==== 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 03-APR-00 1EQB . COMPND 2 MOLECULE: SERINE HYDROXYMETHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.CONTESTABILE,S.ANGELACCIO,F.BOSSA,H.T.WRIGHT,N.SCARSDALE, . 1675 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1192 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 5.7 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 81 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 614 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 46 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 1 8 4 4 0 0 8 8 4 4 0 0 9 3 4 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 4 0 8 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 . 0 12 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 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 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 L 0 0 59 0, 0.0 4,-0.2 0, 0.0 832,-0.1 0.000 360.0 360.0 360.0 0.4 32.7 113.7 66.8 2 3 A K > - 0 0 33 1,-0.1 3,-1.3 2,-0.1 831,-0.0 0.891 360.0-134.9 47.0 116.2 34.0 115.5 63.6 3 4 A R T 3 S+ 0 0 104 831,-0.4 -1,-0.1 1,-0.3 830,-0.0 0.734 96.0 76.7 -65.7 -24.3 32.0 115.3 60.3 4 5 A E T 3 + 0 0 167 830,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.520 65.1 116.8 -69.0 -4.3 35.1 114.5 58.3 5 6 A M < + 0 0 42 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.0 -0.443 41.0 165.6 -66.5 135.1 35.1 110.9 59.5 6 7 A N - 0 0 45 -2,-0.1 4,-0.3 1,-0.1 453,-0.2 -0.962 45.3-117.5-148.3 164.2 34.7 108.5 56.5 7 8 A I S >> S+ 0 0 0 -2,-0.3 4,-3.7 1,-0.2 3,-1.7 0.906 98.6 70.3 -71.3 -45.5 35.0 104.9 55.6 8 9 A A T 34 S+ 0 0 36 1,-0.3 -1,-0.2 2,-0.2 7,-0.1 0.836 108.5 32.5 -41.2 -52.5 37.7 105.1 52.9 9 10 A D T 34 S+ 0 0 118 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.457 127.3 41.4 -89.1 -1.2 40.6 106.0 55.2 10 11 A Y T <4 S+ 0 0 40 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.2 0.715 125.1 22.9-115.4 -32.5 39.4 104.1 58.2 11 12 A D X + 0 0 4 -4,-3.7 4,-2.6 1,-0.1 3,-0.2 -0.529 60.6 172.4-140.5 70.2 38.0 100.8 56.9 12 13 A A H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.739 79.4 55.9 -48.4 -33.9 39.7 100.0 53.5 13 14 A E H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.974 111.3 40.7 -66.4 -55.4 38.2 96.5 53.4 14 15 A L H > S+ 0 0 0 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.889 117.7 50.8 -58.6 -40.4 34.6 97.7 53.8 15 16 A W H X S+ 0 0 78 -4,-2.6 4,-3.0 -8,-0.2 -1,-0.2 0.882 107.3 51.4 -66.0 -42.7 35.3 100.6 51.4 16 17 A Q H X S+ 0 0 122 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.929 112.4 46.1 -62.5 -45.0 36.8 98.4 48.7 17 18 A A H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.906 113.5 50.4 -63.6 -42.4 33.8 96.1 