==== 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 SIGNALING PROTEIN, PROTEIN BINDING 27-APR-12 4EWI . COMPND 2 MOLECULE: NACHT, LRR AND PYD DOMAINS-CONTAINING PROTEIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.EIBL,M.HESSENBERGER,S.PUEHRINGER,R.PAGE,K.DIEDERICHS,W.PET . 181 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 74.6 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 4 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 2 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 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 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 5 A F > 0 0 176 0, 0.0 3,-1.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 97.8 25.7 36.0 5.6 2 6 A F T 3 + 0 0 112 1,-0.2 178,-0.1 179,-0.0 179,-0.0 0.428 360.0 80.9 -80.6 5.0 25.6 39.1 3.6 3 7 A S T 3 S+ 0 0 86 2,-0.0 -1,-0.2 6,-0.0 2,-0.2 0.702 79.8 78.6 -77.2 -20.2 22.6 37.4 1.9 4 8 A D < - 0 0 19 -3,-1.1 2,-0.3 4,-0.1 150,-0.0 -0.620 55.1-170.2-111.3 155.0 20.1 38.4 4.7 5 9 A F >> + 0 0 19 -2,-0.2 4,-0.9 4,-0.0 3,-0.7 -0.814 42.8 0.0-130.3 165.7 18.1 41.5 5.6 6 10 A G H 3> S- 0 0 10 -2,-0.3 4,-1.1 1,-0.2 3,-0.4 -0.175 118.4 -11.7 62.3-142.9 15.9 43.1 8.3 7 11 A L H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 132.1 61.8 -61.2 -37.8 15.0 41.2 11.5 8 12 A M H <> S+ 0 0 17 -3,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.888 98.6 55.6 -58.8 -41.2 16.2 37.9 10.1 9 13 A W H < S+ 0 0 17 -4,-0.9 -1,-0.2 -3,-0.4 4,-0.2 0.882 110.0 46.9 -61.5 -41.1 19.8 39.3 9.9 10 14 A Y H >< S+ 0 0 9 -4,-1.1 3,-1.9 1,-0.2 4,-0.2 0.917 107.6 54.1 -67.6 -39.1 19.7 40.2 13.6 11 15 A L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.792 102.9 60.1 -67.5 -22.7 18.3 36.8 14.7 12 16 A E T 3< S+ 0 0 59 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.578 88.8 70.5 -79.4 -9.5 21.2 35.3 12.8 13 17 A E T < S+ 0 0 75 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.3 0.562 88.2 85.9 -77.3 -6.4 23.5 37.3 15.1 14 18 A L S < S- 0 0 5 -3,-1.2 63,-0.0 -4,-0.2 -3,-0.0 -0.781 76.3-133.6 -96.8 136.0 22.3 34.8 17.8 15 19 A K > - 0 0 166 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.157 41.4 -84.3 -73.6-179.9 23.9 31.4 18.4 16 20 A K H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.888 128.5 39.2 -53.5 -49.3 21.9 28.2 18.8 17 21 A E H > S+ 0 0 101 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.890 113.9 54.5 -73.5 -38.6 21.2 28.6 22.6 18 22 A E H > S+ 0 0 55 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.886 108.9 48.4 -59.5 -42.4 20.6 32.4 22.3 19 23 A F H X S+ 0 0 13 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.922 111.4 49.8 -63.5 -44.1 18.0 31.8 19.7 20 24 A R H X S+ 0 0 97 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.907 114.8 44.1 -59.8 -44.9 16.4 29.2 21.8 21 25 A K H X S+ 0 0 81 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.854 107.3 61.0 -68.4 -36.3 16.5 31.7 24.8 22 26 A F H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.905 104.0 48.6 -54.9 -47.3 15.3 34.5 22.6 23 27 A K H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.844 109.7 52.0 -63.1 -38.8 12.1 32.5 21.8 24 28 A E H X S+ 0 0 56 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.947 112.0 46.4 -65.6 -42.8 11.5 31.8 25.6 25 29 A H H X S+ 0 0 29 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.895 110.3 54.2 -62.6 -40.6 11.9 35.6 26.4 26 30 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.937 109.7 