==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUN-10 3NRH . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN BF1032; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR J.SEETHARAMAN,S.LEW,S.SAHDEV,R.XIAO,C.CICCOSANTI,D.WANG,J.K. . 310 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 0 0 0 0 0 0 0 0 3 0 3 2 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL 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 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 6 A Q > 0 0 150 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -90.5 36.8 -12.3 0.7 2 7 A V G > + 0 0 34 1,-0.2 3,-2.4 2,-0.2 6,-0.3 0.748 360.0 78.3 -71.9 -23.0 39.1 -11.6 3.6 3 8 A I G 3 S+ 0 0 5 1,-0.3 -1,-0.2 5,-0.1 116,-0.0 0.600 93.6 51.3 -62.8 -8.6 39.2 -7.9 2.7 4 9 A F G < S+ 0 0 151 -3,-1.1 -1,-0.3 4,-0.1 -2,-0.2 0.431 82.5 129.2-104.7 -3.6 35.8 -7.7 4.4 5 10 A D <> - 0 0 43 -3,-2.4 4,-2.1 1,-0.1 3,-0.3 -0.208 66.0-128.7 -54.1 138.6 37.1 -9.4 7.6 6 11 A K H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.844 111.2 51.0 -58.6 -35.5 36.2 -7.5 10.7 7 12 A N H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.814 106.4 54.7 -72.7 -31.4 39.9 -7.7 11.8 8 13 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 -6,-0.3 -2,-0.2 0.939 106.5 51.3 -67.1 -45.6 41.0 -6.3 8.4 9 14 A I H X S+ 0 0 67 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.917 110.3 47.6 -57.2 -47.7 38.8 -3.3 8.8 10 15 A E H X S+ 0 0 94 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.853 111.1 52.5 -64.8 -33.3 40.1 -2.4 12.3 11 16 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.932 107.0 52.2 -66.9 -44.7 43.7 -2.9 11.0 12 17 A V H X S+ 0 0 7 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.919 108.0 53.3 -56.8 -43.6 43.0 -0.5 8.1 13 18 A T H X S+ 0 0 39 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.931 113.9 38.8 -59.3 -49.7 41.8 2.1 10.6 14 19 A V H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.871 113.5 56.9 -71.1 -33.6 44.9 2.1 12.8 15 20 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.922 109.5 45.4 -61.4 -43.6 47.2 1.7 9.8 16 21 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.898 112.2 51.0 -66.9 -40.6 45.7 5.0 8.4 17 22 A E H X S+ 0 0 70 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.897 111.2 49.8 -63.0 -39.5 45.9 6.7 11.7 18 23 A F H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.948 113.0 44.3 -64.1 -50.9 49.6 5.6 12.0 19 24 A C H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 114.4 50.1 -62.2 -41.7 50.5 6.9 8.5 20 25 A A H X S+ 0 0 2 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.892 108.4 53.4 -63.8 -40.1 48.6 10.1 9.0 21 26 A F H >< S+ 0 0 25 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.939 111.9 43.1 -60.4 -49.6 50.3 10.7 12.4 22 27 A L H >< S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.867 110.6 56.8 -65.6 -35.8 53.8 10.4 10.9 23 28 A E H 3< S+ 0 0 41 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.746 108.2 47.7 -67.4 -23.0 52.9 12.4 7.9 24 29 A R T X< S+ 0 0 82 -4,-1.2 3,-2.0 -3,-0.5 -1,-0.3 0.178 77.3 117.8-102.5 16.7 51.9 15.3 10.2 25 30 A A G X + 0 0 2 -3,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.820 64.7 62.7 -52.9 -41.3 55.1 15.1 12.3 26 31 A E G 3 S+ 0 0 102 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.550 94.4 69.7 -65.3 -3.3 56.3 18.6 11.4 27 32 A S G < S+ 0 0 39 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 -0.105 97.3 45.6-107.1 36.8 53.2 