==== 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 OXIDOREDUCTASE 17-JUL-06 2HPV . COMPND 2 MOLECULE: FMN-DEPENDENT NADH-AZOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR Z.J.LIU,L.CHEN,H.CHEN,J.ROSE,B.C.WANG,SOUTHEAST COLLABORATOR . 828 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.7 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 . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 76 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 0 0 0 0 4 3 5 0 0 0 4 0 5 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 4 4 4 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 . 3 2 0 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 . 0 4 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 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 87 0, 0.0 36,-2.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -29.3 25.7 48.9 11.1 2 3 A K E -a 37 0A 24 34,-0.2 93,-2.2 91,-0.1 94,-2.2 -0.905 360.0-171.8-109.6 119.6 26.7 49.9 14.7 3 4 A L E -ab 38 96A 0 34,-3.0 36,-2.4 -2,-0.6 2,-0.5 -0.898 8.8-155.5-105.1 119.3 28.9 52.9 15.2 4 5 A L E -ab 39 97A 0 92,-3.1 94,-2.9 -2,-0.6 2,-0.6 -0.856 5.4-156.5 -93.7 128.3 30.3 53.6 18.6 5 6 A V E -ab 40 98A 1 34,-3.3 36,-3.3 -2,-0.5 2,-0.8 -0.914 4.1-166.2-103.4 116.4 31.3 57.2 19.2 6 7 A V E -ab 41 99A 0 92,-3.6 94,-2.2 -2,-0.6 2,-1.0 -0.896 6.1-164.3-102.6 103.2 33.9 57.7 22.0 7 8 A K E +ab 42 100A 28 34,-2.9 36,-1.3 -2,-0.8 37,-0.5 -0.783 12.8 174.9 -91.7 102.9 33.8 61.4 22.9 8 9 A A + 0 0 0 92,-2.8 104,-0.2 -2,-1.0 -1,-0.1 -0.324 47.3 92.0-109.7 54.0 37.0 62.0 24.8 9 10 A H - 0 0 13 -2,-0.2 35,-0.3 92,-0.2 7,-0.0 -0.992 65.5-145.0-140.5 132.2 36.8 65.8 25.2 10 11 A P S S+ 0 0 17 0, 0.0 2,-0.1 0, 0.0 253,-0.1 0.680 78.6 62.3 -69.9 -16.9 35.2 67.5 28.2 11 12 A L S S- 0 0 27 1,-0.1 2,-0.1 4,-0.1 -2,-0.1 -0.383 80.6-105.9-105.4-175.2 33.8 70.4 26.1 12 13 A T >> - 0 0 59 -2,-0.1 3,-1.9 1,-0.0 4,-1.0 -0.448 41.6 -87.5-106.4 175.6 31.3 70.9 23.2 13 14 A K T 34 S+ 0 0 100 1,-0.3 7,-0.3 6,-0.3 3,-0.1 0.743 122.6 61.0 -54.4 -26.6 31.6 71.7 19.5 14 15 A E T 34 S+ 0 0 129 1,-0.2 -1,-0.3 5,-0.1 3,-0.1 0.695 115.7 30.9 -76.1 -19.8 31.6 75.4 20.2 15 16 A E T <4 S+ 0 0 110 -3,-1.9 2,-0.4 1,-0.2 -1,-0.2 0.406 115.3 62.6-114.7 -4.1 34.8 75.2 22.3 16 17 A S X - 0 0 4 -4,-1.0 4,-2.1 1,-0.1 -1,-0.2 -0.981 51.3-161.7-140.0 130.2 36.6 72.3 20.7 17 18 A R H > S+ 0 0 73 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.844 99.8 53.2 -70.8 -40.7 38.0 71.6 17.3 18 19 A S H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 113.8 43.4 -53.7 -49.9 38.1 67.8 18.0 19 20 A V H > S+ 0 0 3 2,-0.2 4,-2.9 -7,-0.2 -6,-0.3 0.895 112.0 52.9 -70.0 -39.7 34.3 67.9 18.9 20 21 A R H X S+ 0 0 84 -4,-2.1 4,-2.0 -7,-0.3 5,-0.2 0.910 111.7 45.8 -59.2 -45.1 33.4 70.2 15.9 21 22 A