==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-08 3FMX . COMPND 2 MOLECULE: TARTRATE DEHYDROGENASE/DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR R.MALIK,R.E.VIOLA . 359 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 7.0 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 . 1 0.3 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-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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 2 1 2 0 1 1 0 0 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 1 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 PARALLEL BRIDGES PER LADDER . 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 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 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 X S 0 0 142 0, 0.0 2,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 98.2 -68.9 21.9 35.2 2 6 X F E -a 35 0A 40 32,-1.2 34,-0.6 64,-0.0 2,-0.4 -0.516 360.0-151.5 -89.3 158.5 -70.1 21.6 31.6 3 7 X R E -a 36 0A 86 -2,-0.2 64,-2.9 32,-0.1 65,-1.2 -0.990 11.4-164.1-131.4 125.0 -68.3 20.1 28.5 4 8 X I E -b 68 0B 2 32,-0.6 2,-0.6 -2,-0.4 34,-0.4 -0.913 9.9-148.8-114.7 131.5 -69.0 21.4 25.0 5 9 X A E -b 69 0B 0 63,-2.9 65,-3.6 -2,-0.4 2,-0.5 -0.867 15.7-164.3 -98.2 119.5 -68.1 19.6 21.7 6 10 X A E +bc 70 39B 0 32,-1.7 34,-1.8 -2,-0.6 65,-0.2 -0.920 12.2 173.4-112.0 124.6 -67.3 22.0 18.9 7 11 X I E -b 71 0B 0 63,-2.8 65,-2.5 -2,-0.5 34,-0.1 -0.944 14.5-176.6-133.4 107.4 -67.2 20.8 15.3 8 12 X P E + 0 0 21 0, 0.0 65,-1.0 0, 0.0 6,-0.2 0.772 24.9 179.3 -72.9 -26.3 -66.8 23.3 12.4 9 13 X G E -b 73 0B 4 31,-0.4 65,-0.2 33,-0.4 2,-0.2 -0.426 43.9 -4.6 63.2-126.5 -67.2 20.6 9.8 10 14 X D S > S- 0 0 7 63,-2.2 3,-2.3 -2,-0.2 4,-0.2 -0.508 104.6 -23.4-102.9 166.3 -67.0 21.9 6.2 11 15 X G T >> S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 4,-0.7 0.034 128.8 8.6 40.4-129.9 -66.8 25.3 4.5 12 16 X I H 3> S+ 0 0 9 270,-1.9 4,-3.9 1,-0.3 5,-0.4 0.534 112.3 82.9 -67.0 -7.1 -68.0 28.3 6.5 13 17 X G H <> S+ 0 0 0 -3,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.965 95.3 44.9 -52.0 -54.2 -68.3 26.1 9.5 14 18 X L H <4 S+ 0 0 84 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.2 0.883 117.7 49.2 -51.9 -40.1 -64.6 26.7 10.0 15 19 X E H < S+ 0 0 13 -4,-0.7 4,-0.4 1,-0.2 -2,-0.2 0.934 118.0 31.2 -71.8 -53.5 -65.4 30.4 9.3 16 20 X V H < S+ 0 0 0 -4,-3.9 4,-0.4 1,-0.2 -1,-0.2 0.643 105.0 75.5 -85.1 -14.6 -68.4 31.2 11.6 17 21 X L S >X S+ 0 0 8 -4,-1.8 4,-2.4 -5,-0.4 3,-1.2 0.895 90.2 51.9 -68.1 -42.7 -67.5 28.8 14.4 18 22 X P H 