==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LIGASE 05-JUN-09 3A2Z . COMPND 2 MOLECULE: BIFUNCTIONAL GLUTATHIONYLSPERMIDINE SYNTHETASE/AM . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-H.PAI,T.-P.KO,B.-Y.CHIANG,C.-H.LIN,A.H.-J.WANG . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 1 0.5 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 . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 9.5 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+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 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 7 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 . 2 1 0 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 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 8 A Q 0 0 205 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.7 33.7 26.3 12.2 2 9 A D - 0 0 104 144,-0.2 144,-0.3 1,-0.1 142,-0.0 -0.321 360.0-135.5 -66.7 145.5 33.9 25.7 8.4 3 10 A A - 0 0 13 142,-3.1 19,-0.3 1,-0.1 3,-0.1 -0.636 28.4 -84.1-100.8 160.0 37.1 24.2 7.0 4 11 A P > - 0 0 98 0, 0.0 3,-2.0 0, 0.0 16,-0.3 -0.176 67.2 -70.7 -58.2 156.1 39.2 25.2 3.9 5 12 A F T 3 S+ 0 0 51 17,-0.5 16,-0.2 1,-0.3 18,-0.1 -0.095 120.8 17.2 -49.0 134.2 38.1 23.9 0.5 6 13 A G T 3 S+ 0 0 26 14,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.480 84.1 149.3 82.3 1.5 38.7 20.1 0.3 7 14 A T < - 0 0 45 -3,-2.0 13,-2.3 138,-0.1 2,-0.4 -0.527 54.0-114.6 -72.3 135.2 39.2 19.4 3.9 8 15 A L E +A 19 0A 73 -2,-0.2 11,-0.2 11,-0.2 -1,-0.1 -0.533 36.1 177.2 -67.1 120.8 38.1 15.9 5.0 9 16 A L E - 0 0 7 9,-3.3 139,-2.7 -2,-0.4 2,-0.3 0.675 53.9 -68.5-100.2 -18.1 35.2 16.4 7.4 10 17 A G E -A 18 0A 14 8,-1.0 8,-2.7 137,-0.2 -1,-0.4 -0.982 54.7 -76.0 157.5-166.3 34.3 12.8 8.0 11 18 A Y E -A 17 0A 110 141,-0.4 6,-0.2 -2,-0.3 3,-0.1 -0.983 20.8-143.0-134.3 142.8 33.0 9.7 6.4 12 19 A A E >> -A 16 0A 0 4,-3.1 4,-1.5 -2,-0.4 3,-1.4 -0.522 57.6 -61.0 -87.6 168.6 29.7 8.4 5.3 13 20 A P T 34 S+ 0 0 38 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.147 126.4 33.9 -52.8 140.9 28.9 4.6 5.6 14 21 A G T 34 S- 0 0 64 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.501 131.2 -76.1 89.6 2.5 31.2 2.4 3.7 15 22 A G T <4 S+ 0 0 46 -3,-1.4 2,-0.7 1,-0.2 -1,-0.2 0.830 78.1 160.6 75.3 36.4 34.1 4.7 4.3 16 23 A V E < -A 12 0A 0 -4,-1.5 -4,-3.1 -3,-0.2 -1,-0.2 -0.817 37.7-126.8 -95.7 113.5 33.1 7.4 1.7 17 24 A A E -A 11 0A 6 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.3 -0.277 13.2-151.6 -63.1 