48.7 18 19 A M H X S+ 0 0 13 -4,-2.2 4,-1.9 -5,-0.2 3,-0.4 0.970 110.1 48.6 -60.6 -54.0 31.4 99.0 48.7 19 20 A E H X S+ 0 0 66 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.846 109.4 53.8 -54.9 -37.2 33.2 100.7 45.8 20 21 A Q H X S+ 0 0 66 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.895 106.4 50.9 -66.4 -38.5 33.1 97.4 43.8 21 22 A E H X S+ 0 0 1 -4,-1.9 4,-2.3 -3,-0.4 -1,-0.2 0.859 106.4 57.5 -63.8 -34.9 29.4 97.1 44.3 22 23 A K H < S+ 0 0 71 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.876 112.1 39.8 -63.0 -38.8 29.2 100.7 43.0 23 24 A V H >X S+ 0 0 69 -4,-1.5 4,-2.9 2,-0.2 3,-1.0 0.852 110.4 58.0 -79.3 -37.4 30.9 99.6 39.8 24 25 A R H 3X S+ 0 0 7 -4,-2.8 4,-1.4 1,-0.3 -2,-0.2 0.917 101.8 56.2 -58.4 -44.1 29.1 96.3 39.6 25 26 A Q H 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.2 5,-0.2 0.730 113.2 42.4 -61.9 -20.4 25.8 98.2 39.5 26 27 A E H <4 S+ 0 0 43 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.845 116.6 44.0 -92.8 -40.3 27.2 100.1 36.5 27 28 A E H < S+ 0 0 95 -4,-2.9 2,-0.4 2,-0.0 -2,-0.2 0.445 104.3 75.9 -86.4 0.5 28.8 97.2 34.6 28 29 A H S < S- 0 0 21 -4,-1.4 2,-0.9 -5,-0.2 313,-0.2 -0.889 72.8-134.7-116.4 145.7 25.8 94.8 35.0 29 30 A I E -a 341 0A 0 311,-2.6 313,-1.9 -2,-0.4 2,-0.6 -0.844 28.8-150.5 -92.5 103.8 22.4 94.6 33.4 30 31 A E E +a 342 0A 1 -2,-0.9 338,-0.6 -5,-0.2 337,-0.2 -0.684 28.7 164.9 -81.7 119.0 20.1 94.0 36.3 31 32 A L + 0 0 0 311,-3.6 333,-1.9 -2,-0.6 2,-0.8 0.052 28.8 129.6-119.8 23.6 17.0 92.0 35.3 32 33 A I > - 0 0 1 310,-0.2 3,-2.3 311,-0.2 335,-0.2 -0.735 54.1-145.0 -82.1 112.5 15.9 91.1 38.8 33 34 A A T 3 S+ 0 0 0 -2,-0.8 -1,-0.1 1,-0.3 332,-0.1 0.735 95.2 52.8 -49.3 -33.0 12.2 92.1 38.9 34 35 A S T 3 S+ 0 0 1 194,-0.1 -1,-0.3 330,-0.1 2,-0.2 0.457 99.2 80.7 -87.5 -0.0 12.3 93.1 42.6 35 36 A E < + 0 0 8 -3,-2.3 2,-0.3 437,-0.1 332,-0.2 -0.547 45.7 150.9-104.5 169.3 15.2 95.5 42.2 36 37 A N - 0 0 5 434,-0.6 2,-0.4 -2,-0.2 331,-0.1 -0.891 46.2 -91.8-168.5-166.3 15.6 99.0 41.0 37 38 A Y - 0 0 4 -2,-0.3 2,-0.0 329,-0.1 382,-0.0 -0.911 36.0-148.3-131.8 103.3 17.8 102.1 41.4 38 39 A T - 0 0 2 -2,-0.4 194,-0.1 194,-0.1 193,-0.1 -0.351 28.6 -98.1 -71.3 152.5 16.6 104.6 44.1 39 40 A S >> - 0 0 1 192,-0.5 4,-1.4 1,-0.1 3,-1.1 -0.255 27.3-113.4 -69.0 157.7 17.3 108.3 43.6 40 41 A P H 3> S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 385,-0.1 0.724 116.8 66.1 -62.0 -19.9 20.2 110.0 45.4 41 42 A R H 3> S+ 0 0 31 2,-0.2 4,-1.5 1,-0.2 384,-0.1 0.842 100.8 47.1 -69.1 -35.8 17.6 111.9 47.3 42 43 A V H <> S+ 0 0 0 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.848 113.0 48.6 -73.8 -35.5 16.4 108.7 49.0 43 44 A M H X S+ 0 0 16 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.905 