3> S+ 0 0 58 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.819 110.5 51.4 -68.4 -23.8 -64.7 30.7 16.0 19 23 X E H 3> S+ 0 0 16 -4,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.514 107.8 52.3 -85.7 -8.2 -67.0 33.8 16.2 20 24 X G H <> S+ 0 0 0 -3,-1.2 4,-0.7 -4,-0.4 -1,-0.1 0.876 112.9 44.0 -82.7 -50.1 -69.7 31.7 17.8 21 25 X I H >X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 3,-0.6 0.904 110.9 58.7 -53.6 -48.8 -67.2 30.6 20.5 22 26 X R H >X S+ 0 0 99 -4,-2.1 4,-1.4 1,-0.2 3,-0.6 0.953 107.0 40.6 -48.6 -70.4 -65.9 34.1 20.8 23 27 X V H 3X S+ 0 0 1 -4,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.595 116.2 55.4 -62.2 -10.7 -69.1 36.0 21.8 24 28 X L H X>S+ 0 0 13 -4,-2.4 5,-2.0 2,-0.2 4,-1.1 0.959 114.6 32.3 -49.1 -63.2 -69.0 32.6 30.2 29 33 X L H ><5S+ 0 0 162 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.922 119.7 56.6 -58.6 -44.8 -66.4 34.7 32.0 30 34 X K H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.674 120.9 25.1 -63.8 -23.1 -69.0 37.5 32.4 31 35 X H H <<5S- 0 0 22 -4,-2.3 -1,-0.2 -3,-0.6 -2,-0.2 0.326 108.3-106.6-127.3 7.5 -71.6 35.2 34.3 32 36 X G T <<5 + 0 0 40 -4,-1.1 2,-0.5 -3,-0.6 -3,-0.2 0.977 58.4 167.7 64.5 59.3 -69.5 32.5 35.9 33 37 X L < - 0 0 13 -5,-2.0 2,-2.7 -6,-0.1 -1,-0.2 -0.919 42.5-123.7-116.4 127.1 -70.5 29.7 33.5 34 38 X A + 0 0 37 -2,-0.5 -32,-1.2 1,-0.1 2,-0.8 -0.310 49.1 155.6 -70.4 67.2 -68.8 26.3 33.3 35 39 X L E +a 2 0A 24 -2,-2.7 2,-0.6 -34,-0.1 -32,-0.1 -0.818 11.7 170.1-103.3 102.1 -67.9 26.4 29.5 36 40 X E E -a 3 0A 102 -2,-0.8 -32,-0.6 -34,-0.6 -2,-0.1 -0.693 22.1-160.6-113.6 77.2 -64.9 24.1 28.7 37 41 X F - 0 0 35 -2,-0.6 2,-0.3 -34,-0.1 -32,-0.1 0.116 13.8-177.5 -60.7 166.0 -64.7 23.9 24.9 38 42 X D - 0 0 59 -34,-0.4 -32,-1.7 2,-0.0 2,-0.4 -0.968 15.7-137.7-157.2 156.8 -63.0 21.5 22.6 39 43 X T B -c 6 0B 93 -2,-0.3 2,-0.4 -34,-0.1 -32,-0.2 -0.965 10.2-162.3-126.9 140.4 -62.5 21.1 18.8 40 44 X F - 0 0 16 -34,-1.8 -31,-0.4 -2,-0.4 -2,-0.0 -0.985 13.6-152.9-126.1 129.9 -62.8 18.0 16.6 41 45 X E S S+ 0 0 168 -2,-0.4 6,-0.3 -34,-0.1 5,-0.2 0.824 70.0 87.0 -65.1 -38.0 -61.4 17.6 13.1 42 46 X W + 0 0 21 1,-0.1 -33,-0.4 5,-0.1 13,-0.2 0.052 56.0 64.3 -71.1-179.5 -63.9 15.0 11.9 43 47 X A S S+ 0 0 0 11,-2.7 2,-0.3 1,-0.3 30,-0.2 0.926 90.1 106.8 59.6 52.6 -67.4 15.4 10.4 44 48 X S S > S- 0 0 6 10,-0.8 4,-1.5 -35,-0.1 -1,-0.3 -0.946 83.0-118.4-148.1 165.5 -65.6 17.0 7.5 45 49 X C H > S+ 0 0 4 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.590 114.1 60.1 -85.6 -12.4 -64.8 16.2 3.9 46 50 X D H > S+ 0 0 111 