==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-APR-10 3MTJ . COMPND 2 MOLECULE: HOMOSERINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS DENITRIFICANS; . AUTHOR A.J.STEIN,H.CUI,S.CHIN,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST CENT . 431 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 0 1 0 2 1 1 2 1 2 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 2 2 0 1 0 0 1 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 0 1 0 0 0 0 0 1 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 F 0 0 233 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 150.1 20.5 38.9 46.5 2 -1 A Q + 0 0 162 1,-0.2 36,-0.1 2,-0.1 35,-0.1 -0.463 360.0 34.3 -76.4 159.2 22.2 37.6 49.6 3 0 A G S S+ 0 0 42 2,-0.2 36,-0.3 -2,-0.1 -1,-0.2 0.487 88.1 95.5 84.7 5.5 20.2 36.9 52.8 4 1 A X + 0 0 144 -3,-0.4 -2,-0.1 34,-0.1 -1,-0.1 0.677 64.2 76.7-104.5 -25.8 16.9 35.8 51.2 5 2 A K S S- 0 0 58 -4,-0.2 -2,-0.2 33,-0.0 -1,-0.1 -0.835 78.7-137.1 -90.5 116.4 17.3 32.0 51.2 6 3 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 34,-0.2 -0.365 16.2-119.4 -62.2 148.5 16.8 30.6 54.7 7 4 A I E -a 40 0A 0 32,-2.8 34,-2.8 -2,-0.0 2,-0.6 -0.779 31.2-132.6 -86.8 140.1 19.2 27.9 55.9 8 5 A H E -a 41 0A 64 -2,-0.4 68,-2.5 66,-0.3 69,-1.8 -0.869 22.1-166.5-107.6 123.8 17.2 24.8 56.7 9 6 A V E -ab 42 77A 0 32,-2.9 34,-3.1 -2,-0.6 35,-0.7 -0.829 5.0-166.5-112.3 139.6 17.7 22.9 59.9 10 7 A G E -ab 44 78A 0 67,-2.6 69,-3.1 -2,-0.4 2,-0.4 -0.970 12.3-141.1-123.6 144.9 16.6 19.4 61.0 11 8 A L E -ab 45 79A 0 33,-2.2 35,-3.2 -2,-0.4 2,-0.6 -0.846 7.2-157.6-105.7 139.6 16.6 17.9 64.5 12 9 A L E S-ab 46 80A 1 67,-3.1 69,-2.9 -2,-0.4 35,-0.2 -0.968 78.9 -2.3-107.6 118.3 17.4 14.5 65.7 13 10 A G - 0 0 12 33,-3.1 33,-0.2 -2,-0.6 69,-0.2 0.020 64.6-158.0 81.0 157.7 15.7 14.0 69.1 14 11 A L > + 0 0 11 67,-0.2 4,-2.5 31,-0.1 3,-0.2 0.288 35.2 131.1-129.2 -83.0 13.7 16.8 70.7 15 12 A G H > S- 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.2 -0.095 83.0 -34.2 59.8-162.7 13.1 16.6 74.4 16 13 A T H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 143.1 44.7 -55.3 -49.2 13.8 19.5 76.8 17 14 A V H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.915 113.0 50.7 -68.9 -44.0 16.7 20.9 74.9 18 15 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.929 111.4 46.9 -57.4 -50.9 15.0 20.5 71.5 19 16 A G H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 113.0 51.1 -54.7 -50.2 11.8 22.3 72.7 20 17 A G H X S+ 0 0 4 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.896 107.9 52.8 -49.5 -47.2 14.1 25.0 74.2 21 18 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.881 109.4 47.4 -60.1 -45.0 15.9 25.4 70.9 22 19 A L H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 114.2 48.1 -62.3 -48.7 12.7 25.9 68.9 23 20 A T H X S+ 0 0 68 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.917 113.1 47.4 -55.8 -46.2 11.6 28.5 71.5 24 21 A V H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.925 111.3 50.2 -68.4 -43.0 15.0 30.3 71.5 25 22 A L H < S+ 0 0 16 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.901 116.2 42.3 -57.9 -44.3 15.1 30.5 67.7 26 23 A R H >< S+ 0 0 76 -4,-2.1 3,-1.0 -5,-0.2 4,-0.2 0.964 116.1 46.7 -68.2 -50.1 