45.5 -58.1 -49.4 9.6 36.5 23.5 27 31 A K H X S+ 0 0 32 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.881 113.7 50.7 -64.6 -42.2 6.8 34.3 24.7 28 32 A Q H X S+ 0 0 87 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.924 114.8 42.6 -57.5 -51.5 7.2 35.5 28.3 29 33 A M H X S+ 0 0 22 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.911 109.1 54.4 -68.0 -43.2 7.1 39.2 27.3 30 34 A T H <>S+ 0 0 2 -4,-2.9 5,-2.0 -5,-0.2 4,-0.2 0.902 115.4 43.9 -58.6 -38.6 4.2 38.9 24.9 31 35 A L H ><5S+ 0 0 99 -4,-1.7 3,-0.8 -5,-0.2 -2,-0.2 0.917 112.4 52.4 -67.0 -47.3 2.4 37.3 27.8 32 36 A Q H 3<5S+ 0 0 133 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.907 116.3 36.4 -57.7 -46.2 3.6 39.9 30.3 33 37 A L T 3<5S- 0 0 86 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.395 114.4-120.2 -93.7 6.6 2.6 43.0 28.4 34 38 A E T < 5 + 0 0 169 -3,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.955 51.6 154.3 57.5 67.3 -0.6 41.1 27.1 35 39 A L < - 0 0 29 -5,-2.0 -1,-0.1 1,-0.1 24,-0.1 -0.713 59.9 -74.5-107.0 166.0 -0.6 41.0 23.3 36 40 A K - 0 0 131 -2,-0.2 2,-0.2 22,-0.1 -1,-0.1 -0.395 65.1-124.4 -60.4 133.6 -2.4 38.4 21.1 37 41 A Q - 0 0 62 -3,-0.1 -1,-0.1 -6,-0.0 -10,-0.0 -0.577 8.2-136.4 -87.1 150.1 -0.2 35.3 21.5 38 42 A I - 0 0 3 -2,-0.2 5,-0.1 -11,-0.0 -8,-0.0 -0.927 44.3 -98.0 -96.5 132.7 1.6 33.1 19.1 39 43 A P >> - 0 0 64 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.203 30.6-129.2 -47.3 124.1 1.2 29.4 19.9 40 44 A W H 3> S+ 0 0 87 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.800 107.1 59.4 -54.0 -31.3 4.3 28.4 21.8 41 45 A T H 3> S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.925 105.5 47.9 -63.6 -41.4 4.8 25.4 19.5 42 46 A E H <> S+ 0 0 67 -3,-0.9 4,-0.8 1,-0.2 -2,-0.2 0.913 114.9 45.6 -62.6 -46.2 5.0 27.7 16.4 43 47 A V H >< S+ 0 0 2 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.937 111.0 51.8 -61.9 -47.3 7.5 30.0 18.2 44 48 A K H 3< S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 115.0 40.4 -61.7 -38.3 9.7 27.2 19.5 45 49 A K H 3< S+ 0 0 163 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.541 88.9 118.7 -88.8 -13.0 10.1 25.4 16.1 46 50 A A << - 0 0 3 -4,-0.8 2,-0.1 -3,-0.8 -23,-0.1 -0.292 58.9-133.8 -65.1 138.2 10.5 28.5 14.0 47 51 A S > - 0 0 51 1,-0.1 4,-3.0 -2,-0.0 5,-0.2 -0.338 36.8 -96.6 -74.4 174.7 13.7 29.2 12.0 48 52 A R H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 127.4 45.0 -60.2 -44.9 15.2 32.6 12.2 49 53 A E H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 114.8 48.2 -67.8 -40.1 13.5 33.7 8.9 50 54 A E H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.897 111.9 49.0 -66.2 -39.6 10.2 32.1 10.0 51 55 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.941 108.6 53.4 -67.3 -44.0 10.3 33.8 13.4 52 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.895 113.0 44.3 -54.2 -44.9 11.1 37.2 11.9 53 57 A N H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.852 110.8 54.1 -69.2 -35.0 8.1 36.8 9.6 54 58 A L H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.929 109.6 49.2 -63.0 -44.1 5.9 35.5 12.6 55 59 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.967 115.8 40.7 -59.7 -51.1 6.8 38.6 14.5 56 60 A I H X S+ 0 0 8 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.828 114.2 53.7 -68.6 -36.2 6.0 41.0 11.7 57 61 A K H < S+ 0 0 161 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 117.4 35.7 -63.8 -43.7 2.9 39.1 10.7 58 62 A H H < S+ 0 0 37 