==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUN-11 3SIX . COMPND 2 MOLECULE: NODULATION FUCOSYLTRANSFERASE NODZ; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM SP.; . AUTHOR K.BRZEZINSKI,Z.DAUTER,M.JASKOLSKI . 292 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 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 . 1 0.3 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 0 0 2 0 0 0 1 0 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 3 A K 0 0 238 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.2 -13.1 65.3 -5.4 2 4 A E - 0 0 113 30,-0.1 2,-0.3 1,-0.0 30,-0.1 -0.492 360.0-171.1 -73.5 135.9 -9.9 63.2 -5.4 3 5 A R - 0 0 66 28,-0.3 30,-3.1 -2,-0.2 2,-0.3 -0.933 7.2-146.4-129.8 156.7 -8.8 62.1 -1.9 4 6 A F E -ab 33 123A 14 118,-2.6 120,-2.6 -2,-0.3 2,-0.4 -0.800 23.7-161.1-131.9 155.9 -5.6 60.4 -0.8 5 7 A V E -ab 34 124A 0 28,-2.1 30,-2.9 -2,-0.3 2,-0.5 -0.987 23.8-154.9-130.3 124.4 -3.6 58.0 1.4 6 8 A I E -ab 35 125A 15 118,-3.3 120,-3.2 -2,-0.4 2,-0.8 -0.902 1.4-156.6-105.9 127.5 0.1 58.5 1.5 7 9 A S E +ab 36 126A 1 28,-3.0 30,-2.2 -2,-0.5 2,-0.5 -0.894 16.9 179.8-104.5 104.6 2.3 55.7 2.3 8 10 A R E +a 37 0A 41 118,-3.4 120,-0.3 -2,-0.8 2,-0.3 -0.893 14.1 143.7-106.5 131.4 5.6 56.9 3.7 9 11 A R + 0 0 33 28,-0.9 32,-0.1 -2,-0.5 -2,-0.0 -0.916 20.2 176.8-163.9 144.6 8.4 54.5 4.8 10 12 A R + 0 0 78 -2,-0.3 32,-1.2 31,-0.1 3,-0.1 0.005 56.4 85.8-138.7 20.9 12.1 54.8 4.6 11 13 A T S S- 0 0 54 1,-0.3 32,-0.2 30,-0.1 31,-0.2 -0.151 90.0 -27.8-110.1-154.7 13.4 51.6 6.3 12 14 A G > - 0 0 32 1,-0.1 4,-2.4 -2,-0.1 3,-0.4 -0.165 63.7-112.7 -59.9 153.9 14.0 48.0 5.1 13 15 A F H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.770 112.8 60.3 -62.5 -32.0 11.9 46.8 2.2 14 16 A G H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 111.3 40.8 -61.8 -44.0 10.0 44.2 4.2 15 17 A D H > S+ 0 0 21 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.936 115.0 52.1 -67.1 -49.5 8.6 46.9 6.4 16 18 A C H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.886 114.5 42.3 -55.7 -42.6 8.1 49.4 3.5 17 19 A L H X S+ 0 0 2 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.827 114.7 48.2 -80.1 -33.0 6.0 46.8 1.6 18 20 A W H X S+ 0 0 8 -4,-2.1 4,-1.4 -5,-0.2 3,-0.2 0.965 114.5 48.0 -66.9 -48.7 4.0 45.4 4.5 19 21 A S H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.828 108.4 53.6 -56.4 -39.9 3.2 49.0 5.5 20 22 A L H X S+ 0 0 0 -4,-1.7 4,-3.7 -5,-0.3 5,-0.3 0.896 102.2 59.1 -61.8 -40.5 2.3 49.9 1.9 21 23 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.877 107.2 47.4 -61.9 -33.7 -0.2 47.0 2.0 22 24 A S H X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.941 112.5 48.1 -72.5 -43.2 -1.9 48.7 4.9 23 25 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.964 113.1 49.4 -54.6 -50.8 -2.0 52.0 3.1 24 26 A W H X S+ 0 0 16 -4,-3.7 4,-2.9 1,-0.2 5,-0.2 0.897 107.0 55.3 -56.1 -43.3 -3.4 50.3 0.1 25 27 A S H X S+ 0 0 36 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.884 108.8 45.4 -63.0 -39.9 -6.0 48.5 2.0 26 28 A Y H X S+ 0 0 3 -4,-1.6 4,-2.0 -3,-0.4 -1,-0.2 0.844 112.6 52.1 -71.3 -34.9 -7.5 51.7 3.5 27 29 A A H X>S+ 0 0 1 -4,-1.9 5,-2.1 2,-0.2 4,-0.9 0.905 112.2 46.5 -62.9 -45.0 -7.4 53.4 0.1 28 30 A Q H ><5S+ 0 0 104 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.954 113.4 48.7 -57.5 -52.9 -9.3 50.5 -1.4 29 31 A R H 3<5S+ 0 0 95 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.828 120.3 34.3 -63.2 -35.1 -11.8 50.5 1.4 30 32 A T H 3<5S- 0 0 20 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.308 108.8-108.5-109.9 10.4 -12.5 54.3 1.3 31 33 A G T <<5 + 0 0 59 -4,-0.9 -28,-0.3 -3,-0.7 2,-0.3 0.909 69.4 141.5 69.3 41.3 -12.2 55.1 -2.5 32 34 A R < - 0 0 4 -5,-2.1 2,-0.3 -6,-0.1 -28,-0.3 -0.798 55.8-107.3-112.4 158.0 -8.9 57.1 -2.3 33 35 A T E -a 4 0A 8 -30,-3.1 -28,-2.1 -2,-0.3 2,-0.5 -0.645 33.1-133.2 -78.5 137.8 -5.8 57.3 -4.5 34 36 A L E -ac 5 67A 0 32,-3.1 34,-2.2 -2,-0.3 2,-0.5 -0.840 17.2-162.4 -99.3 126.4 -2.7 55.6 -3.0 35 37 A V E -ac 6 68A 0 -30,-2.9 -28,-3.0 -2,-0.5 2,-0.8 -0.942 7.6-152.1-113.0 122.5 0.5 57.6 -3.1 36 38 A I E +a 7 0A 0 32,-3.1 2,-0.7 -2,-0.5 16,-0.2 -0.865 18.7 179.7 -96.0 108.5 3.8 55.7 -2.6 37 39 A D E +a 8 0A 4 -30,-2.2 -28,-0.9 -2,-0.8 32,-0.1 -0.859 16.9 158.4-116.6 95.3 6.2 58.2 -1.1 38 40 A W > + 0 0 1 -2,-0.7 3,-1.4 -30,-0.2 13,-0.7 -0.014 22.2 144.6-106.5 27.7 9.7 56.7 -0.4 39 41 A R B 3 +E 50 0B 58 1,-0.2 11,-0.2 11,-0.2 9,-0.2 -0.456 68.4 28.8 -60.0 134.2 11.6 60.0 -0.3 40 42 A G T 3 S+ 0 0 35 9,-0.5 -1,-0.2 6,-0.5 -30,-0.1 0.543 83.7 170.1 89.7 10.9 14.4 59.8 2.3 41 43 A S X - 0 0 6 -3,-1.4 3,-1.5 8,-0.3 -1,-0.2 -0.164 45.0-123.4 -50.1 145.4 14.9 56.0 1.9 42 44 A C T 3 S+ 0 0 85 -32,-1.2 -1,-0.1 1,-0.3 -31,-0.1 0.685 111.6 57.4 -65.3 -17.1 17.9 54.5 3.7 43 45 A Y T 3 S+ 0 0 43 -32,-0.2 2,-0.5 1,-0.1 198,-0.3 0.452 96.7 66.4 -92.4 -2.1 18.9 53.2 0.2 44 46 A V < - 0 0 11 -3,-1.5 -4,-0.1 1,-0.2 -1,-0.1 -0.948 63.7-154.8-128.5 115.6 19.0 56.5 -1.7 45 47 A E S S+ 0 0 121 -2,-0.5 -1,-0.2 189,-0.2 189,-0.0 0.890 76.7 77.2 -51.5 -48.0 21.6 59.2 -1.0 46 48 A Q S > S- 0 0 91 1,-0.1 3,-0.7 2,-0.1 -6,-0.5 -0.500 73.5-147.1 -76.7 