19.9 13.2 28 33 A X S < S- 0 0 46 -3,-0.9 2,-0.1 4,-0.0 0, 0.0 -0.996 76.9 -96.8-167.5 167.3 54.0 19.0 16.8 29 34 A K > - 0 0 156 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.464 40.2-110.2 -87.8 161.2 56.4 18.9 19.7 30 35 A R H > S+ 0 0 81 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.871 116.0 56.3 -60.1 -39.5 58.6 15.9 20.6 31 36 A S H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 110.8 43.8 -59.4 -45.6 56.6 15.3 23.8 32 37 A T H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.891 114.1 51.5 -66.0 -40.2 53.4 15.0 21.9 33 38 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 113.4 43.2 -61.5 -51.1 55.1 12.9 19.2 34 39 A V H X S+ 0 0 6 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.934 113.8 50.0 -62.5 -48.6 56.6 10.4 21.7 35 40 A D H < S+ 0 0 52 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.896 115.0 43.6 -58.1 -43.8 53.4 10.1 23.8 36 41 A T H >X S+ 0 0 41 -4,-2.1 4,-2.6 -5,-0.2 3,-1.3 0.878 109.3 54.7 -72.0 -39.2 51.2 9.4 20.9 37 42 A T H 3X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.851 102.6 58.6 -63.8 -33.0 53.5 7.0 19.1 38 43 A L H 3< S+ 0 0 27 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.616 111.8 41.8 -72.0 -11.1 53.6 4.9 22.2 39 44 A K H <> S+ 0 0 154 -3,-1.3 4,-1.1 -4,-0.2 -2,-0.2 0.789 116.0 46.3 -99.6 -41.2 49.8 4.5 22.0 40 45 A I H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.924 107.2 57.3 -68.9 -44.0 49.5 4.0 18.2 41 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.910 105.5 47.3 -57.1 -48.2 52.3 1.4 17.9 42 47 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 114.1 48.7 -63.9 -32.8 50.9 -1.2 20.4 43 48 A L H X S+ 0 0 80 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.891 110.8 50.5 -70.8 -38.3 47.5 -0.9 18.8 44 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.912 111.7 48.0 -64.7 -41.9 49.0 -1.3 15.3 45 50 A Y H X S+ 0 0 88 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.3 49.2 -63.6 -47.1 50.9 -4.4 16.5 46 51 A L H X S+ 0 0 88 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.931 112.2 46.6 -58.9 -49.0 47.8 -5.9 18.1 47 52 A K H < S+ 0 0 33 -4,-2.6 4,-0.3 1,-0.2 3,-0.2 0.870 112.2 50.7 -64.1 -35.8 45.6 -5.4 15.0 48 53 A A H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.913 108.5 52.8 -66.9 -40.1 48.3 -6.8 12.8 49 54 A S H 3< S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.726 107.7 52.8 -66.5 -22.7 48.6 -9.9 15.0 50 55 A X T 3< S+ 0 0 87 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.406 81.1 121.5 -94.9 1.4 44.8 -10.4 14.8 51 56 A L < - 0 0 17 -3,-1.3 2,-0.1 -4,-0.3 3,-0.1 -0.257 65.0-113.7 -64.1 150.1 44.6 -10.4 11.0 52 57 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.377 43.4 -79.2 -80.9 166.1 43.2 -13.5 9.3 53 58 A K - 0 0 197 -2,-0.1 2,-0.4 1,-0.0 74,-0.1 -0.492 51.9-162.8 -68.3 126.8 45.3 -15.8 7.1 54 59 A C - 0 0 26 -2,-0.3 2,-0.4 73,-0.1 70,-0.0 -0.885 6.2-155.4-115.7 145.4 45.7 -14.3 3.6 55 60 A E - 0 0 128 -2,-0.4 2,-0.2 0, 0.0 72,-0.2 -0.933 24.0-112.5-120.5 142.6 46.8 -16.0 0.4 56 61 A X - 0 0 101 -2,-0.4 68,-0.1 1,-0.2 69,-0.0 -0.503 24.8-177.7 -71.1 134.1 48.5 -14.5 -2.7 57 62 A I - 0 0 75 1,-0.2 2,-0.4 63,-0.2 -1,-0.2 0.739 25.0-169.8 -96.1 -39.1 46.3 -14.5 -5.8 58 63 A G + 0 0 25 62,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.713 40.6 114.7 87.9-133.2 49.1 -12.9 -7.9 59 64 A D S S+ 0 0 154 -2,-0.4 2,-0.2 2,-0.0 -1,-0.0 -0.556 80.8 27.7 67.7-124.9 48.1 -11.7 -11.3 60 65 A E S S- 