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.801 135.4 19.1 -82.8 -27.0 1.5 39.2 14.3 59 63 A Y H X S- 0 0 14 -4,-2.4 4,-0.5 -5,-0.2 -3,-0.2 0.372 103.1-118.3-125.3 1.1 2.6 42.7 15.5 60 64 A E H X - 0 0 115 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.143 45.1 -65.6 60.7 170.0 3.4 44.6 12.2 61 65 A E H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.843 126.3 46.4 -61.5 -49.9 6.9 45.8 11.5 62 66 A Q H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 115.7 45.5 -64.1 -40.7 7.6 48.5 14.1 63 67 A Q H X S+ 0 0 78 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.863 108.2 56.9 -73.4 -33.1 6.4 46.5 17.0 64 68 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.868 111.8 43.9 -61.4 -39.4 8.3 43.4 15.9 65 69 A W H X S+ 0 0 8 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.929 113.8 48.8 -70.1 -49.1 11.5 45.4 16.0 66 70 A N H X S+ 0 0 58 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.911 114.1 47.0 -58.5 -41.3 10.7 47.1 19.3 67 71 A I H X S+ 0 0 6 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.928 113.0 49.1 -63.7 -47.0 9.8 43.8 20.9 68 72 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.909 110.8 49.0 -59.3 -45.4 13.0 42.2 19.4 69 73 A L H X S+ 0 0 17 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.819 108.3 54.9 -66.7 -31.9 15.3 45.0 20.7 70 74 A R H X S+ 0 0 147 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.899 108.9 48.1 -66.0 -42.6 13.7 44.8 24.2 71 75 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 6,-0.2 0.955 108.7 53.4 -63.8 -45.5 14.6 41.1 24.3 72 76 A F H <>S+ 0 0 0 -4,-2.4 5,-3.7 1,-0.2 -2,-0.2 0.900 108.9 49.0 -52.9 -47.1 18.2 41.7 23.1 73 77 A Q H ><5S+ 0 0 93 -4,-1.9 3,-0.9 1,-0.2 5,-0.2 0.899 113.2 49.0 -62.9 -36.3 18.7 44.2 25.9 74 78 A K H 3<5S+ 0 0 120 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.794 108.8 51.2 -71.4 -34.1 17.3 41.7 28.4 75 79 A M T 3<5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.208 121.4-104.7 -84.2 5.9 19.5 38.8 27.1 76 80 A D T < 5S+ 0 0 120 -3,-0.9 3,-0.3 -5,-0.2 -3,-0.2 0.816 85.4 128.8 67.4 30.4 22.6 40.9 27.5 77 81 A R >>< + 0 0 34 -5,-3.7 3,-1.5 -6,-0.2 4,-1.2 -0.268 18.4 141.5-105.2 47.8 22.8 41.5 23.7 78 82 A K H 3> + 0 0 109 1,-0.3 4,-2.6 -5,-0.2 5,-0.3 0.741 60.3 69.1 -62.4 -25.6 23.1 45.2 24.2 79 83 A D H 3> S+ 0 0 86 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.896 99.1 49.9 -60.2 -36.2 25.7 45.3 21.3 80 84 A L H <> S+ 0 0 3 -3,-1.5 4,-2.6 2,-0.2 5,-0.2 0.911 110.0 50.1 -71.4 -39.7 22.8 44.5 18.9 81 85 A C H X S+ 0 0 18 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.917 113.6 44.3 -62.0 -45.4 20.6 47.2 20.4 82 86 A M H X S+ 0 0 104 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.849 110.9 56.5 -68.6 -36.4 23.4 49.8 20.1 83 87 A K H X S+ 0 0 30 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.970 109.7 43.9 -59.6 -50.0 24.2 48.6 16.6 84 88 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.911 115.6 50.2 -59.9 -40.3 20.7 49.1 15.4 85 89 A M H X S+ 0 0 40 -4,-2.1 4,-1.2 1,-0.2 6,-0.3 0.859 105.8 52.2 -70.3 -39.7 20.6 52.5 17.1 86 90 A R H X>S+ 0 0 121 -4,-3.0 5,-2.1 2,-0.2 4,-2.0 0.913 115.1 46.1 -59.7 -36.0 23.8 53.8 15.7 87 91 A E H <5S+ 0 0 29 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.923 112.5 46.4 -70.5 -47.0 22.4 52.9 12.3 88 92 A R H <5S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.2 8,-0.2 0.674 118.7 45.2 -72.2 -13.8 18.9 54.4 12.7 89 93 A T H <5S- 0 0 80 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.809 108.0-117.6 -98.3 -38.6 20.5 57.5 14.1 90 94 A G T <5 0 0 67 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.626 360.0 360.0 100.2 24.1 23.4 58.2 11.7 91 95 A Y < 0 0 229 -5,-2.1 -4,-0.1 -6,-0.3 -5,-0.1 0.874 360.0 360.0 -83.8 360.0 26.1 57.8 14.3 92 !