==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 10-FEB-12 4AIJ . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR SLYA; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR N.QUADE,C.MENDONCA,K.HERBST,A.K.HEROVEN,D.W.HEINZ,P.DERSCH . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 74.4 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 . 12 4.3 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 0.4 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 2 0 0 0 2 2 0 0 0 0 2 2 1 0 1 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 0 0 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 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 3 A S 0 0 109 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 -1.3 -13.2 5.1 2 4 A T >> + 0 0 27 1,-0.1 4,-2.3 2,-0.1 3,-0.9 -0.148 360.0 144.4-128.1 37.5 2.1 -15.0 4.6 3 5 A L H 3> + 0 0 10 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.803 67.6 54.2 -50.3 -43.1 0.5 -17.6 2.4 4 6 A G H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.921 114.3 40.7 -55.3 -46.1 3.6 -17.8 0.2 5 7 A S H <> S+ 0 0 20 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.773 113.1 53.2 -76.6 -33.0 5.8 -18.6 3.2 6 8 A D H X S+ 0 0 35 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.867 110.5 49.3 -70.4 -39.0 3.3 -20.9 4.9 7 9 A L H X S+ 0 0 3 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.884 106.9 52.6 -63.8 -45.9 3.2 -22.9 1.8 8 10 A A H X S+ 0 0 10 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.880 108.0 55.8 -55.7 -37.0 7.0 -23.1 1.4 9 11 A R H X S+ 0 0 63 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.871 104.9 49.2 -63.4 -43.8 6.9 -24.4 5.0 10 12 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.895 110.1 52.7 -65.8 -39.6 4.5 -27.3 4.2 11 13 A V H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.908 110.4 47.9 -57.4 -45.8 6.7 -28.2 1.2 12 14 A R H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.882 114.6 44.2 -62.8 -44.0 9.8 -28.3 3.5 13 15 A V H X S+ 0 0 32 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.730 111.5 53.2 -80.2 -20.9 8.1 -30.5 6.2 14 16 A W H X S+ 0 0 13 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.907 113.0 45.4 -73.2 -42.9 6.5 -32.8 3.6 15 17 A R H X S+ 0 0 77 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.893 111.9 49.7 -68.5 -43.6 9.9 -33.4 2.1 16 18 A A H X S+ 0 0 55 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.815 108.0 53.9 -67.0 -35.0 11.7 -33.9 5.4 17 19 A L H X S+ 0 0 5 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.888 112.2 44.8 -63.8 -45.5 9.1 -36.5 6.6 18 20 A I H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.957 113.5 49.9 -56.7 -53.0 9.8 -38.4 3.4 19 21 A D H < S+ 0 0 56 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.891 110.9 51.0 -52.0 -41.5 13.5 -37.9 4.0 20 22 A H H >< S+ 0 0 116 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.955 110.3 47.9 -61.6 -50.8 13.0 -39.2 7.6 21 23 A R H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.749 113.6 47.8 -60.8 -27.8 11.1 -42.3 6.4 22 24 A L T >< S+ 0 0 7 -4,-2.0 3,-1.7 1,-0.2 5,-0.4 0.362 79.0 111.4 -94.7 3.7 13.8 -43.1 3.7 23 25 A K G X + 0 0 149 -3,-1.4 3,-2.9 -4,-0.4 -1,-0.2 0.843 68.0 57.7 -50.9 -51.2 16.8 -42.6 6.1 24 26 A P G 3 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.644 96.4 67.8 -63.9 -11.1 18.1 -46.3 6.3 25 27 A L G < S- 0 0 52 -3,-1.7 -2,-0.2 2,-0.1 -3,-0.0 0.688 98.4-142.5 -72.3 -20.3 18.4 -46.2 2.6 26 28 A E < + 0 0 169 -3,-2.9 2,-0.4 -4,-0.3 -3,-0.1 0.880 47.7 140.5 54.7 47.0 21.3 -43.7 