==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAY-12 4F0B . COMPND 2 MOLECULE: THIOL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR C.DIDIERJEAN,F.FAVIER,T.RORET . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 0 0 0 1 1 2 2 2 2 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 5 A T 0 0 171 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.5 42.2 22.5 51.5 2 6 A D - 0 0 141 1,-0.1 31,-0.1 2,-0.0 32,-0.0 -0.352 360.0-175.1 -62.6 138.5 40.8 26.0 50.8 3 7 A K + 0 0 99 1,-0.1 32,-0.3 -2,-0.1 31,-0.2 -0.693 8.9 179.3-139.9 89.6 39.6 26.6 47.2 4 8 A P S S+ 0 0 48 0, 0.0 69,-1.9 0, 0.0 2,-0.4 0.570 70.8 59.9 -67.3 -17.8 38.5 30.2 46.6 5 9 A V E -aB 34 72A 0 28,-1.1 30,-2.2 67,-0.2 2,-0.5 -0.956 65.9-164.6-111.6 133.8 37.7 29.5 42.9 6 10 A V E -aB 35 71A 19 65,-2.2 65,-1.8 -2,-0.4 2,-0.6 -0.988 9.5-156.8-111.6 127.4 35.0 27.0 41.9 7 11 A H E -aB 36 70A 0 28,-3.4 30,-2.8 -2,-0.5 2,-0.7 -0.938 3.6-161.4-109.4 114.4 35.2 26.0 38.2 8 12 A Y E +aB 37 69A 31 61,-3.1 61,-1.8 -2,-0.6 2,-0.2 -0.857 40.7 132.7 -94.2 115.4 32.0 24.6 36.7 9 13 A T E -a 38 0A 0 28,-2.4 30,-3.2 -2,-0.7 7,-0.1 -0.824 45.1-145.5-152.2-178.5 33.1 22.8 33.6 10 14 A A - 0 0 3 -2,-0.2 2,-1.7 28,-0.2 210,-0.1 -0.949 47.8 -88.1-155.9 159.2 33.2 19.8 31.2 11 15 A P S S+ 0 0 52 0, 0.0 205,-0.0 0, 0.0 206,-0.0 -0.547 83.8 113.9 -79.9 88.0 36.0 18.3 29.0 12 16 A T S > S- 0 0 26 -2,-1.7 4,-2.4 204,-0.0 5,-0.2 -0.897 84.5 -89.1-149.6 165.5 35.4 20.5 25.9 13 17 A P T 4 S+ 0 0 17 0, 0.0 4,-0.3 0, 0.0 169,-0.1 0.780 130.0 36.6 -58.4 -26.4 37.2 23.2 23.9 14 18 A N T >4 S+ 0 0 46 167,-0.1 3,-0.8 2,-0.1 167,-0.1 0.850 113.8 55.3 -87.7 -43.2 35.6 25.8 26.1 15 19 A G T 3> S+ 0 0 0 1,-0.2 4,-0.6 2,-0.1 -1,-0.1 0.815 103.1 56.4 -59.4 -31.9 35.7 23.9 29.4 16 20 A W H 3X S+ 0 0 24 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.802 91.0 73.0 -71.3 -28.8 39.4 23.3 29.3 17 21 A V H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.3 -1,-0.2 0.877 94.5 44.6 -71.8 -39.5 40.5 26.9 29.0 18 22 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.877 113.7 53.5 -66.6 -31.2 39.9 28.4 32.5 19 23 A A H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.890 106.2 53.0 -67.4 -38.7 41.5 25.3 34.0 20 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.963 111.3 45.5 -58.1 -50.1 44.5 25.8 31.9 21 25 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.924 110.2 54.0 -61.2 -43.5 44.9 29.3 33.1 22 26 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.918 111.6 45.7 -56.5 -42.7 44.3 28.3 36.8 23 27 A E H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 110.9 52.1 -70.9 -34.5 47.1 25.8 36.5 24 28 A E H X S+ 0 0 6 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.930 112.5 46.8 -63.1 -41.2 49.4 28.3 34.7 25 29 A L H X>S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.6 0.927 109.6 53.1 -65.7 -44.8 48.8 30.7 37.6 26 30 A K H X5S+ 0 0 57 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.894 