* 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 93 5 B F 0 0 214 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.1 9.0 56.0 19.5 94 6 B F + 0 0 176 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.692 360.0 33.8 -84.2 -20.1 11.9 58.2 18.6 95 7 B S S S- 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.999 72.9-138.0-135.0 149.8 13.4 56.2 15.8 96 8 B D - 0 0 34 -2,-0.4 2,-0.3 -8,-0.2 -2,-0.0 -0.543 21.2-146.9 -96.3 157.6 11.8 54.0 13.2 97 9 B F >> - 0 0 8 -2,-0.2 3,-0.8 4,-0.0 4,-0.7 -0.826 43.2 -4.7-128.2 164.8 13.1 50.6 12.1 98 10 B G H >> S- 0 0 1 -2,-0.3 4,-1.3 1,-0.2 3,-0.8 -0.145 119.3 -9.3 62.5-142.5 13.4 48.3 9.2 99 11 B L H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.855 131.5 61.3 -60.6 -37.7 11.7 49.1 5.8 100 12 B M H <> S+ 0 0 17 -3,-0.8 4,-1.3 1,-0.2 -1,-0.3 0.858 101.8 53.1 -59.2 -40.0 9.8 52.0 7.3 101 13 B W H << S+ 0 0 24 -3,-0.8 4,-0.4 -4,-0.7 -1,-0.2 0.917 109.1 48.2 -62.4 -41.9 13.1 53.7 8.1 102 14 B Y H >< S+ 0 0 1 -4,-1.3 3,-1.5 1,-0.2 -2,-0.2 0.923 109.2 52.9 -66.8 -39.2 14.3 53.4 4.5 103 15 B L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.804 101.5 61.2 -68.3 -23.2 11.1 54.7 3.1 104 16 B E T 3< S+ 0 0 75 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.602 89.7 68.9 -79.0 -9.6 11.5 57.7 5.4 105 17 B E T < S+ 0 0 70 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.3 0.547 88.3 86.4 -78.1 -5.8 14.7 58.5 3.6 106 18 B L S < S- 0 0 2 -3,-1.6 63,-0.0 -4,-0.2 -3,-0.0 -0.807 75.8-136.2 -96.4 135.2 12.5 59.4 0.5 107 19 B K > - 0 0 157 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.148 40.6 -84.5 -74.1-179.6 11.0 62.8 0.1 108 20 B K H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.918 130.5 41.5 -53.7 -47.2 7.4 63.3 -0.9 109 21 B E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 113.5 52.1 -71.9 -39.6 8.1 63.0 -4.6 110 22 B E H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.863 107.0 53.9 -61.2 -42.1 10.5 60.1 -4.2 111 23 B F H X S+ 0 0 14 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 108.8 49.8 -63.0 -43.8 7.9 58.2 -2.2 112 24 B R H X S+ 0 0 101 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.935 111.9 46.3 -60.0 -44.6 5.5 58.7 -5.0 113 25 B K H X S+ 0 0 88 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.874 105.7 61.5 -66.7 -34.8 7.9 57.4 -7.6 114 26 B F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.949 105.3 47.2 -55.1 -47.0 8.8 54.5 -5.3 115 27 B K H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.888 110.8 51.2 -62.2 -39.2 5.1 53.4 -5.6 116 28 B E H X S+ 0 0 92 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.924 111.1 47.9 -65.6 -42.3 5.1 53.8 -9.4 117 29 B H H X S+ 0 0 49 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.882 108.5 56.1 -62.3 -39.2 8.3 51.7 -9.8 118 30 B L H X S+ 0 0 4 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.928 109.0 45.6 -57.7 -48.5 6.8 49.1 -7.4 119 31 B K H X S+ 0 0 65 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.907 113.7 49.0 -63.3 -43.5 3.7 48.7 -9.7 120 32 B Q H X S+ 0 0 117 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.946 113.9 47.5 -58.4 -49.7 5.8 48.6 -12.8 121 33 B M