==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 07-NOV-09 3KLB . COMPND 2 MOLECULE: PUTATIVE FLAVOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 0.6 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 . 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 2 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 2 0 1 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G > 0 0 52 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-164.7 41.2 20.6 14.3 2 1 A X G > + 0 0 38 1,-0.3 3,-0.8 160,-0.2 5,-0.1 0.771 360.0 50.2 -60.8 -35.0 42.7 18.6 17.2 3 2 A N G 3 S+ 0 0 109 1,-0.2 -1,-0.3 3,-0.1 26,-0.0 0.744 102.4 64.1 -71.5 -26.4 45.8 20.6 17.3 4 3 A D G < S+ 0 0 73 -3,-0.8 2,-0.3 2,-0.0 -1,-0.2 0.446 100.8 65.4 -75.4 1.0 43.7 23.8 17.3 5 4 A R S < S- 0 0 23 -3,-0.8 2,-0.7 -4,-0.2 74,-0.1 -0.914 70.7-133.9-133.8 144.8 42.2 22.9 20.8 6 5 A K - 0 0 62 -2,-0.3 75,-1.8 72,-0.1 74,-1.7 -0.916 46.3-169.7 -88.1 116.7 42.9 22.4 24.5 7 6 A I E -a 81 0A 8 -2,-0.7 25,-2.4 72,-0.2 2,-0.4 -0.877 23.9-165.7-119.9 140.4 41.1 19.2 25.1 8 7 A L E -ab 82 32A 4 73,-2.3 75,-2.8 -2,-0.4 2,-0.7 -0.994 7.7-158.8-119.8 126.6 40.1 17.1 28.2 9 8 A V E -ab 83 33A 0 23,-2.7 25,-2.5 -2,-0.4 2,-0.4 -0.942 16.7-174.9-100.6 108.8 39.0 13.5 27.8 10 9 A A E +ab 84 34A 0 73,-3.2 75,-2.4 -2,-0.7 2,-0.3 -0.806 9.1 173.7-102.4 142.2 37.0 12.7 31.0 11 10 A Y E -ab 85 35A 11 23,-2.3 25,-3.3 -2,-0.4 2,-0.4 -0.998 30.8-149.1-151.7 151.8 35.8 9.1 31.5 12 11 A F + 0 0 2 73,-2.0 2,-0.3 -2,-0.3 25,-0.1 -0.964 29.2 166.6-113.3 134.0 34.1 6.7 33.9 13 12 A S + 0 0 15 -2,-0.4 -2,-0.0 23,-0.4 73,-0.0 -0.945 21.6 175.3-153.1 130.3 35.1 3.0 33.6 14 13 A C S S+ 0 0 50 -2,-0.3 -1,-0.1 27,-0.1 33,-0.0 0.801 90.3 27.8-102.1 -44.5 34.6 0.0 35.8 15 14 A S S S- 0 0 105 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.283 109.4-110.1-105.4 16.2 36.0 -2.8 33.8 16 15 A G S > S+ 0 0 32 1,-0.0 4,-2.2 3,-0.0 5,-0.1 0.303 88.2 109.9 82.3 -5.2 38.6 -0.8 31.9 17 16 A V H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.942 85.9 39.7 -70.3 -48.7 37.0 -1.0 28.4 18 17 A T H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.856 113.0 58.4 -68.3 -34.4 36.0 2.7 28.3 19 18 A K H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.927 104.9 49.5 -58.4 -44.2 39.3 3.6 30.0 20 19 A A H X S+ 0 0 55 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.883 111.9 48.5 -65.0 -36.9 41.3 2.0 27.2 21 20 A V H X S+ 0 0 15 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.923 111.0 50.8 -66.1 -46.2 39.2 