11.6 31.9 67.4 27 24 A R H 3< S+ 0 0 144 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.830 123.0 33.5 -64.8 -38.2 11.9 34.4 70.4 28 25 A N T >X S+ 0 0 62 -4,-2.4 4,-2.2 -5,-0.2 3,-0.5 0.232 79.6 126.8-103.7 13.5 15.3 35.8 69.3 29 26 A A H <> + 0 0 40 -3,-1.0 4,-2.5 -4,-0.3 5,-0.3 0.771 68.8 56.4 -35.9 -45.4 14.7 35.5 65.5 30 27 A E H 3> S+ 0 0 138 -3,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.958 112.6 38.0 -59.7 -57.1 15.5 39.1 64.9 31 28 A E H <> S+ 0 0 129 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.876 115.8 54.1 -61.4 -41.2 19.0 39.1 66.4 32 29 A I H X S+ 0 0 13 -4,-2.2 4,-2.9 2,-0.2 6,-0.3 0.926 111.2 44.7 -60.6 -48.8 19.8 35.6 65.1 33 30 A T H X S+ 0 0 54 -4,-2.5 4,-2.2 -5,-0.2 5,-0.4 0.913 111.6 54.3 -61.4 -46.4 18.9 36.6 61.5 34 31 A R H < S+ 0 0 186 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.948 116.4 36.3 -51.0 -52.6 20.9 39.8 61.8 35 32 A R H < S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.905 118.9 48.4 -73.3 -43.3 24.1 38.0 62.9 36 33 A A H < S- 0 0 5 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.769 100.5-131.1 -66.5 -28.5 23.7 35.0 60.7 37 34 A G S < S+ 0 0 48 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.1 0.457 82.3 41.1 86.8 -0.1 23.0 37.0 57.5 38 35 A R S S- 0 0 38 -5,-0.4 -2,-0.2 -6,-0.3 -34,-0.1 -0.955 98.5 -78.0-167.6 162.0 19.9 34.9 56.7 39 36 A E - 0 0 105 -36,-0.3 -32,-2.8 -2,-0.3 2,-0.6 -0.360 33.0-144.0 -68.2 143.2 17.0 33.2 58.4 40 37 A I E -a 7 0A 13 -34,-0.2 2,-0.5 -11,-0.1 -32,-0.2 -0.962 24.9-172.5-110.6 113.5 17.6 30.0 60.3 41 38 A R E -a 8 0A 23 -34,-2.8 -32,-2.9 -2,-0.6 2,-0.5 -0.935 20.1-143.4-121.3 119.7 14.5 27.8 59.8 42 39 A V E -a 9 0A 29 -2,-0.5 -32,-0.2 -34,-0.2 3,-0.1 -0.696 16.9-176.7 -80.7 121.8 13.8 24.5 61.5 43 40 A V E - 0 0 42 -34,-3.1 2,-0.3 -2,-0.5 -33,-0.2 0.874 55.8 -31.7 -89.5 -43.0 12.0 22.2 59.0 44 41 A R E -a 10 0A 61 -35,-0.7 -33,-2.2 16,-0.1 2,-0.4 -0.986 48.5-124.3-168.0 167.4 11.2 19.1 61.1 45 42 A A E -ac 11 62A 0 16,-2.0 18,-1.9 -2,-0.3 2,-0.6 -0.995 13.0-143.0-127.5 131.0 12.3 16.9 64.0 46 43 A A E +ac 12 63A 7 -35,-3.2 -33,-3.1 -2,-0.4 2,-0.3 -0.827 34.8 172.2 -85.3 122.5 12.9 13.1 64.0 47 44 A V - 0 0 12 16,-2.6 3,-0.1 -2,-0.6 -2,-0.0 -0.963 38.6-143.7-134.1 150.4 11.7 11.8 67.3 48 45 A R S S+ 0 0 170 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.884 95.2 45.5 -76.0 -45.2 11.1 8.3 68.8 49 46 A N > - 0 0 95 1,-0.2 4,-1.2 2,-0.1 -1,-0.2 -0.903 64.4-173.6-107.5 111.1 8.0 9.1 70.8 50 47 A L H > S+ 0 0 79 -2,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.886 82.7 48.1 -71.0 -39.8 5.5 11.1 68.7 51 48 A D H >> S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.948 112.8 45.4 -69.5 -50.2 3.0 11.8 71.5 52 49 A K H 34 S+ 0 0 58 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.804 111.9 55.3 -62.7 -28.6 5.5 13.0 74.1 53 50 A A H >X S+ 0 0 7 -4,-1.2 3,-1.0 1,-0.2 4,-0.9 0.799 92.3 71.3 -75.3 -28.3 7.2 15.2 71.5 54 51 A E H XX S+ 0 0 61 -4,-1.3 3,-0.8 -3,-0.5 4,-0.7 0.883 93.5 54.3 -54.1 -46.3 3.9 17.0 70.6 55 52 A A H 3< S+ 0 0 99 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.755 116.3 38.3 -59.8 -26.5 3.8 19.0 73.8 56 53 A L H <4 S+ 0 0 71 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.484 