==== 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 ELECTRON TRANSPORT 06-NOV-08 3F6R . COMPND 2 MOLECULE: FLAVODOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS; . AUTHOR M.GUELKER,Y.SHAMOO . 588 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.4 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 . 0 0.0 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 . 30 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 4 0 0 0 4 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 1 3 4 8 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 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 4 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 2 A S 0 0 55 0, 0.0 30,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 167.7 11.9 -2.6 15.6 2 3 A K E -a 31 0A 56 28,-0.2 48,-2.3 46,-0.1 49,-1.6 -0.929 360.0-175.4-111.0 121.4 9.8 -0.3 13.5 3 4 A V E -ab 32 51A 0 28,-3.0 30,-2.7 -2,-0.6 2,-0.5 -0.948 10.4-161.3-122.5 129.1 10.7 0.1 9.8 4 5 A L E -ab 33 52A 1 47,-2.1 49,-2.6 -2,-0.4 2,-0.5 -0.937 6.3-166.6-110.1 130.0 9.1 2.4 7.3 5 6 A I E +ab 34 53A 0 28,-3.6 30,-3.1 -2,-0.5 2,-0.4 -0.970 9.0 176.6-120.1 121.2 9.6 1.8 3.6 6 7 A V E +ab 35 54A 0 47,-2.6 49,-2.8 -2,-0.5 2,-0.3 -0.978 6.7 175.3-126.6 136.6 8.7 4.5 1.0 7 8 A F E -ab 36 55A 5 28,-1.6 30,-2.8 -2,-0.4 2,-0.4 -0.944 28.1-150.3-139.9 159.0 9.2 4.2 -2.8 8 9 A G E + b 0 56A 0 47,-1.6 49,-1.1 -2,-0.3 2,-0.4 -0.992 28.7 171.4-127.0 121.7 8.6 6.0 -6.1 9 10 A S - 0 0 15 -2,-0.4 -2,-0.0 47,-0.1 47,-0.0 -0.996 21.5-179.4-139.9 126.1 8.2 3.6 -9.0 10 11 A S S S+ 0 0 73 -2,-0.4 -1,-0.1 58,-0.0 0, 0.0 0.869 91.5 18.8 -91.8 -46.5 7.2 4.2 -12.6 11 12 A T S S- 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.654 112.0-102.2-100.8 -16.2 7.3 0.8 -14.2 12 13 A G S > S+ 0 0 19 -4,-0.0 4,-2.7 116,-0.0 5,-0.1 0.370 90.2 110.5 115.0 -3.5 7.2 -1.3 -11.0 13 14 A N H > S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 116,-0.1 0.895 84.6 42.5 -70.9 -42.4 10.8 -2.4 -10.5 14 15 A T H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.753 114.0 55.1 -74.7 -24.1 11.5 -0.3 -7.4 15 16 A E H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.974 105.0 51.3 -67.3 -56.0 8.1 -1.3 -6.1 16 17 A S H X S+ 0 0 27 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.818 111.0 49.1 -47.1 -40.0 9.0 -5.0 -6.5 17 18 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.849 109.3 51.6 -71.9 -36.1 12.2 -4.4 -4.5 18 19 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 -3,-0.5 -2,-0.2 0.761 109.6 50.0 -73.3 -25.9 10.3 -2.5 -1.7 19 20 A Q H X S+ 0 0 94 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.896 111.5 47.3 -78.3 -41.4 7.8 -5.3 -1.3 20 21 A K H X S+ 0 0 81 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.913 111.9 51.3 -62.1 -43.6 10.5 -8.0 -1.1 21 22 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.873 107.0 53.6 -61.3 -38.8 12.3 -5.8 1.4 22 23 A E H X S+ 0 0 63 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.872 109.9 49.1 -62.5 -36.0 9.1 -5.5 3.4 23 24 A E H X S+ 0 0 112 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.850 111.3 47.5 -73.3 -34.8 8.9 -9.3 3.5 24 25 A L H < S+ 0 0 52 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.846 116.2 41.7 -79.7 -33.9 12.5 -9.9 4.6 25 26 A I H ><>S+ 0 0 0 -4,-1.9 3,-1.5 2,-0.2 5,-1.3 0.922 112.2 53.4 -80.4 -45.7 12.5 -7.4 7.4 26 27 A A H ><5S+ 0 0 46 -4,-1.8 3,-1.4 -5,-0.3 -2,-0.2 0.859 105.5 57.7 -50.6 -37.3 9.1 -8.3 8.7 27 28 A A T 3<5S+ 0 0 83 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.753 95.5 64.9 -66.7 -23.6 10.4 -11.9 8.7 28 29 A G T < 5S- 0 0 43 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.420 127.9 -92.8 -81.4 1.1 13.2 -10.7 11.1 29 30 A G T < 5S+ 0 0 67 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.557 87.4 126.1 100.8 12.3 10.6 -9.9 13.8 30 31 A H < - 0 0 34 -5,-1.3 2,-0.7 -28,-0.0 -1,-0.3 -0.727 63.5-118.6-108.1 152.1 10.2 -6.2 12.9 31 32 A E E -a 2 0A 121 -30,-2.6 -28,-3.0 -2,-0.3 2,-0.4 -0.810 34.5-166.1 -89.9 112.2 7.1 -4.2 12.1 32 33 A V E -a 3 0A 20 -2,-0.7 2,-0.5 -30,-0.2 -28,-0.2 -0.847 10.2-162.8-103.3 135.5 7.3 -2.9 8.5 33 34 A T E -a 4 0A 27 -30,-2.7 -28,-3.6 -2,-0.4 2,-0.5 -0.984 9.5-158.5-116.0 124.5 5.1 -0.2 7.0 34 35 A L E +a 5 0A 44 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.897 15.7 172.5-108.2 122.2 5.1 0.1 3.2 35 36 A L E -a 6 0A 4 -30,-3.1 -28,-1.6 -2,-0.5 2,-0.6 -0.984 32.9-134.0-129.9 138.1 4.0 3.3 1.4 36 37 A N E >> -a 7 0A 41 -2,-0.4 3,-3.5 -30,-0.2 4,-0.9 -0.831 28.3-131.5 -79.9 122.8 4.0 4.5 -2.1 37 38 A A T 34 S+ 0 0 6 -30,-2.8 -29,-0.1 -2,-0.6 -1,-0.1 0.691 106.2 66.5 -49.1 -23.7 5.5 8.0 -1.9 38 39 A A T 34 S+ 0 0 40 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.677 107.5 38.8 -71.3 -18.5 2.5 9.1 -4.0 39 40 A D T <4 S+ 0 0 28 -3,-3.5 298,-3.6 297,-0.1 2,-0.3 0.601 96.4 101.8-106.0 -17.0 0.2 8.3 -1.1 40 41 A A B < -F 336 0B 8 -4,-0.9 2,-0.6 296,-0.2 296,-0.2 -0.545 58.9-146.9 -86.6 130.0 2.3 9.5 1.8 41 42 A S - 0 0 41 294,-2.2 -3,-0.0 -2,-0.3 -2,-0.0 -0.836 14.0-151.1 -87.7 124.4 1.8 