3.9 24.6 22 21 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 108.9 51.0 -56.3 -44.3 39.8 7.2 26.5 23 22 A E H X S+ 0 0 91 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 110.9 48.8 -64.1 -40.2 43.5 6.6 26.6 24 23 A K H X S+ 0 0 84 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.899 110.3 50.0 -64.8 -43.8 43.6 6.0 22.9 25 24 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 6,-0.3 0.958 113.0 48.2 -56.8 -50.0 41.5 9.1 22.1 26 25 A A H X>S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 5,-0.7 0.910 109.6 51.7 -57.3 -46.1 43.9 11.1 24.2 27 26 A A H <5S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.937 115.2 42.5 -56.0 -47.7 47.0 9.6 22.6 28 27 A I H <5S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 124.0 34.9 -65.7 -42.0 45.6 10.5 19.1 29 28 A T H <5S- 0 0 14 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.599 101.3-123.6 -90.7 -14.3 44.4 14.0 20.0 30 29 A G T <5 + 0 0 63 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.614 58.7 155.5 72.3 19.7 47.1 15.0 22.5 31 30 A A < - 0 0 14 -5,-0.7 -23,-0.2 -6,-0.3 -1,-0.2 -0.259 46.7-112.1 -76.3 157.9 44.3 15.6 25.1 32 31 A D E -b 8 0A 88 -25,-2.4 -23,-2.7 -3,-0.1 2,-0.3 -0.478 33.6-132.0 -75.2 159.8 44.6 15.6 28.8 33 32 A L E -b 9 0A 79 -25,-0.2 2,-0.4 -2,-0.2 -23,-0.2 -0.911 19.9-174.0-118.6 144.2 42.8 12.7 30.7 34 33 A Y E -b 10 0A 34 -25,-2.5 -23,-2.3 -2,-0.3 2,-0.6 -0.941 14.2-149.1-139.3 119.4 40.6 12.8 33.7 35 34 A E E -b 11 0A 73 -2,-0.4 2,-1.0 -25,-0.2 -23,-0.2 -0.780 13.5-140.3 -85.5 120.5 39.2 9.7 35.4 36 35 A I - 0 0 0 -25,-3.3 -23,-0.4 -2,-0.6 35,-0.1 -0.767 30.4-166.1 -78.0 100.0 35.8 10.3 37.0 37 36 A K - 0 0 43 -2,-1.0 33,-3.2 33,-0.4 2,-0.1 -0.863 14.7-130.0 -99.0 124.4 36.5 8.2 40.1 38 37 A P B -F 69 0B 26 0, 0.0 31,-0.3 0, 0.0 30,-0.0 -0.406 11.9-132.6 -67.6 142.7 33.6 7.2 42.4 39 38 A E S S+ 0 0 127 29,-2.6 30,-0.1 1,-0.2 -2,-0.0 0.835 106.9 38.1 -59.3 -34.3 34.0 7.9 46.1 40 39 A V S S- 0 0 92 28,-0.5 -1,-0.2 30,-0.0 28,-0.0 -0.957 97.7-132.0-119.6 108.2 32.8 4.3 46.6 41 40 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 -27,-0.1 -0.176 21.8-110.5 -60.6 148.8 34.2 2.0 43.9 42 41 A Y - 0 0 26 4,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.725 33.0-154.0 -83.4 124.0 31.9 -0.4 42.1 43 42 A T > - 0 0 73 -2,-0.5 4,-1.3 1,-0.1 5,-0.1 -0.376 32.6-100.3 -84.4 170.2 32.4 -4.0 43.0 44 43 A E T >4 S+ 0 0 168 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.943 126.6 50.4 -52.0 -49.6 31.6 -7.1 40.8 45 44 A A G >4 