2,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.937 107.9 44.8 -70.9 -51.4 -61.1 16.5 4.7 47 51 X Y H > S+ 0 0 30 -6,-0.3 4,-3.7 1,-0.2 6,-0.4 0.888 114.4 49.9 -56.0 -43.6 -61.5 13.7 7.2 48 52 X Y H X S+ 0 0 67 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.901 109.9 49.1 -66.6 -42.5 -63.5 11.7 4.7 49 53 X L H < S+ 0 0 100 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.934 119.1 41.1 -59.2 -43.6 -61.0 12.1 1.9 50 54 X Q H < S+ 0 0 149 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.907 129.3 24.0 -71.2 -46.1 -58.3 11.1 4.4 51 55 X H H < S- 0 0 83 -4,-3.7 -3,-0.2 2,-0.3 -2,-0.2 0.627 92.6-122.6-104.3 -15.0 -60.1 8.2 6.2 52 56 X G S < S+ 0 0 50 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.2 0.184 90.3 74.0 89.4 -16.5 -62.8 6.9 3.8 53 57 X K S S- 0 0 91 -6,-0.4 -2,-0.3 1,-0.1 -1,-0.1 -0.962 84.7-124.1-132.0 147.3 -65.5 7.7 6.5 54 58 X M S S+ 0 0 6 -2,-0.3 -11,-2.7 30,-0.2 -10,-0.8 0.722 93.1 2.1 -63.0 -28.0 -67.0 11.0 7.7 55 59 X M S S- 0 0 9 -13,-0.2 -1,-0.1 -12,-0.2 2,-0.1 -0.958 90.0 -80.6-152.2 165.3 -66.0 10.3 11.3 56 60 X P > - 0 0 16 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.375 43.1-113.4 -71.2 154.7 -64.2 7.6 13.5 57 61 X D T 3 S+ 0 0 113 1,-0.3 3,-0.3 2,-0.1 0, 0.0 0.724 115.3 52.5 -61.2 -24.9 -66.2 4.5 14.4 58 62 X D T 3> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.1 -1,-0.3 -0.069 70.3 119.8-102.6 28.3 -66.1 5.5 18.1 59 63 X W H <> S+ 0 0 15 -3,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.841 74.2 50.1 -59.7 -35.3 -67.5 9.0 17.6 60 64 X A H > S+ 0 0 13 -3,-0.3 4,-4.3 2,-0.3 5,-0.3 0.950 107.2 47.8 -77.5 -54.0 -70.5 8.4 19.8 61 65 X E H 4 S+ 0 0 103 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.856 116.3 51.6 -53.9 -35.2 -68.9 6.9 22.9 62 66 X Q H >< S+ 0 0 70 -4,-1.4 3,-1.5 2,-0.2 -2,-0.3 0.996 115.4 37.0 -60.3 -65.5 -66.6 9.8 22.5 63 67 X L H >< S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.3 -2,-0.2 0.812 101.5 73.0 -61.7 -36.1 -69.4 12.4 22.3 64 68 X K T 3< S+ 0 0 112 -4,-4.3 -1,-0.3 1,-0.3 -2,-0.2 0.740 90.0 64.8 -51.0 -22.7 -71.7 10.7 24.9 65 69 X Q T < S+ 0 0 127 -3,-1.5 -1,-0.3 -4,-0.4 2,-0.3 0.080 95.1 74.7 -90.5 20.9 -69.1 12.0 27.4 66 70 X Y S < S- 0 0 25 -3,-2.1 -62,-0.2 1,-0.1 3,-0.1 -0.881 73.8-134.7-131.4 162.8 -70.0 15.7 26.6 67 71 X D S S- 0 0 75 -64,-2.9 207,-0.7 -2,-0.3 2,-0.3 0.881 78.3 -2.2 -89.3 -41.8 -72.9 17.9 27.4 68 72 X A E -bd 4 274B 0 -65,-1.2 -63,-2.9 205,-0.2 2,-0.5 -0.972 59.5-124.9-147.9 161.0 -73.7 19.6 24.1 69 73 X I E -bd 5 275B 0 205,-2.5 207,-3.3 -2,-0.3 2,-0.7 -0.946 