==== 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 26-OCT-09 3KEW . COMPND 2 MOLECULE: DHHA1 DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR Y.PATSKOVSKY,R.TORO,M.GILMORE,S.MILLER,J.M.SAUDER,S.C.ALMO, . 458 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 31.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 . 50 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 4 8 2 6 0 2 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 . 2 2 2 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 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 1 A L 0 0 118 0, 0.0 2,-0.3 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 168.8 8.7 6.9 63.0 2 2 A T E -a 34 0A 67 31,-2.0 33,-2.1 1,-0.1 2,-0.7 -0.456 360.0-169.6 -87.8 130.5 7.7 8.8 59.8 3 3 A K E > -a 35 0A 64 -2,-0.3 3,-1.2 31,-0.2 4,-0.2 -0.850 8.5-179.0-111.3 94.7 7.6 7.5 56.2 4 4 A L G >> S+ 0 0 23 31,-2.5 4,-2.9 -2,-0.7 3,-2.0 0.786 71.6 72.4 -65.6 -32.5 7.1 10.6 54.1 5 5 A Y G 34 S+ 0 0 4 30,-0.8 -1,-0.3 1,-0.3 31,-0.1 0.709 101.0 46.1 -56.9 -26.7 7.0 8.7 50.7 6 6 A Y G <4 S+ 0 0 41 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.439 115.4 47.1 -93.5 -4.1 3.5 7.5 51.7 7 7 A E T <4 S- 0 0 139 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.825 135.2 -0.3 -99.6 -48.8 2.4 10.9 52.8 8 8 A D >< - 0 0 57 -4,-2.9 3,-1.4 3,-0.1 -1,-0.2 -0.852 61.5-167.8-144.3 106.0 3.6 13.0 49.9 9 9 A Q T 3 S+ 0 0 14 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.544 84.4 63.6 -73.5 -7.6 5.4 11.1 47.1 10 10 A Y T 3 + 0 0 70 188,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.445 69.6 114.9 -97.3 -2.4 6.6 14.4 45.5 11 11 A I < + 0 0 45 -3,-1.4 3,-0.1 -7,-0.2 -3,-0.1 -0.582 30.9 164.5 -66.9 118.8 8.8 15.4 48.5 12 12 A K + 0 0 103 -2,-0.5 72,-2.8 1,-0.3 2,-0.3 0.537 62.4 40.3-114.6 -15.2 12.3 15.3 47.1 13 13 A E E +B 83 0B 105 70,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.996 69.2 154.2-132.9 142.5 14.1 17.4 49.9 14 14 A F E -B 82 0B 14 68,-2.8 68,-2.9 -2,-0.3 2,-0.4 -0.955 40.7-102.5-158.4 168.9 13.5 17.2 53.6 15 15 A K E +B 81 0B 82 -2,-0.3 2,-0.3 66,-0.2 66,-0.2 -0.846 41.9 175.7-102.8 134.5 15.0 17.7 57.1 16 16 A G E -B 80 0B 3 64,-1.8 64,-2.8 -2,-0.4 2,-0.4 -0.963 25.0-146.3-141.2 157.6 16.0 14.7 59.1 17 17 A E - 0 0 67 -2,-0.3 16,-1.7 62,-0.2 2,-0.5 -0.994 25.8-125.3-125.9 125.3 17.7 13.7 62.4 18 18 A I E +C 32 0B 12 59,-1.8 14,-0.3 -2,-0.4 3,-0.1 -0.582 28.0 178.3 -70.1 119.7 19.9 10.6 62.6 19 19 A I E + 0 0 87 12,-2.1 2,-0.3 -2,-0.5 13,-0.2 0.704 65.6 15.3 -97.1 -26.6 18.4 8.4 65.5 20 20 A E E -C 31 0B 60 11,-0.9 11,-1.7 2,-0.0 2,-0.4 -0.993 57.4-163.1-150.3 143.0 20.9 5.5 65.3 21 21 A V E +C 30 0B 62 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 10.1 176.5-128.8 123.6 24.3 4.8 63.7 22 22 A K E -C 29 0B 118 7,-1.9 7,-2.8 -2,-0.4 2,-0.7 -0.984 21.0-145.4-123.2 120.7 25.7 1.3 63.2 23 23 A E E +C 28 0B 128 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.754 20.2 179.4 -82.8 115.0 29.1 0.7 61.4 24 24 A I E > -C 27 0B 71 3,-2.6 3,-1.4 -2,-0.7 -2,-0.0 -0.943 64.9 -45.3-122.5 107.2 28.9 -2.5 59.4 