107.0 56.5 -69.5 -40.3 20.0 107.7 49.8 44 45 A Q H < S+ 0 0 68 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.916 108.9 47.1 -55.6 -45.0 20.6 111.2 51.2 45 46 A A H >< S+ 0 0 0 -4,-1.5 3,-2.5 1,-0.2 5,-0.3 0.955 108.5 53.8 -61.4 -52.7 17.7 110.7 53.6 46 47 A Q H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.709 107.8 52.0 -57.9 -21.3 18.9 107.3 54.7 47 48 A G T 3< S+ 0 0 23 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.208 91.6 111.5-100.4 17.3 22.3 108.7 55.5 48 49 A S S X S- 0 0 18 -3,-2.5 3,-1.0 218,-0.1 218,-0.1 -0.210 84.6-103.3 -85.6 176.5 20.9 111.5 57.7 49 50 A Q G > S+ 0 0 19 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.467 101.5 93.5 -77.7 -0.9 21.0 112.1 61.4 50 51 A L G > + 0 0 3 -5,-0.3 3,-0.8 1,-0.3 216,-0.3 0.655 67.4 77.8 -65.6 -12.7 17.4 110.8 61.7 51 52 A T G < S+ 0 0 4 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.646 86.0 62.1 -70.1 -13.4 19.0 107.4 62.4 52 53 A N G < S+ 0 0 8 -3,-2.0 402,-0.5 401,-0.1 2,-0.3 0.732 83.8 93.5 -85.0 -23.7 19.7 108.7 66.0 53 54 A K < - 0 0 0 -3,-0.8 2,-0.5 -4,-0.3 212,-0.4 -0.559 58.6-153.6 -83.7 133.4 16.1 109.3 67.1 54 55 A Y + 0 0 10 -2,-0.3 210,-0.1 11,-0.2 399,-0.1 -0.890 23.2 166.8 -97.9 124.5 14.0 106.7 69.0 55 56 A A + 0 0 0 -2,-0.5 -1,-0.1 208,-0.3 2,-0.1 -0.376 5.7 176.4-140.2 61.5 10.3 107.4 68.2 56 57 A E + 0 0 0 206,-0.1 7,-1.9 6,-0.0 8,-0.3 -0.381 56.2 27.4 -67.5 145.5 8.0 104.6 69.3 57 58 A G E S-B 62 0B 3 204,-0.3 5,-0.3 5,-0.2 -2,-0.1 -0.717 99.4 -61.2 103.6-156.8 4.3 105.2 68.8 58 59 A Y E > -B 61 0B 42 3,-1.4 3,-2.4 -2,-0.3 13,-0.1 -0.859 67.2 -65.0-127.8 162.8 2.8 107.5 66.2 59 60 A P T 3 S+ 0 0 29 0, 0.0 9,-0.1 0, 0.0 -2,-0.0 -0.246 127.0 12.3 -49.5 118.6 3.1 111.3 65.5 60 61 A G T 3 S+ 0 0 62 7,-0.2 2,-0.2 -3,-0.0 8,-0.0 -0.057 124.9 63.4 104.0 -32.2 1.5 113.0 68.5 61 62 A K E < S+B 58 0B 132 -3,-2.4 -3,-1.4 2,-0.0 2,-0.1 -0.566 71.1 150.8-124.1 65.8 1.5 109.9 70.7 62 63 A R E -B 57 0B 18 -5,-0.3 -5,-0.2 -2,-0.2 -7,-0.1 -0.462 47.2-139.7 -93.2 167.9 5.1 108.9 71.1 63 64 A Y S S+ 0 0 28 -7,-1.9 2,-0.3 -2,-0.1 -6,-0.1 0.258 86.2 51.9-108.8 9.2 6.8 107.1 74.0 64 65 A F S S- 0 0 10 -8,-0.3 3,-0.3 698,-0.1 2,-0.2 -0.943 82.6-115.6-138.9 158.4 9.9 109.3 74.0 65 66 A G S S+ 0 0 10 696,-1.3 -11,-0.2 -2,-0.3 695,-0.1 -0.538 86.8 48.8 -94.3 163.6 10.5 113.1 74.0 66 67 A G + 0 0 5 -2,-0.2 3,-0.3 1,-0.1 4,-0.2 0.749 65.5 129.0 83.1 24.9 12.0 115.2 71.3 67 68 A C > + 0 0 6 -3,-0.3 4,-0.9 1,-0.2 -7,-0.2 -0.050 29.7 112.9-101.4 31.7 9.9 113.8 68.5 68 69 A E H > S+ 0 0 87 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.903 85.1 31.8 -69.9 -41.9 8.7 117.2 67.1 69 70 A Y H > S+ 0 0 60 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.809 