 A E < - 0 0 52 -5,-2.0 2,-0.6 -6,-0.3 -1,-0.2 -0.159 48.1-125.1 -65.7 158.9 28.6 7.5 16.9 13 22 A V - 0 0 6 -3,-0.1 2,-0.8 278,-0.1 259,-0.2 -0.937 19.8-145.3-109.5 113.1 26.6 5.6 14.3 14 23 A V E -a 272 0A 1 257,-2.3 259,-1.2 -2,-0.6 2,-0.5 -0.707 9.2-150.3 -83.3 110.6 23.4 4.2 15.7 15 24 A I E -a 273 0A 0 -2,-0.8 45,-4.0 43,-0.3 46,-0.6 -0.689 14.8-150.3 -81.3 123.1 22.6 0.8 14.1 16 25 A G - 0 0 0 257,-1.9 2,-0.1 -2,-0.5 46,-0.1 -0.323 15.1-109.6 -86.5 174.3 18.8 0.3 14.0 17 26 A D - 0 0 2 1,-0.2 258,-1.6 42,-0.1 -1,-0.1 -0.418 34.9-113.8 -95.7-179.9 17.0 -3.0 14.2 18 27 A G - 0 0 8 256,-0.2 2,-1.8 -2,-0.1 3,-0.2 0.075 48.3 -46.2-100.3-153.8 15.2 -4.7 11.3 19 28 A G > + 0 0 7 260,-1.1 4,-2.1 257,-0.6 259,-0.3 -0.510 53.7 171.0 -82.6 77.5 11.8 -5.8 10.1 20 29 A F H > S+ 0 0 15 -2,-1.8 4,-2.2 1,-0.2 5,-0.3 0.922 72.1 50.7 -51.0 -57.7 10.4 -7.5 13.2 21 30 A V H > S+ 0 0 38 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.889 112.7 44.7 -52.7 -46.6 6.9 -8.1 12.0 22 31 A F H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 110.8 54.5 -67.4 -37.6 7.8 -9.7 8.7 23 32 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.898 109.1 47.4 -64.0 -40.1 10.4 -11.9 10.3 24 33 A L H X>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 6,-0.8 0.804 106.9 58.1 -72.0 -28.3 7.9 -13.3 12.8 25 34 A E H ><5S+ 0 0 5 -4,-1.4 3,-0.8 -5,-0.3 -1,-0.2 0.924 107.8 45.8 -66.8 -41.9 5.4 -13.9 10.1 26 35 A K H 3<5S+ 0 0 29 -4,-1.9 638,-1.5 1,-0.2 -1,-0.2 0.733 113.3 51.4 -71.6 -21.4 7.9 -16.1 8.3 27 36 A R H 3<5S- 0 0 5 -4,-1.0 -1,-0.2 636,-0.2 -2,-0.2 0.507 121.0-107.7 -91.9 -7.2 8.6 -17.8 11.5 28 37 A G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.7 658,-0.2 0.750 92.0 97.6 90.4 27.9 4.9 -18.5 12.3 29 38 A Y S - 0 0 46 -2,-0.4 4,-2.1 5,-0.3 2,-0.3 -0.672 20.2-126.4 -83.8 131.3 -0.6 -13.5 11.0 32 41 A A T 4 S+ 0 0 3 654,-0.6 661,-0.1 -2,-0.4 -1,-0.0 -0.612 93.7 42.0 -75.4 134.8 -0.4 -11.4 7.8 33 42 A G T 4 S+ 0 0 16 -2,-0.3 -1,-0.2 661,-0.1 661,-0.1 -0.662 123.8 32.7 125.9 -74.2 -3.6 -9.3 7.6 34 43 A P T 4 S- 0 0 48 0, 0.0 -2,-0.2 0, 0.0 660,-0.0 0.859 84.1-161.8 -81.6 -31.8 -3.9 -8.1 11.1 35 44 A W < + 0 0 67 -4,-2.1 -3,-0.1 1,-0.2 -14,-0.0 0.800 29.1 164.4 57.6 34.5 -0.2 -8.0 11.7 36 45 A T - 0 0 33 -5,-0.3 -5,-0.3 1,-0.1 3,-0.2 -0.454 43.6-134.3 -87.5 156.3 -0.6 -7.9 15.5 37 46 A P > + 0 0 3 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.056 58.0 128.7 -93.8 24.1 1.9 -8.6 18.3 38 47 A E T >> + 0 0 40 1,-0.3 4,-1.6 2,-0.2 3,-1.0 0.548 59.6 80.1 -59.4 -2.8 -0.1 -10.9 20.6 39 48 A A H 3> + 0 0 0 1,-0.2 4,-3.1 -3,-0.2 8,-0.3 0.689 69.6 80.6 -76.5 -17.7 2.9 -13.3 20.5 40 49 A A H <4 S+ 0 0 2 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.749 112.6 21.9 -59.4 -21.5 4.7 -11.2 23.0 41 50 A V H <4 S+ 0 0 71 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.638 127.0 50.2-115.0 -28.0 2.5 -13.0 25.5 42 51 A E H < S+ 0 0 91 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.791 134.1 7.4 -81.5 -30.4 1.6 -16.2 23.5 43 52 A H >X + 0 0 31 -4,-3.1 4,-1.5 -5,-0.1 3,-1.1 -0.430 69.9 162.5-150.7 65.3 5.2 -17.0 22.6 44 53 A P H 3> S+ 0 0 40 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.879 74.2 63.4 -55.4 -40.6 7.6 -14.7 24.4 45 54 A E H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.835 103.5 50.2 -56.3 -31.6 10.6 -16.9 23.7 46 55 A A H <> S+ 0 0 1 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.969 111.5 45.1 -71.1 -54.0 10.1 -16.3 20.0 47 56 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 -8,-0.3 5,-0.2 0.920 114.8 51.6 -54.8 -42.8 9.9 -12.5 20.3 48 57 A R H X S+ 0 0 61 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.941 105.7 52.6 -61.2 -49.2 12.9 -12.7 22.7 49 58 A Q H X S+ 0 0 6 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.872 110.1 49.5 -56.8 -37.4 15.0 -14.8 20.3 50 59 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.948 108.6 50.0 -68.1 -50.5 14.5 -12.3 17.5 51 60 A H H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 112.8 50.3 -54.7 -37.8 15.3 -9.2 19.5 52 61 A R H X S+ 0 0 65 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.880 105.8 54.4 -69.5 -36.4 18.5 -11.1 20.5 53 62 A E H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.872 111.5 45.1 -65.4 -36.1 19.4 -12.0 17.0 54 63 A F H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-0.6 0.934 112.1 51.4 -71.5 -44.4 19.2 -8.3 16.0 55 64 A L H ><5S+ 0 0 25 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.904 110.8 49.0 -56.6 -42.9 21.2 -7.3 19.1 56 65 A R H 3<5S+ 0 0 25 -4,-2.8 245,-3.0 1,-0.3 246,-0.3 0.838 104.6 60.3 -65.8 -32.3 23.8 -9.9 18.1 57 66 A A H 3<5S- 0 0 2 -4,-1.4 231,-0.3 -5,-0.2 -1,-0.3 0.582 129.2 -93.4 -72.4 -10.8 23.8 -8.5 14.6 58 67 A G T <<5S+ 0 0 7 -3,-1.2 -43,-0.3 -4,-0.6 -3,-0.2 0.420 71.3 154.5 113.2 1.0 24.9 -5.1 15.9 59 68 A S < - 0 0 2 -5,-2.2 -1,-0.3 1,-0.1 -43,-0.2 -0.374 27.3-167.3 -64.3 136.7 21.6 -3.4 16.3 60 69 A N + 0 0 8 -45,-4.0 34,-2.9 1,-0.1 2,-0.4 0.445 68.5 63.4-103.5 -4.3 21.6 -0.6 18.9 61 70 A V E -b 94 0A 1 -46,-0.6 2,-0.8 32,-0.2 34,-0.2 -0.980 56.0-165.4-129.5 129.6 17.8 -0.2 19.1 62 71 A M E -b 95 0A 0 32,-2.6 34,-1.9 -2,-0.4 2,-0.4 -0.919 21.6-154.6-108.2 102.0 15.1 -2.7 20.2 63 72 A Q E -b 96 0A 24 -2,-0.8 34,-0.2 32,-0.2 32,-0.0 -0.649 28.5-102.6 -79.3 134.3 11.9 -1.2 19.0 64 73 A T - 0 0 13 32,-2.8 2,-1.3 -2,-0.4 34,-0.1 -0.274 19.4-133.3 -57.1 137.9 8.9 -2.3 21.0 65 74 A F + 0 0 10 12,-0.1 -25,-0.2 15,-0.1 -1,-0.2 -0.342 66.0 130.8 -87.7 53.2 6.9 -5.0 19.3 66 75 A T + 0 0 27 -2,-1.3 2,-0.2 14,-0.1 -28,-0.0 -0.287 32.5 174.8 -98.9-176.0 3.8 -3.0 20.2 67 76 A F - 0 0 65 6,-0.2 2,-0.6 -2,-0.1 -31,-0.1 -0.821 41.7 -59.9-164.5-158.5 0.8 -1.7 18.4 68 77 A Y - 0 0 82 -2,-0.2 2,-0.2 31,-0.0 6,-0.0 -0.917 44.1-147.0-112.8 118.5 -2.6 0.1 18.9 69 78 A A 0 0 19 -2,-0.6 52,-0.0 1,-0.1 0, 0.0 -0.508 360.0 360.0 -79.4 143.9 -5.1 -1.5 21.2 70 79 A S 0 0 161 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.919 360.0 360.0 -53.3 360.0 -8.9 -1.2 20.5 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 95 A S >> 0 0 91 0, 0.0 4,-1.7 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0 173.0 -6.0 -7.3 26.9 73 96 A G H 3> + 0 0 24 1,-0.3 4,-2.6 2,-0.2 -6,-0.2 0.771 360.0 63.8 -53.7 -22.0 -4.0 -5.8 24.0 74 97 A Q H 3> S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.884 98.2 50.7 -69.9 -38.9 -2.5 -3.6 26.8 75 98 A K H <> S+ 0 0 121 -3,-1.3 4,-3.4 2,-0.2 5,-0.2 0.899 109.7 54.0 -63.3 -38.8 -1.0 -6.6 28.5 76 99 A V H X S+ 0 0 14 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.989 108.2 46.9 -56.5 -62.7 0.5 -7.5 25.1 77 100 A N H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.855 115.2 46.7 -47.0 -44.2 2.1 -4.1 24.7 78 101 A E H X S+ 0 0 53 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 110.4 51.0 -68.0 -45.6 3.5 -4.2 28.2 79 102 A A H X S+ 0 0 24 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.883 111.9 51.0 -58.8 -37.0 4.8 -7.7 27.9 80 103 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.960 106.9 49.7 -65.1 -54.3 6.4 -6.6 24.7 81 104 A C H X S+ 0 0 3 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.879 111.8 52.0 -51.6 -41.2 8.2 -3.5 26.1 82 105 A D H X S+ 0 0 77 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.949 109.0 47.1 -61.7 -52.4 9.5 -5.7 28.9 83 106 A I H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.918 113.6 51.3 -56.0 -43.6 10.9 -8.3 26.5 84 107 A A H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.971 110.7 46.3 -57.0 -57.3 12.4 -5.5 24.6 85 108 A R H X S+ 0 0 62 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.869 109.6 55.8 -53.6 -43.4 14.0 -3.9 27.7 86 109 A Q H X S+ 0 0 78 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.943 114.1 38.1 -56.7 -50.4 15.4 -7.3 28.8 87 110 A V H >< S+ 0 0 0 -4,-2.2 3,-0.7 2,-0.2 4,-0.5 0.912 112.5 57.3 -69.9 -41.3 17.2 -7.9 25.6 88 111 A A H ><>S+ 0 0 0 -4,-3.3 3,-1.5 -5,-0.3 5,-0.8 0.920 105.1 53.2 -54.5 -42.4 18.2 -4.3 25.3 89 112 A D H 3<5S+ 0 0 108 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.803 95.9 67.8 -62.7 -30.6 19.9 -4.6 28.7 90 113 A E T <<5S+ 0 0 94 -4,-1.0 -1,-0.3 -3,-0.7 2,-0.2 0.612 113.7 13.7 -67.0 -10.9 21.8 -7.6 27.5 91 114 A G T < 5S- 0 0 34 -3,-1.5 2,-1.8 -4,-0.5 -35,-0.1 -0.737 102.8 -63.2-146.0-165.7 23.8 -5.4 25.1 92 115 A D T 5S+ 0 0 75 -2,-0.2 2,-0.3 -37,-0.1 -3,-0.1 -0.521 91.1 112.1 -86.4 70.0 24.9 -1.9 24.1 93 116 A A < - 0 0 11 -2,-1.8 2,-0.3 -5,-0.8 -32,-0.2 -0.962 54.5-141.2-145.1 161.8 21.3 -1.0 23.1 94 117 A L E -b 61 0A 9 -34,-2.9 -32,-2.6 -2,-0.3 2,-0.4 -0.753 22.6-121.5-116.3 163.2 18.3 1.2 23.9 95 118 A V E -b 62 0A 3 -2,-0.3 