25 25 A D T 3 S- 0 0 142 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.861 123.1 -26.4 23.6 84.3 32.2 -3.2 57.5 26 26 A G T 3 S+ 0 0 55 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.065 122.9 86.9 89.6 -23.6 33.1 0.2 56.0 27 27 A K E < -C 24 0B 101 -3,-1.4 -3,-2.6 46,-0.0 2,-0.7 -0.805 68.9-133.1-117.8 152.7 29.5 1.6 55.7 28 28 A F E -CD 23 70B 22 42,-2.8 42,-2.6 -2,-0.3 2,-0.7 -0.878 13.4-157.6-114.2 104.2 27.3 3.5 58.2 29 29 A H E -CD 22 69B 27 -7,-2.8 -7,-1.9 -2,-0.7 2,-0.3 -0.706 21.5-172.8 -82.9 110.2 23.7 2.2 58.5 30 30 A V E -CD 21 68B 0 38,-3.3 38,-2.9 -2,-0.7 2,-0.3 -0.823 20.3-150.9-112.6 146.1 21.6 5.1 59.9 31 31 A L E -CD 20 67B 3 -11,-1.7 -12,-2.1 -2,-0.3 -11,-0.9 -0.819 18.7-154.0-102.5 150.3 18.0 5.4 61.1 32 32 A L E -C 18 0B 5 34,-0.5 -14,-0.2 -2,-0.3 34,-0.2 -0.893 24.3-128.2-124.3 153.8 16.1 8.8 60.7 33 33 A D S S+ 0 0 55 -16,-1.7 -31,-2.0 -2,-0.3 2,-0.3 0.888 101.1 5.9 -65.1 -39.7 13.3 10.4 62.6 34 34 A Q E S-a 2 0A 60 -33,-0.2 2,-0.4 -17,-0.1 -1,-0.3 -0.993 76.1-170.1-142.4 141.9 11.4 10.9 59.2 35 35 A T E -a 3 0A 6 -33,-2.1 -31,-2.5 -2,-0.3 -30,-0.8 -0.996 29.6-173.6-140.1 142.3 12.4 9.7 55.8 36 36 A A + 0 0 0 -2,-0.4 2,-0.7 -32,-0.2 -1,-0.1 0.247 61.3 113.9-104.4 5.2 11.3 10.2 52.1 37 37 A F - 0 0 0 10,-0.1 -32,-0.1 29,-0.1 9,-0.1 -0.727 64.0-141.8 -80.1 113.2 13.7 7.5 51.0 38 38 A F - 0 0 2 -2,-0.7 9,-3.2 1,-0.1 3,-0.1 -0.620 6.3-157.9 -71.7 128.4 11.7 4.6 49.7 39 39 A P - 0 0 17 0, 0.0 7,-0.4 0, 0.0 22,-0.2 0.623 53.2 -88.7 -78.0 -15.2 13.3 1.2 50.7 40 40 A G + 0 0 26 5,-0.3 5,-0.2 154,-0.1 2,-0.2 -0.374 55.4 167.2 115.9 157.2 11.5 -0.7 47.9 41 41 A G B > +H 44 0C 24 3,-2.1 3,-1.8 -2,-0.2 155,-0.2 -0.687 54.0 25.0 160.6 144.1 8.2 -2.5 47.6 42 42 A G T 3 S- 0 0 35 1,-0.3 153,-0.1 -2,-0.2 3,-0.1 0.685 131.6 -51.5 60.4 21.9 5.6 -4.0 45.2 43 43 A G T 3 S+ 0 0 54 1,-0.3 76,-0.4 151,-0.1 2,-0.3 0.230 111.5 123.0 100.6 -10.9 8.4 -4.7 42.7 44 44 A Q B < -H 41 0C 10 -3,-1.8 -3,-2.1 1,-0.1 -1,-0.3 -0.681 61.0-119.5 -93.0 137.2 9.7 -1.2 42.7 45 45 A M - 0 0 125 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.215 28.9-108.8 -69.0 159.6 13.3 -0.4 43.6 46 46 A G - 0 0 12 -7,-0.4 -1,-0.1 13,-0.2 2,-0.1 -0.309 36.2 -90.2 -87.2 173.9 14.4 1.8 46.6 47 47 A D - 0 0 5 -9,-3.2 2,-0.2 -2,-0.1 -1,-0.1 -0.271 27.8-168.9 -85.7 163.3 15.9 5.3 46.6 48 48 A L + 0 0 48 37,-0.3 37,-2.2 10,-0.1 2,-0.3 -0.775 33.1 101.0-130.7-179.7 19.4 6.8 46.6 49 49 A G E -EF 56 84B 15 7,-1.1 7,-2.8 35,-0.3 2,-0.4 -1.000 62.6 -41.0 145.8-143.3 20.7 10.3 47.2 50 50 A L E -EF 55 83B 58 33,-2.8 33,-2.3 -2,-0.3 2,-0.4 -0.986 23.9-170.9-134.2 138.1 22.3 12.4 50.0 51 51 A I E > S-EF 54 82B 0 3,-2.6 3,-2.0 -2,-0.4 31,-0.2 -0.983 91.0 -20.1-122.4 115.0 22.0 12.8 53.7 52 52 A D T 3 S- 0 0 65 29,-2.4 30,-0.1 -2,-0.4 24,-0.1 0.867 126.7 -55.5 52.6 42.0 24.1 15.8 54.9 53 53 A G T 3 S+ 0 0 62 28,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.421 114.2 120.3 74.9 -2.5 26.1 15.7 51.7 54 54 A I E < S-E 51 0B 20 -3,-2.0 -3,-2.6 18,-0.1 -1,-0.2 -0.841 70.0-113.1 -96.3 127.5 27.0 12.0 52.4 55 55 A K E -E 50 