132.2 19.5 62.2 -2.3 47 49 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.725 88.8 42.2 -79.7 -20.6 16.7 63.2 0.2 48 50 A F T 3 S+ 0 0 153 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.1 0.425 86.5 106.2-105.6 6.0 13.9 64.4 -2.0 49 51 A S S < S- 0 0 50 -3,-0.7 2,-0.5 -5,-0.1 -9,-0.5 -0.688 74.5-122.3 -88.4 130.1 14.1 61.7 -4.7 50 52 A N B -E 39 0B 7 -2,-0.4 4,-0.3 -11,-0.2 -11,-0.2 -0.582 19.2-158.1 -74.3 116.6 11.3 59.1 -4.5 51 53 A A S >> S+ 0 0 0 -13,-0.7 3,-1.0 -2,-0.5 4,-0.8 0.650 73.5 84.1 -70.6 -16.5 13.0 55.7 -4.1 52 54 A F H >> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 3,-1.4 0.949 93.3 44.3 -58.0 -51.9 10.1 53.5 -5.4 53 55 A P H 34 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.606 101.6 69.6 -63.6 -14.4 11.0 53.9 -9.2 54 56 A A H <4 S+ 0 0 34 -3,-1.0 -2,-0.2 -4,-0.3 -3,-0.1 0.789 120.8 15.0 -74.5 -23.7 14.7 53.3 -8.3 55 57 A F H << S+ 0 0 0 -3,-1.4 94,-2.2 -4,-0.8 2,-0.3 0.631 126.1 51.2-118.6 -22.1 13.8 49.7 -7.5 56 58 A F B < S-F 148 0C 0 -4,-2.8 92,-0.2 92,-0.2 -1,-0.1 -0.879 78.5-110.4-122.7 152.4 10.4 49.1 -9.1 57 59 A E - 0 0 60 90,-2.8 90,-0.3 -2,-0.3 -3,-0.1 -0.348 54.7 -77.9 -71.7 154.0 8.7 49.6 -12.4 58 60 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.207 47.9-168.8 -54.8 138.8 6.0 52.3 -12.7 59 61 A V + 0 0 14 -3,-0.1 10,-0.2 1,-0.1 3,-0.1 -0.992 20.2 171.5-133.3 128.6 2.6 51.4 -11.3 60 62 A E S S+ 0 0 128 -2,-0.4 7,-2.0 1,-0.3 2,-0.3 0.473 71.9 26.1-108.1 -5.0 -0.6 53.4 -11.9 61 63 A D E -G 66 0D 89 5,-0.3 2,-0.5 84,-0.2 -1,-0.3 -0.946 53.1-164.8-162.3 130.3 -3.2 51.0 -10.4 62 64 A I E > S-G 65 0D 0 3,-2.6 3,-2.1 -2,-0.3 80,-0.1 -0.937 79.7 -40.0-122.7 108.4 -3.2 48.2 -7.8 63 65 A A T 3 S- 0 0 51 -2,-0.5 -1,-0.1 1,-0.3 79,-0.0 0.879 127.1 -36.3 46.1 48.6 -6.3 46.0 -8.0 64 66 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.311 114.4 111.9 92.5 -8.0 -8.6 49.0 -8.6 65 67 A V E < -G 62 0D 5 -3,-2.1 -3,-2.6 -32,-0.0 -1,-0.2 -0.889 68.7-125.8 -99.9 120.1 -6.9 51.6 -6.5 66 68 A P E -G 61 0D 62 0, 0.0 -32,-3.1 0, 0.0 2,-0.4 -0.402 29.6-153.5 -64.0 146.8 -5.2 54.4 -8.5 67 69 A V E -c 34 0A 6 -7,-2.0 2,-0.5 -34,-0.2 -32,-0.2 -0.988 21.4-168.1-133.1 130.1 -1.5 54.8 -7.6 68 70 A I E +c 35 0A 12 -34,-2.2 -32,-3.1 -2,-0.4 -8,-0.1 -0.990 25.0 154.3-109.2 120.1 1.0 57.7 -7.7 69 71 A C + 0 0 3 -2,-0.5 2,-0.1 -34,-0.2 -31,-0.1 0.100 43.4 66.2-137.5 24.3 4.5 56.4 -7.2 70 72 A D S > S- 0 0 53 -18,-0.1 3,-1.5 -17,-0.1 4,-0.1 -0.380 103.0 -54.3-133.2-155.3 7.0 58.8 -8.8 71 73 A D G > S+ 0 0 77 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.552 