==== 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 TOXIN 10-APR-07 2PH4 . COMPND 2 MOLECULE: ZHAOERMIATOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ZHAOERMIA MANGSHANENSIS; . AUTHOR M.T.MURAKAMI,U.KUCH,D.MEBS,R.K.ARNI . 242 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 61.2 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 . 11 4.5 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 37.6 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+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 2 0 0 0 0 0 0 2 0 1 1 0 0 0 1 1 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 . 2 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 1 A S > 0 0 7 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 166.9 -33.0 5.5 -5.6 2 2 A L H > + 0 0 74 58,-1.8 4,-3.0 1,-0.2 5,-0.2 0.788 360.0 63.8 -56.5 -30.6 -33.2 6.8 -2.0 3 3 A I H > S+ 0 0 117 57,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.939 109.3 36.7 -55.5 -50.7 -33.4 3.1 -1.1 4 4 A E H > S+ 0 0 9 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.921 117.6 51.8 -74.5 -44.2 -29.9 2.4 -2.4 5 5 A L H X S+ 0 0 20 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.928 112.0 46.1 -52.3 -48.4 -28.6 5.8 -1.3 6 6 A T H X S+ 0 0 42 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.904 113.1 49.4 -68.9 -41.9 -29.9 5.2 2.3 7 7 A K H X S+ 0 0 126 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.941 113.2 47.2 -58.1 -51.1 -28.5 1.7 2.4 8 8 A M H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.882 111.9 48.3 -61.1 -41.7 -25.1 2.9 1.1 9 9 A V H X>S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 5,-0.6 0.926 114.8 47.8 -67.3 -40.2 -24.9 5.8 3.5 10 10 A F H X5S+ 0 0 105 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.959 112.2 49.8 -62.5 -41.0 -25.8 3.3 6.2 11 11 A Q H <5S+ 0 0 48 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 117.6 38.5 -63.0 -45.4 -23.2 0.8 4.9 12 12 A E H <5S+ 0 0 18 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.956 129.5 27.2 -69.1 -51.8 -20.4 3.3 4.8 13 13 A T H <5S- 0 0 15 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.778 85.0-142.7 -91.6 -34.5 -21.1 5.3 8.0 14 15 A G << + 0 0 47 -4,-2.7 2,-0.3 -5,-0.6 -4,-0.1 0.553 62.8 119.9 80.7 12.5 -23.0 2.7 10.1 15 16 A K S S- 0 0 80 -6,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 -0.700 81.6 -97.2-106.4 152.8 -25.2 5.5 11.3 16 17 A N > - 0 0 80 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.644 35.0-155.2 -62.1 117.4 -28.9 5.7 11.0 17 18 A P H > S+ 0 0 20 0, 0.0 4,-1.6 0, 0.0 5,-0.3 0.686 89.5 60.4 -77.0 -18.6 -29.1 8.0 7.8 18 19 A V H > S+ 0 0 61 3,-0.2 4,-1.0 2,-0.2 5,-0.3 0.917 114.6 32.1 -69.5 -49.1 -32.5 9.1 8.8 19 20 A T H 4 S+ 0 0 73 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.904 128.5 39.9 -78.7 -37.7 -31.4 10.6 12.2 20 21 A Y H < S+ 0 0 31 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.809 131.7 15.9 -75.9 -34.3 -27.9 11.6 11.0 21 22 