143.8 34.8 10.7 2.4 18 25 A I E -A 10 0A 0 -8,-2.7 -9,-3.3 -6,-0.0 -8,-1.0 -0.972 18.8-165.3-114.4 122.8 32.9 13.9 2.9 19 26 A Y E -A 8 0A 62 -2,-0.5 123,-0.5 -11,-0.2 -11,-0.2 -0.809 25.3-104.0-111.0 150.9 34.9 17.0 1.9 20 27 A S - 0 0 0 -13,-2.3 -14,-2.6 -2,-0.3 125,-0.1 -0.454 25.4-164.5 -66.7 143.2 34.4 20.7 2.6 21 28 A S + 0 0 0 -16,-0.2 2,-0.9 -2,-0.1 -16,-0.1 0.267 37.2 137.3-115.4 11.4 33.1 22.6 -0.5 22 29 A D + 0 0 52 -19,-0.3 -17,-0.5 1,-0.2 3,-0.3 -0.430 14.4 162.3 -64.5 101.5 33.7 26.2 0.6 23 30 A Y > + 0 0 89 -2,-0.9 3,-1.2 1,-0.2 -1,-0.2 -0.064 33.1 119.6-110.6 33.9 35.1 27.7 -2.6 24 31 A S T 3 S+ 0 0 92 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.735 75.7 46.5 -71.2 -23.3 34.5 31.3 -1.4 25 32 A S T 3 S+ 0 0 117 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.191 98.3 92.3-103.1 14.0 38.2 32.3 -1.6 26 33 A L S < S- 0 0 57 -3,-1.2 -3,-0.0 1,-0.0 3,-0.0 -0.803 89.1 -97.2-109.2 152.7 38.8 30.7 -5.0 27 34 A D > - 0 0 90 -2,-0.3 4,-4.2 1,-0.2 5,-0.3 -0.543 28.1-149.2 -69.2 115.0 38.5 32.3 -8.4 28 35 A P H > S+ 0 0 88 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.853 98.8 50.8 -50.9 -42.7 35.0 31.5 -9.8 29 36 A Q H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.960 116.8 40.0 -58.7 -54.7 36.4 31.5 -13.3 30 37 A E H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 111.8 56.7 -63.1 -43.0 39.2 29.2 -12.3 31 38 A Y H < S+ 0 0 1 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.906 112.5 42.5 -60.3 -39.4 37.0 27.1 -10.1 32 39 A E H < S+ 0 0 112 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.864 124.4 32.9 -75.9 -33.0 34.7 26.4 -13.0 33 40 A D H < S+ 0 0 111 -4,-1.9 2,-0.2 -5,-0.2 -2,-0.2 0.804 89.0 96.7 -97.4 -31.9 37.3 25.8 -15.7 34 41 A D >< - 0 0 55 -4,-2.6 3,-1.9 -5,-0.2 4,-0.0 -0.394 63.7-140.4 -70.5 133.2 40.4 24.2 -14.2 35 42 A A G > S+ 0 0 62 1,-0.3 3,-1.9 -2,-0.2 -1,-0.1 0.656 95.2 78.0 -62.9 -18.0 40.8 20.4 -14.3 36 43 A V G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.570 88.5 60.3 -66.8 -11.9 42.2 20.3 -10.8 37 44 A F G < S+ 0 0 24 -3,-1.9 12,-3.1 -7,-0.1 2,-0.6 0.294 82.5 99.7 -99.7 12.9 38.6 20.6 -9.7 38 45 A R E < -B 48 0B 131 -3,-1.9 2,-0.5 10,-0.2 10,-0.2 -0.855 63.6-147.1-102.0 123.6 37.5 17.4 -11.4 39 46 A S E +B 47 0B 6 8,-3.0 7,-3.0 -2,-0.6 8,-1.3 -0.773 22.8 171.3 -92.5 128.9 37.1 14.4 -9.1 40 47 A Y E -B 45 0B 107 -2,-0.5 2,-0.4 5,-0.3 5,-0.2 -0.911 24.3-158.9-129.2 154.8 37.9 10.9 -10.5 41 48 A I E > S-B 44 0B 35 3,-2.2 3,-2.1 -2,-0.3 -2,-0.0 -0.948 83.7 -28.0-132.7 112.2 38.3 7.5 -8.9 42 49 A D T 3 S- 0 0 146 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.894 126.4 -42.4 44.0 66.5 40.4 5.3 -11.2 43 50 A D T 3 S+ 0 0 161 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.367 113.7 117.8 68.6 -5.3 39.5 6.9 -14.6 44 51 A E E < -B 41 0B 41 -3,-2.1 -3,-2.2 1,-0.0 2,-0.4 -0.859 65.8-130.3 -97.9 124.3 35.9 7.2 -13.6 45 52 A Y E +B 40 0B 74 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.543 28.0 175.7 -74.8 122.7 34.6 10.8 -13.4 46 53 A M E - 0 0 0 -7,-3.0 2,-0.3 -2,-0.4 11,-0.2 0.799 46.0 -95.3 -95.8 -37.3 32.8 11.5 -10.1 47 54 A G E -B 39 0B 2 -8,-1.3 -8,-3.0 10,-0.1 2,-0.5 -0.965 56.3 -29.1 151.6-167.1 32.0 15.2 -10.4 48 55 A H E > S-B 38 0B 30 -2,-0.3 3,-2.7 -10,-0.2 6,-0.3 -0.722 81.9 -80.9 -88.7 129.7 33.1 18.7 -9.5 49 56 A K T 3 S- 0 0 56 -12,-3.1 3,-0.1 -2,-0.5 -1,-0.0 -0.493 102.7 -11.8 -67.9 133.8 35.1 19.0 -6.3 50 57 A W T 3 S+ 0 0 31 -2,-0.2 92,-0.3 1,-0.2 -1,-0.3 -0.360 93.6 128.2-125.9 68.5 33.4 19.0 -3.8 51 58 A Q <> - 0 0 49 -3,-2.7 4,-1.8 90,-0.1 -1,-0.2 -0.147 67.7-101.1 -84.9 174.1 29.8 19.5 -4.7 52 59 A C H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.887 119.0 51.5 -65.4 -40.4 26.7 17.6 -3.8 53 60 A V H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.912 106.6 55.8 -62.7 -38.6 26.5 15.6 -7.0 54 61 A E H > S+ 0 0 0 -6,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.912 108.7 47.1 -59.4 -43.9 30.1 14.5 -6.8 55 62 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.927 112.6 48.2 -64.8 -44.6 29.5 13.1 -3.3 56 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 113.6 46.8 -63.1 -40.9 26.3 11.2 -4.3 57 64 A R H X S+ 0 0 7 -4,-2.6 4,-2.3 -11,-0.2 -1,-0.2 0.929 114.6 47.3 -67.8 -40.4 27.9 9.7 -7.5 58 65 A R H X S+ 0 0 13 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.893 109.6 53.0 -69.9 -36.3 31.0 8.7 -5.5 59 66 A F H X S+ 0 0 9 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.932 112.3 45.0 -61.3 -47.7 29.0 7.1 -2.7 60 67 A L H X>S+ 0 0 8 -4,-2.2 4,-2.0 -5,-0.2 6,-1.5 0.891 114.1 50.6 -65.0 -35.7 27.0 5.0 -5.3 61 68 A F H X5S+ 0 0 42 -4,-2.3 4,-1.5 4,-0.2 -2,-0.2 0.973 115.0 40.8 -65.6 -48.8 30.2 4.1 -7.1 62 69 A L H <5S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.807 127.5 29.7 -70.9 -31.8 32.1 3.0 -4.0 63 70 A N H <5S+ 0 0 62 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 0.680 136.9 19.2-106.5 -15.0 29.2 1.2 -2.2 64 71 A Y H <5S- 0 0 123 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.453 