103.4 70.4-102.0 -6.5 7.4 20.3 73.2 57 54 A A H X< S- 0 0 6 -4,-0.9 3,-1.0 -3,-0.8 -2,-0.1 0.682 79.3-144.3 -93.1 -21.2 7.3 20.9 69.4 58 55 A G T 3< S- 0 0 79 -4,-0.7 -3,-0.1 1,-0.2 -4,-0.1 0.849 76.9 -48.1 51.7 41.7 4.9 23.9 69.1 59 56 A G T 3 S+ 0 0 76 -5,-0.4 -1,-0.2 1,-0.3 -5,-0.1 0.558 94.1 150.3 80.9 8.0 3.5 22.4 65.8 60 57 A L < - 0 0 27 -3,-1.0 -1,-0.3 -6,-0.1 -16,-0.1 -0.575 58.1 -99.3 -68.6 135.9 6.8 21.6 64.2 61 58 A P - 0 0 77 0, 0.0 -16,-2.0 0, 0.0 2,-0.3 -0.296 44.4-159.0 -57.7 140.2 6.4 18.6 61.8 62 59 A L E +c 45 0A 51 -18,-0.2 2,-0.3 -3,-0.1 -16,-0.2 -0.912 14.5 179.2-125.2 150.5 7.5 15.4 63.4 63 60 A T E -c 46 0A 24 -18,-1.9 -16,-2.6 -2,-0.3 6,-0.0 -0.979 27.9-145.0-146.6 152.5 8.6 12.1 61.9 64 61 A T S S+ 0 0 81 -2,-0.3 -18,-0.1 -18,-0.2 3,-0.1 0.427 83.4 83.9 -97.2 -2.8 9.8 8.8 63.5 65 62 A N > - 0 0 75 1,-0.1 3,-1.8 2,-0.0 4,-0.2 -0.889 62.9-162.6-102.7 110.5 12.2 8.1 60.6 66 63 A P T >> S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 3,-1.5 0.728 86.3 69.5 -69.1 -18.6 15.6 10.0 61.1 67 64 A F H 3> S+ 0 0 71 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.697 82.4 72.8 -69.9 -15.7 16.5 9.6 57.5 68 65 A D H <4 S+ 0 0 71 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.0 0.612 111.7 31.8 -66.5 -12.2 13.7 12.1 56.7 69 66 A V H X4 S+ 0 0 0 -3,-1.5 3,-0.7 -4,-0.2 -2,-0.2 0.764 123.3 40.9-106.6 -57.3 16.2 14.5 58.2 70 67 A V H 3< S+ 0 0 0 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.677 123.1 39.7 -75.3 -16.4 19.7 13.2 57.4 71 68 A D T 3< S+ 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -3,-0.1 0.398 83.3 111.9-107.8 -1.7 18.8 12.2 53.8 72 69 A D X - 0 0 35 -3,-0.7 3,-1.7 -5,-0.2 -4,-0.0 -0.646 60.8-150.1 -73.8 114.4 16.6 15.2 52.9 73 70 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.780 92.1 60.4 -58.8 -26.6 18.7 17.0 50.3 74 71 A E T 3 S+ 0 0 54 -3,-0.0 2,-0.4 2,-0.0 -66,-0.3 0.680 82.2 95.4 -73.3 -19.6 17.1 20.4 51.3 75 72 A I < + 0 0 3 -3,-1.7 -66,-0.2 -6,-0.2 3,-0.1 -0.624 46.4 177.8 -81.5 126.2 18.4 20.2 54.9 76 73 A D + 0 0 43 -68,-2.5 25,-2.0 -2,-0.4 2,-0.4 0.787 66.0 33.0 -94.1 -35.9 21.7 22.1 55.4 77 74 A I E -bd 9 101A 0 -69,-1.8 -67,-2.6 23,-0.2 2,-0.4 -0.992 63.1-156.2-131.8 130.3 22.3 21.6 59.1 78 75 A V E -bd 10 102A 1 23,-2.9 25,-2.9 -2,-0.4 2,-0.7 -0.875 7.2-154.5-103.0 129.6 21.4 18.7 61.4 79 76 A V E -bd 11 103A 0 -69,-3.1 -67,-3.1 -2,-0.4 2,-0.7 -0.915 12.2-154.2-103.6 115.2 21.0 19.3 65.2 80 77 A E E +bd 12 104A 0 23,-3.1 25,-1.6 -2,-0.7 26,-0.4 -0.816 32.6 150.7 -99.9 115.4 21.8 16.1 67.1 81 78 A L + 0 0 27 -69,-2.9 -67,-0.2 -2,-0.7 -63,-0.2 -0.002 39.6 104.9-129.3 23.2 20.1 15.9 70.5 82 79 A I - 0 0 34 -69,-0.2 -69,-0.1 -70,-0.1 3,-0.1 0.887 63.8-155.4 -73.0 -37.1 19.6 12.1 70.9 83 80 A G + 0 0 31 1,-0.2 5,-0.4 2,-0.1 23,-0.1 -0.170 50.2 72.5 73.3 175.1 22.4 11.6 73.4 84 81 A G S S- 0 0 37 1,-0.1 25,-0.3 3,-0.1 -1,-0.2 0.046 90.2 -88.6 71.4 176.4 24.0 8.1 73.7 85 82 A L S > S+ 0 0 42 1,-0.3 4,-3.3 3,-0.1 5,-0.2 0.911 94.4 72.9 -90.5 -49.7 26.4 6.4 71.3 86 83 A E T 4 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.2 23,-0.0 -0.952 103.7 7.4-120.6 141.2 23.8 4.7 69.0 87 84 A P T > S+ 0 0 49 0, 0.0 4,-2.4 0, 