S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.902 105.5 55.9 -58.9 -42.1 28.4 -7.5 42.9 46 45 A D G 34 S+ 0 0 33 1,-0.3 10,-2.5 8,-0.2 11,-0.4 0.813 108.1 49.7 -59.1 -30.0 27.5 -3.9 42.4 47 46 A L G << S+ 0 0 40 -4,-1.3 2,-1.2 -3,-0.8 -1,-0.3 0.274 74.6 124.3 -98.1 10.3 27.6 -4.4 38.6 48 47 A D X - 0 0 69 -3,-1.5 3,-1.8 -4,-0.2 6,-0.3 -0.597 38.2-173.4 -77.2 100.5 25.5 -7.5 38.4 49 48 A W T 3 S+ 0 0 174 -2,-1.2 -1,-0.2 1,-0.3 -4,-0.0 0.586 80.9 63.0 -75.1 -9.5 22.8 -6.5 36.0 50 49 A N T 3 S+ 0 0 136 1,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.474 88.8 79.2 -89.6 -3.6 20.9 -9.7 36.6 51 50 A D X - 0 0 66 -3,-1.8 3,-1.9 -6,-0.1 6,-0.3 -0.919 65.8-161.0-107.6 111.2 20.4 -8.8 40.3 52 51 A K T 3 S+ 0 0 82 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.1 0.645 92.4 52.1 -65.9 -14.9 17.6 -6.3 40.6 53 52 A K T 3 S+ 0 0 99 4,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.322 81.3 119.4-104.3 7.1 18.9 -5.3 44.0 54 53 A S S <> S- 0 0 5 -3,-1.9 4,-2.6 -6,-0.3 5,-0.2 -0.341 78.0-110.7 -67.2 155.3 22.5 -4.6 43.0 55 54 A R H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.917 120.1 49.0 -48.8 -50.6 23.8 -1.1 43.5 56 55 A S H > S+ 0 0 6 -10,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.918 111.8 49.4 -63.9 -37.0 23.9 -0.4 39.7 57 56 A S H > S+ 0 0 7 -11,-0.4 4,-1.3 -6,-0.3 -2,-0.2 0.938 114.7 44.0 -64.7 -43.7 20.3 -1.7 39.3 58 57 A V H < S+ 0 0 72 -4,-2.6 3,-0.3 2,-0.2 4,-0.2 0.926 115.8 46.8 -66.8 -46.7 19.0 0.4 42.1 59 58 A E H >< S+ 0 0 31 -4,-2.9 3,-1.5 -5,-0.2 6,-0.4 0.910 110.1 53.7 -60.1 -44.2 20.9 3.5 41.1 60 59 A X H 3< S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 104.8 51.7 -73.4 -24.3 19.9 3.2 37.5 61 60 A R T 3< S+ 0 0 160 -4,-1.3 2,-0.7 -3,-0.3 -1,-0.3 0.414 97.0 81.7 -87.3 2.0 16.1 3.0 38.1 62 61 A D X - 0 0 75 -3,-1.5 3,-1.9 -4,-0.2 -1,-0.1 -0.904 64.0-164.2-108.0 106.7 16.4 6.2 40.2 63 62 A A T 3 S+ 0 0 87 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.714 91.3 50.0 -60.6 -21.5 16.4 9.3 37.9 64 63 A L T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.383 77.9 126.0 -99.5 3.0 17.7 11.3 40.8 65 64 A S < - 0 0 12 -3,-1.9 33,-0.1 -6,-0.4 34,-0.1 -0.395 33.7-178.4 -64.0 136.7 20.6 9.0 41.9 66 65 A R - 0 0 89 32,-0.1 30,-0.1 -2,-0.1 -1,-0.1 -0.680 14.3-152.6-139.3 82.6 24.0 10.9 42.0 67 66 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 32,-0.1 -0.271 29.0-110.2 -54.8 135.9 26.9 8.7 42.9 68 67 A A - 0 0 44 31,-0.0 -29,-2.6 -30,-0.0 -28,-0.5 -0.428 26.8-143.4 -75.1 147.3 29.6 10.8 44.6 69 