A H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.910 112.3 52.3 -69.3 -37.9 35.1 67.8 13.5 22 23 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.925 108.8 50.3 -54.5 -51.5 33.3 64.8 15.2 23 24 A E H X S+ 0 0 81 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.853 112.2 45.7 -59.9 -42.1 29.9 66.6 14.9 24 25 A T H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.881 112.8 51.4 -73.1 -35.8 30.4 67.3 11.1 25 26 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.935 111.6 47.5 -54.9 -48.5 31.7 63.7 10.6 26 27 A L H X S+ 0 0 5 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.890 108.8 52.7 -67.8 -38.2 28.6 62.4 12.4 27 28 A A H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.929 115.5 42.5 -59.1 -46.5 26.1 64.6 10.4 28 29 A S H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.923 114.0 50.8 -66.3 -43.9 27.6 63.3 7.2 29 30 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 111.0 48.1 -59.5 -47.6 27.8 59.7 8.5 30 31 A R H < S+ 0 0 127 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.5 48.5 -61.1 -46.3 24.1 59.7 9.6 31 32 A E H < S+ 0 0 146 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.833 117.1 42.3 -60.9 -36.4 22.9 61.1 6.3 32 33 A T H < S+ 0 0 54 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.821 127.6 30.4 -81.3 -32.3 25.0 58.5 4.4 33 34 A N >< + 0 0 38 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 -0.573 67.6 164.3-128.2 64.9 24.1 55.5 6.7 34 35 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.775 75.4 54.2 -58.8 -27.7 20.5 56.3 7.9 35 36 A S T 3 S+ 0 0 107 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.663 84.6 109.3 -83.2 -14.0 20.0 52.7 9.1 36 37 A D S < S- 0 0 24 -3,-1.5 2,-0.4 -7,-0.2 -34,-0.2 -0.325 70.9-123.5 -64.3 135.9 23.1 52.5 11.3 37 38 A E E -a 2 0A 101 -36,-2.5 -34,-3.0 -2,-0.1 2,-0.6 -0.622 25.5-159.5 -73.3 129.6 22.8 52.5 15.1 38 39 A I E -a 3 0A 29 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.969 8.6-174.2-119.0 116.3 24.8 55.4 16.6 39 40 A E E -a 4 0A 59 -36,-2.4 -34,-3.3 -2,-0.6 2,-0.5 -0.958 11.0-149.8-113.5 126.7 25.8 55.0 20.2 40 41 A I E -a 5 0A 90 -2,-0.5 2,-0.5 -36,-0.2 -34,-0.2 -0.832 11.7-174.5-100.2 128.0 27.5 57.9 22.1 41 42 A L E -a 6 0A 4 -36,-3.3 -34,-2.9 -2,-0.5 2,-1.0 -0.932 4.1-170.6-118.7 105.3 29.9 57.3 24.9 42 43 A D E > -a 7 0A 42 -2,-0.5 3,-1.0 -36,-0.2 6,-0.2 -0.822 3.2-168.0 -96.3 99.6 30.9 60.6 26.5 43 44 A V T 3 S+ 0 0 0 -36,-1.3 7,-0.2 -2,-1.0 -1,-0.1 0.562 82.7 52.6 -72.3 -9.9 33.7 59.6 28.8 44 45 A Y T 3 S+ 0 0 21 -37,-0.5 -1,-0.2 -35,-0.3 219,-0.1 0.630 83.1 107.8 -92.6 -17.3 33.8 62.9 30.6 45 46 A A X - 0 0 15 -3,-1.0 3,-1.1 1,-0.1 4,-0.5 -0.370 68.6-139.0 -65.9 132.6 30.1 63.0 31.4 46 47 A P G > S+ 0 0 110 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.865 105.0 61.3 -53.9 -36.3 29.2 62.5 35.1 47 48 A E G 3 S+ 0 0 166 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.743 91.4 67.3 -61.4 -27.3 26.2 60.3 33.9 48 49 A T G < S- 0 0 19 -3,-1.1 -1,-0.2 -6,-0.2 -5,-0.1 0.769 88.4-149.9 -69.5 -24.4 28.7 57.9 32.2 49 50 A N < - 0 0 99 -3,-1.2 -2,-0.1 -4,-0.5 -6,-0.1 0.960 19.5-151.8 49.2 56.7 30.1 56.7 35.6 50 51 A X - 0 0 24 -5,-0.4 -1,-0.2 -7,-0.2 2,-0.1 -0.371 5.3-132.3 -58.9 123.0 33.5 56.1 34.0 51 52 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 67,-0.1 -0.466 17.8-160.3 -74.1 156.0 35.3 53.3 35.7 52 53 A E - 0 0 48 -2,-0.1 2,-0.5 65,-0.1 5,-0.3 -0.993 29.5-109.7-132.6 132.1 39.0 53.9 36.6 53 54 A I + 0 0 13 -2,-0.4 2,-0.2 4,-0.1 265,-0.1 -0.587 65.1 143.3 -65.0 113.5 41.4 51.0 37.4 54 55 A D > - 0 0 24 -2,-0.5 4,-2.9 163,-0.1 5,-0.3 -0.710 65.5 -72.4-141.4-173.2 41.8 51.5 41.2 55 56 A E H > S+ 0 0 88 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 127.2 49.0 -58.6 -46.6 42.3 49.6 44.4 56 57 A E H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 115.6 44.2 -62.9 -44.1 38.7 48.4 44.6 57 58 A L H > S+ 0 0 0 -5,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.932 112.8 49.0 -63.5 -51.1 38.8 47.2 41.0 58 59 A L H X S+ 0 0 30 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.929 116.7 44.1 -54.9 -44.6 42.2 45.5 41.1 59 60 A S H X S+ 0 0 35 -4,-2.4 4,-3.3 -5,-0.3 5,-0.2 0.897 108.9 55.9 -69.1 -42.2 41.1 43.7 44.3 60 61 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.934 109.5 48.1 -50.1 -47.2 37.6 42.7 42.9 61 62 A W H X S+ 0 0 60 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.833 113.2 47.0 -66.1 -37.9 39.5 41.1 40.0 62 63 A G H X S+ 0 0 23 -4,-1.6 4,-2.9 2,-0.2 3,-0.3 0.973 110.3 52.5 -59.9 -60.5 41.9 39.3 42.5 63 64 A A H X>S+ 0 0 35 -4,-3.3 5,-3.3 1,-0.2 4,-2.1 0.789 115.3 43.0 -43.0 -36.1 38.9 38.2 44.7 64 65 A L H <5S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.790 110.1 53.9 -83.3 -35.6 37.3 36.7 41.5 65 66 A R H <5S+ 0 0 192 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.2 0.883 113.9 45.8 -56.1 -42.4 40.5 35.2 40.2 66 67 A A H <5S- 0 0 90 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.986 127.8 -97.3 -69.2 -61.7 40.7 33.5 43.5 67 68 A G T <5 + 0 0 63 -4,-2.1 -3,-0.2 -5,-0.2 2,-0.2 0.517 64.0 149.2 147.3 35.2 37.0 32.4 43.6 68 69 A A < - 0 0 35 -5,-3.3 2,-0.3 -8,-0.1 -1,-0.0 -0.546 53.2-107.3 -77.2 151.2 34.7 34.7 45.5 69 70 A A > - 0 0 52 -2,-0.2 3,-3.4 1,-0.1 4,-0.4 -0.642 27.8-114.0 -75.6 138.9 31.2 34.9 44.2 70 71 A F G > S+ 0 0 72 -2,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.726 119.4 61.8 -43.4 -20.9 30.4 38.1 42.5 71 72 A E G 3 S+ 0 0 144 1,-0.2 -1,-0.3 7,-0.0 7,-0.1 0.583 88.1 66.7 -87.9 -13.7 28.0 38.6 45.5 72 73 A T G < S+ 0 0 111 -3,-3.4 2,-0.2 2,-0.1 -1,-0.2 0.409 86.5 92.7 -79.9 -1.5 30.8 38.5 