0 0 109 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.1 -0.383 84.0-120.8 -72.2 132.2 48.6 -8.0 -11.2 61 66 A S - 0 0 103 -2,-0.2 60,-0.1 1,-0.1 -1,-0.1 -0.498 33.4-111.3 -72.9 136.5 51.1 -6.3 -8.9 62 67 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.371 38.9 -98.7 -67.0 149.0 49.5 -3.8 -6.4 63 68 A E - 0 0 87 50,-0.1 2,-0.3 1,-0.1 50,-0.2 -0.346 37.3-136.0 -65.4 151.2 50.5 -0.2 -7.0 64 69 A T - 0 0 84 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.814 21.1-177.5-109.2 151.0 53.2 1.2 -4.8 65 70 A Y + 0 0 9 -2,-0.3 2,-0.3 40,-0.2 -1,-0.1 0.774 56.0 84.0-111.0 -52.5 53.2 4.5 -3.1 66 71 A V - 0 0 16 39,-0.3 2,-0.2 38,-0.1 -1,-0.1 -0.406 53.9-179.8 -65.9 117.7 56.4 5.0 -1.2 67 72 A T > - 0 0 59 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.573 45.7 -98.8-106.0 171.7 59.2 6.4 -3.4 68 73 A E H > S+ 0 0 130 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.894 125.4 50.6 -59.5 -39.0 62.8 7.1 -2.3 69 74 A E H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.914 109.9 48.3 -65.4 -44.9 61.9 10.8 -1.9 70 75 A I H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.938 115.4 46.4 -59.7 -47.5 58.8 10.1 0.2 71 76 A Y H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.923 114.4 45.7 -62.0 -48.9 60.9 7.8 2.4 72 77 A E H X S+ 0 0 56 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.896 111.3 51.0 -64.5 -42.7 63.8 10.2 2.8 73 78 A V H X S+ 0 0 59 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.919 113.5 46.1 -62.4 -42.6 61.7 13.3 3.5 74 79 A L H X S+ 0 0 14 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.935 112.0 50.4 -65.5 -47.3 59.8 11.4 6.2 75 80 A R H X S+ 0 0 66 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 111.6 48.3 -56.8 -47.3 62.9 9.9 7.8 76 81 A I H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.893 111.2 49.9 -62.1 -41.2 64.6 13.3 7.9 77 82 A N H X S+ 0 0 35 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.910 112.6 46.8 -65.1 -41.1 61.6 15.0 9.5 78 83 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.905 110.5 53.2 -66.9 -39.8 61.2 12.3 12.1 79 84 A A H X S+ 0 0 25 -4,-2.6 4,-2.4 -5,-0.2 7,-0.2 0.887 108.2 51.2 -62.0 -38.3 65.0 12.6 12.8 80 85 A S H < S+ 0 0 84 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.871 109.0 50.3 -67.2 -37.5 64.6 16.3 13.3 81 86 A I H < S+ 0 0 29 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.6 38.9 -65.9 -45.3 61.7 15.9 15.8 82 87 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.796 84.7 171.3 -76.1 -30.7 63.7 13.3 17.9 83 88 A A G >< S- 0 0 41 -4,-2.4 3,-2.2 1,-0.3 4,-0.3 -0.280 74.6 -0.4 55.2-133.4 67.1 15.1 17.6 84 89 A E G 3 S+ 0 0 130 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.670 130.5 68.4 -58.0 -16.1 69.6 13.5 19.9 85 90 A K G < S+ 0 0 49 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.559 79.6 79.4 -77.0 -14.5 66.8 11.1 21.0 86 91 A D S < S+ 0 0 7 -3,-2.2 10,-2.8 -7,-0.2 2,-0.3 0.858 80.7 73.7 -65.3 -35.6 66.7 9.4 17.6 87 92 A D E +A 95 0A 89 -3,-0.5 2,-0.3 -4,-0.3 8,-0.2 -0.593 56.3 165.0 -86.4 139.7 69.7 7.2 18.3 88 93 A Y E -A 94 0A 32 6,-2.2 6,-2.6 -2,-0.3 2,-0.7 -0.992 35.0-125.7-150.6 147.8 69.7 4.2 20.5 89 94 A L E A 93 0A 88 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.866 360.0 360.0 -97.7 114.8 71.9 1.2 21.1 90 95 A E 0 0 51 2,-2.3 57,-0.1 -2,-0.7 3,-0.1 -0.270 360.0 360.0-176.8 360.0 70.0 -2.0 20.7 91 ! 