3.0 27 29 A L - 0 0 26 -5,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 -0.977 55.6-118.6-109.0 137.2 20.6 -41.5 0.0 28 30 A T >> - 0 0 82 -2,-0.4 4,-1.7 1,-0.1 3,-0.6 -0.319 35.9-107.6 -51.6 150.9 20.9 -37.7 0.1 29 31 A Q H 3> S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.930 120.9 58.9 -52.2 -47.2 17.4 -36.1 -0.6 30 32 A T H 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 103.5 51.3 -50.6 -43.6 18.7 -35.1 -4.0 31 33 A H H <> S+ 0 0 13 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.966 113.1 42.3 -61.8 -49.0 19.4 -38.7 -5.0 32 34 A W H X S+ 0 0 9 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.904 112.9 53.2 -70.9 -33.3 15.9 -40.0 -4.1 33 35 A V H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.913 113.8 43.4 -60.7 -49.1 14.1 -37.1 -5.6 34 36 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.908 112.9 50.4 -62.9 -48.4 16.0 -37.6 -8.9 35 37 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.908 111.3 51.4 -57.1 -42.1 15.6 -41.4 -8.8 36 38 A Y H X S+ 0 0 15 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.931 111.7 45.2 -58.9 -47.2 11.8 -40.9 -8.2 37 39 A N H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.897 108.8 55.4 -71.0 -38.8 11.5 -38.5 -11.2 38 40 A I H < S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.2 38.9 -53.8 -45.2 13.5 -40.7 -13.5 39 41 A N H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.771 116.8 51.3 -71.4 -32.3 11.1 -43.5 -12.8 40 42 A R H < S+ 0 0 72 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.723 107.0 57.7 -82.2 -25.7 8.0 -41.3 -12.7 41 43 A L S < S- 0 0 25 -4,-1.9 9,-0.0 -5,-0.1 0, 0.0 -0.675 95.1 -86.1-113.0 158.7 8.6 -39.6 -16.1 42 44 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.351 34.2-124.6 -64.5 142.4 9.0 -40.7 -19.7 43 45 A P T 3 S+ 0 0 61 0, 0.0 45,-0.7 0, 0.0 -4,-0.0 0.743 111.8 66.3 -61.1 -22.9 12.5 -41.7 -20.7 44 46 A E T 3 S+ 0 0 143 43,-0.1 2,-1.2 2,-0.1 5,-0.1 0.784 74.1 97.5 -65.5 -28.5 12.3 -39.2 -23.5 45 47 A Q S < S- 0 0 54 -3,-2.0 43,-0.1 -7,-0.1 2,-0.1 -0.544 73.7-164.4 -61.7 96.5 12.1 -36.6 -20.8 46 48 A S >> - 0 0 32 -2,-1.2 4,-2.7 41,-0.1 3,-1.8 -0.357 31.3 -72.3 -93.7 167.6 15.9 -35.9 -21.2 47 49 A Q H 3> S+ 0 0 40 1,-0.3 4,-2.3 39,-0.3 -2,-0.0 0.704 129.9 42.4 -28.5 -66.3 18.5 -34.1 -19.0 48 50 A I H 3> S+ 0 0 113 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.858 121.2 43.6 -56.0 -37.0 17.3 -30.5 -19.5 49 51 A Q H X> S+ 0 0 87 -3,-1.8 4,-1.0 1,-0.2 3,-0.7 0.893 110.4 56.9 -71.2 -43.0 13.7 -31.6 -19.1 50 52 A L H 3X S+ 0 0 2 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.901 97.4 61.7 -54.8 -47.3 14.5 -33.8 -16.2 51 53 A A H 3X>S+ 0 0 6 -4,-2.3 4,-1.6 -5,-0.2 5,-1.0 0.757 97.3 57.0 -57.7 -30.6 16.0 -31.0 -14.1 52 54 A K H <<5S+ 0 0 167 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.940 108.2 46.0 -67.8 -48.1 12.8 -28.9 -13.9 53 55 A A H <5S+ 0 0 12 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.823 115.7 47.1 -60.0 -35.0 10.7 -31.7 -12.4 54 56 A I H <5S- 0 0 10 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.790 111.1-132.0 -78.1 -24.5 13.6 -32.3 -10.0 55 57 A G T <5 + 0 0 27 -4,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.213 66.2 102.8 100.2 -9.9 13.7 -28.5 -9.5 56 58 A I S - 0 0 150 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.221 36.4-123.8 -63.0 145.4 19.9 -26.7 -12.5 58 60 A Q H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.793 109.0 53.4 -67.3 -33.5 21.1 -29.0 -15.2 59 61 A P H > S+ 0 0 77 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.955 