48.1 73 74 A L S < S- 0 0 10 -3,-0.6 -13,-0.0 -4,-0.4 5,-0.0 -0.647 90.3 -97.3 -91.2 151.0 32.1 41.8 46.7 74 75 A S > - 0 0 52 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.248 36.0-107.0 -59.2 154.5 30.9 45.2 48.1 75 76 A E H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.842 123.3 52.0 -46.2 -38.4 28.0 46.9 46.3 76 77 A N H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.872 109.1 47.2 -76.4 -37.3 30.7 49.4 45.0 77 78 A Q H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.871 111.5 50.9 -61.2 -44.0 33.0 46.7 43.6 78 79 A Q H X S+ 0 0 49 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.876 110.5 50.7 -66.4 -36.8 30.2 44.8 41.9 79 80 A Q H X S+ 0 0 93 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.2 0.927 113.3 44.0 -62.7 -45.6 29.1 48.1 40.3 80 81 A K H X S+ 0 0 52 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.939 114.4 49.0 -69.8 -50.3 32.7 48.8 39.1 81 82 A V H X S+ 0 0 3 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 115.8 44.1 -49.5 -48.2 33.3 45.3 37.8 82 83 A A H X S+ 0 0 36 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.895 114.3 48.7 -74.1 -39.0 30.0 45.3 36.0 83 84 A R H X S+ 0 0 37 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.931 111.0 50.5 -63.9 -46.0 30.5 48.9 34.6 84 85 A F H X S+ 0 0 11 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.937 112.4 47.9 -52.7 -50.7 34.0 48.0 33.4 85 86 A N H X S+ 0 0 56 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.838 106.0 57.4 -61.0 -37.0 32.5 44.9 31.7 86 87 A E H X S+ 0 0 104 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.911 106.9 50.3 -59.0 -43.1 29.7 46.9 30.1 87 88 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.911 110.0 48.2 -65.9 -42.4 32.3 49.1 28.4 88 89 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.939 113.7 47.1 -58.7 -46.5 34.2 46.1 27.1 89 90 A D H X S+ 0 0 77 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.881 107.5 57.6 -67.5 -37.3 31.0 44.5 25.7 90 91 A Q H X S+ 0 0 30 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.918 108.2 46.3 -53.8 -50.8 29.9 47.9 24.1 91 92 A F H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.924 110.8 52.7 -55.3 -47.5 33.2 48.0 22.2 92 93 A L H 3< S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.830 106.7 54.0 -62.5 -30.7 32.6 44.3 21.1 93 94 A S H 3< S+ 0 0 54 -4,-2.0 2,-0.3 -5,-0.1 -1,-0.2 0.692 91.8 95.4 -70.7 -23.7 29.1 45.2 19.9 94 95 A A << - 0 0 1 -3,-1.0 -91,-0.2 -4,-0.9 3,-0.1 -0.515 51.7-169.5 -81.7 132.9 30.4 48.0 17.6 95 96 A D S S+ 0 0 78 -93,-2.2 46,-1.4 -2,-0.3 2,-0.3 0.824 83.7 19.0 -81.9 -34.8 31.2 47.5 13.9 96 97 A K E -bc 3 141A 33 -94,-2.2 -92,-3.1 44,-0.2 2,-0.4 -0.946 69.4-158.7-134.5 151.6 32.9 50.9 13.7 97 98 A V E -bc 4 142A 3 44,-2.0 46,-2.2 -2,-0.3 2,-0.5 -0.998 2.0-164.1-134.2 