90.7-123.0-131.9 -5.6 27.1 -0.1 -5.1 65 72 A G S < S- 0 0 68 1,-0.1 3,-2.0 -20,-0.0 4,-0.4 -0.999 78.5-128.5-132.8 137.9 21.8 20.8 -11.9 74 81 A A G > S+ 0 0 4 -2,-0.4 3,-1.8 48,-0.3 4,-0.3 0.805 105.7 64.7 -54.1 -35.6 21.2 18.4 -9.0 75 82 A W G > S+ 0 0 64 47,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.783 88.6 70.3 -62.8 -21.8 17.4 18.8 -9.3 76 83 A E G X S+ 0 0 65 -3,-2.0 3,-2.0 1,-0.3 4,-0.3 0.711 79.6 77.5 -67.2 -18.5 17.6 17.1 -12.7 77 84 A I G X S+ 0 0 0 -3,-1.8 3,-1.9 -4,-0.4 -1,-0.3 0.842 80.9 67.5 -59.7 -29.9 18.5 13.8 -11.0 78 85 A F G < S+ 0 0 30 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.680 98.6 52.5 -65.3 -14.3 14.8 13.4 -10.1 79 86 A S G < S+ 0 0 84 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.388 85.5 106.3-100.8 -0.6 14.1 13.0 -13.9 80 87 A L < - 0 0 26 -3,-1.9 3,-0.1 -4,-0.3 -12,-0.0 -0.515 46.7-171.4 -78.3 150.2 16.7 10.2 -14.4 81 88 A R + 0 0 124 -2,-0.2 13,-2.0 14,-0.1 2,-0.3 0.244 59.1 42.9-127.3 12.0 15.4 6.7 -14.9 82 89 A F E - D 0 93C 65 11,-0.3 -13,-0.3 102,-0.0 2,-0.3 -0.974 54.9-148.8-152.9 161.3 18.5 4.5 -14.8 83 90 A L E - D 0 92C 9 9,-2.2 9,-2.7 -2,-0.3 2,-0.5 -0.904 24.3-131.5-122.7 154.1 21.8 3.9 -13.1 84 91 A R E -CD 67 91C 66 -17,-2.9 -17,-2.0 -2,-0.3 2,-0.6 -0.951 9.5-135.7-112.6 127.6 24.8 2.5 -14.9 85 92 A E E >> -C 66 0C 62 5,-3.1 4,-2.0 -2,-0.5 3,-0.6 -0.718 17.1-152.1 -75.7 119.1 26.8 -0.5 -13.5 86 93 A V T 34 S+ 0 0 28 -21,-2.2 -1,-0.2 -2,-0.6 -20,-0.1 0.831 85.3 62.7 -68.8 -29.6 30.4 0.7 -14.0 87 94 A V T 34 S+ 0 0 124 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.846 128.5 4.1 -67.4 -27.8 32.0 -2.7 -14.3 88 95 A N T <4 S- 0 0 70 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.345 93.7-115.5-140.2 6.9 30.0 -3.7 -17.5 89 96 A D < + 0 0 102 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.625 58.8 156.7 62.0 17.5 28.0 -0.7 -18.5 90 97 A N - 0 0 88 -5,-0.4 -5,-3.1 -6,-0.1 2,-0.4 -0.427 39.1-126.4 -71.5 151.6 24.7 -2.5 -17.9 91 98 A I E -D 84 0C 101 -7,-0.2 -7,-0.2 -2,-0.1 -1,-0.1 -0.873 21.6-167.1-106.3 133.1 21.7 -0.3 -17.2 92 99 A L E -D 83 0C 48 -9,-2.7 -9,-2.2 -2,-0.4 93,-0.1 -0.913 27.8-107.0-118.1 141.7 19.5 -0.7 -14.1 93 100 A P E -D 82 0C 38 0, 0.0 2,-0.4 0, 0.0 92,-0.3 -0.365 30.9-168.5 -72.2 148.7 16.1 1.0 -13.7 94 101 A L - 0 0 3 -13,-2.0 2,-0.3 90,-0.3 90,-0.2 -0.997 3.5-162.0-137.0 128.2 15.7 3.9 -11.3 95 102 A Q E -E 183 0D 23 88,-2.6 88,-2.0 -2,-0.4 2,-0.4 -0.847 12.8-131.9-117.8 153.4 