107.7 52.2 -57.7 -39.0 49.3 28.0 40.2 27 31 A A H <5S+ 0 0 81 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.816 119.7 33.5 -69.5 -30.4 52.7 27.2 38.7 28 32 A V H <5S+ 0 0 76 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.890 135.3 20.4 -88.9 -41.3 53.9 30.8 38.8 29 33 A Y H <5S- 0 0 65 -4,-3.2 -3,-0.2 2,-0.4 -2,-0.2 0.518 97.2-114.8-110.8 -13.5 52.2 32.1 42.0 30 34 A G S < - 0 0 143 1,-0.1 3,-1.6 2,-0.0 4,-0.3 -0.754 60.9-148.2 -94.8 129.5 23.7 16.8 27.6 43 47 A D G > S+ 0 0 127 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.820 98.7 66.7 -56.9 -32.4 20.1 17.7 26.8 44 48 A A G 3 S+ 0 0 66 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.730 99.5 52.2 -63.0 -20.9 19.2 14.0 27.6 45 49 A D G X> S+ 0 0 25 -3,-1.6 3,-2.4 3,-0.1 4,-1.5 0.499 75.6 131.4 -94.0 -5.4 20.2 14.7 31.3 46 50 A I T <4 S+ 0 0 81 -3,-1.4 4,-0.1 -4,-0.3 -3,-0.0 -0.252 84.5 0.7 -53.5 124.8 18.0 17.8 31.7 47 51 A G T 34 S+ 0 0 72 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.311 121.4 76.8 78.9 -7.7 16.1 17.4 35.0 48 52 A K T <4 S+ 0 0 177 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.783 90.2 48.3-101.2 -31.4 17.6 14.1 35.9 49 53 A V < - 0 0 60 -4,-1.5 -2,-0.3 1,-0.1 3,-0.2 -0.878 67.7-145.1-116.1 135.9 21.1 15.1 37.1 50 54 A H S S+ 0 0 128 -2,-0.4 2,-1.8 1,-0.2 5,-0.1 0.950 97.3 59.5 -65.8 -47.8 21.8 17.8 39.7 51 55 A N S S+ 0 0 57 -13,-0.1 -11,-3.0 3,-0.1 2,-0.3 -0.574 80.4 124.0 -84.0 79.9 25.1 18.9 38.0 52 56 A Q B > -d 40 0B 1 -2,-1.8 3,-2.1 -13,-0.2 6,-0.2 -0.995 68.3-121.2-144.4 138.3 23.5 19.8 34.6 53 57 A V T 3 S+ 0 0 7 -13,-2.2 9,-0.1 -2,-0.3 -12,-0.1 0.647 107.8 51.6 -65.7 -17.8 23.8 23.1 32.8 54 58 A K T 3 S+ 0 0 59 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.392 79.1 123.8 -97.0 3.9 20.0 23.9 32.6 55 59 A S X> - 0 0 22 -3,-2.1 4,-1.5 -5,-0.1 3,-0.7 -0.362 69.2-125.9 -64.4 137.9 19.4 23.3 36.4 56 60 A D H 3> S+ 0 0 122 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.882 107.7 57.5 -53.7 -42.8 17.9 26.3 38.0 57 61 A W H >4 S+ 0 0 64 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.888 107.9 48.4 -58.2 -34.5 20.6 26.6 40.7 58 62 A F H X> S+ 0 0 0 -3,-0.7 4,-3.0 -6,-0.2 3,-1.9 0.813 96.9 68.5 -78.1 -27.1 23.2 26.9 38.0 59 63 A L H 3< S+ 0 0 61 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 91.5 64.3 -63.1 -22.0 21.3 29.5 36.1 60 64 A K T << S+ 0 0 174 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.703 112.7 33.6 -69.3 -20.9 22.1 31.8 39.1 61 65 A I T <4 S+ 0 0 24 -3,-1.9 -2,-0.2 1,-0.3 9,-0.2 0.817 136.3 20.9 -99.6 -46.3 25.8 31.5 38.2 62 66 A C >< - 0 0 2 -4,-3.0 3,-2.2 1,-0.1 -1,-0.3 -0.902 64.0-168.1-127.0 101.3 25.6 31.3 34.4 63 67 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.737 87.6 62.1 -64.8 -18.6 22.3 32.7 33.1 64 68 A N T 3 S- 0 0 8 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.552 104.7-128.9 -79.4 -9.9 23.1 31.2 29.7 65 69 A G < + 0 0 0 -3,-2.2 