135.0 34.4 53.2 16.4 98 99 A V E -bc 5 143A 0 -94,-2.9 -92,-3.6 -2,-0.4 2,-0.4 -0.994 9.2-166.7-118.2 125.8 35.1 56.9 16.2 99 100 A I E -bc 6 144A 0 44,-2.6 46,-3.2 -2,-0.5 2,-0.5 -0.955 4.2-174.4-111.0 126.7 37.4 58.4 18.8 100 101 A A E +bc 7 145A 0 -94,-2.2 -92,-2.8 -2,-0.4 46,-0.2 -0.988 20.5 136.4-126.6 125.5 37.6 62.2 19.3 101 102 A N E - c 0 146A 0 44,-1.7 46,-1.2 -2,-0.5 2,-0.2 -0.981 45.5-113.9-154.9 158.8 40.1 63.8 21.7 102 103 A P E - c 0 147A 10 0, 0.0 2,-0.7 0, 0.0 46,-0.2 -0.565 37.4-108.4 -86.7 156.9 42.5 66.7 22.0 103 104 A X + 0 0 23 44,-2.7 2,-0.6 -2,-0.2 46,-0.2 -0.806 40.8 179.6 -84.8 117.1 46.3 66.2 22.3 104 105 A W B > -E 107 0B 42 3,-1.3 3,-0.7 -2,-0.7 221,-0.1 -0.938 67.2 -20.9-122.8 106.1 47.2 67.1 25.8 105 106 A N T 3 S- 0 0 35 -2,-0.6 -1,-0.1 1,-0.2 268,-0.1 0.922 116.2 -63.2 61.9 45.6 50.9 66.7 26.8 106 107 A L T 3 S+ 0 0 43 1,-0.1 2,-0.3 266,-0.0 -1,-0.2 0.635 119.6 73.9 62.3 21.4 51.8 64.3 24.0 107 108 A N B < S-E 104 0B 1 -3,-0.7 -3,-1.3 50,-0.1 51,-0.2 -0.920 92.1 -76.9-149.3 168.3 49.5 61.5 25.2 108 109 A V - 0 0 1 -2,-0.3 -5,-0.1 -5,-0.1 5,-0.1 -0.448 59.5 -93.5 -68.5 148.4 45.7 60.7 25.3 109 110 A P >> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.205 41.8-102.5 -56.8 156.1 43.6 62.5 27.9 110 111 A T H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 120.4 48.3 -51.5 -50.2 43.1 60.7 31.2 111 112 A R H 3> S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.755 108.5 55.6 -68.0 -23.3 39.5 59.5 30.5 112 113 A L H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.911 107.3 48.5 -72.9 -42.4 40.5 58.2 27.0 113 114 A K H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.944 109.1 55.4 -58.1 -41.5 43.3 56.0 28.7 114 115 A A H X S+ 0 0 6 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.886 109.1 46.0 -58.4 -42.1 40.5 54.9 31.1 115 116 A W H >X S+ 0 0 1 -4,-1.7 4,-0.8 1,-0.2 3,-0.6 0.913 109.1 54.5 -65.2 -43.0 38.4 53.8 28.0 116 117 A V H >X S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 4,-0.6 0.886 100.8 61.1 -56.7 -39.0 41.4 52.1 26.4 117 118 A D H >< S+ 0 0 3 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.871 102.6 52.8 -55.8 -34.4 41.8 50.1 29.7 118 119 A T H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.675 107.3 50.8 -75.6 -17.6 38.2 48.6 29.1 119 120 A I H << S+ 0 0 1 -3,-1.1 2,-0.7 -4,-0.8 -1,-0.2 0.455 92.9 73.0-104.5 2.6 39.0 47.4 25.6 120 121 A N << + 0 0 20 -3,-0.7 2,-0.4 -4,-0.6 -1,-0.2 -0.790 65.7 148.5-113.8 80.5 42.2 45.5 26.3 121 122 A V >>> - 0 0 30 -2,-0.7 4,-2.6 -3,-0.1 3,-2.4 -0.968 47.7-123.9-128.9 120.7 40.8 42.4 28.1 122 123 A A B 345S+f 126 0C 47 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.367 101.2 16.7 -66.0 137.0 42.3 38.9 28.0 123 124 A G T 345S+ 0 0 57 3,-2.6 -1,-0.3 1,-0.1 4,-0.2 0.474 128.8 56.8 74.6 2.0 