12.3 5.3 -10.1 96 103 A A E -E 182 0D 22 -2,-0.3 86,-0.2 86,-0.2 -18,-0.0 -0.819 14.6-168.8-100.6 136.5 11.3 8.6 -8.5 97 104 A F E -E 181 0D 14 84,-2.7 84,-1.9 -2,-0.4 4,-0.1 -0.959 21.2-133.8-125.9 113.4 9.0 8.8 -5.4 98 105 A P E > -E 180 0D 77 0, 0.0 3,-1.5 0, 0.0 82,-0.3 -0.281 37.0 -86.0 -64.8 150.1 7.7 12.3 -4.6 99 106 A N T 3 S+ 0 0 49 80,-2.4 69,-0.2 1,-0.3 81,-0.0 -0.294 120.1 37.6 -55.0 139.5 7.8 13.4 -0.9 100 107 A G T 3 S+ 0 0 24 67,-2.0 -1,-0.3 1,-0.3 68,-0.2 0.441 86.5 146.6 91.6 5.1 4.7 12.2 0.8 101 108 A S < - 0 0 14 -3,-1.5 66,-2.5 66,-0.4 -1,-0.3 -0.336 58.8-130.1 -71.6 154.7 4.7 8.9 -1.1 102 109 A P S S+ 0 0 90 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.488 91.9 91.1 -80.1 -6.1 3.5 5.6 0.5 103 110 A R S S- 0 0 72 64,-0.1 -2,-0.2 1,-0.0 -3,-0.1 -0.824 83.3-133.6 -91.5 109.6 6.8 4.1 -0.8 104 111 A A - 0 0 26 -2,-0.8 62,-0.0 1,-0.1 64,-0.0 -0.236 15.7-106.0 -68.5 150.3 9.2 4.6 2.1 105 112 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.293 40.5-158.1 -64.1 159.2 12.7 6.1 1.7 106 113 A V > - 0 0 59 24,-0.0 3,-2.1 22,-0.0 22,-0.3 -0.971 28.4 -83.1-140.3 157.6 15.4 3.4 2.1 107 114 A A T 3 S+ 0 0 55 -2,-0.3 22,-0.2 1,-0.3 3,-0.1 -0.348 116.5 27.8 -59.6 135.0 19.1 3.5 3.0 108 115 A G T 3 S+ 0 0 13 20,-3.6 -1,-0.3 1,-0.3 21,-0.1 0.264 89.0 136.1 96.4 -13.3 21.1 4.2 -0.1 109 116 A A < - 0 0 4 -3,-2.1 19,-2.7 19,-0.3 2,-0.4 -0.420 58.3-119.0 -73.5 148.1 18.4 6.2 -1.8 110 117 A L E -FG 127 182D 4 72,-1.1 72,-2.4 17,-0.2 2,-0.5 -0.678 24.8-156.2 -78.1 135.7 19.1 9.5 -3.5 111 118 A L E -FG 126 181D 0 15,-2.9 15,-2.1 -2,-0.4 2,-0.4 -0.960 13.9-161.8-117.3 120.6 17.2 12.3 -1.9 112 119 A I E -FG 125 180D 0 68,-3.0 67,-2.2 -2,-0.5 68,-1.6 -0.875 11.2-161.0-113.6 136.9 16.6 15.3 -4.3 113 120 A W E -FG 124 178D 0 11,-2.8 11,-1.3 -2,-0.4 65,-0.2 -0.876 18.8-131.2-105.0 145.4 15.7 18.9 -3.7 114 121 A D - 0 0 50 63,-2.6 63,-0.4 -2,-0.4 9,-0.2 -0.319 45.1 -77.0 -80.7 173.9 14.3 21.2 -6.4 115 122 A K S S+ 0 0 89 6,-0.2 6,-0.2 7,-0.2 5,-0.2 -0.307 84.0 94.1 -67.3 156.3 15.8 24.6 -6.9 116 123 A G > + 0 0 23 4,-2.9 3,-2.0 1,-0.3 61,-0.3 -0.189 68.9 1.3 130.1 143.3 14.7 27.1 -4.3 117 124 A G G > S+ 0 0 33 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 -0.286 129.4 5.4 58.6-131.6 15.6 28.8 -1.0 118 125 A E G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 58,-0.1 0.784 136.4 53.1 -53.4 -29.4 18.9 27.6 0.4 119 126 A F G X> S- 0 0 17 -3,-2.0 4,-2.6 1,-0.2 3,-1.3 0.179 85.5-174.5-100.0 19.2 19.4 25.6 -2.7 120 127 A K T <4 - 0 0 155 -3,-2.3 -4,-2.9 1,-0.2 -1,-0.2 0.148 63.1 -21.9 33.4-119.2 18.9 28.5 -5.1 121 128 A D T 34 S+ 0 0 112 -6,-0.2 -1,-0.2 1,-0.1 -6,-0.2 0.417 132.8 60.4-101.3 1.0 18.9 27.5 -8.7 122 129 A T T <4 S- 0 0 80 -3,-1.3 -47,-1.8 1,-0.2 -48,-0.3 0.762 82.6-152.5 -99.3 -25.9 20.8 24.2 -8.4 123 130 A G < - 0 0 1 -4,-2.6 2,-0.3 -49,-0.2 -1,-0.2 -0.485 23.1-108.0 75.7-161.1 18.6 22.1 -6.1 124 131 A H E -F 113 0D 2 -11,-1.3 -11,-2.8 -2,-0.1 2,-0.4 -0.991 18.5-149.8-162.5 158.3 20.5 19.5 -4.0 125 132 A V E +F 112 0D 1 -2,-0.3 16,-0.4 -13,-0.2 2,-0.3 -0.996 17.5 169.3-137.8 139.5 21.1 15.8 -3.6 126 133 A A E -F 111 0D 0 -15,-2.1 -15,-2.9 -2,-0.4 2,-0.5 -0.873 31.7-117.8-135.7 168.5 21.9 13.8 -0.5 127 134 A I E -FH 110 139D 0 12,-2.8 12,-2.4 -2,-0.3 2,-0.5 -0.953 23.0-130.1-109.7 131.2 22.1 10.1 0.2 128 135 A I E + H 0 138D 0 -19,-2.7 -20,-3.6 -2,-0.5 -19,-0.3 -0.711 31.6 172.1 -76.4 128.9 19.7 8.6 2.8 129 136 A T E + 0 0 17 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.756 56.0 22.5-111.9 -29.2 21.8 6.5 5.2 130 137 A Q E - H 0 137D 66 7,-1.5 7,-2.1 -24,-0.1 2,-0.4 -0.999 57.9-148.8-143.4 144.6 19.5 5.5 8.1 131 138 A L E + H 0 136D 66 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.930 22.1 167.5-111.5 133.2 15.8 5.0 8.7 132 139 A H - 0 0 73 3,-2.1 3,-0.3 -2,-0.4 -2,-0.0 -0.808 50.1 -95.1-133.1 175.2 14.2 5.6 12.1 133 140 A G S S+ 0 0 69 -2,-0.3 29,-0.1 1,-0.2 3,-0.1 0.825 119.7 15.2 -64.8 -32.5 10.6 5.9 13.2 134 141 A N S S+ 0 0 105 1,-0.1 26,-2.0 27,-0.1 2,-0.3 0.155 127.6 23.7-130.6 17.4 10.5 9.7 13.1 135 142 A K E - I 0 159D 53 24,-0.3 -3,-2.1 -3,-0.3 2,-0.3 -0.987 56.1-137.3-169.4 165.1 13.6 10.7 11.1 136 143 A V E -HI 131 158D 0 22,-2.3 22,-2.6 -2,-0.3 2,-0.4 -0.925 18.0-136.7-127.7 151.4 16.1 9.8 8.6 137 144 A R E -HI 130 157D 46 -7,-2.1 -8,-2.8 -2,-0.3 -7,-1.5 -0.894 25.8-171.6-103.0 143.7 19.8 10.5 8.6 138 145 A I E -HI 128 156D 0 18,-2.6 17,-2.5 -2,-0.4 18,-1.4 -0.901 15.6-149.5-129.9 160.5 21.5 11.7 5.4 139 146 A A E +H 127 0D 0 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.3 -0.982 31.3 142.8-126.6 145.1 25.0 12.3 4.1 140 147 A E - 0 0 0 -2,-0.3 2,-0.3 -14,-0.2 4,-0.2 -0.982 40.2-117.3-167.1 165.1 25.9 15.0 1.5 141 148 A Q S S+ 0 0 0 -16,-0.4 -16,-0.2 -2,-0.3 -90,-0.1 -0.764 86.5 40.0-106.9 162.1 28.5 17.5 0.4 142 149 A N S S+ 0 0 51 -123,-0.5 3,-0.1 2,-0.3 -1,-0.1 0.598 103.5 66.8 78.8 15.7 27.9 21.3 0.1 143 150 A V S S+ 0 0 30 1,-0.6 2,-0.5 -3,-0.2 -1,-0.1 0.605 98.6 