12.7 3.8 42 43 A A > + 0 0 4 -2,-0.6 3,-3.3 2,-0.1 4,-0.3 0.848 56.0 118.0 -67.8 -37.5 5.3 13.7 4.8 43 44 A E T 3 S- 0 0 128 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.030 103.9 -24.9 -41.6 111.5 4.4 15.6 8.0 44 45 A N T > S+ 0 0 91 35,-2.8 3,-1.4 1,-0.1 -1,-0.3 0.731 90.8 152.8 56.9 25.5 6.1 13.7 10.9 45 46 A L T < + 0 0 10 -3,-3.3 36,-0.1 1,-0.3 -2,-0.1 0.808 66.5 50.6 -56.6 -36.0 6.1 10.6 8.7 46 47 A A T > S+ 0 0 0 34,-2.0 3,-2.5 -4,-0.3 -1,-0.3 0.606 78.1 122.1 -80.6 -13.1 9.2 9.1 10.4 47 48 A D T < S+ 0 0 93 -3,-1.4 3,-0.1 33,-0.5 35,-0.0 -0.294 80.3 18.0 -57.7 129.9 8.0 9.5 13.9 48 49 A G T 3 S+ 0 0 38 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.066 99.7 118.2 99.2 -22.1 8.0 6.1 15.7 49 50 A Y < - 0 0 15 -3,-2.5 -1,-0.2 1,-0.1 -46,-0.2 -0.653 49.0-164.1 -92.2 130.3 10.3 4.5 13.1 50 51 A D S S+ 0 0 75 -48,-2.3 36,-1.4 -2,-0.4 2,-0.3 0.806 82.7 11.0 -76.4 -32.2 13.7 3.1 14.0 51 52 A A E -bc 3 86A 0 -49,-1.6 -47,-2.1 34,-0.2 2,-0.4 -0.981 63.5-155.6-141.4 155.3 14.7 3.0 10.4 52 53 A V E -bc 4 87A 0 34,-2.1 36,-1.5 -2,-0.3 2,-0.4 -0.961 7.0-160.3-134.0 121.0 13.4 4.4 7.1 53 54 A L E -bc 5 88A 0 -49,-2.6 -47,-2.6 -2,-0.4 2,-0.5 -0.837 8.0-158.2 -99.1 130.9 14.2 2.9 3.7 54 55 A F E -bc 6 89A 0 34,-2.3 36,-2.3 -2,-0.4 2,-0.4 -0.936 5.5-168.7-112.7 126.9 13.8 5.0 0.5 55 56 A G E +bc 7 90A 0 -49,-2.8 -47,-1.6 -2,-0.5 2,-0.3 -0.930 17.7 153.6-114.6 137.3 13.3 3.6 -3.0 56 57 A C E -b 8 0A 0 34,-1.3 47,-0.2 -2,-0.4 -47,-0.1 -0.867 31.1-138.1-167.6 122.3 13.5 5.7 -6.1 57 58 A S - 0 0 11 -49,-1.1 10,-1.7 -2,-0.3 2,-0.4 -0.482 23.7-124.7 -83.2 156.1 14.3 5.1 -9.8 58 59 A A E +G 66 0C 32 34,-0.6 8,-0.2 8,-0.2 43,-0.1 -0.831 38.0 152.3-104.8 141.0 16.4 7.6 -11.8 59 60 A W E +G 65 0C 125 6,-3.0 6,-0.6 -2,-0.4 43,-0.1 -0.184 9.2 123.9-133.9-137.8 15.3 9.1 -15.1 60 61 A G - 0 0 24 4,-0.2 5,-0.1 -2,-0.1 -2,-0.0 0.550 55.5-120.9 77.8 133.9 16.0 12.4 -17.1 61 62 A M S S+ 0 0 183 3,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.865 102.9 7.8 -73.2 -38.0 17.2 12.7 -20.6 62 63 A E S S+ 0 0 77 1,-0.2 3,-0.1 0, 0.0 151,-0.0 0.690 129.6 14.5-107.6 -95.5 20.3 14.7 -19.6 63 64 A D S S- 0 0 25 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.086 102.2 -67.0 -72.1-177.8 21.1 15.1 -15.9 64 65 A L - 0 0 25 -3,-0.1 2,-0.4 159,-0.1 -4,-0.2 -0.633 49.4-176.5 -82.3 125.3 19.5 12.9 -13.2 65 66 A E E -G 59 0C 104 -6,-0.6 -6,-3.0 -2,-0.4 38,-0.1 -0.991 22.0-128.9-119.0 129.1 15.8 13.4 -12.5 66 67 A M E -G 58 0C 17 -2,-0.4 -8,-0.2 -8,-0.2 -6,-0.1 -0.401 