68 A I B -F 38 0B 21 -31,-0.3 2,-0.6 -30,-0.1 -33,-0.0 -0.850 10.4-129.2-112.6 141.8 32.9 11.5 42.9 70 69 A S S S+ 0 0 68 -33,-3.2 -33,-0.4 -2,-0.4 2,-0.1 -0.824 72.1 4.2 -89.3 118.1 36.3 11.7 44.5 71 70 A G - 0 0 51 -2,-0.6 2,-0.3 -35,-0.1 -2,-0.1 -0.148 67.2-115.4 97.5 167.9 38.2 14.9 43.6 72 71 A T - 0 0 117 -2,-0.1 2,-0.5 0, 0.0 -1,-0.0 -0.996 20.0-115.7-147.7 136.2 37.7 18.2 41.6 73 72 A L - 0 0 30 -2,-0.3 -2,-0.0 1,-0.1 -39,-0.0 -0.665 22.4-158.0 -69.3 124.5 39.1 19.8 38.5 74 73 A F S S+ 0 0 177 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.895 84.9 15.4 -71.5 -43.2 40.8 23.1 39.6 75 74 A H > + 0 0 80 1,-0.1 3,-2.0 2,-0.0 4,-0.3 -0.410 68.3 151.3-132.8 57.2 40.7 24.9 36.1 76 75 A P G > S+ 0 0 26 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.827 70.1 69.1 -61.0 -26.3 38.2 23.0 33.9 77 76 A E G 3 S+ 0 0 102 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.663 82.8 73.1 -68.6 -15.1 37.5 26.3 32.0 78 77 A K G < S+ 0 0 135 -3,-2.0 2,-0.5 2,-0.0 -1,-0.3 0.724 83.6 80.9 -70.5 -18.5 41.0 26.1 30.6 79 78 A Y < - 0 0 62 -3,-1.7 -72,-0.2 -4,-0.3 3,-0.1 -0.779 61.2-167.0 -89.7 129.8 39.8 23.3 28.3 80 79 A E S S+ 0 0 108 -74,-1.7 30,-0.6 -2,-0.5 2,-0.4 0.750 77.4 36.9 -85.4 -27.2 37.9 24.4 25.2 81 80 A V E -ac 7 110A 5 -75,-1.8 -73,-2.3 28,-0.1 2,-0.5 -0.998 66.3-167.1-130.0 130.6 36.6 20.9 24.3 82 81 A L E -ac 8 111A 14 28,-2.3 30,-2.7 -2,-0.4 2,-0.4 -0.978 4.0-162.8-117.0 119.4 35.5 18.2 26.8 83 82 A F E -ac 9 112A 2 -75,-2.8 -73,-3.2 -2,-0.5 2,-0.5 -0.872 10.6-162.3 -91.4 138.8 35.0 14.6 25.7 84 83 A V E -ac 10 113A 3 28,-2.4 30,-2.1 -2,-0.4 2,-0.3 -0.978 10.3-173.5-130.4 114.1 32.9 12.7 28.3 85 84 A G E +ac 11 114A 0 -75,-2.4 -73,-2.0 -2,-0.5 30,-0.2 -0.837 12.5 148.1-114.3 149.8 33.0 8.9 28.1 86 85 A F E - c 0 115A 0 28,-1.4 30,-1.4 -2,-0.3 2,-0.2 -0.990 46.2 -93.8-163.4 160.7 31.2 6.1 29.9 87 86 A P E - c 0 116A 18 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.600 49.7-106.4 -72.0 144.3 29.9 2.5 29.5 88 87 A V - 0 0 21 28,-2.4 2,-0.5 -2,-0.2 5,-0.2 -0.649 38.6-169.4 -66.3 123.4 26.2 2.3 28.5 89 88 A W B > -G 92 0C 32 3,-2.7 3,-1.8 -2,-0.4 28,-0.0 -0.979 69.8 -20.1-117.7 118.5 24.2 1.3 31.6 90 89 A W T 3 S- 0 0 120 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.901 125.4 -55.1 47.5 48.8 20.6 0.3 30.9 91 90 A Y T 3 S+ 0 0 133 1,-0.2 -1,-0.3 30,-0.0 2,-0.2 0.391 125.8 64.8 74.6 3.7 20.5 2.2 27.6 92 91 A I B < S-G 89 0C 53 -3,-1.8 -3,-2.7 33,-0.1 -1,-0.2 -0.720 94.7 -65.0-138.8-179.5 21.7 5.5 29.1 93 92 A A - 0 0 5 