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 92 108 A I 0 0 147 0, 0.0 -2,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.8 74.3 -1.9 17.3 93 109 A K E +A 89 0A 178 -4,-0.2 2,-0.3 -3,-0.1 -4,-0.2 -0.615 360.0 171.9 -78.8 126.6 73.5 1.7 16.7 94 110 A K E -A 88 0A 68 -6,-2.6 -6,-2.2 -2,-0.4 2,-0.4 -0.839 25.1-135.8-129.1 165.8 69.9 2.3 15.4 95 111 A N E > -A 87 0A 42 -2,-0.3 4,-2.0 -8,-0.2 3,-0.3 -0.992 7.5-147.7-128.3 128.6 67.7 5.3 14.7 96 112 A I H > S+ 0 0 0 -10,-2.8 4,-2.9 -2,-0.4 5,-0.3 0.909 100.9 59.4 -57.5 -42.3 64.0 5.5 15.6 97 113 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 106.4 46.3 -56.0 -40.1 63.4 7.6 12.6 98 114 A E H > S+ 0 0 79 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.904 111.9 50.9 -70.5 -41.4 64.7 4.9 10.2 99 115 A D H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.939 112.8 46.1 -59.5 -49.0 62.6 2.2 12.0 100 116 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.908 112.4 49.5 -62.3 -42.7 59.5 4.3 11.7 101 117 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.889 111.0 51.4 -64.3 -37.5 60.1 5.2 8.1 102 118 A D H X S+ 0 0 34 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.926 111.7 45.1 -64.5 -45.5 60.7 1.5 7.3 103 119 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.932 110.7 56.1 -63.1 -43.6 57.4 0.4 9.0 104 120 A Y H X S+ 0 0 7 -4,-2.7 4,-3.3 1,-0.2 5,-0.5 0.873 99.2 60.5 -55.2 -41.7 55.7 3.3 7.2 105 121 A Q H X S+ 0 0 84 -4,-2.0 4,-1.5 1,-0.2 -39,-0.3 0.929 111.3 38.8 -55.4 -46.5 56.8 2.0 3.8 106 122 A D H X S+ 0 0 35 -4,-1.3 4,-1.5 -3,-0.3 -2,-0.2 0.929 120.8 43.6 -71.4 -43.6 55.0 -1.3 4.4 107 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.935 114.8 48.0 -68.0 -46.3 51.9 0.2 6.0 108 124 A K H X S+ 0 0 13 -4,-3.3 4,-2.1 1,-0.2 5,-0.2 0.891 109.2 52.8 -62.5 -41.9 51.5 3.1 3.6 109 125 A D H X S+ 0 0 30 -4,-1.5 4,-1.6 -5,-0.5 -1,-0.2 0.904 111.8 48.8 -61.0 -39.1 51.9 1.0 0.5 110 126 A F H X S+ 0 0 3 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.960 112.7 42.7 -65.8 -55.1 49.1 -1.3 1.9 111 127 A I H X S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.814 110.1 57.7 -66.5 -29.1 46.5 1.3 2.8 112 128 A F H X S+ 0 0 13 -4,-2.1 4,-0.6 -5,-0.2 3,-0.4 0.977 112.4 40.4 -62.1 -53.1 47.0 3.3 -0.4 113 129 A V H >< S+ 0 0 2 -4,-1.6 3,-1.3 1,-0.2 4,-0.4 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4,-2.5 1,-0.1 5,-0.2 -0.555 42.0-102.7-103.6 170.9 47.5 20.9 8.6 228 73 B E H > S+ 0 0 159 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 123.7 53.6 -60.5 -39.1 49.0 24.3 7.7 229 74 B E H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 110.0 44.9 -60.3 -50.1 52.4 22.6 7.5 230 75 B I H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.906 114.0 50.7 -62.0 -42.9 51.2 19.9 5.0 231 76 B Y H X S+ 0 0 33 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.943 112.8 45.0 -60.6 -50.3 49.4 22.6 2.9 232 77 B E H X S+ 0 0 83 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.900 111.0 51.8 -64.0 -43.1 52.4 24.9 2.7 233 78 B V H X S+ 0 0 61 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.941 114.1 44.5 -59.6 -46.3 54.9 22.1 1.9 234 79 B L H X S+ 0 0 13 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.931 113.5 49.8 -63.2 -47.2 52.7 20.9 -0.9 235 80 B R H X S+ 0 0 59 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.931 112.1 48.3 -57.6 -47.1 52.0 24.5 -2.2 236 81 B I H X S+ 0 0 82 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.896 111.7 49.3 -61.0 -43.1 55.7 25.3 -2.2 237 82 B N H X S+ 0 0 44 -4,-2.2 4,-1.4 -5,-0.2 