37.6 -84.9 -74.3 151.0 14.0 11.5 -9.7 67 68 A Q >> - 0 0 7 -10,-1.7 4,-2.8 -59,-0.2 3,-0.5 -0.323 46.2-123.1 -51.9 137.7 10.9 9.5 -10.2 68 69 A D H 3> S+ 0 0 105 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.653 105.5 53.3 -74.7 -22.5 8.1 12.0 -9.9 69 70 A D H 3> S+ 0 0 57 2,-0.2 4,-0.7 3,-0.1 -1,-0.3 0.818 116.2 42.2 -75.9 -33.9 6.0 10.4 -7.0 70 71 A F H X> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 3,-1.3 0.960 109.2 58.3 -71.0 -54.2 9.2 10.3 -5.0 71 72 A L H 3X S+ 0 0 23 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.873 101.6 54.5 -41.2 -54.3 10.4 13.8 -6.0 72 73 A S H 3< S+ 0 0 71 -4,-1.4 4,-0.5 1,-0.3 -1,-0.3 0.845 114.6 41.6 -53.5 -37.1 7.2 15.4 -4.7 73 74 A L H X< S+ 0 0 8 -3,-1.3 3,-1.1 -4,-0.7 -1,-0.3 0.842 107.3 61.7 -75.3 -36.7 8.0 13.7 -1.3 74 75 A F H >< S+ 0 0 5 -4,-2.8 3,-2.0 1,-0.3 4,-0.2 0.913 96.3 60.9 -57.8 -42.5 11.7 14.5 -1.6 75 76 A E T 3< S+ 0 0 60 -4,-2.6 3,-0.4 1,-0.3 -1,-0.3 0.854 107.1 46.2 -47.5 -37.7 10.8 18.2 -1.6 76 77 A E T X + 0 0 53 -3,-1.1 3,-2.4 -4,-0.5 4,-0.5 0.206 69.9 116.4 -99.8 13.3 9.2 17.7 1.9 77 78 A F G X> + 0 0 2 -3,-2.0 3,-1.2 184,-0.3 4,-0.6 0.796 68.6 71.8 -49.1 -29.8 12.0 15.7 3.5 78 79 A D G 34 S+ 0 0 67 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.747 100.0 42.4 -57.8 -29.3 12.3 18.7 5.9 79 80 A R G <4 S+ 0 0 120 -3,-2.4 -35,-2.8 1,-0.1 -1,-0.2 0.441 93.6 84.8 -99.0 -2.9 9.0 17.8 7.6 80 81 A I T <4 S- 0 0 1 -3,-1.2 -34,-2.0 -4,-0.5 -33,-0.5 0.885 91.7-124.6 -72.7 -40.1 9.6 14.1 7.8 81 82 A G < + 0 0 33 -4,-0.6 -3,-0.1 -35,-0.1 -2,-0.1 0.844 49.7 155.4 97.9 45.3 11.7 14.0 11.1 82 83 A L > + 0 0 4 -5,-0.4 3,-2.3 2,-0.1 35,-0.2 0.608 27.1 125.0 -80.0 -13.1 14.8 12.2 10.0 83 84 A A T 3 S- 0 0 74 1,-0.3 33,-0.2 33,-0.1 32,-0.2 -0.252 86.8 -1.8 -58.9 120.5 17.1 13.6 12.7 84 85 A G T 3 S+ 0 0 73 31,-3.4 -1,-0.3 1,-0.3 2,-0.2 0.564 107.7 120.5 78.6 8.2 18.8 10.9 14.7 85 86 A R < - 0 0 53 -3,-2.3 32,-2.4 30,-0.2 2,-0.3 -0.668 66.3-109.2-102.8 160.4 17.1 8.1 12.8 86 87 A K E +cd 51 117A 78 -36,-1.4 -34,-2.1 -2,-0.2 2,-0.3 -0.682 40.4 176.0 -90.0 143.3 18.5 5.3 10.7 87 88 A V E +cd 52 118A 0 30,-2.7 32,-2.8 -2,-0.3 33,-0.5 -0.972 14.1 174.3-145.5 151.3 18.1 5.4 6.9 88 89 A A E -c 53 0A 0 -36,-1.5 -34,-2.3 -2,-0.3 2,-0.3 -0.971 17.6-140.8-152.7 159.3 19.1 3.5 3.7 89 90 A A E +c 54 0A 0 31,-0.4 34,-2.1 -2,-0.3 2,-0.3 -0.928 16.3 175.5-126.3 149.5 18.3 3.8 0.1 90 91 A F E +ce 55 123A 0 -36,-2.3 -34,-1.3 -2,-0.3 2,-0.3 -0.897 6.6 169.2-140.3 168.2 17.7 1.3 -2.8 91 92 A A E - e 0 