0.0 5,-0.3 -0.983 123.2 67.0 -83.3 7.2 21.9 5.5 66.8 88 85 A A H > S+ 0 0 0 -5,-0.4 4,-2.9 1,-0.2 5,-0.2 0.917 99.9 52.1 -53.5 -46.1 23.5 9.0 67.2 89 86 A R H X S+ 0 0 91 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.921 112.4 44.6 -56.3 -48.9 26.9 7.8 65.8 90 87 A E H > S+ 0 0 113 2,-0.2 4,-2.0 -5,-0.2 -1,-0.2 0.884 115.3 46.5 -63.2 -44.6 25.3 6.3 62.7 91 88 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 112.1 50.8 -68.0 -42.1 23.0 9.2 61.9 92 89 A V H X S+ 0 0 5 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.944 110.8 48.5 -58.5 -50.3 25.8 11.7 62.4 93 90 A X H X S+ 0 0 72 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.886 113.2 48.6 -57.3 -42.5 28.2 9.8 60.1 94 91 A Q H X S+ 0 0 62 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.859 107.9 53.8 -64.7 -38.1 25.3 9.6 57.5 95 92 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 -2,-0.2 0.926 112.0 46.0 -60.0 -44.9 24.6 13.4 57.8 96 93 A I H ><5S+ 0 0 4 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.928 107.8 55.3 -63.8 -47.2 28.3 14.0 57.1 97 94 A A H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 107.5 52.7 -55.1 -30.6 28.3 11.6 54.1 98 95 A N T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.320 122.3-106.4 -89.9 6.1 25.4 13.6 52.7 99 96 A G T < 5S+ 0 0 38 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.799 72.7 139.3 74.1 30.8 27.3 17.0 53.0 100 97 A K < - 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0 0 4 89,-0.2 4,-1.6 122,-0.2 5,-0.1 -0.937 57.5-164.3-131.9 114.2 28.8 18.3 86.1 162 159 A G H > S+ 0 0 11 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.828 83.8 52.0 -68.1 -37.8 25.8 20.0 87.8 163 160 A T H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 110.2 46.4 -67.6 -48.9 24.4 17.1 89.7 164 161 A S H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.856 114.4 49.8 -65.2 -32.8 27.7 16.0 91.4 165 162 A N H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 116,-0.5 0.893 108.1 53.0 -69.7 -39.7 28.3 19.7 92.3 166 163 A F H X S+ 0 0 29 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 110.9 47.3 -58.9 -46.9 24.8 20.0 93.8 167 164 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.925 113.3 46.7 -59.4 -49.7 25.4 17.0 96.0 168 165 A L H X S+ 0 0 7 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.835 114.0 49.2 -65.7 -34.1 28.8 18.2 97.2 169 166 A S H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 112.6 47.2 -65.3 -47.8 27.4 21.7 97.8 170 167 A E H X S+ 0 0 45 -4,-2.6 4,-3.2 1,-0.2 5,-0.5 0.898 109.6 53.2 -62.4 -44.0 24.4 20.2 99.8 171 168 A X H X S+ 0 0 4 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.891 113.1 44.2 -56.2 -43.0 26.7 17.9 101.9 172 169 A R H < S+ 0 0 81 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.954 119.1 41.0 -69.0 -51.0 28.8 20.9 102.9 173 170 A D H < S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.928 128.9 27.9 -62.3 -49.2 25.9 23.3 103.6 174 171 A K H < S- 0 0 148 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.657 92.1-134.3 -95.7 -19.2 23.6 20.7 105.4 175 172 A G < + 0 0 52 -4,-1.7 -4,-0.2 -5,-0.5 -3,-0.1 0.490 54.7 141.2 80.8 3.9 26.1 18.2 106.8 176 173 A A - 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