37,-1.0 -34,-0.2 36,-0.9 -0.840 26.0-164.4-104.5 143.9 14.6 0.6 23.8 96 119 A A E -bc 63 132A 1 -34,-1.9 -32,-2.8 -2,-0.4 2,-0.4 -0.996 9.7-147.4-134.6 134.1 12.4 2.7 21.7 97 120 A G E - c 0 133A 1 35,-1.8 37,-2.5 -2,-0.4 2,-0.3 -0.790 22.3-160.7 -97.3 138.2 8.6 3.1 21.7 98 121 A G E - c 0 134A 12 -2,-0.4 2,-0.3 35,-0.2 37,-0.2 -0.880 18.1-177.6-127.3 157.3 6.8 3.7 18.4 99 122 A V E + c 0 135A 4 35,-1.7 37,-1.8 -2,-0.3 2,-0.2 -0.971 14.5 179.4-141.8 151.3 3.5 5.1 17.1 100 123 A S - 0 0 47 -2,-0.3 37,-0.2 1,-0.2 38,-0.1 -0.820 39.0 -36.5-145.1-177.4 2.3 5.3 13.5 101 124 A Q - 0 0 53 36,-1.3 -1,-0.2 35,-0.4 3,-0.1 0.006 58.8-143.6 -40.4 146.2 -0.5 6.4 11.1 102 125 A T > - 0 0 8 1,-0.1 4,-1.2 -3,-0.1 3,-0.2 -0.884 20.2-130.0-122.8 151.0 -4.0 5.7 12.4 103 126 A P H > S+ 0 0 102 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.943 109.6 60.4 -58.2 -41.9 -7.2 4.6 10.8 104 127 A S H >4>S+ 0 0 21 2,-0.2 5,-1.0 1,-0.2 3,-0.9 0.879 94.9 59.0 -54.1 -42.9 -8.9 7.5 12.5 105 128 A Y H >45S+ 0 0 34 1,-0.3 3,-0.6 -3,-0.2 4,-0.4 0.978 108.1 47.4 -49.1 -59.5 -6.7 10.1 10.8 106 129 A L H 3<5S+ 0 0 104 -4,-1.2 -1,-0.3 1,-0.3 2,-0.3 0.706 103.3 62.6 -53.1 -22.8 -8.1 8.8 7.5 107 130 A S T <<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.1 -0.309 117.7-117.1 -98.1 48.8 -11.5 8.9 9.0 108 131 A C T < 5 + 0 0 123 -3,-0.6 -3,-0.2 -2,-0.3 -2,-0.2 0.668 55.9 164.6 14.0 67.9 -11.0 12.7 9.3 109 132 A K < - 0 0 87 -5,-1.0 4,-0.5 -4,-0.4 5,-0.2 0.276 43.2-103.8 -93.8 6.7 -11.2 12.4 13.1 110 133 A S >> - 0 0 58 -5,-0.2 4,-1.9 3,-0.2 3,-0.5 0.728 27.1 -94.6 76.0 126.7 -9.8 15.8 14.3 111 134 A E H 3> S+ 0 0 88 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.638 122.2 54.6 -40.6 -29.3 -6.4 16.6 15.7 112 135 A T H 3> S+ 0 0 83 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.975 111.6 39.4 -73.9 -58.6 -7.8 16.3 19.2 113 136 A E H X> S+ 0 0 105 -3,-0.5 3,-1.0 -4,-0.5 4,-1.0 0.954 119.8 45.6 -55.2 -57.9 -9.3 12.8 18.9 114 137 A V H >X S+ 0 0 1 -4,-1.9 4,-1.1 1,-0.3 3,-1.0 0.900 109.0 56.5 -53.2 -47.3 -6.4 11.4 16.9 115 138 A K H 3X S+ 0 0 31 -4,-1.3 4,-1.3 -5,-0.4 -1,-0.3 0.788 96.9 64.3 -58.5 -28.7 -3.8 13.0 19.2 116 139 A K H X S+ 0 0 100 -4,-2.1 4,-2.9 1,-0.2 3,-0.6 0.933 102.5 44.6 -46.3 -60.7 1.5 6.3 28.6 124 147 A V H 3X S+ 0 0 12 -4,-0.8 4,-1.9 1,-0.3 -1,-0.2 0.927 112.6 52.4 -52.0 -49.1 2.8 2.7 28.4 125 148 A F H 3<>S+ 0 0 4 -4,-1.8 5,-1.8 1,-0.2 -1,-0.3 0.832 110.1 49.3 -58.0 -33.1 6.0 4.0 27.0 126 149 A M H X<5S+ 0 0 68 -4,-2.4 3,-0.9 -3,-0.6 -2,-0.2 0.961 110.7 50.0 -68.5 -51.3 6.3 6.4 29.9 127 150 A K H 3<5S+ 0 0 133 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.734 110.7 49.1 -59.1 -28.1 5.6 3.7 32.4 128 151 A K T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.393 107.4-121.8-112.0 52.1 8.2 1.3 31.0 129 152 A N T < 5 - 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