124A 0 32,-0.9 34,-1.1 -2,-0.3 2,-0.4 -0.981 32.1-118.4-169.4 161.7 16.6 1.6 -6.4 92 93 A S E + e 0 125A 9 -2,-0.3 -34,-0.6 32,-0.1 2,-0.2 -0.902 47.0 150.8-105.5 146.6 16.2 -0.1 -9.8 93 94 A G E - e 0 126A 24 32,-2.0 34,-0.6 -2,-0.4 2,-0.4 -0.834 43.7 -97.9-156.7-168.5 18.3 1.2 -12.6 94 95 A D > - 0 0 58 -2,-0.2 3,-2.2 5,-0.2 7,-0.1 -0.948 12.5-155.9-135.2 109.7 20.1 0.6 -15.9 95 96 A Q T 3 S+ 0 0 121 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.815 91.3 75.0 -50.9 -33.6 23.8 -0.0 -16.1 96 97 A E T 3 S+ 0 0 173 -3,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.518 86.8 82.9 -63.3 -0.6 23.8 1.2 -19.7 97 98 A Y S < S- 0 0 157 -3,-2.2 3,-0.3 1,-0.1 -4,-0.0 -0.668 84.5-124.6-102.8 161.0 23.4 4.7 -18.2 98 99 A E S S+ 0 0 183 1,-0.2 2,-1.0 -2,-0.2 -1,-0.1 0.936 104.1 45.0 -68.8 -49.8 26.2 7.0 -16.9 99 100 A H S > S- 0 0 75 -3,-0.0 3,-1.2 -5,-0.0 -1,-0.2 -0.746 84.0-153.1-100.7 87.1 24.7 7.5 -13.4 100 101 A F T 3 S- 0 0 42 -2,-1.0 -5,-0.1 -3,-0.3 4,-0.1 -0.422 76.6 -19.6 -63.0 122.7 23.6 4.1 -12.3 101 102 A C T > S+ 0 0 2 -2,-0.2 3,-1.2 1,-0.1 -1,-0.3 0.908 80.8 174.1 39.3 58.3 20.8 4.4 -9.8 102 103 A G T <> + 0 0 11 -3,-1.2 4,-1.3 1,-0.3 -1,-0.1 0.674 66.8 71.7 -68.8 -17.9 21.8 8.1 -9.2 103 104 A A H 3> S+ 0 0 0 -47,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.836 89.8 63.7 -64.4 -32.5 18.7 8.6 -7.0 104 105 A V H <> S+ 0 0 1 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.943 104.1 40.2 -59.9 -57.9 20.4 6.4 -4.3 105 106 A P H > S+ 0 0 46 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.875 115.3 56.1 -57.7 -37.0 23.5 8.6 -3.5 106 107 A A H X S+ 0 0 3 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.907 107.8 46.0 -61.9 -45.9 21.2 11.7 -3.7 107 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.897 110.1 54.7 -63.0 -42.5 18.8 10.3 -1.1 108 109 A E H X S+ 0 0 33 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.824 110.0 46.7 -62.9 -31.8 21.7 9.4 1.2 109 110 A E H X S+ 0 0 56 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.919 111.2 48.1 -80.6 -44.7 23.1 12.9 1.1 110 111 A R H X S+ 0 0 2 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.871 113.4 51.4 -57.6 -38.9 19.8 14.7 1.7 111 112 A A H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.2 -2,-0.2 0.887 109.9 46.9 -68.8 -40.3 19.2 12.3 4.6 112 113 A K H ><5S+ 0 0 117 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.854 109.0 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38.1-122.1 -54.7 133.9 22.6 1.9 -1.1 123 124 A L E -e 90 0A 12 -34,-2.1 -32,-0.9 -3,-0.1 2,-0.4 -0.688 33.6-179.3 -74.8 123.5 21.2 -1.0 -3.0 124 125 A K E +e 91 0A 99 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.1 -0.978 17.7 136.0-127.8 118.3 21.7 -0.6 -6.8 125 126 A M E -e 92 0A 4 -34,-1.1 -32,-2.0 -2,-0.4 2,-0.3 -0.940 44.8-107.5-151.9 171.9 20.5 -3.2 -9.2 126 127 A E E S-e 93 0A 69 -2,-0.3 -32,-0.1 -34,-0.2 5,-0.1 -0.752 73.4 -0.7-105.0 154.4 18.7 -3.8 -12.5 127 128 A G S S- 0 0 22 -34,-0.6 -34,-0.1 -2,-0.3 -2,-0.1 -0.126 100.2 -39.7 69.6-165.6 15.2 -5.1 -13.1 128 129 A D S > S- 0 0 62 -112,-0.1 3,-0.7 -36,-0.1 4,-0.2 -0.002 70.7 -84.0 -81.5-168.1 12.8 -6.2 -10.4 129 130 A A G > S+ 0 0 7 1,-0.2 3,-1.4 2,-0.2 7,-0.2 0.849 126.8 58.9 -70.3 -35.5 13.5 -8.1 -7.2 130 131 A S G 3 S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.650 96.7 65.8 -66.3 -15.2 13.3 -11.5 -8.9 131 132 A N G < S+ 0 0 98 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.587 120.9 11.9 -84.3 -12.5 16.1 -10.3 -11.2 132 133 A D <> + 0 0 52 -3,-1.4 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4,-0.6 1,-0.2 -2,-0.2 0.885 114.6 46.3 -50.7 -47.0 22.9 -5.2 6.2 143 144 A V H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.4 0.961 109.2 53.1 -61.6 -56.1 19.8 -3.4 7.3 144 145 A L H >< S+ 0 0 42 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.887 105.7 54.4 -46.6 -49.1 18.6 -6.0 9.8 145 146 A K H 3< S+ 0 0 130 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.676 105.2 53.1 -66.9 -19.1 22.0 -6.1 11.6 146 147 A Q T << 0 0 100 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.386 360.0 360.0 -94.8 2.1 21.9 -2.4 12.2 147 148 A L < 0 0 69 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 -0.204 360.0 360.0 -89.4 360.0 18.5 -2.5 13.9 148 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 149 2 B S 0 0 57 0, 0.0 30,-3.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.7 24.1 38.6 6.1 150 3 B K E -h 179 0D 62 28,-0.2 48,-1.7 46,-0.1 49,-1.5 -0.894 360.0-170.9-107.1 128.2 26.1 36.2 3.9 151 4 B V E -hi 180 199D 0 28,-3.2 30,-2.8 -2,-0.5 2,-0.4 -0.951 9.8-161.8-126.2 120.1 25.2 35.8 0.3 152 5 B L E -hi 181 200D 0 47,-2.3 49,-2.9 -2,-0.5 2,-0.4 -0.823 7.3-171.9 -95.0 134.7 26.5 33.3 -2.3 153 6 B I E +hi 182 201D 0 28,-2.9 30,-2.7 -2,-0.4 2,-0.4 -0.972 6.4 178.2-126.7 114.4 25.9 34.1 -6.0 154 7 B V E +hi 183 202D 0 47,-2.4 49,-2.9 -2,-0.4 2,-0.3 -0.965 8.2 177.6-122.2 130.7 26.8 31.4 -8.5 155 8 B F E -hi 184 203D 5 28,-1.8 30,-2.7 -2,-0.4 2,-0.4 -0.904 27.8-150.8-133.5 155.7 26.3 31.7 -12.3 156 9 B G E + i 0 204D 