39.6 36.4 26.8 124 125 A K T <45S+ 0 0 58 -3,-2.4 -2,-0.2 2,-0.7 3,-0.1 0.647 125.2 2.2-124.6 -50.4 37.5 39.2 25.5 125 126 A T T <5S+ 0 0 0 -4,-2.6 11,-2.9 1,-0.3 12,-0.7 0.557 135.8 15.8-116.3 -16.3 39.4 41.4 22.9 126 127 A F E < -fG 122 135C 13 -5,-1.3 -3,-2.6 9,-0.3 -2,-0.7 -0.959 67.7-153.3-149.3 161.6 42.7 39.4 22.8 127 128 A Q E - G 0 134C 87 7,-2.9 7,-3.0 -2,-0.3 2,-0.4 -0.990 20.6-115.6-140.1 150.3 43.8 36.0 23.9 128 129 A Y E + G 0 133C 167 -2,-0.3 2,-0.3 5,-0.2 -2,-0.0 -0.691 40.0 171.7 -81.7 129.6 47.0 34.2 25.0 129 130 A T E > - G 0 132C 57 3,-1.1 3,-1.7 -2,-0.4 -2,-0.0 -0.845 50.9 -97.6-126.9 171.9 48.2 31.4 22.6 130 131 A A T 3 S+ 0 0 116 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.729 126.8 49.1 -60.7 -20.8 51.3 29.3 22.4 131 132 A E T 3 S- 0 0 168 1,-0.4 -1,-0.3 0, 0.0 -3,-0.0 0.325 126.6 -86.9 -99.3 4.0 52.6 31.8 19.7 132 133 A G E < S-G 129 0C 27 -3,-1.7 -3,-1.1 2,-0.0 -1,-0.4 -0.642 72.1 -25.3 114.8-179.3 51.8 34.9 21.8 133 134 A P E -G 128 0C 62 0, 0.0 -5,-0.2 0, 0.0 -11,-0.0 -0.456 61.0-168.4 -70.5 146.7 48.8 37.2 22.3 134 135 A K E -G 127 0C 89 -7,-3.0 -7,-2.9 -2,-0.1 34,-0.1 -0.970 23.4-103.1-136.7 143.6 46.3 37.2 19.4 135 136 A P E -G 126 0C 59 0, 0.0 -9,-0.3 0, 0.0 34,-0.1 -0.259 15.6-160.5 -67.4 154.3 43.3 39.4 18.7 136 137 A L S S+ 0 0 70 -11,-2.9 2,-0.3 33,-0.4 -10,-0.2 0.457 70.5 68.6-112.8 -1.5 39.8 38.4 19.3 137 138 A T + 0 0 15 32,-1.4 2,-0.3 -12,-0.7 -45,-0.0 -0.813 55.3 176.1-109.6 158.3 38.1 40.9 17.1 138 139 A S + 0 0 107 -2,-0.3 33,-0.1 33,-0.1 3,-0.1 -0.968 58.3 29.2-151.9 157.8 38.1 41.2 13.3 139 140 A G S S+ 0 0 60 31,-0.4 2,-0.1 -2,-0.3 32,-0.1 0.412 78.0 134.6 73.1 2.8 36.4 43.3 10.7 140 141 A K - 0 0 22 30,-0.3 33,-0.7 -44,-0.1 2,-0.3 -0.496 40.2-152.9 -77.6 153.5 36.1 46.4 12.9 141 142 A K E -cd 96 173A 41 -46,-1.4 -44,-2.0 -2,-0.1 2,-0.4 -0.959 8.4-163.7-122.8 146.8 37.0 49.9 11.5 142 143 A A E -cd 97 174A 0 31,-2.2 33,-3.1 -2,-0.3 2,-0.4 -0.979 10.2-163.5-132.3 147.0 38.2 52.9 13.5 143 144 A L E -cd 98 175A 0 -46,-2.2 -44,-2.6 -2,-0.4 2,-0.6 -0.996 9.9-156.4-126.3 121.9 38.5 56.6 12.9 144 145 A H E -cd 99 176A 6 31,-3.6 33,-3.1 -2,-0.4 2,-0.6 -0.903 8.7-173.4-101.0 113.6 40.7 58.7 15.1 145 146 A I E +cd 100 177A 0 -46,-3.2 -44,-1.7 -2,-0.6 2,-0.4 -0.939 18.2 162.2-103.1 116.5 39.8 62.4 15.2 146 147 A Q E -cd 101 178A 0 31,-2.6 33,-2.1 -2,-0.6 2,-0.5 -0.996 30.9-145.0-142.7 138.7 42.3 64.4 17.1 147 148 A S E -cd 102 179A 12 -46,-1.2 -44,-2.7 -2,-0.4 2,-0.3 -0.887 20.4-173.1-102.9 129.2 43.3 68.1 17.4 148 149 A N E - d 0 180A 3 31,-1.9 33,-1.2 -2,-0.5 34,-0.4 -0.907 28.4-137.5-118.2 143.9 47.0 69.1 18.0 149 150 A G S S+ 0 0 23 -2,-0.3 35,-1.0 -46,-0.2 34,-0.6 0.958 91.8 29.0 -59.3 -50.4 48.6 72.5 18.7 150 151 A G S S- 0 0 5 33,-0.1 2,-0.7 30,-0.1 31,-0.5 -0.301 