2,-0.3 1,-0.2 -6,-0.1 0.930 68.2 111.2 62.2 45.9 23.0 27.6 31.1 66 70 A R - 0 0 117 -8,-0.1 -1,-0.2 2,-0.1 13,-0.1 -0.961 60.4 -79.2-144.1 155.3 26.4 26.6 29.6 67 71 A I S S+ 0 0 19 -2,-0.3 -58,-0.2 -3,-0.1 13,-0.1 -0.707 82.8 54.8 -95.7 160.2 29.9 25.8 30.9 68 72 A P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.579 61.3 142.1 -87.0 164.0 32.4 27.1 31.9 69 73 A A E -BC 8 78A 0 -61,-1.8 -61,-3.1 9,-0.2 2,-0.3 -0.972 25.7-157.5-146.9 158.4 31.6 29.4 34.7 70 74 A I E -BC 7 77A 0 7,-2.7 7,-2.5 -2,-0.3 2,-0.4 -0.923 9.5-150.6-128.3 159.1 33.4 30.2 37.9 71 75 A T E -BC 6 76A 19 -65,-1.8 -65,-2.2 -2,-0.3 2,-0.5 -0.990 9.9-166.0-117.7 144.0 32.7 31.6 41.3 72 76 A H E > S-BC 5 75A 17 3,-2.0 3,-2.4 -2,-0.4 -67,-0.2 -0.950 80.7 -27.3-130.2 111.0 35.3 33.5 43.2 73 77 A E T 3 S- 0 0 164 -69,-1.9 -1,-0.1 -2,-0.5 -68,-0.1 0.886 130.3 -48.5 45.5 41.0 34.5 34.0 46.8 74 78 A G T 3 S+ 0 0 61 -70,-0.2 -1,-0.3 1,-0.2 -69,-0.1 0.122 110.3 124.0 94.7 -20.3 30.9 33.8 45.6 75 79 A F E < -C 72 0A 29 -3,-2.4 -3,-2.0 1,-0.0 2,-0.2 -0.633 55.2-138.3 -78.5 123.6 31.2 36.3 42.6 76 80 A P E -C 71 0A 45 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.566 21.4-177.2 -89.1 144.3 30.1 34.5 39.4 77 81 A V E -C 70 0A 0 -7,-2.5 -7,-2.7 -2,-0.2 2,-0.3 -0.978 4.4-178.6-136.5 126.9 31.7 34.8 36.0 78 82 A F E +C 69 0A 4 -2,-0.4 -9,-0.2 -9,-0.2 259,-0.1 -0.778 44.0 61.6-120.1 167.7 30.5 33.2 32.8 79 83 A E S >> S- 0 0 26 -11,-0.9 4,-2.4 -2,-0.3 3,-0.6 0.759 77.8-113.1 79.2 114.3 31.8 33.1 29.2 80 84 A T H 3> S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.840 113.9 44.7 -33.9 -61.5 35.3 31.6 28.7 81 85 A S H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 112.5 51.1 -64.5 -35.0 37.0 34.8 27.6 82 86 A A H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.867 109.6 51.8 -68.7 -36.4 35.5 36.9 30.4 83 87 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.934 109.2 50.0 -63.7 -44.3 36.6 34.2 32.9 84 88 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.927 112.5 47.1 -60.2 -46.4 40.2 34.4 31.6 85 89 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.912 113.0 49.0 -62.1 -43.4 40.2 38.2 31.9 86 90 A Y H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.931 112.4 46.6 -61.3 -48.2 38.8 38.1 35.4 87 91 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.5 0.905 113.0 50.3 -65.2 -39.6 41.3 35.5 36.7 88 92 A A H X S+ 0 0 5 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.943 111.2 48.1 -60.8 -45.9 44.1 37.4 35.1 89 93 A Q H < S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.2 37.9 -63.3 -36.4 43.0 40.7 36.6 90 94 A H H < S+ 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.748 133.6 16.9 -88.4 -25.4 42.7 39.1 40.1 91 95 A F H < S+ 0 0 43 -4,-2.5 2,-1.2 -5,-0.2 3,-0.2 0.561 100.5 80.8-128.2 -12.9 45.6 36.7 40.1 92 96 A D >< + 0 0 3 -4,-2.2 3,-2.2 -5,-0.5 6,-0.1 -0.467 50.7 160.6 -98.4 65.7 48.2 37.5 37.5 93 97 A K T 3 S+ 0 0 143 -2,-1.2 -1,-0.2 