32,-0.2 -5,-0.1 -2,-0.2 5,-0.1 -0.565 56.5-103.6 -68.0 140.1 24.6 7.2 30.8 94 93 A P >> - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.328 34.8-116.9 -54.9 146.0 25.6 6.0 34.3 95 94 A T H 3> S+ 0 0 8 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.709 110.3 73.9 -72.9 -14.1 24.3 8.6 36.8 96 95 A I H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.790 90.9 59.9 -62.5 -25.9 27.8 9.4 38.0 97 96 A I H <> S+ 0 0 0 -3,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.909 103.2 50.4 -68.3 -38.4 28.1 11.2 34.6 98 97 A N H X S+ 0 0 24 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.920 108.3 52.0 -59.0 -43.7 25.1 13.3 35.9 99 98 A T H X S+ 0 0 19 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.948 112.0 47.3 -55.9 -45.4 27.1 14.0 39.1 100 99 A F H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.945 111.4 47.8 -62.2 -51.2 30.0 15.1 37.0 101 100 A L H >< S+ 0 0 7 -4,-2.9 3,-0.5 1,-0.3 5,-0.4 0.812 114.1 49.0 -63.9 -27.4 28.1 17.4 34.6 102 101 A E H 3< S+ 0 0 99 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.499 95.9 72.5 -90.8 -2.8 26.4 19.0 37.6 103 102 A S T << S+ 0 0 66 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.556 105.4 31.0 -85.4 -13.9 29.7 19.5 39.6 104 103 A Y S < S- 0 0 39 -3,-0.5 2,-1.1 -4,-0.4 3,-0.0 -0.916 90.6-102.8-136.2 165.7 30.7 22.4 37.3 105 104 A D + 0 0 126 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 -0.788 42.8 168.0 -96.2 96.5 29.0 25.1 35.2 106 105 A F > + 0 0 16 -2,-1.1 3,-2.3 -5,-0.4 31,-0.4 0.275 23.6 136.9 -94.4 11.1 29.2 23.6 31.8 107 106 A A T 3 S+ 0 0 36 1,-0.3 29,-0.2 29,-0.1 3,-0.1 -0.362 80.0 10.2 -53.4 126.9 26.7 26.1 30.2 108 107 A G T 3 S+ 0 0 52 27,-2.8 2,-0.4 1,-0.2 -1,-0.3 0.506 101.1 127.8 82.8 4.4 28.1 27.2 26.9 109 108 A K < - 0 0 84 -3,-2.3 28,-1.8 26,-0.2 2,-0.4 -0.805 64.6-115.6-105.3 139.3 30.9 24.6 26.9 110 109 A I E +cd 81 137A 46 -30,-0.6 -28,-2.3 -2,-0.4 2,-0.4 -0.530 39.3 178.5 -74.8 117.1 31.6 22.2 24.0 111 110 A V E -cd 82 138A 0 26,-2.2 28,-2.2 -2,-0.4 -28,-0.2 -0.991 13.0-169.2-126.3 133.0 31.0 18.6 25.2 112 111 A V E -c 83 0A 0 -30,-2.7 -28,-2.4 -2,-0.4 2,-0.2 -0.967 14.6-147.4-123.6 111.4 31.3 15.5 23.1 113 112 A P E +c 84 0A 2 0, 0.0 29,-1.5 0, 0.0 2,-0.3 -0.492 17.9 176.3 -79.2 147.3 30.0 12.2 24.4 114 113 A F E +ce 85 142A 0 -30,-2.1 -28,-1.4 27,-0.2 2,-0.3 -0.970 4.2 178.8-143.1 159.8 31.5 8.8 23.8 115 114 A A E -ce 86 143A 0 27,-1.7 29,-3.1 -2,-0.3 2,-0.3 -0.983 22.9-143.7-151.1 159.7 30.7 5.3 25.0 116 115 A T E +c 87 0A 8 -30,-1.4 -28,-2.4 -2,-0.3 2,-0.3 -0.894 30.2 170.9-122.1 162.0 31.4 1.6 25.0 117 116 A S - 0 0 27 -2,-0.3 -28,-0.1 -30,-0.2 5,-0.0 -0.966 48.1-110.2-157.7 168.0 28.7 -1.0 25.2 118 117 A G S S- 0 0 98 -2,-0.3 -2,-0.0 -30,-0.2 0, 0.0 0.050 100.9 -48.8 -92.4 21.6 27.7 -4.7 25.0 119 118 A G S S+ 0 0 63 1,-0.4 2,-0.0 0, 0.0 -2,-0.0 0.027 105.7 113.5 136.8 -31.7 25.8 -3.9 21.8 120 119 A S - 0 0 43 1,-0.1 -1,-0.4 -32,-0.1 -32,-0.1 -0.347 61.7-115.5 -69.6 153.7 23.5 -0.9 22.5 121 120 A G - 0 0 44 1,-0.1 4,-0.3 22,-0.0 3,-0.1 -0.269 9.8-125.7 -81.6 171.8 24.0 2.4 20.7 122 121 A I S > S+ 0 0 13 1,-0.1 4,-2.5 2,-0.1 3,-0.2 0.590 89.7 89.2 -88.2 -16.1 24.9 5.8 22.1 123 122 A G H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 87.5 47.3 -53.1 -44.9 21.9 7.6 20.5 124 123 A N H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 111.5 52.6 -65.2 -37.1 19.6 7.0 23.4 125 124 A C H > S+ 0 0 1 -4,-0.3 4,-1.9 -3,-0.2 -32,-0.2 0.925 110.8 48.0 -60.6 -48.0 22.3 8.2 25.8 126 125 A E H X S+ 0 0 26 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.918 108.0 52.2 -60.8 -46.9 22.8 11.4 23.7 127 126 A K H X S+ 0 0 139 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.892 110.6 49.2 -62.4 -37.6 19.1 12.3 23.5 128 127 A N H X S+ 0 0 64 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.919 112.3 47.4 -67.0 -38.8 18.7 12.0 27.2 129 128 A L H X S+ 0 0 6 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.873 107.7 56.6 -65.3 -40.1 21.8 14.2 27.8 130 129 A H H < S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.1 40.4 -61.9 -39.4 20.6 16.8 25.3 131 130 A K H < S+ 0 0 151 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.797 114.2 52.9 -74.0 -34.5 17.3 17.2 27.2 132 131 A A H < S+ 0 0 54 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.863 124.7 23.0 -73.2 -33.3 18.9 17.0 30.7 133 132 A Y >< + 0 0 24 -4,-2.2 3,-1.4 -5,-0.1 -1,-0.3 -0.685 67.8 165.5-134.9 70.9 21.5 19.8 30.0 134 133 A P T 3 S+ 0 0 101 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.721 72.8 62.4 -65.3 -21.5 20.1 21.9 27.2 135 134 A D T 3 S+ 0 0 101 2,-0.1 -27,-2.8 -28,-0.0 2,-0.2 0.480 81.1 98.1 -86.2 -5.6 22.6 24.7 27.8 136 135 A I S < S- 0 0 12 -3,-1.4 2,-1.6 -29,-0.2 -26,-0.2 -0.556 83.0-121.5 -76.4 143.5 25.7 22.6 27.0 137 136 A V E -d 110 0A 59 -28,-1.8 -26,-2.2 -31,-0.4 2,-0.3 -0.682 40.5-165.6 -86.3 81.8 27.1 22.9 23.5 138 137 A W E -d 111 0A 39 -2,-1.6 2,-0.3 -28,-0.2 -26,-0.2 -0.593 7.9-165.8 -75.8 134.0 26.6 19.3 22.7 139 138 A K - 0 0 44 -28,-2.2 21,-0.1 -2,-0.3 22,-0.0 -0.834 41.1 -77.4-114.1 154.5 28.4 17.9 19.6 140 139 A D - 0 0 114 -2,-0.3 2,-0.1 -28,-0.1 20,-0.1 -0.257 54.4-152.6 -58.1 130.9 27.6 14.6 18.0 141 140 A G - 0 0 14 -29,-0.1 2,-0.4 -19,-0.1 -27,-0.2 -0.232 0.9-131.7 -94.4-177.9 29.1 11.7 19.9 142 141 A K E -e 114 0A 58 -29,-1.5 -27,-1.7 -2,-0.1 2,-0.5 -0.995 12.1-133.7-143.7 137.0 30.3 8.2 19.1 143 142 A L E -e 115 0A 60 -2,-0.4 -27,-0.2 -29,-0.2 3,-0.2 -0.758 27.9-165.6 -76.0 129.1 30.0 4.6 20.2 144 143 A L + 0 0 7 -29,-3.1 4,-0.1 -2,-0.5 -1,-0.1 -0.418 43.5 125.4-125.0 57.2 33.6 3.4 20.2 145 144 A N + 0 0 77 2,-0.1 -1,-0.1 -29,-0.1 -29,-0.1 0.535 68.5 56.2 -87.3 -13.4 33.5 -0.4 20.5 146 145 A G S S- 0 0 60 -3,-0.2 2,-0.5 1,-0.1 -2,-0.0 -0.015 106.2 -40.5-101.7-150.6 35.5 -0.9 17.3 147 146 A Q - 0 0 147 -2,-0.1 2,-0.7 1,-0.0 -1,-0.1 -0.647 51.1-153.0 -83.4 121.7 38.9 0.0 15.9 148 147 A I + 0 0 7 -2,-0.5 2,-0.2 -4,-0.1 -4,-0.0 -0.861 20.9 176.3-101.1 114.8 39.8 3.6 16.7 149 148 A T > - 0 0 60 -2,-0.7 4,-1.9 1,-0.1 5,-0.2 -0.657 46.0-110.8-110.9 163.8 42.2 5.1 14.1 150 149 A R H > S+ 0 0 141 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.855 120.9 55.4 -62.3 -33.0 43.7 8.6 13.6 151 150 A D H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 104.7 52.0 -65.5 -41.7 41.4 8.9 10.5 152 151 A L H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 113.7 43.9 -58.6 -45.4 38.3 8.1 12.5 153 152 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.936 112.3 50.3 -70.7 -44.4 39.1 10.8 15.0 154 153 A T H X S+ 0 0 49 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.920 112.1 48.4 -62.3 -41.0 40.1 13.5 12.5 155 154 A E H X S+ 0 0 115 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.955 108.4 55.5 -59.3 -46.5 36.9 12.9 10.5 156 155 A W H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.929 106.9 48.5 -52.6 -47.7 35.0 13.1 13.8 157 156 A F H <>S+ 0 0 4 -4,-2.5 5,-2.8 1,-0.2 -1,-0.3 0.884 113.6 49.1 -59.9 -39.5 36.5 16.6 14.5 158 157 A E H ><5S+ 0 0 147 -4,-2.0 3,-1.5 -5,-0.2 -2,-0.2 0.948 108.9 50.9 -62.6 -51.0 35.5 17.6 10.9 159 158 A K H 3<5S+ 0 0 69 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.838 116.5 41.4 -59.2 -32.9 31.9 16.3 11.2 160 159 A I T 3<5S- 0 0 6 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.230 113.3-117.8-103.3 13.4 31.4 18.3 14.4 161 160 A R T < 5 0 0 203 -3,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.858 360.0 360.0 57.4 43.1 33.3 21.4 13.2 162 161 A L < 0 0 45 -5,-2.8 -160,-0.2 -6,-0.1 -1,-0.2 -0.745 360.0 360.0-111.3 360.0 36.1 21.4 15.7