8.7-164.2-112.8 129.7 -72.6 19.9 20.5 70 74 X Y E -bd 6 276B 0 -65,-3.6 -63,-2.8 -2,-0.5 2,-0.3 -0.934 26.9-170.8-106.4 103.4 -71.8 23.2 18.8 71 75 X F E -b 7 0B 0 205,-3.3 3,-0.1 -2,-0.7 -65,-0.0 -0.730 22.0-164.0-106.7 147.1 -71.9 22.3 15.1 72 76 X G E - 0 0 0 -65,-2.5 2,-0.3 -2,-0.3 -63,-0.2 0.867 48.9 -76.4 -86.4 -92.9 -70.9 24.2 12.0 73 77 X A E -b 9 0B 2 -65,-1.0 -63,-2.2 -30,-0.2 2,-0.4 -0.934 35.6-134.6-165.9 163.6 -72.3 22.7 8.8 74 78 X V + 0 0 17 -2,-0.3 208,-0.3 -65,-0.2 2,-0.1 -0.997 47.5 82.5-136.8 135.6 -71.5 19.7 6.6 75 79 X G + 0 0 4 -2,-0.4 -30,-0.1 206,-0.1 7,-0.1 -0.222 20.8 174.0 142.4 131.5 -71.1 19.3 2.8 76 80 X W B >> -K 80 0C 56 4,-0.6 4,-3.2 -2,-0.1 3,-2.3 -0.505 6.1-177.6-157.1 83.7 -68.7 19.8 -0.1 77 81 X P T 34 S+ 0 0 81 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 0.715 79.7 72.4 -63.9 -25.8 -70.1 18.4 -3.4 78 82 X D T 34 S+ 0 0 116 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.869 123.3 6.8 -49.9 -40.9 -66.9 19.3 -5.1 79 83 X K T <4 S+ 0 0 130 -3,-2.3 -1,-0.1 1,-0.3 0, 0.0 0.669 131.3 41.6-122.6 -25.1 -65.3 16.4 -3.3 80 84 X V B < S-K 76 0C 0 -4,-3.2 -4,-0.6 3,-0.0 -1,-0.3 -0.981 81.9-112.7-134.4 124.4 -68.0 14.4 -1.4 81 85 X P > - 0 0 67 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.200 33.0-122.5 -51.5 135.5 -71.5 13.4 -2.6 82 86 X D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.850 107.1 48.0 -58.5 -42.0 -74.1 15.3 -0.5 83 87 X H H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.963 108.9 54.4 -62.6 -51.8 -76.0 12.3 0.9 84 88 X I H > S+ 0 0 60 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.884 113.5 43.2 -44.1 -45.6 -72.8 10.5 1.9 85 89 X S H < S+ 0 0 2 -4,-1.8 4,-0.5 2,-0.2 5,-0.5 0.886 117.6 41.8 -78.2 -43.5 -71.7 13.5 3.9 86 90 X L H ><>S+ 0 0 44 -4,-2.3 5,-3.0 -5,-0.2 3,-0.7 0.933 119.4 44.0 -67.5 -47.2 -75.0 14.4 5.6 87 91 X W H 3<5S+ 0 0 70 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.794 111.9 54.6 -62.7 -29.8 -75.9 10.8 6.4 88 92 X G T 3<5S+ 0 0 15 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.542 127.4 3.8 -87.0 -8.4 -72.4 9.9 7.5 89 93 X S T <>5S+ 0 0 0 -3,-0.7 4,-2.1 -4,-0.5 3,-0.4 0.369 130.7 27.7-138.6 -90.4 -72.1 12.7 10.1 90 94 X L H >5S+ 0 0 4 -5,-0.5 4,-2.2 1,-0.2 5,-0.3 0.886 120.2 54.0 -57.4 -44.4 -74.8 15.2 11.1 91 95 X L H > S+ 0 0 75 -3,-0.4 4,-2.6 -6,-0.4 -1,-0.2 0.850 109.6 55.5 -68.0 -36.5 -76.1 10.1 12.4 93 97 X F H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 6,-0.3 0.997 113.1 37.6 -53.8 -72.2 -75.8 12.8 15.2 94 98 X R H <>S+ 0 0 5 -4,-2.2 5,-1.9 1,-0.2 -1,-0.2 0.803 124.7 