0B 103 -2,-0.5 16,-1.6 -5,-0.2 2,-0.6 -0.390 16.8-138.1 -70.8 128.8 25.8 9.7 49.6 56 56 A V E +EG 49 70B 4 -7,-2.8 -7,-1.1 14,-0.2 14,-0.2 -0.764 22.8 178.9 -81.5 120.7 23.1 7.1 50.4 57 57 A L E + 0 0 69 12,-3.2 2,-0.3 -2,-0.6 -1,-0.1 0.668 63.4 7.9 -99.5 -24.4 24.2 3.9 48.8 58 58 A D E - G 0 69B 84 11,-0.8 11,-3.0 2,-0.0 2,-0.4 -0.981 54.8-161.4-157.9 146.8 21.3 1.6 49.8 59 59 A V E + G 0 68B 5 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 21.8 162.7-133.0 130.3 18.0 1.9 51.6 60 60 A Y E - G 0 67B 57 7,-1.9 7,-3.2 -2,-0.4 2,-0.5 -0.951 31.3-126.8-140.6 162.1 16.2 -1.1 53.1 61 61 A E E + G 0 66B 90 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.951 23.5 178.0-113.1 130.9 13.4 -1.8 55.6 62 62 A E E > S- G 0 65B 99 3,-2.7 3,-0.8 -2,-0.5 -2,-0.0 -0.970 71.6 -18.1-135.5 118.8 13.9 -4.1 58.6 63 63 A E T 3 S- 0 0 184 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.858 130.0 -47.2 54.4 44.4 11.2 -4.7 61.2 64 64 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.593 116.9 113.4 78.7 13.4 9.2 -1.6 60.1 65 65 A K E < - G 0 62B 89 -3,-0.8 -3,-2.7 -34,-0.0 2,-0.6 -0.969 61.3-137.1-125.4 131.8 12.3 0.6 60.1 66 66 A V E - G 0 61B 6 -2,-0.4 -34,-0.5 -5,-0.2 2,-0.4 -0.754 22.0-163.3 -91.0 117.8 13.9 2.3 57.1 67 67 A Y E -DG 31 60B 26 -7,-3.2 -7,-1.9 -2,-0.6 2,-0.5 -0.856 5.7-153.0-106.8 136.1 17.8 2.1 57.2 68 68 A H E -DG 30 59B 0 -38,-2.9 -38,-3.3 -2,-0.4 2,-0.8 -0.912 8.3-145.3-112.0 122.8 20.1 4.2 55.1 69 69 A V E -DG 29 58B 7 -11,-3.0 -12,-3.2 -2,-0.5 -11,-0.8 -0.788 20.6-166.6 -90.0 111.0 23.5 2.9 54.2 70 70 A L E -DG 28 56B 0 -42,-2.6 -42,-2.8 -2,-0.8 -14,-0.2 -0.797 20.8-146.2-101.0 141.4 25.9 5.9 54.1 71 71 A E S S+ 0 0 78 -16,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.733 82.9 40.7 -78.8 -21.9 29.4 5.7 52.6 72 72 A K S S- 0 0 133 -17,-0.2 -44,-0.2 -44,-0.1 -2,-0.1 -0.816 95.0 -90.1-123.7 164.2 31.0 8.1 55.1 73 73 A E - 0 0 104 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.573 40.7-122.8 -75.1 127.7 30.7 8.7 58.9 74 74 A P + 0 0 12 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.458 31.8 172.9 -63.6 140.0 28.1 11.2 60.0 75 75 A K + 0 0 157 1,-0.4 2,-0.1 -2,-0.1 -2,-0.0 0.671 68.8 41.8-107.5 -75.7 29.4 14.1 62.1 76 76 A K + 0 0 124 1,-0.1 -1,-0.4 -24,-0.1 3,-0.0 -0.457 63.7 178.6 -66.6 142.1 26.4 16.4 62.5 77 77 A L + 0 0 84 -2,-0.1 -59,-1.8 -3,-0.1 2,-0.3 0.467 49.1 74.3-131.4 -1.5 23.2 14.5 63.3 78 78 A K S S+ 0 0 129 -61,-0.2 -61,-0.2 1,-0.2 -1,-0.0 -0.873 99.4 5.2-114.2 149.1 20.4 17.1 63.8 79 79 A N S S- 0 0 112 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.887 83.9-180.0 54.0 48.8 18.5 19.2 61.3 80 80 A L E -B 16 0B 1 -64,-2.8 -64,-1.8 -3,-0.2 2,-0.7 -0.615 32.4-121.4 -88.3 138.7 20.2 17.6 58.3 81 81 A Q E -B 15 0B 71 -2,-0.3 -29,-2.4 -66,-0.2 -28,-0.5 -0.702 36.1-175.5 -73.4 114.3 19.6 18.5 54.7 82 82 A C E -BF 14 51B 0 -68,-2.9 -68,-2.8 -2,-0.7 2,-0.4 -0.969 3.7-179.8-118.4 127.4 18.4 15.3 53.0 83 83 A E E -BF 13 50B 68 -33,-2.3 -33,-2.8 -2,-0.5 -70,-0.2 -0.987 18.9-134.4-133.6 134.6 17.7 15.0 49.3 84 84 A L E - F 0 49B 15 -72,-2.8 2,-1.2 -2,-0.4 -35,-0.3 -0.435 28.9-112.6 -75.8 149.9 16.6 12.2 47.0 85 85 A D > - 0 0 67 -37,-2.2 4,-1.7 1,-0.2 -37,-0.3 -0.811 42.3-170.3 -71.0 97.9 18.0 11.3 43.6 86 86 A W H > S+ 0 0 42 -2,-1.2 4,-2.9 2,-0.2 5,-0.3 0.803 74.7 60.0 -72.5 -30.9 14.8 12.5 42.1 87 87 A E H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 109.4 43.4 -61.8 -46.2 15.5 11.1 38.6 88 88 A R H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 115.6 50.0 -61.9 -45.5 15.8 7.6 39.9 89 89 A R H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.949 113.8 42.7 -56.3 -58.0 12.7 8.1 42.1 90 90 A F H X S+ 0 0 29 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.844 108.8 58.6 -66.2 -38.2 10.5 9.4 39.3 91 91 A D H X S+ 0 0 17 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.950 110.5 43.4 -53.3 -52.1 11.7 6.9 36.7 92 92 A G H X S+ 0 0 20 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.843 111.0 55.2 -63.1 -37.8 10.5 4.1 39.0 93 93 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.926 110.8 45.8 -58.6 -47.0 7.3 5.9 39.8 94 94 A Q H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.900 111.7 49.9 -65.2 -45.0 6.5 6.2 36.0 95 95 A Q H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.852 112.6 48.1 -63.7 -35.6 7.4 2.5 35.2 96 96 A H H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.934 115.5 41.3 -72.8 -49.9 5.2 1.2 38.0 97 97 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.880 110.6 61.2 -63.9 -38.1 2.1 3.3 37.2 98 98 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 105.5 46.7 -50.1 -47.8 2.8 2.5 33.5 99 99 A Q H X S+ 0 0 9 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.929 112.5 48.9 -58.8 -50.1 2.3 -1.2 34.3 100 100 A H H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.864 111.7 50.5 -57.8 -42.0 -0.9 -0.5 36.2 101 101 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.941 112.8 44.0 -62.4 -50.8 -2.2 1.7 33.4 102 102 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.927 113.3 51.8 -60.2 -47.9 -1.5 -0.9 30.7 103 103 A S H X S+ 0 0 9 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.906 111.8 47.4 -55.0 -44.9 -2.9 -3.7 32.8 104 104 A G H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.814 112.3 49.4 -68.4 -35.0 -6.1 -1.7 33.4 105 105 A C H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.911 108.6 52.5 -70.3 -45.7 -6.4 -0.9 29.7 106 106 A F H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 6,-1.7 0.888 115.7 41.1 -55.7 -41.6 -6.0 -4.5 28.7 107 107 A Y H X S+ 0 0 93 -4,-1.8 4,-1.4 4,-0.3 -2,-0.2 0.890 115.8 49.0 -73.3 -43.6 -8.8 -5.5 31.1 108 108 A D H < S+ 0 0 96 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.914 122.3 32.7 -63.8 -43.7 -11.1 -2.6 30.3 109 109 A L H < S+ 0 0 66 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.934 139.6 10.3 -78.3 -49.3 -10.8 -3.1 26.5 110 110 A F H < S- 0 0 75 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.399 91.1-115.6-118.0 -1.4 -10.5 -6.9 26.1 111 111 A G < + 0 0 43 -4,-1.4 2,-0.4 -5,-0.3 -4,-0.3 0.679 62.1 156.4 68.7 19.1 -11.1 -8.5 29.5 112 112 A A - 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