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-41.9 47.7 27.5 -4.6 258 115 B D H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.937 111.8 46.3 -58.6 -48.3 44.6 26.4 -6.5 259 116 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.863 111.0 51.8 -64.2 -37.5 45.8 22.8 -6.5 260 117 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.892 110.1 49.6 -66.8 -38.4 46.7 22.9 -2.8 261 118 B D H X S+ 0 0 28 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.880 112.4 47.0 -67.0 -38.7 43.2 24.2 -1.9 262 119 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.920 110.1 53.9 -67.2 -43.3 41.6 21.4 -4.0 263 120 B Y H X S+ 0 0 6 -4,-2.6 4,-3.6 1,-0.2 5,-0.4 0.895 101.5 60.4 -56.8 -42.4 43.9 18.9 -2.3 264 121 B Q H X S+ 0 0 81 -4,-2.1 4,-1.8 1,-0.2 -38,-0.3 0.922 110.8 38.9 -53.1 -49.3 42.8 20.1 1.1 265 122 B D H X S+ 0 0 20 -4,-1.3 4,-1.5 -3,-0.2 -2,-0.2 0.940 120.4 44.3 -69.2 -46.9 39.2 19.2 0.4 266 123 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.932 115.8 46.1 -65.1 -46.4 39.9 16.0 -1.4 267 124 B K H X S+ 0 0 15 -4,-3.6 4,-2.1 1,-0.2 5,-0.2 0.913 109.9 53.3 -63.4 -44.2 42.5 14.7 1.0 268 125 B D H X S+ 0 0 37 -4,-1.8 4,-1.2 -5,-0.4 -1,-0.2 0.858 112.4 48.2 -59.5 -34.7 40.4 15.5 4.1 269 126 B F H X S+ 0 0 3 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.975 112.3 42.7 -70.7 -58.1 37.6 13.5 2.6 270 127 B I H X S+ 0 0 4 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.801 108.8 60.0 -64.3 -27.6 39.4 10.3 1.6 271 128 B F H X S+ 0 0 11 -4,-2.1 4,-0.7 -5,-0.2 3,-0.3 0.970 111.7 38.8 -62.3 -51.7 41.4 10.1 4.8 272 129 B V H >< S+ 0 0 1 -4,-1.2 3,-1.1 -5,-0.2 5,-0.4 0.886 109.1 61.7 -66.0 -38.9 38.2 9.9 6.9 273 130 B F H >< S+ 0 0 16 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.871 102.9 52.3 -56.6 -35.6 36.5 7.7 4.4 274 131 B Q H 3< S+ 0 0 25 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.722 89.3 78.0 -74.4 -20.2 39.2 5.1 5.0 275 132 B L T << S- 0 0 9 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.628 96.1-133.9 -65.7 -12.4 38.7 5.1 8.8 276 133 B G < + 0 0 31 -3,-1.0 2,-0.8 -4,-0.4 -3,-0.1 0.582 57.8 135.1 74.1 11.8 35.6 3.0 8.4 277 134 B L > - 0 0 93 -5,-0.4 4,-2.8 1,-0.2 3,-0.5 -0.851 46.7-149.7 -96.7 110.4 33.1 4.7 10.6 278 135 B N H > S+ 0 0 86 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.834 92.2 53.1 -44.5 -46.2 29.9 4.9 8.7 279 136 B E H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 116.7 35.9 -61.4 -46.5 28.8 8.2 10.4 280 137 B T H > S+ 0 0 5 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.784 112.6 59.7 -79.0 -26.0 31.9 10.1 9.6 281 138 B X H X S+ 0 0 21 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.948 110.2 44.6 -62.6 -44.5 32.3 8.4 6.2 282 139 B N H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.912 116.1 44.4 -64.8 -45.5 28.9 9.9 5.4 283 140 B D H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.837 109.5 55.2 -72.1 -31.0 29.6 13.3 6.8 284 141 B S H X S+ 0 0 5 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.897 111.7 45.9 -66.9 -37.0 33.1 13.5 5.2 285 142 B L H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.919 112.0 50.9 -68.9 -43.7 31.4 12.8 1.8 286 143 B A H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.901 110.8 49.0 -60.5 -42.5 28.7 15.4 2.6 287 144 B I H X S+ 0 0 54 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.919 111.7 48.8 -63.4 -45.0 31.3 18.0 3.4 288 145 B C H X S+ 0 0 1 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