45.3 -49.4 -32.8 -79.5 13.8 15.2 95 99 X R H ><5S+ 0 0 71 -4,-1.6 3,-1.9 -5,-0.3 -2,-0.2 0.991 115.7 37.9 -81.4 -66.3 -80.4 10.1 14.6 96 100 X E H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.285 118.2 52.5 -72.4 10.4 -78.3 8.1 17.1 97 101 X F T 3<5S- 0 0 2 -4,-0.7 -1,-0.3 -3,-0.1 -2,-0.2 0.201 106.8-125.2-127.4 6.4 -78.7 10.8 19.8 98 102 X D T < 5 + 0 0 51 -3,-1.9 2,-1.5 1,-0.2 -3,-0.2 0.823 50.0 160.6 51.7 41.1 -82.5 10.8 19.5 99 103 X Q < + 0 0 0 -5,-1.9 168,-0.2 -6,-0.3 -1,-0.2 -0.583 6.9 162.1 -89.2 73.6 -82.6 14.6 18.9 100 104 X Y + 0 0 19 -2,-1.5 32,-1.7 166,-0.3 2,-0.5 0.620 47.0 75.1 -80.9 -16.6 -86.1 14.4 17.4 101 105 X V E -EF 131 266B 0 165,-1.2 165,-2.3 30,-0.2 2,-0.4 -0.842 53.8-178.2 -95.7 132.4 -87.0 18.1 17.7 102 106 X N E -EF 130 265B 3 28,-1.4 28,-2.7 -2,-0.5 2,-0.3 -0.915 12.7-170.6-127.3 106.1 -85.5 20.6 15.3 103 107 X I E -EF 129 264B 18 161,-1.9 161,-1.5 -2,-0.4 26,-0.2 -0.741 15.3-175.1-104.6 143.6 -86.7 24.1 16.0 104 108 X R - 0 0 1 24,-1.6 2,-0.2 -2,-0.3 159,-0.1 -0.776 15.0-152.8-137.3 89.3 -86.2 27.2 13.9 105 109 X P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 22,-0.3 -0.440 13.8-155.6 -63.1 130.5 -87.4 30.5 15.6 106 110 X V E +L 126 0D 4 20,-4.8 20,-2.3 -2,-0.2 2,-0.3 -0.951 25.5 147.9-117.5 128.1 -88.4 33.0 12.9 107 111 X R E -L 125 0D 85 -2,-0.5 2,-0.6 18,-0.2 18,-0.2 -0.994 46.7-123.5-155.9 151.3 -88.4 36.7 13.6 108 112 X L - 0 0 12 16,-1.0 16,-0.2 -2,-0.3 3,-0.1 -0.934 33.1-147.9 -94.1 116.2 -87.8 40.3 12.2 109 113 X F > - 0 0 8 -2,-0.6 3,-2.3 1,-0.1 13,-0.1 -0.782 44.5 -72.6 -88.3 127.4 -85.2 41.9 14.4 110 114 X P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 221,-0.0 0.253 120.1 2.0 -19.0 107.4 -85.6 45.7 14.8 111 115 X G T 3 S+ 0 0 57 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.489 85.4 150.9 86.1 6.6 -84.7 47.2 11.4 112 116 X V < - 0 0 13 -3,-2.3 -1,-0.3 1,-0.1 144,-0.1 -0.479 56.8 -98.6 -63.6 136.9 -83.9 44.1 9.4 113 117 X P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.173 38.2-127.7 -52.0 154.0 -84.6 44.6 5.6 114 118 X C - 0 0 54 1,-0.1 4,-0.1 -3,-0.1 142,-0.1 -0.867 26.4-176.8-122.0 102.0 -88.0 43.2 4.5 115 119 X A S S+ 0 0 70 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 -0.019 82.4 68.9 -77.8 28.0 -88.4 40.8 1.5 116 120 X L S S- 0 0 25 3,-0.1 3,-0.2 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17.0-148.6-130.2 117.9 -87.7 5.6 -1.8 156 160 X E - 0 0 84 -16,-1.8 2,-0.5 -2,-0.4 -16,-0.4 -0.721 2.9-158.5 -84.7 127.7 -89.6 4.7 1.4 157 161 X S - 0 0 53 -2,-0.5 2,-0.5 -19,-0.1 -21,-0.2 -0.877 16.2-162.0 -89.8 134.6 -91.1 7.4 3.7 158 162 X I B -M 135 0E 71 -23,-1.5 -23,-2.1 -2,-0.5 2,-0.4 -0.975 12.2-179.2-123.5 117.5 -91.6 5.8 7.2 159 163 X F - 0 0 32 -2,-0.5 2,-0.3 -25,-0.2 -2,-0.0 -0.944 10.2-169.9-110.0 135.9 -93.9 7.4 9.8 160 164 X T > - 0 0 45 -2,-0.4 4,-1.9 1,-0.1 5,-0.3 -0.890 34.6-118.3-122.1 158.1 -94.2 5.8 13.2 161 165 X R H > S+ 0 0 148 -2,-0.3 4,-1.7 3,-0.2 5,-0.2 0.828 112.4 51.1 -60.3 -35.0 -96.5 6.3 16.1 162 166 X R H > S+ 0 0 198 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.996 111.8 40.0 -67.4 -64.7 -93.6 7.2 18.3 163 167 X G H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.852 122.3 44.0 -55.2 -39.1 -91.7 9.8 16.2 164 168 X V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.981 114.8 46.1 -71.4 -59.6 -95.0 11.5 15.2 165 169 X D H X S+ 0 0 39 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.928 115.6 48.2 -45.4 -52.5 -96.7 11.4 18.6 166 170 X R H X S+ 0 0 64 -4,-3.1 4,-2.0 1,-0.3 -1,-0.2 0.840 114.0 43.3 -67.1 -38.8 -93.6 12.7 20.3 167 171 X I H < S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.766 114.3 52.7 -72.9 -27.1 -92.9 15.6 17.8 168 172 X L H >X S+ 0 0 1 -4,-2.6 4,-0.7 -5,-0.2 3,-0.5 0.896 109.6 48.6 -75.7 -35.5 -96.6 16.4 17.9 169 173 X K H >< S+ 0 0 110 -4,-2.6 2,-4.7 -5,-0.3 3,-2.9 0.993 102.0 61.8 -58.3 -64.9 -96.6 16.6 21.7 170 174 X Y T 3< S+ 0 0 41 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.029 107.4 47.8 -52.8 36.1 -93.6 18.8 21.8 171 175 X A T <4 S+ 0 0 0 -2,-4.7 -1,-0.3 -3,-0.5 -2,-0.2 0.357 99.0 59.6-156.1 -25.3 -95.7 21.4 19.9 172 176 X F S << S+ 0 0 1 -3,-2.9 -2,-0.2 -4,-0.7 -3,-0.1 -0.020 113.7 48.6 -88.2 24.0 -98.8 21.4 21.8 173 177 X D S > S+ 0 0 32 -4,-0.1 4,-0.8 -5,-0.1 -3,-0.1 0.593 101.1 53.3-128.7 -52.7 -96.3 22.4 24.4 174 178 X L T 4 S+ 0 0 42 1,-0.2 7,-0.1 2,-0.2 -2,-0.1 0.557 121.1 40.7 -64.9 -4.7 -94.2 25.2 22.9 175 179 X A T >4 S+ 0 0 0 6,-0.1 3,-1.0 5,-0.1 -1,-0.2 0.670 101.4 66.6-106.6 -34.4 -97.7 26.6 22.3 176 180 X E T 34 S+ 0 0 74 1,-0.3 -2,-0.2 5,-0.1 -3,-0.1 0.627 105.5 52.7 -54.9 -11.8 -99.0 25.6 25.8 177 181 X K T 3< S+ 0 0 125 -4,-0.8 2,-0.3 0, 0.0 -1,-0.3 -0.383 99.7 76.2-123.9 52.6 -96.4 28.2 26.8 178 182 X R S < S- 0 0 65 -3,-1.0 -3,-0.1 1,-0.1 57,-0.0 -0.978 80.2-105.1-157.6 171.2 -97.2 31.4 24.7 179 183 X E S S+ 0 0 185 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.899 119.2 25.1 -63.5 -45.4 -99.4 34.4 24.1 180 184 X R S S- 0 0 130 2,-0.1 34,-0.2 -3,-0.1 -1,-0.2 0.828 78.6-161.4 -90.4 -38.8 -101.2 33.0 21.1 181 185 X K + 0 0 70 1,-0.2 33,-2.0 -7,-0.1 2,-0.3 0.849 38.3 148.7 