0 47,-2.0 49,-0.8 -2,-0.3 2,-0.3 -0.994 27.1 168.8-116.7 133.4 26.8 30.1 -15.7 157 10 B S - 0 0 18 -2,-0.4 -2,-0.0 47,-0.1 47,-0.0 -0.956 21.3-179.1-148.6 127.1 27.3 32.5 -18.7 158 11 B S S S+ 0 0 70 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.852 92.9 19.6 -90.5 -43.7 28.3 31.7 -22.2 159 12 B T S S- 0 0 106 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.607 113.0-103.3-104.3 -15.8 28.4 35.2 -23.8 160 13 B G S > S+ 0 0 20 -4,-0.0 4,-1.7 116,-0.0 5,-0.1 0.366 88.5 112.0 116.1 -3.5 28.6 37.2 -20.5 161 14 B N H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 116,-0.2 0.913 83.4 43.5 -68.7 -46.9 25.1 38.5 -20.0 162 15 B T H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.808 112.9 55.0 -66.1 -29.9 24.2 36.5 -16.9 163 16 B E H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.866 104.4 53.5 -70.8 -35.8 27.7 37.2 -15.6 164 17 B S H X S+ 0 0 28 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.884 109.8 47.9 -63.1 -42.3 27.0 40.9 -16.0 165 18 B I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.914 109.5 53.1 -64.8 -45.2 23.8 40.5 -13.9 166 19 B A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.885 109.1 48.6 -57.8 -43.3 25.7 38.5 -11.2 167 20 B Q H X S+ 0 0 97 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.868 112.0 48.7 -67.7 -37.4 28.3 41.2 -10.8 168 21 B K H X S+ 0 0 78 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.949 111.6 51.0 -64.3 -47.9 25.6 43.9 -10.5 169 22 B L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.918 107.6 51.6 -55.6 -50.6 23.8 41.8 -8.0 170 23 B E H X S+ 0 0 64 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.884 111.5 48.9 -52.6 -42.4 26.9 41.3 -5.9 171 24 B E H X S+ 0 0 108 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.904 112.2 46.6 -67.6 -43.5 27.4 45.1 -5.9 172 25 B L H < S+ 0 0 48 -4,-2.4 4,-0.2 2,-0.2 -2,-0.2 0.878 117.7 41.9 -66.2 -40.2 23.9 45.9 -4.9 173 26 B I H ><>S+ 0 0 0 -4,-2.5 5,-1.4 2,-0.2 3,-1.2 0.886 111.9 52.9 -79.1 -41.2 23.7 43.4 -2.1 174 27 B A H ><5S+ 0 0 47 -4,-2.4 3,-1.5 -5,-0.3 -1,-0.2 0.883 106.3 57.1 -54.5 -39.0 27.2 44.1 -0.8 175 28 B A T 3<5S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.646 94.6 66.2 -68.4 -16.2 26.0 47.7 -0.7 176 29 B G T < 5S- 0 0 40 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.277 128.1 -95.4 -87.3 9.8 23.1 46.5 1.6 177 30 B G T < 5S+ 0 0 67 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.566 85.7 131.7 88.7 12.1 25.7 45.7 4.3 178 31 B H < - 0 0 33 -5,-1.4 2,-0.8 -4,-0.1 -1,-0.3 -0.655 