116.5 53.7 -88.2 -31.0 10.6 117.0 63.8 70 71 A V H > S+ 0 0 0 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.772 105.8 58.7 -72.7 -24.1 10.5 113.2 63.2 71 72 A D H X S+ 0 0 28 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.864 105.0 48.2 -70.0 -37.0 6.7 113.6 63.7 72 73 A I H X S+ 0 0 67 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.934 111.9 50.8 -66.8 -45.3 6.7 116.0 60.8 73 74 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.935 111.0 45.9 -57.4 -52.5 8.7 113.6 58.7 74 75 A E H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.837 111.1 53.8 -62.0 -34.9 6.5 110.6 59.4 75 76 A Q H X S+ 0 0 76 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.893 105.6 53.6 -67.0 -40.7 3.3 112.7 58.7 76 77 A L H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.944 110.4 46.9 -58.3 -48.7 4.7 113.7 55.3 77 78 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.912 114.2 47.9 -60.6 -42.9 5.3 110.1 54.4 78 79 A I H X S+ 0 0 19 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.943 113.1 46.3 -64.4 -49.2 1.8 109.1 55.6 79 80 A D H X S+ 0 0 75 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.927 114.7 45.8 -60.9 -46.4 -0.0 112.0 53.8 80 81 A R H X S+ 0 0 30 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.906 110.6 54.9 -64.1 -40.4 1.8 111.4 50.5 81 82 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 6,-0.3 0.922 110.4 45.8 -58.0 -44.1 1.2 107.7 50.7 82 83 A K H X>S+ 0 0 62 -4,-2.1 4,-2.0 1,-0.2 5,-1.4 0.919 114.5 46.7 -66.5 -43.5 -2.5 108.3 51.1 83 84 A E H <5S+ 0 0 152 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 109.9 52.4 -68.4 -38.6 -2.7 110.8 48.3 84 85 A L H <5S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 124.2 27.0 -67.9 -30.7 -0.7 108.7 45.8 85 86 A F H <5S- 0 0 6 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.532 104.9-116.5-110.1 -7.9 -2.9 105.6 46.3 86 87 A G T <5 + 0 0 35 -4,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.796 64.2 141.6 78.5 29.7 -6.3 107.1 47.4 87 88 A A < - 0 0 11 -5,-1.4 -1,-0.2 -6,-0.3 154,-0.2 -0.633 49.1-151.5-100.7 160.2 -6.3 105.6 50.8 88 89 A D S S+ 0 0 77 152,-1.6 2,-0.3 -2,-0.2 153,-0.2 0.330 86.1 48.5-109.0 1.9 -7.6 107.2 54.0 89 90 A Y E +C 240 0C 14 151,-1.5 151,-1.8 -7,-0.1 2,-0.3 -0.997 61.6 166.2-143.5 136.7 -5.3 105.2 56.1 90 91 A A E -C 239 0C 8 -2,-0.3 2,-0.5 149,-0.2 149,-0.2 -0.987 17.8-161.8-153.2 139.1 -1.5 104.5 55.8 91 92 A N E +C 238 0C 2 147,-2.5 147,-2.3 -2,-0.3 -2,-0.0 -0.980 8.0 179.0-125.2 117.1 1.1 103.1 58.1 92 93 A V + 0 0 1 -2,-0.5 144,-0.1 145,-0.2 179,-0.1 0.266 60.2 84.5-101.8 10.9 4.7 103.9 57.1 93 94 A Q + 0 0 2 170,-0.1 171,-0.3 142,-0.1 -1,-0.2 0.740 50.4 116.6 -89.0 -22.8 6.6 102.2 59.9 94 95 A P - 0 0 0 0, 0.0 142,-2.2 0, 0.0 6,-0.1 -0.189 61.2-140.5 -48.8 131.1 6.9 98.5 58.8 95 96 A H S S- 0 0 6 140,-0.2 2,-0.3 1,-0.1 3,-0.1 0.690 73.6 -18.1 -68.5 -17.3 10.6 97.7 58.3 96 97 A S S > S- 0 0 10 139,-0.2 4,-2.2 1,-0.1 140,-0.2 -0.956 78.4 -79.5-169.5-177.2 9.9 95.7 55.2 97 98 A G H > S+ 0 0 12 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.912 125.3 51.8 -67.2 -42.7 7.3 93.8 53.1 98 99 A S H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.918 111.6 47.8 -59.0 -45.4 7.5 90.8 55.4 99 100 A Q H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 109.8 51.4 -64.6 -42.2 6.9 92.9 58.4 100 101 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.956 114.2 44.9 -59.5 -48.2 4.0 94.8 56.8 101 102 A N H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.920 108.6 56.0 -60.7 -45.6 2.4 91.4 56.0 102 103 A F H X S+ 0 0 11 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.879 106.1 52.8 -55.1 -38.5 3.1 90.0 59.4 103 104 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.949 106.6 51.1 -63.3 -49.3 1.2 92.9 60.9 104 105 A V H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 5,-0.2 0.888 111.3 49.3 -56.2 -41.6 -1.8 92.3 58.7 105 106 A Y H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-0.6 0.975 113.7 43.0 -60.6 -58.6 -1.9 88.7 59.8 106 107 A T H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.650 114.1 53.2 -64.8 -16.0 -1.6 89.3 63.5 107 108 A A H 3< S+ 0 0 14 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.757 122.6 24.3 -91.3 -25.0 -4.1 92.1 63.4 108 109 A L H << S+ 0 0 15 -4,-1.4 2,-0.3 -3,-0.6 -2,-0.2 0.623 117.1 52.3-113.9 -17.8 -6.9 90.2 61.6 109 110 A L < - 0 0 5 -4,-2.8 30,-0.0 -5,-0.2 3,-0.0 -0.785 63.2-134.2-123.5 166.2 -6.4 86.6 62.4 110 111 A E > - 0 0 123 -2,-0.3 3,-2.5 1,-0.1 -3,-0.0 -0.885 49.8 -84.5-112.1 143.6 -5.9 84.2 65.3 111 112 A P T 3 S+ 0 0 61 0, 0.0 28,-0.2 0, 0.0 27,-0.1 -0.232 119.5 26.7 -48.8 131.0 -3.1 81.5 65.2 112 113 A G T 3 S+ 0 0 47 26,-2.4 27,-0.2 1,-0.3 26,-0.0 0.333 85.8 139.5 97.4 -8.1 -4.6 78.6 63.3 113 114 A D < - 0 0 34 -3,-2.5 27,-2.5 25,-0.2 2,-0.3 -0.300 58.2-103.9 -67.0 157.0 -7.2 80.5 61.2 114 115 A T E -d 140 0C 33 51,-0.2 53,-2.1 25,-0.2 54,-1.0 -0.660 38.4-174.1 -86.9 136.6 -7.6 79.4 57.6 115 116 A V E -de 141 168C 0 25,-2.8 27,-3.1 -2,-0.3 2,-0.7 -0.988 19.2-146.7-132.6 139.9 -6.1 81.5 54.9 116 117 A L E +de 142 169C 1 52,-2.3 54,-3.5 -2,-0.4 2,-0.3 -0.921 35.9 159.9-106.8 110.5 -6.4 81.2 51.1 117 118 A G E -d 143 0C 1 25,-1.8 27,-1.0 -2,-0.7 2,-0.3 -0.936 44.9 -93.1-134.2 157.8 -3.2 82.3 49.5 118 119 A M E -d 144 0C 3 52,-0.3 27,-0.2 -2,-0.3 10,-0.1 -0.521 47.4-111.8 -73.2 127.1 -1.4 81.9 46.1 119 120 A N > - 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