110.1 48.9 -63.8 -43.8 24.8 -28.8 -14.5 60 62 A S H > S+ 0 0 51 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.861 109.5 52.4 -60.0 -35.2 24.0 -29.8 -10.9 61 63 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.3 0.781 102.1 61.4 -68.0 -26.1 21.9 -32.6 -12.3 62 64 A V H X S+ 0 0 52 -4,-1.4 4,-1.2 -3,-0.4 -2,-0.2 0.917 104.5 47.5 -62.5 -42.4 25.0 -33.5 -14.3 63 65 A R H X S+ 0 0 132 -4,-1.7 4,-1.7 2,-0.2 3,-0.2 0.931 112.5 48.5 -62.1 -46.1 26.8 -34.1 -11.0 64 66 A T H X S+ 0 0 6 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.916 107.8 52.8 -63.3 -46.7 24.0 -36.2 -9.6 65 67 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.780 107.4 54.4 -60.8 -30.2 23.6 -38.5 -12.7 66 68 A D H X S+ 0 0 53 -4,-1.2 4,-2.4 -3,-0.2 -1,-0.2 0.938 112.2 42.7 -64.3 -51.0 27.4 -39.2 -12.5 67 69 A Q H X S+ 0 0 66 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.930 114.9 48.9 -60.6 -51.5 27.1 -40.3 -8.8 68 70 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 6,-0.4 0.852 113.8 48.5 -58.7 -35.2 23.9 -42.3 -9.4 69 71 A E H ><5S+ 0 0 66 -4,-1.5 3,-1.8 -5,-0.3 -2,-0.2 0.883 107.5 52.2 -74.3 -40.2 25.7 -44.0 -12.5 70 72 A E H 3<5S+ 0 0 183 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.866 106.0 55.8 -62.9 -37.1 28.9 -44.8 -10.6 71 73 A K T 3<5S- 0 0 114 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.421 120.2-118.9 -65.0 -3.2 26.7 -46.5 -8.0 72 74 A G T < 5S+ 0 0 25 -3,-1.8 -3,-0.2 -5,-0.1 21,-0.2 0.714 79.6 120.8 62.9 29.1 25.3 -48.5 -11.0 73 75 A L < + 0 0 9 -5,-2.7 18,-2.2 -6,-0.2 2,-0.3 0.684 68.7 28.7 -93.3 -20.0 21.7 -47.2 -10.7 74 76 A I E -A 90 0A 6 -6,-0.4 2,-0.4 16,-0.3 16,-0.2 -0.946 64.7-133.7-142.8 156.5 21.1 -45.6 -14.0 75 77 A T E -A 89 0A 37 14,-2.4 14,-1.1 -2,-0.3 2,-0.6 -0.954 8.2-166.5-114.3 132.2 22.2 -45.7 -17.7 76 78 A R E +A 88 0A 46 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.898 28.0 161.5-114.3 98.6 23.2 -42.7 -19.8 77 79 A H E -A 87 0A 93 10,-1.7 10,-3.3 -2,-0.6 2,-0.2 -0.907 43.5-101.6-123.6 148.9 23.3 -43.9 -23.4 78 80 A T E -A 86 0A 74 -2,-0.3 8,-0.2 8,-0.2 2,-0.2 -0.432 42.2-113.1 -63.3 128.8 23.2 -42.1 -26.8 79 81 A S - 0 0 28 6,-2.3 3,-0.2 3,-0.3 6,-0.2 -0.490 21.2-127.6 -62.8 131.2 19.7 -42.3 -28.5 80 82 A A S S+ 0 0 112 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.684 109.1 45.9 -56.9 -19.8 20.0 -44.5 -31.6 81 83 A N S S+ 0 0 143 1,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.835 118.5 33.9 -89.8 -41.5 18.4 -41.6 -33.6 82 84 A D - 0 0 40 3,-0.2 -3,-0.3 -3,-0.2 -1,-0.2 -0.921 61.1-150.2-122.8 147.0 20.4 -38.7 -32.3 83 85 A R S S+ 0 0 236 -2,-0.3 -5,-0.1 1,-0.1 3,-0.1 0.302 95.3 39.2-100.5 6.9 24.1 -38.4 -31.2 84 86 A R S S+ 0 0 219 -5,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.456 97.6 82.7-127.9 -10.0 23.8 -35.6 -28.6 85 87 A A - 0 0 40 -6,-0.2 -6,-2.3 -38,-0.0 2,-0.3 -0.847 68.2-151.9 -98.4 131.8 20.5 -36.5 -26.9 86 88 A K E -A 78 0A 100 -2,-0.4 2,-0.4 -8,-0.2 -39,-0.3 -0.771 11.5-131.0-113.3 147.9 20.7 -39.2 -24.2 87 89 A R E -A 77 0A 134 -10,-3.3 -10,-1.7 -2,-0.3 2,-0.5 -0.811 20.9-165.1 -91.0 129.7 18.4 -41.8 -22.7 88 90 A I E +A 76 0A 4 -45,-0.7 2,-0.3 -2,-0.4 -12,-0.2 -0.977 23.2 144.5-117.7 119.6 18.2 -41.9 -18.9 89 91 A K E -A 75 0A 75 -14,-1.1 -14,-2.4 -2,-0.5 -50,-0.1 -0.993 46.6 -97.0-150.4 154.1 16.6 -45.0 -17.2 90 92 A L E -A 74 0A 24 -2,-0.3 -16,-0.3 -16,-0.2 2,-0.1 -0.253 35.8-121.8 -64.0 151.7 17.0 -47.1 -14.1 91 93 A T > - 0 0 34 -18,-2.2 3,-0.7 1,-0.1 -1,-0.1 -0.435 25.3-111.7 -87.2 164.8 19.0 -50.4 -14.1 92 94 A E G > S+ 0 0 186 