1,-0.3 -5,-0.0 0.718 73.0 44.0 -65.3 -23.1 49.8 40.2 39.5 94 98 A E T 3 S- 0 0 153 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.250 109.3-120.0-102.9 11.2 53.1 40.2 37.5 95 99 A N < + 0 0 55 -3,-2.2 -2,-0.1 -7,-0.2 5,-0.1 0.914 59.5 150.3 52.7 50.0 51.3 40.0 34.1 96 100 A A S S+ 0 0 42 1,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.780 81.3 18.0 -78.0 -25.5 52.9 36.8 33.1 97 101 A F S S+ 0 0 10 -5,-0.1 77,-2.7 1,-0.1 2,-0.3 0.185 127.3 35.2-131.3 11.9 49.9 35.7 31.0 98 102 A S S S- 0 0 4 75,-0.2 2,-0.3 -6,-0.1 -1,-0.1 -0.985 72.9-111.1-165.2 159.7 48.0 39.0 30.4 99 103 A R - 0 0 39 -2,-0.3 -4,-0.1 8,-0.1 -3,-0.1 -0.818 31.6-118.6-106.6 146.4 48.4 42.7 29.8 100 104 A D > - 0 0 39 -2,-0.3 4,-2.3 1,-0.1 8,-0.3 -0.684 12.2-144.0 -85.0 130.7 47.4 45.4 32.3 101 105 A P T 4 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.792 97.7 41.1 -66.0 -27.4 44.7 47.8 31.1 102 106 A V T 4 S+ 0 0 97 2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.917 122.1 36.0 -85.9 -47.7 46.2 50.8 32.9 103 107 A K T 4 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.748 133.0 25.5 -79.5 -24.1 49.9 50.3 32.2 104 108 A D X + 0 0 66 -4,-2.3 4,-2.9 1,-0.1 5,-0.3 -0.520 64.5 162.6-139.9 67.2 49.5 48.9 28.7 105 109 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.876 80.1 48.8 -59.4 -35.9 46.3 50.2 27.1 106 110 A K H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.944 114.6 43.4 -68.5 -45.7 47.4 49.3 23.6 107 111 A G H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 113.4 52.1 -67.3 -37.5 48.5 45.8 24.5 108 112 A Y H X S+ 0 0 14 -4,-2.9 4,-2.6 -8,-0.3 -1,-0.2 0.934 109.4 50.4 -62.5 -45.0 45.4 45.2 26.6 109 113 A S H X S+ 0 0 5 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.941 109.4 50.7 -58.3 -44.5 43.3 46.3 23.6 110 114 A E H X S+ 0 0 66 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.905 108.9 51.5 -60.3 -41.3 45.1 43.9 21.3 111 115 A E H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.935 111.2 47.6 -59.2 -46.7 44.5 41.1 23.8 112 116 A L H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.911 109.4 54.4 -58.9 -42.3 40.8 42.0 23.9 113 117 A Q H X S+ 0 0 7 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.936 111.6 43.0 -61.0 -45.6 40.7 42.1 20.1 114 118 A W H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.878 114.1 51.1 -71.0 -32.6 42.1 38.6 19.7 115 119 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.943 113.1 45.4 -64.5 -46.8 39.9 37.2 22.5 116 120 A F H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.873 109.7 55.6 -65.4 -35.6 36.8 38.7 20.8 117 121 A F H X>S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 5,-0.7 0.924 113.5 40.9 -58.1 -48.2 38.0 37.4 17.4 118 122 A A H <>S+ 0 0 1 -4,-2.1 5,-2.8 3,-0.2 -2,-0.2 0.899 115.3 51.8 -64.5 -39.8 38.2 33.9 18.9 119 123 A H H <5S+ 0 0 10 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.782 122.0 29.4 -74.1 -29.7 34.9 34.3 20.8 120 124 