38.0-123.8 -59.2 25.9 21.8 3.3 144 151 A I + 0 0 46 -4,-0.2 -1,-0.6 1,-0.1 -2,-0.3 -0.879 55.3 168.4 -96.4 131.2 28.1 21.1 6.3 145 152 A H + 0 0 25 -2,-0.5 -142,-3.1 -3,-0.1 -125,-0.1 0.172 53.9 85.8-123.2 9.4 31.6 22.3 5.7 146 153 A S S S- 0 0 31 -144,-0.3 -144,-0.2 1,-0.1 -137,-0.1 -0.835 93.3 -84.3-110.4 147.3 32.9 21.9 9.4 147 154 A P - 0 0 79 0, 0.0 -137,-0.2 0, 0.0 -138,-0.1 -0.225 45.5-121.1 -57.7 139.9 34.3 18.5 10.8 148 155 A L - 0 0 17 -139,-2.7 3,-0.1 1,-0.1 7,-0.1 -0.409 34.6 -90.6 -78.2 154.4 31.7 16.0 12.0 149 156 A P > - 0 0 77 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.229 60.5 -81.4 -56.8 150.6 31.7 14.7 15.5 150 157 A Q T 3 S+ 0 0 195 1,-0.3 3,-0.1 -3,-0.1 -140,-0.0 -0.297 117.0 12.4 -57.5 133.9 33.8 11.5 16.0 151 158 A G T 3 S+ 0 0 78 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.415 92.6 127.4 81.4 -4.7 31.9 8.4 14.9 152 159 A Q < - 0 0 43 -3,-2.2 -141,-0.4 1,-0.1 -1,-0.2 -0.798 32.8-179.9 -91.4 118.1 29.1 10.4 13.2 153 160 A Q + 0 0 86 -2,-0.7 2,-0.3 -143,-0.1 -1,-0.1 -0.170 58.8 67.7-112.1 36.9 28.6 9.2 9.6 154 161 A W - 0 0 38 -142,-0.1 -15,-0.3 1,-0.1 3,-0.1 -0.974 62.3-150.3-148.5 155.5 25.9 11.5 8.6 155 162 A T S S+ 0 0 8 -17,-2.5 2,-0.3 -2,-0.3 -16,-0.2 0.789 77.1 4.9 -99.2 -37.9 25.6 15.2 8.0 156 163 A R E -I 138 0D 17 -18,-1.4 -18,-2.6 -12,-0.0 2,-0.4 -0.976 56.4-139.9-144.1 158.9 22.0 16.0 9.0 157 164 A E E -I 137 0D 78 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.977 20.2-159.2-118.3 136.1 18.9 14.3 10.4 158 165 A L E -I 136 0D 1 -22,-2.6 -22,-2.3 -2,-0.4 13,-0.1 -0.941 22.9-112.6-117.1 136.4 15.5 15.2 8.9 159 166 A E E -IJ 135 170D 103 11,-0.6 11,-2.5 -2,-0.4 2,-0.5 -0.406 29.4-158.5 -63.8 140.4 12.2 14.7 10.5 160 167 A M E - J 0 169D 9 -26,-2.0 2,-0.5 9,-0.2 9,-0.2 -0.993 1.8-158.5-125.7 122.5 10.0 12.0 8.9 161 168 A V E - J 0 168D 28 7,-3.1 7,-2.3 -2,-0.5 2,-0.6 -0.879 4.2-166.7-101.1 127.4 6.2 12.0 9.4 162 169 A V E + J 0 167D 71 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.955 26.4 146.7-118.1 111.0 4.5 8.7 8.8 163 170 A E E > - J 0 166D 128 3,-2.1 3,-2.5 -2,-0.6 -2,-0.1 -0.992 60.0 -2.2-149.2 141.5 0.7 9.1 8.6 164 171 A N T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.827 129.0 -52.7 45.6 42.6 -2.1 7.5 6.7 165 172 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 -63,-0.0 -1,-0.3 0.507 115.2 110.3 78.1 8.3 0.2 5.3 4.9 166 173 A C E < -J 163 0D 44 -3,-2.5 -3,-2.1 -64,-0.1 2,-0.5 -0.877 55.9-143.4-123.2 152.6 2.5 8.1 3.6 167 174 A Y