105.3 94.2 -77.7 -2.5 8.5 62.2 -8.5 72 74 A R G >> + 0 0 92 1,-0.3 4,-2.6 2,-0.2 3,-1.6 0.765 68.8 76.1 -54.7 -22.9 5.0 63.7 -8.7 73 75 A V G <4 S+ 0 0 7 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.802 92.8 53.8 -58.9 -20.5 5.2 63.7 -4.9 74 76 A N G <4 S+ 0 0 64 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.532 117.0 32.8 -90.9 -10.1 7.4 66.7 -5.4 75 77 A Q T <4 S+ 0 0 121 -3,-1.6 -2,-0.2 -4,-0.3 2,-0.1 0.722 98.9 83.3-115.1 -33.0 5.0 68.8 -7.5 76 78 A L < - 0 0 82 -4,-2.6 2,-0.7 1,-0.1 0, 0.0 -0.458 63.9-145.7 -76.6 141.7 1.4 67.8 -6.3 77 79 A S - 0 0 117 -2,-0.1 -1,-0.1 -3,-0.0 -3,-0.1 -0.896 19.3-146.1-101.2 102.2 -0.1 69.6 -3.2 78 80 A F - 0 0 30 -2,-0.7 2,-0.2 -5,-0.1 45,-0.1 -0.474 25.3-113.3 -77.4 139.1 -2.2 66.9 -1.5 79 81 A P - 0 0 52 0, 0.0 -75,-0.2 0, 0.0 -1,-0.1 -0.431 38.7-113.9 -88.1 148.4 -5.3 68.4 0.1 80 82 A G S S+ 0 0 29 -2,-0.2 2,-0.2 42,-0.2 44,-0.1 -0.318 76.5 94.8 -92.5-177.0 -6.2 68.8 3.7 81 83 A P S S- 0 0 80 0, 0.0 42,-1.4 0, 0.0 41,-1.4 0.565 73.6-153.2 -62.6 163.3 -7.6 68.5 6.2 82 84 A F E -d 123 0A 58 -2,-0.2 42,-0.2 39,-0.2 6,-0.2 -0.772 3.5-116.1-112.2 155.6 -5.1 65.8 7.1 83 85 A F E S+d 124 0A 43 40,-1.7 42,-3.1 -2,-0.3 2,-0.2 -0.990 93.4 47.6-131.8 141.7 -5.1 62.7 9.3 84 86 A P S > S- 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.595 94.0-126.5 -57.1 162.5 -3.5 62.0 11.8 85 87 A R G > S+ 0 0 147 1,-0.3 3,-1.5 -2,-0.2 -3,-0.1 0.675 101.0 76.0 -70.8 -16.4 -4.2 65.5 13.1 86 88 A W G > S+ 0 0 12 1,-0.2 3,-2.2 2,-0.2 -1,-0.3 0.825 84.3 67.9 -52.7 -36.0 -0.5 66.4 13.6 87 89 A W G < S+ 0 0 64 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.630 88.8 64.8 -70.8 -9.7 -0.2 66.8 9.9 88 90 A N G < S+ 0 0 76 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.510 81.7 103.6 -83.0 -7.5 -2.5 69.9 10.1 89 91 A R S < S- 0 0 134 -3,-2.2 5,-0.1 -4,-0.1 -3,-0.0 -0.369 86.9 -88.7 -73.9 156.9 0.2 71.8 12.2 90 92 A P >> - 0 0 77 0, 0.0 3,-0.7 0, 0.0 4,-0.7 -0.206 40.3-113.3 -56.0 153.6 2.4 74.5 10.6 91 93 A S G >4 S+ 0 0 104 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.819 116.9 57.8 -66.5 -29.5 5.6 73.2 9.1 92 94 A I G >4 S+ 0 0 132 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.818 105.6 52.6 -67.1 -29.1 7.9 74.9 11.6 93 95 A D G <4 S+ 0 0 87 -3,-0.7 -1,-0.2 1,-0.2 3,-0.2 0.670 104.4 59.8 -76.5 -15.6 5.9 73.0 14.3 94 96 A C G << S+ 0 0 28 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.509 75.7 86.1 -95.3 -1.0 6.6 69.8 12.3 95 97 A I S < S+ 0 0 138 -3,-0.6 2,-0.7 -4,-0.5 -1,-0.2 0.950 82.5 69.4 -54.6 -48.5 10.5 69.8 12.4 96 98 A N + 0 