98.9 -87.1-104.5-178.4 51.5 71.8 16.3 151 152 A F + 0 0 82 29,-0.2 2,-0.3 30,-0.1 -2,-0.0 -0.853 44.2 177.6 -96.4 111.4 52.0 69.7 13.2 152 153 A Y - 0 0 75 -2,-0.7 2,-0.8 4,-0.0 -4,-0.1 -0.776 35.2-126.2-103.9 155.0 52.8 66.1 13.9 153 154 A E - 0 0 153 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.285 65.8 -77.9 -99.3 56.8 53.2 63.8 11.0 154 155 A G S S+ 0 0 21 -2,-0.8 -1,-0.1 1,-0.1 -3,-0.0 0.519 119.3 110.3 62.3 6.1 50.7 61.3 12.5 155 156 A K + 0 0 171 4,-0.1 -1,-0.1 5,-0.0 2,-0.0 0.372 38.8 117.9 -94.4 -0.3 53.9 60.6 14.5 156 157 A D S > S- 0 0 4 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.374 73.5-117.6 -68.3 154.0 52.7 62.0 17.8 157 158 A F H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.822 107.6 57.1 -55.5 -43.8 52.5 59.6 20.8 158 159 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 111.4 39.5 -63.8 -48.8 48.7 59.8 21.3 159 160 A S H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 116.2 52.2 -69.9 -37.1 47.7 58.8 17.8 160 161 A Q H X S+ 0 0 82 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.920 110.4 49.0 -64.0 -40.6 50.4 56.1 17.6 161 162 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.953 110.6 48.9 -60.7 -53.2 49.2 54.7 21.0 162 163 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.921 113.9 47.7 -53.3 -47.8 45.5 54.6 19.9 163 164 A K H X S+ 0 0 67 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.912 111.0 49.7 -60.1 -45.0 46.6 52.8 16.7 164 165 A A H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 113.5 46.1 -62.7 -44.9 48.8 50.3 18.4 165 166 A I H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.929 114.9 46.4 -61.6 -47.7 46.1 49.4 20.9 166 167 A L H <>S+ 0 0 2 -4,-2.4 5,-2.6 -5,-0.3 4,-0.4 0.934 112.8 49.9 -62.1 -46.9 43.4 49.1 18.2 167 168 A N H ><5S+ 0 0 76 -4,-3.3 3,-1.3 3,-0.2 -1,-0.2 0.897 106.9 57.7 -53.6 -43.9 45.8 47.0 16.0 168 169 A F H 3<5S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 106.5 46.4 -57.5 -40.3 46.5 44.7 19.0 169 170 A I T 3<5S- 0 0 0 -4,-1.5 -32,-1.4 -3,-0.3 -33,-0.4 0.446 130.9 -91.2 -90.0 4.2 42.9 43.8 19.5 170 171 A G T < 5S+ 0 0 11 -3,-1.3 2,-1.2 -4,-0.4 -31,-0.4 0.498 81.2 135.5 107.1 2.2 42.4 43.1 15.8 171 172 A V < + 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.720 22.1 169.5 -80.3 97.4 41.2 46.5 14.4 172 173 A D + 0 0 109 -2,-1.2 2,-0.8 -32,-0.3 -1,-0.2 0.765 56.2 70.0 -89.4 -22.4 43.4 46.6 11.3 173 174 A Q E +d 141 0A 88 -33,-0.7 -31,-2.2 -3,-0.1 2,-0.5 -0.864 59.4 165.7-100.0 107.2 41.8 49.6 9.6 174 175 A V E -d 142 0A 21 -2,-0.8 2,-0.3 -33,-0.2 -31,-0.2 -0.971 12.8-169.8-123.3 113.0 42.6 52.8 11.5 175 176 A D E -d 143 0A 54 -33,-3.1 -31,-3.6 -2,-0.5 2,-0.4 -0.732 7.8-148.3 -99.4 155.9 41.9 56.1 9.8 176 177 A G E -d 144 0A 25 -2,-0.3 2,-0.4 -33,-0.2 -31,-0.2 -0.944 17.0-176.4-121.8 143.5 