A G H <5S+ 0 0 21 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.559 134.4 26.1-103.6 -11.9 32.9 35.5 17.8 121 125 A G T X5S+ 0 0 8 -4,-1.5 4,-2.7 -5,-0.3 5,-0.4 0.708 122.3 29.0-114.5 -82.6 34.8 33.6 15.1 122 126 A I H >XS+ 0 0 2 -5,-0.7 4,-2.6 1,-0.2 5,-0.5 0.923 121.9 45.9 -58.2 -50.7 36.7 30.4 15.9 123 127 A G H >5S+ 0 0 13 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.941 123.0 40.5 -62.5 -46.9 31.1 29.7 17.2 125 129 A M H X5S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 26,-0.2 0.926 117.5 45.1 -76.3 -38.5 32.1 28.6 13.7 126 130 A Q H X5S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.4 -1,-0.2 0.887 111.5 56.4 -70.3 -29.4 34.3 25.6 14.6 127 131 A G H XS+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 5,-1.2 0.926 110.6 53.3 -63.8 -41.5 31.6 20.1 14.9 131 135 A H H X>S+ 0 0 31 -4,-2.3 5,-2.9 3,-0.2 4,-1.3 0.975 117.8 34.0 -57.5 -53.4 27.8 20.1 15.1 132 136 A F H <5S+ 0 0 0 -4,-2.7 8,-0.3 1,-0.2 -2,-0.2 0.874 125.9 39.7 -73.3 -35.4 27.2 19.4 11.5 133 137 A N H <5S+ 0 0 46 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.812 132.4 16.6 -84.5 -29.5 30.2 17.1 10.9 134 138 A L H <5S+ 0 0 50 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.740 130.3 23.4-115.4 -34.3 30.2 15.1 14.1 135 139 A Y T <> - 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0 0 68 -3,-1.9 4,-2.1 -4,-0.2 3,-0.4 -0.483 67.6-141.6 -71.5 127.9 53.3 22.6 28.8 210 214 A P H > S+ 0 0 109 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.873 102.2 54.6 -54.7 -37.5 52.7 20.7 32.1 211 215 A A H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -188,-0.2 0.860 106.0 52.6 -66.5 -34.4 50.2 23.3 33.3 212 216 A V H > S+ 0 0 0 -3,-0.4 4,-2.8 -6,-0.2 5,-0.2 0.948 110.7 46.3 -62.7 -47.8 48.2 22.8 30.1 213 217 A Q H X S+ 0 0 62 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.921 112.7 51.0 -61.8 -42.2 48.1 19.0 30.6 214 218 A A H X S+ 0 0 38 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.912 111.7 47.5 -62.3 -41.8 47.1 19.5 34.3 215 219 A G H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.941 113.2 46.8 -64.7 -47.9 44.3 21.9 33.3 216 220 A I H >< S+ 0 0 10 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.947 112.4 50.3 -56.0 -48.1 42.9 19.6 30.6 217 221 A N H >< S+ 0 0 91 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.793 98.1 67.6 -65.2 -27.1 43.0 16.6 32.9 218 222 A S H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.697 91.9 62.8 -66.7 -18.5 41.2 18.5 35.7 219 223 A C T << 0 0 0 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.508 360.0 360.0 -84.8 -4.9 38.0 18.5 33.6 220 224 A N < 0 0 127 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.647 360.0 360.0 -84.2 360.0 37.7 14.7 33.5 221 !* 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 0.0 222 5 B T 0 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.9 42.3 68.3 9.7 223 6 B D - 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