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.858 120.4 64.1 -62.1 -31.7 17.4 -53.7 -13.0 93 95 A Q G 3 S+ 0 0 123 1,-0.3 4,-0.3 -21,-0.2 -1,-0.2 0.747 97.2 53.2 -62.8 -28.8 19.8 -53.3 -10.0 94 96 A S G <> S+ 0 0 1 -3,-0.7 4,-2.2 -21,-0.2 -1,-0.3 0.339 80.9 102.3 -86.6 3.6 17.9 -50.2 -8.9 95 97 A S H <> S+ 0 0 73 -3,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.917 85.1 38.6 -54.5 -50.5 14.6 -52.2 -9.0 96 98 A P H > S+ 0 0 68 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.783 113.0 57.4 -75.8 -23.8 14.4 -52.7 -5.2 97 99 A I H > S+ 0 0 44 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.887 109.0 44.2 -71.7 -41.6 15.6 -49.2 -4.4 98 100 A I H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.844 107.7 56.4 -74.1 -28.6 12.9 -47.5 -6.4 99 101 A E H X S+ 0 0 140 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.2 0.891 110.1 50.3 -69.5 -27.2 10.1 -49.7 -5.1 100 102 A Q H X S+ 0 0 103 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.979 115.4 38.6 -67.8 -57.4 11.4 -48.5 -1.7 101 103 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.3 0.969 117.6 49.6 -62.0 -55.5 11.4 -44.7 -2.5 102 104 A D H X S+ 0 0 43 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.808 111.1 52.4 -51.5 -34.2 8.1 -44.8 -4.6 103 105 A G H X S+ 0 0 31 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.868 109.2 45.9 -74.5 -41.2 6.5 -46.7 -1.7 104 106 A V H X S+ 0 0 23 -4,-2.1 4,-2.8 -3,-0.3 -2,-0.2 0.930 115.9 48.0 -62.4 -44.8 7.4 -44.2 1.0 105 107 A I H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.866 115.5 42.4 -66.0 -44.5 6.3 -41.3 -1.3 106 108 A S H X S+ 0 0 34 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.891 116.4 47.6 -74.8 -41.9 3.0 -42.9 -2.2 107 109 A S H X S+ 0 0 51 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.895 113.7 48.9 -61.4 -44.8 2.2 -44.1 1.3 108 110 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.915 111.4 48.7 -57.4 -50.0 3.1 -40.6 2.6 109 111 A R H X S+ 0 0 36 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.855 114.3 47.3 -57.3 -41.4 0.9 -38.9 -0.0 110 112 A K H < S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 116.0 43.3 -73.8 -32.1 -2.0 -41.2 0.9 111 113 A E H < S+ 0 0 86 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.863 109.5 55.9 -82.1 -33.9 -1.6 -40.7 4.6 112 114 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0.926 115.1 43.7 -65.8 -45.3 19.4 -12.7 1.8 173 34 B W H X S+ 0 0 9 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.900 116.0 46.9 -74.8 -33.4 16.1 -11.4 0.6 174 35 B V H X S+ 0 0 24 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.849 113.0 51.1 -70.9 -32.6 14.1 -14.2 2.2 175 36 B T H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.932 111.1 46.6 -72.8 -41.6 16.1 -13.6 5.4 176 37 B L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.939 109.5 53.6 -63.4 -46.9 15.4 -9.9 5.5 177 38 B Y H X S+ 0 0 29 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.915 114.0 45.4 -51.8 -43.1 11.7 -10.4 4.8 178 39 B N H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.922 106.6 54.2 -69.9 -45.1 11.7 -12.8 7.8 179 40 B I H < S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.9 53.2 -54.1 -37.7 13.7 -10.7 10.3 180 41 B N H < S+ 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.903 112.5 40.2 -69.0 -40.5 11.2 -7.8 9.7 181 42 B R H < S+ 0 0 110 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.734 110.3 67.5 -79.9 -25.1 8.1 -9.8 10.4 182 43 B L S < S- 0 0 30 -4,-1.9 4,-0.1 -5,-0.1 9,-0.0 -0.718 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