43.1 59.5 11.1 177 178 A L E -d 145 0A 1 -33,-3.1 -31,-2.6 -2,-0.4 2,-0.5 -0.932 17.7-172.4-132.5 114.1 41.7 63.0 10.9 178 179 A F E -d 146 0A 46 -2,-0.4 2,-0.9 -33,-0.2 -31,-0.2 -0.919 17.6-160.2-115.0 123.0 44.0 65.5 12.5 179 180 A I E +d 147 0A 3 -33,-2.1 -31,-1.9 -2,-0.5 2,-0.3 -0.864 39.1 168.3-103.6 101.0 43.1 69.2 13.1 180 181 A E E +d 148 0A 27 -2,-0.9 -31,-0.2 -33,-0.2 -29,-0.2 -0.853 29.7 19.0-122.9 146.0 46.6 70.6 13.5 181 182 A G > + 0 0 0 -33,-1.2 4,-2.1 -31,-0.5 7,-0.1 0.415 67.0 118.6 94.5 -0.4 48.6 73.7 13.7 182 183 A I T 4 S+ 0 0 4 -34,-0.4 6,-0.2 1,-0.2 7,-0.2 0.874 77.6 56.3 -66.5 -37.9 46.3 76.5 14.5 183 184 A D T 4 S+ 0 0 101 -34,-0.6 -1,-0.2 -35,-0.3 -33,-0.1 0.851 111.4 44.5 -62.6 -32.1 48.1 77.3 17.8 184 185 A H T 4 S+ 0 0 111 -35,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 130.7 23.0 -74.4 -41.1 51.3 77.8 15.7 185 186 A F >< + 0 0 101 -4,-2.1 3,-2.6 1,-0.1 -1,-0.2 -0.649 65.8 171.8-129.0 72.5 49.6 79.8 13.0 186 187 A P G > S+ 0 0 87 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.755 77.6 65.7 -59.5 -21.2 46.4 81.4 14.4 187 188 A D G 3 S+ 0 0 166 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.651 97.0 55.3 -76.2 -13.2 46.0 83.5 11.3 188 189 A R G <> S+ 0 0 94 -3,-2.6 4,-2.6 -6,-0.2 5,-0.3 0.223 75.0 110.9 -98.0 14.9 45.4 80.2 9.3 189 190 A A H <> S+ 0 0 27 -3,-1.4 4,-2.9 1,-0.2 5,-0.3 0.942 76.4 47.2 -52.2 -54.8 42.5 79.1 11.5 190 191 A E H > S+ 0 0 178 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 116.5 44.4 -55.5 -46.5 39.7 79.6 8.9 191 192 A E H > S+ 0 0 88 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.895 117.1 43.1 -65.8 -47.6 41.7 77.8 6.2 192 193 A L H X S+ 0 0 23 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.893 115.3 49.9 -68.9 -37.6 42.9 74.8 8.4 193 194 A L H X S+ 0 0 49 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.887 110.4 50.5 -67.7 -42.7 39.4 74.5 10.0 194 195 A N H X S+ 0 0 84 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.912 109.4 50.5 -58.4 -45.0 37.8 74.5 6.6 195 196 A T H X S+ 0 0 61 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.903 113.8 45.9 -59.3 -43.7 40.2 71.7 5.4 196 197 A A H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.887 110.1 53.1 -66.3 -42.9 39.4 69.7 8.5 197 198 A X H X S+ 0 0 94 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.903 110.3 47.3 -61.9 -41.8 35.6 70.2 8.2 198 199 A T H X S+ 0 0 72 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 111.3 51.1 -69.1 -38.6 35.6 69.0 4.5 199 200 A K H X S+ 0 0 98 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.892 109.2 52.4 -61.0 -40.0 37.7 65.9 5.5 200 201 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.928 110.2 46.5 -61.0 -47.6 35.2 65.2 8.3 201 202 A T H X S+ 0 0 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