H X S+ 0 0 17 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.941 110.0 49.5 -66.0 -44.3 8.0 46.0 -11.2 122 34 B T H <>S+ 0 0 5 -4,-3.2 5,-2.1 1,-0.2 4,-0.3 0.865 116.4 44.6 -60.8 -39.0 5.2 43.8 -9.9 123 35 B L H ><5S+ 0 0 92 -4,-2.2 3,-0.6 -5,-0.2 -2,-0.2 0.930 113.8 49.3 -67.4 -47.6 3.7 43.8 -13.4 124 36 B Q H 3<5S+ 0 0 155 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.945 121.0 33.3 -58.0 -48.0 6.9 43.3 -15.2 125 37 B L T 3<5S- 0 0 67 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.328 110.8-124.2 -93.2 3.0 8.1 40.3 -13.1 126 38 B E T < 5 + 0 0 169 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.910 49.1 156.3 54.6 65.6 4.5 39.1 -12.6 127 39 B L < - 0 0 41 -5,-2.1 -1,-0.2 1,-0.1 2,-0.0 -0.690 56.8 -76.0-107.3 167.3 3.9 38.8 -8.9 128 40 B K - 0 0 177 -2,-0.3 2,-0.2 22,-0.1 -1,-0.1 -0.361 59.5-124.9 -59.1 134.1 0.8 39.0 -7.0 129 41 B Q - 0 0 73 -3,-0.1 -1,-0.1 -6,-0.0 -10,-0.0 -0.524 4.4-133.7 -85.2 151.3 -0.2 42.6 -7.0 130 42 B I - 0 0 8 -2,-0.2 5,-0.1 1,-0.0 -8,-0.0 -0.910 51.8 -88.8 -94.9 133.7 -0.9 44.6 -3.9 131 43 B P >> - 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.283 34.2-137.0 -47.2 121.9 -4.1 46.5 -4.7 132 44 B W H 3> S+ 0 0 78 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.782 102.9 58.4 -56.4 -32.3 -3.0 49.7 -6.3 133 45 B T H 3> S+ 0 0 113 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.906 108.5 45.9 -63.6 -42.0 -5.5 51.7 -4.3 134 46 B E H <> S+ 0 0 64 -3,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.936 115.6 45.9 -64.1 -47.1 -3.9 50.4 -1.1 135 47 B V H >< S+ 0 0 3 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.931 110.5 51.9 -62.6 -47.0 -0.4 51.1 -2.3 136 48 B K H 3< S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.9 39.4 -62.4 -38.1 -1.1 54.6 -3.7 137 49 B K H 3< S+ 0 0 156 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.602 90.7 118.2 -88.5 -13.4 -2.6 55.9 -0.5 138 50 B A << - 0 0 2 -4,-1.1 -3,-0.0 -3,-0.5 -4,-0.0 -0.268 57.7-134.3 -65.0 138.7 -0.2 54.1 2.0 139 51 B S > - 0 0 55 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.197 38.5 -94.0 -73.6 174.2 2.0 56.0 4.4 140 52 B R H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.923 128.1 46.0 -61.1 -44.1 5.6 55.0 4.8 141 53 B E H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 114.0 49.1 -66.1 -39.6 4.8 52.7 7.7 142 54 B E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 109.8 50.1 -66.1 -39.9 1.8 51.2 5.9 143 55 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.957 108.2 53.2 -66.6 -44.0 3.7 50.5 2.7 144 56 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.948 112.9 45.0 -53.8 -44.9 6.5 48.8 4.6 145 57 B N H X S+ 0 0 11 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.855 110.5 53.2 -68.2 -35.2 3.9 46.6 6.2 146 58 B L H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.931 108.8 50.7 -62.8 -44.8 2.0 45.9 3.0 147 59 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.921 113.6 42.7 -59.5 -50.1 5.2 44.8 1.3 148 60 B I H X S+ 0 0 5 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.879 112.5 54.1 -68.8 -36.8 6.2 42.3 4.1 149 61 B K H < S+ 0 0 157 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.920 116.5 37.0 -62.7 -43.3 2.6 41.0 4.4 150 62 B H H < S+ 0 0 64 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.875 136.4 17.2 -81.3 -28.5 2.4 40.2 0.7 151 63 B Y H X S- 0 0 19 -4,-2.3 4,-0.5 -5,-0.2 -3,-0.2 0.377 102.4-120.7-124.9 -1.2 5.9 39.0 0.0 152 64 B E H X - 0 0 