61.3-119.7-103.7 152.5 25.9 42.0 3.3 179 32 B E E -h 150 0D 118 -30,-3.4 -28,-3.2 -2,-0.2 2,-0.4 -0.818 36.4-165.4 -94.0 111.6 28.9 39.8 2.7 180 33 B V E -h 151 0D 23 -2,-0.8 2,-0.5 -30,-0.2 -28,-0.2 -0.787 15.3-164.4-106.4 137.5 28.8 38.5 -0.9 181 34 B T E -h 152 0D 37 -30,-2.8 -28,-2.9 -2,-0.4 2,-0.5 -0.978 10.2-161.3-119.2 118.0 30.7 35.7 -2.6 182 35 B L E +h 153 0D 45 -2,-0.5 2,-0.4 -30,-0.2 -28,-0.2 -0.875 14.9 174.4-104.0 126.6 30.6 35.7 -6.4 183 36 B L E -h 154 0D 47 -30,-2.7 -28,-1.8 -2,-0.5 2,-0.5 -0.994 32.8-134.3-136.4 133.1 31.5 32.4 -8.1 184 37 B N E >> -h 155 0D 43 -2,-0.4 3,-2.5 -30,-0.2 4,-0.9 -0.750 28.6-132.7 -76.6 125.8 31.6 31.2 -11.7 185 38 B A T 34 S+ 0 0 5 -30,-2.7 3,-0.5 -2,-0.5 -1,-0.1 0.792 103.7 66.4 -52.4 -30.3 30.0 27.8 -11.5 186 39 B A T 34 S+ 0 0 50 -31,-0.4 -1,-0.3 1,-0.2 -30,-0.1 0.744 106.7 39.1 -63.9 -25.7 32.8 26.4 -13.6 187 40 B D T <4 S+ 0 0 129 -3,-2.5 -1,-0.2 2,-0.0 -2,-0.2 0.614 98.8 105.0 -96.4 -14.0 35.3 27.1 -10.9 188 41 B A < - 0 0 22 -4,-0.9 2,-0.6 -3,-0.5 -5,-0.0 -0.421 59.1-145.2 -86.5 139.9 33.1 26.1 -8.0 189 42 B S - 0 0 89 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.885 8.4-155.6-102.4 113.3 33.1 22.9 -5.8 190 43 B A > + 0 0 3 -2,-0.6 3,-2.8 2,-0.1 2,-0.4 0.766 56.8 115.9 -59.2 -33.1 29.6 21.8 -4.8 191 44 B E T 3 S- 0 0 123 1,-0.3 37,-0.2 2,-0.1 -2,-0.1 -0.159 106.8 -26.8 -46.6 96.8 30.6 19.9 -1.7 192 45 B N T > S+ 0 0 89 35,-3.1 3,-1.4 -2,-0.4 -1,-0.3 0.699 91.4 152.2 70.6 21.0 28.9 21.9 1.1 193 46 B L T < + 0 0 25 -3,-2.8 36,-0.1 1,-0.3 -2,-0.1 0.830 66.6 50.8 -53.4 -39.7 29.0 25.0 -1.0 194 47 B A T > S+ 0 0 0 34,-2.4 3,-2.5 -4,-0.3 -1,-0.3 0.700 79.4 121.1 -75.1 -18.5 26.0 26.6 0.6 195 48 B D T < S+ 0 0 93 -3,-1.4 3,-0.1 33,-0.5 35,-0.1 -0.188 79.6 17.8 -54.7 127.1 27.2 26.2 4.2 196 49 B G T 3 S+ 0 0 35 1,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.293 99.6 117.9 95.1 -9.8 27.4 29.5 6.0 197 50 B Y < - 0 0 31 -3,-2.5 -1,-0.3 1,-0.1 -46,-0.2 -0.802 48.6-165.1 -98.5 129.5 25.2 31.3 3.5 198 51 B D S S+ 0 0 74 -48,-1.7 36,-1.4 -2,-0.5 2,-0.3 0.872 82.5 15.1 -74.6 -39.6 21.9 32.9 4.4 199 52 B A E -ij 151 234D 0 -49,-1.5 -47,-2.3 34,-0.1 2,-0.4 -0.970 63.6-158.4-131.5 152.5 20.9 33.1 0.8 200 53 B V E -ij 152 235D 0 34,-2.1 36,-1.8 -2,-0.3 2,-0.5 -0.989 6.9-163.3-128.5 124.4 22.1 31.6 -2.5 201 54 B L E -ij 153 236D 0 -49,-2.9 -47,-2.4 -2,-0.4 2,-0.5 -0.907 8.4-156.2-103.5 131.5 21.3 33.3 -5.9 202 55 B F E -ij 154 237D 0 34,-2.6 36,-2.9 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