E -J 162 0D 66 -66,-2.5 -67,-2.0 -2,-0.3 2,-0.5 -0.944 18.8-179.0-115.5 122.1 6.1 9.3 4.4 168 175 A T E -J 161 0D 54 -7,-2.3 -7,-3.1 -2,-0.5 2,-0.3 -0.985 12.3-153.8-126.6 120.9 6.9 12.9 4.4 169 176 A L E -J 160 0D 4 -2,-0.5 2,-0.5 -9,-0.2 -9,-0.2 -0.739 5.8-153.6 -89.4 142.3 10.3 14.4 5.0 170 177 A K E -J 159 0D 102 -11,-2.5 -11,-0.6 -2,-0.3 4,-0.1 -0.972 17.8-130.0-115.6 127.2 10.7 17.9 6.5 171 178 A D - 0 0 27 -2,-0.5 -12,-0.1 2,-0.2 -13,-0.0 -0.224 11.9-128.2 -71.3 162.2 14.0 19.8 5.7 172 179 A T S S+ 0 0 72 -14,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.711 96.2 71.8 -82.5 -20.2 16.1 21.5 8.3 173 180 A F S S- 0 0 52 1,-0.1 3,-0.2 2,-0.0 -2,-0.2 -0.679 76.2-146.0 -91.9 149.4 15.9 24.7 6.1 174 181 A D S S+ 0 0 168 -2,-0.3 -1,-0.1 1,-0.2 -57,-0.1 0.698 88.9 48.2 -91.4 -19.3 12.6 26.5 6.0 175 182 A D S S+ 0 0 95 -59,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.187 90.0 98.6-110.7 15.6 12.6 27.9 2.4 176 183 A T - 0 0 24 -3,-0.2 2,-0.4 -59,-0.2 -59,-0.1 -0.510 59.7-136.8 -99.9 172.5 13.5 24.8 0.4 177 184 A T - 0 0 75 -63,-0.4 -63,-2.6 -61,-0.3 2,-0.5 -0.954 7.7-153.0-132.4 113.8 11.6 22.2 -1.5 178 185 A I E - G 0 113D 20 -2,-0.4 -65,-0.3 -65,-0.2 -79,-0.3 -0.716 5.5-168.6 -81.1 126.9 12.3 18.4 -1.3 179 186 A L E - 0 0 41 -67,-2.2 -80,-2.4 -2,-0.5 2,-0.3 0.944 46.0-102.0 -77.6 -52.5 11.2 16.7 -4.6 180 187 A G E -EG 98 112D 0 -68,-1.6 -68,-3.0 -82,-0.3 -1,-0.3 -0.981 37.1 -62.2 157.4-166.1 11.5 13.1 -3.3 181 188 A W E -EG 97 111D 0 -84,-1.9 -84,-2.7 -2,-0.3 2,-0.4 -0.797 31.5-139.0-119.1 157.9 13.7 10.0 -3.3 182 189 A M E -EG 96 110D 2 -72,-2.4 -72,-1.1 -2,-0.3 2,-0.4 -0.946 15.9-170.7-118.6 139.9 15.0 7.6 -5.9 183 190 A I E -E 95 0D 17 -88,-2.0 -88,-2.6 -2,-0.4 2,-1.2 -0.964 31.9-115.3-132.3 139.1 15.2 3.8 -5.6 184 191 A Q S S+ 0 0 95 -2,-0.4 2,-0.3 -90,-0.2 -90,-0.3 -0.646 74.6 106.9 -75.5 101.7 16.8 1.3 -7.9 185 192 A T S S- 0 0 30 -2,-1.2 2,-0.2 -92,-0.3 -2,-0.1 -0.961 71.9 -97.9-167.5 161.3 13.7 -0.6 -8.9 186 193 A E - 0 0 113 -2,-0.3 2,-1.0 1,-0.1 -91,-0.1 -0.478 52.8 -92.0 -84.5 162.8 11.4 -1.0 -12.0 187 194 A D + 0 0 95 -2,-0.2 -1,-0.1 1,-0.1 -93,-0.0 -0.682 59.4 156.5 -77.8 103.8 8.2 1.0 -12.1 188 195 A T + 0 0 109 -2,-1.0 2,-0.4 2,-0.1 -1,-0.1 -0.171 42.6 92.4-122.4 38.5 5.7 -1.4 -10.5 189 196 A E 0 0 86 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.999 360.0 360.0-133.9 136.1 3.2 1.1 -9.3 190 197 A Y 0 0 302 -2,-0.4 -2,-0.1 0, 0.0 0, 0.0 -0.230 360.0 360.0 -50.3 360.0 0.1 2.3 -11.2