114 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.153 44.4 -66.8 59.3 169.1 7.4 38.2 3.5 153 65 B E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.843 125.9 47.1 -62.3 -50.2 10.5 40.0 4.8 154 66 B Q H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 117.8 43.1 -63.5 -41.0 13.4 38.9 2.6 155 67 B Q H X S+ 0 0 89 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.880 110.9 56.3 -73.6 -32.9 11.5 39.4 -0.7 156 68 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.913 110.6 45.3 -61.6 -39.4 10.1 42.7 0.6 157 69 B W H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.948 112.1 50.2 -69.4 -48.7 13.7 43.9 1.2 158 70 B N H X S+ 0 0 70 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.925 113.8 46.7 -56.7 -41.6 15.0 42.7 -2.1 159 71 B I H X S+ 0 0 4 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.933 112.3 48.9 -63.9 -47.3 12.1 44.4 -3.9 160 72 B T H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.902 112.4 48.0 -59.1 -45.2 12.6 47.7 -2.0 161 73 B L H X S+ 0 0 22 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.790 108.2 55.1 -66.6 -32.8 16.3 47.7 -2.7 162 74 B R H X S+ 0 0 135 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.906 108.2 48.7 -66.1 -42.5 15.8 47.0 -6.4 163 75 B I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.907 108.3 54.3 -63.0 -44.8 13.5 50.0 -6.7 164 76 B F H <>S+ 0 0 0 -4,-2.0 5,-3.6 1,-0.2 -1,-0.2 0.901 106.8 51.3 -53.0 -46.3 16.1 52.2 -4.9 165 77 B Q H ><5S+ 0 0 112 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.862 113.0 45.6 -62.0 -37.5 18.7 51.2 -7.4 166 78 B K H 3<5S+ 0 0 135 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.799 109.8 53.6 -72.9 -33.7 16.3 52.1 -10.3 167 79 B M T 3<5S- 0 0 29 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.342 118.6-113.3 -82.6 4.1 15.3 55.4 -8.6 168 80 B D T < 5S+ 0 0 123 -3,-0.6 3,-0.3 -5,-0.2 -3,-0.2 0.772 81.4 129.1 64.9 29.3 19.0 56.2 -8.4 169 81 B R >>< + 0 0 34 -5,-3.6 3,-1.4 -6,-0.2 4,-0.9 -0.344 18.4 142.1-102.1 47.8 18.9 56.0 -4.6 170 82 B K H 3> + 0 0 112 1,-0.3 4,-1.9 -5,-0.2 -1,-0.2 0.678 58.1 73.0 -62.8 -22.6 21.9 53.7 -4.7 171 83 B D H 3> S+ 0 0 80 -3,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.866 94.9 53.5 -58.2 -34.5 23.2 55.4 -1.6 172 84 B L H <> S+ 0 0 0 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.898 107.0 50.7 -69.9 -38.6 20.4 53.5 0.3 173 85 B C H X S+ 0 0 37 -4,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.859 111.5 47.8 -61.8 -42.0 21.6 50.2 -1.2 174 86 B M H X S+ 0 0 111 -4,-1.9 4,-2.7 2,-0.2 3,-0.4 0.909 107.1 57.8 -66.6 -37.1 25.2 51.0 -0.1 175 87 B K H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.911 102.4 53.3 -58.3 -47.0 23.9 51.9 3.4 176 88 B V H X S+ 0 0 5 -4,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.827 112.3 45.3 -57.6 -39.3 22.3 48.4 3.8 177 89 B M H X S+ 0 0 81 -4,-1.0 4,-1.2 -3,-0.4 -2,-0.2 0.893 110.2 53.0 -71.8 -40.9 25.7 46.8 3.0 178 90 B R H X S+ 0 0 152 -4,-2.7 4,-3.8 1,-0.2 -2,-0.2 0.897 107.3 54.5 -59.9 -34.6 27.6 49.2 5.3 179 91 B E H < S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.936 108.6 45.1 -68.7 -45.3 25.2 48.3 8.2 180 92 B R H < S+ 0 0 33 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.736 121.8 42.6 -71.9 -12.8 25.8 44.5 7.9 181 93 B T H < 0 0 87 -4,-1.2 -2,-0.2 -3,-0.1 -1,-0.2 0.864 360.0 360.0 -98.5 -40.3 29.5 45.3 7.7 182 94 B G < 0 0 85 -4,-3.8 -1,-0.1 -5,-0.2 -2,-0.1 -0.210 360.0 360.0 99.6 360.0 30.1 48.0 10.3