53.7 39.1 -101.0 29.2 21.7 182 186 X H E -h 214 0B 40 31,-0.2 54,-1.7 51,-0.1 2,-0.4 -0.820 30.4-162.4-107.2 145.1 -101.8 28.5 18.0 183 187 X V E -hi 215 236B 1 31,-2.4 33,-2.4 -2,-0.3 2,-0.6 -0.984 10.1-168.9-127.9 130.6 -100.5 25.5 16.0 184 188 X T E -hi 216 237B 1 52,-2.7 54,-1.6 -2,-0.4 2,-0.4 -0.972 13.6-156.9-114.9 114.7 -100.4 25.0 12.3 185 189 X S E -hi 217 238B 2 31,-2.3 33,-1.7 -2,-0.6 2,-0.4 -0.756 15.7-134.0 -81.4 132.7 -99.6 21.4 11.4 186 190 X A E +h 218 0B 0 52,-2.7 2,-0.3 -2,-0.4 54,-0.2 -0.737 38.1 152.6 -85.7 138.7 -98.1 21.1 7.9 187 191 X T E -h 219 0B 0 31,-1.3 33,-3.0 -2,-0.4 9,-0.0 -0.918 42.6-156.9-148.9 173.9 -99.5 18.4 5.6 188 192 X K >> + 0 0 44 -2,-0.3 4,-1.5 31,-0.2 3,-0.7 -0.271 33.9 156.9-147.1 52.3 -100.1 17.4 2.0 189 193 X S T 34 S+ 0 0 33 1,-0.3 30,-0.0 7,-0.2 0, 0.0 0.228 70.0 54.7 -75.2 15.6 -102.9 15.0 2.6 190 194 X N T 34 S+ 0 0 99 6,-0.0 -1,-0.3 7,-0.0 3,-0.0 0.691 115.7 35.2-106.6 -39.7 -104.2 15.3 -0.9 191 195 X G T <4 S+ 0 0 54 -3,-0.7 2,-0.4 1,-0.1 -2,-0.2 0.987 117.2 50.0 -70.2 -72.6 -100.9 14.4 -2.7 192 196 X M S < S- 0 0 69 -4,-1.5 -1,-0.1 1,-0.2 -4,-0.1 -0.600 71.6-171.3 -69.2 122.6 -99.5 11.8 -0.3 193 197 X A S S+ 0 0 80 -2,-0.4 -1,-0.2 3,-0.1 -4,-0.1 0.508 76.1 27.1-101.6 -5.9 -102.4 9.5 0.2 194 198 X I S > S+ 0 0 147 3,-0.1 4,-1.0 4,-0.0 5,-0.1 0.719 121.6 41.6-118.6 -52.5 -101.0 7.3 3.0 195 199 X S H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.1 3,-0.2 0.958 115.6 44.1 -64.5 -54.5 -98.5 9.3 5.0 196 200 X M H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.936 109.4 52.7 -67.5 -45.9 -100.2 12.7 5.3 197 201 X P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 112.9 49.1 -51.7 -35.8 -103.7 11.5 6.1 198 202 X Y H X S+ 0 0 72 -4,-1.0 4,-2.4 -3,-0.2 5,-0.3 0.966 108.2 51.1 -67.4 -54.2 -102.1 9.5 8.9 199 203 X W H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.934 113.2 47.0 -43.6 -54.1 -100.1 12.4 10.1 200 204 X D H X S+ 0 0 24 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.853 105.8 58.7 -56.9 -40.2 -103.4 14.4 10.2 201 205 X K H X S+ 0 0 152 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.953 114.7 37.0 -53.2 -49.7 -105.1 11.4 12.0 202 206 X R H X S+ 0 0 39 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.734 113.3 56.0 -77.4 -29.5 -102.5 11.9 14.8 203 207 X T H >X S+ 0 0 3 -4,-2.5 3,-0.8 -5,-0.3 4,-0.7 0.990 113.2 43.1 -56.7 -59.5 -102.4 15.7 14.6 204 208 X E H >X S+ 0 0 117 -4,-2.6 3,-1.0 1,-0.3 4,-0.9 0.852 108.7 58.5 -54.1 -44.0 -106.2 15.6 15.2 205 209 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