0 122 -4,-0.3 -1,-0.1 -3,-0.2 0, 0.0 -0.642 58.4 154.2 -76.5 108.8 10.2 68.0 15.8 97 99 A R + 0 0 48 -2,-0.7 -1,-0.1 4,-0.0 -3,-0.1 -0.639 18.4 179.9-136.9 75.1 8.9 64.5 15.1 98 100 A P >> - 0 0 56 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.265 44.5-100.1 -76.4 167.4 10.1 62.2 17.9 99 101 A D H 3> S+ 0 0 109 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.860 120.4 62.6 -52.6 -40.3 9.4 58.5 18.3 100 102 A E H 3> S+ 0 0 169 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.860 107.1 44.4 -56.3 -34.8 6.6 59.2 20.8 101 103 A Q H <> S+ 0 0 21 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.902 111.4 51.9 -80.0 -38.4 4.7 61.0 18.0 102 104 A I H X S+ 0 0 31 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.957 111.8 47.4 -60.2 -47.9 5.4 58.4 15.4 103 105 A F H X S+ 0 0 100 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.849 108.3 54.2 -63.0 -38.2 4.1 55.6 17.7 104 106 A R H X S+ 0 0 104 -4,-1.6 4,-2.9 -5,-0.3 -1,-0.2 0.928 108.0 51.6 -55.5 -47.3 0.9 57.7 18.6 105 107 A E H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.866 105.8 53.4 -62.2 -36.5 0.3 58.0 14.9 106 108 A R H X S+ 0 0 71 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.960 113.7 44.0 -58.9 -49.7 0.6 54.1 14.4 107 109 A D H X S+ 0 0 87 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.874 114.5 48.9 -63.1 -41.2 -2.0 53.7 17.2 108 110 A E H X S+ 0 0 23 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.940 112.4 47.3 -67.3 -46.3 -4.3 56.5 15.8 109 111 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.902 110.5 53.8 -58.6 -42.5 -4.1 55.0 12.2 110 112 A T H X S+ 0 0 28 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.931 109.0 47.9 -57.5 -47.3 -4.9 51.5 13.7 111 113 A E H >X S+ 0 0 141 -4,-2.1 4,-1.1 1,-0.2 3,-1.0 0.961 112.1 50.7 -55.9 -50.9 -8.0 52.9 15.4 112 114 A L H 3< S+ 0 0 18 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.870 108.2 51.3 -57.6 -42.1 -9.0 54.6 12.2 113 115 A F H 3< S+ 0 0 34 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.715 111.8 47.5 -69.4 -22.2 -8.6 51.4 10.1 114 116 A Q H << S+ 0 0 174 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.611 93.9 101.0 -90.0 -15.4 -10.8 49.5 12.6 115 117 A A S < S- 0 0 43 -4,-1.1 -3,-0.0 -3,-0.5 -4,-0.0 -0.300 71.7-135.1 -74.7 156.9 -13.5 52.2 12.6 116 118 A R S S+ 0 0 236 2,-0.1 2,-0.4 1,-0.0 -1,-0.1 0.813 84.3 63.4 -79.1 -37.0 -16.7 51.8 10.7 117 119 A E S S- 0 0 156 1,-0.1 -2,-0.1 -5,-0.0 3,-0.1 -0.807 86.1-116.8 -97.6 132.4 -16.9 55.3 9.1 118 120 A D - 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