A Y H < S+ 0 0 15 -4,-1.6 3,-0.4 -5,-0.2 -3,-0.2 0.458 91.2 91.7-135.7 -2.1 -28.6 12.9 7.5 22 23 A T S < S+ 0 0 31 -4,-1.0 2,-0.4 1,-0.3 -3,-0.1 0.936 112.3 13.4 -57.9 -39.0 -32.2 13.6 7.0 23 24 A L S S+ 0 0 28 -5,-0.3 2,-0.3 -4,-0.3 -1,-0.3 -0.902 82.3 141.4-145.3 107.2 -31.4 17.1 8.2 24 25 A Y B >> -A 28 0A 1 4,-1.7 4,-1.9 -2,-0.4 3,-0.6 -0.960 62.8 -41.3-147.8 129.8 -27.8 18.2 8.5 25 26 A G T 34 S- 0 0 0 82,-2.6 -1,-0.1 -2,-0.3 8,-0.1 -0.102 101.3 -45.8 50.7-140.6 -26.3 21.6 7.7 26 27 A a T 34 S+ 0 0 0 9,-0.2 -1,-0.2 8,-0.1 89,-0.1 0.545 134.4 34.4-104.9 -8.3 -27.4 23.4 4.5 27 28 A N T <4 S+ 0 0 3 -3,-0.6 2,-0.6 6,-0.1 5,-0.2 0.654 85.5 92.6-120.9 -21.1 -27.3 20.5 2.1 28 29 A b B < S+A 24 0A 1 -4,-1.9 -4,-1.7 3,-0.1 2,-0.1 -0.756 83.0 16.7 -87.2 120.9 -28.2 17.1 3.6 29 30 A G S > S- 0 0 21 -2,-0.6 3,-1.5 -6,-0.2 -7,-0.1 -0.082 103.1 -39.9 103.3 160.0 -31.8 16.2 3.3 30 31 A V T 3 S+ 0 0 54 1,-0.2 3,-0.1 -8,-0.1 -2,-0.1 -0.115 120.1 6.8 -62.5 143.0 -34.7 17.4 1.2 31 32 A G T 3 S+ 0 0 1 1,-0.2 2,-0.5 200,-0.1 202,-0.4 0.560 91.0 131.9 67.6 11.5 -35.1 21.0 0.5 32 33 A R < + 0 0 8 -3,-1.5 2,-0.3 -5,-0.2 -1,-0.2 -0.862 23.3 160.8 -95.6 131.2 -31.9 22.1 2.1 33 34 A R + 0 0 70 -2,-0.5 2,-0.2 -3,-0.1 -6,-0.1 -0.973 18.4 96.1-141.0 146.3 -29.6 24.4 0.1 34 35 A G S S- 0 0 0 -2,-0.3 85,-0.3 85,-0.2 83,-0.2 -0.745 76.0 -45.9 155.7 170.0 -26.8 26.7 1.3 35 36 A K S S- 0 0 86 81,-1.6 81,-0.3 -2,-0.2 -9,-0.2 -0.417 73.1-102.5 -61.1 127.2 -23.0 27.1 1.7 36 37 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.233 25.8-151.8 -57.4 137.3 -21.9 23.8 3.2 37 38 A K S S- 0 0 59 1,-0.1 2,-0.3 -3,-0.1 -12,-0.1 0.693 71.0 -17.9 -84.3 -22.3 -21.2 24.4 6.9 38 39 A D S > S- 0 0 31 1,-0.1 4,-2.6 66,-0.0 5,-0.1 -0.901 87.3 -69.7-168.3-170.1 -18.6 21.7 7.1 39 40 A A H > S+ 0 0 36 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.879 126.7 50.5 -68.4 -40.9 -17.3 18.6 5.3 40 41 A T H > S+ 0 0 0 59,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.911 113.0 47.0 -57.6 -53.2 -20.3 16.4 6.0 41 42 A D H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.899 110.8 52.7 -50.6 -48.6 -22.6 19.1 4.7 42 43 A R H X S+ 0 0 85 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.830 100.6 61.6 -61.5 -37.3 -20.3 19.5 1.7 43 44 A c H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.913 107.1 46.1 -49.0 -44.6 -20.6 15.7 1.1 44 45 A b H X S+ 0 0 10 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.848 111.0 50.5 -70.8 -38.8 -24.2 16.4 0.6 45 46 A F H X S+ 0 0 17 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.938 110.7 49.4 -62.1 -50.5 -23.7 19.3 -1.6 46 47 A V H X S+ 0 0 78 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.874 109.4 54.1 -56.9 -38.3 -21.3 17.4 -3.8 47 48 A H H X S+ 0 0 20 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.943 109.1 45.6 -63.1 -49.2 -23.9 14.6 -3.9 48 49 A R H X S+ 0 0 43 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.888 112.6 52.2 -59.7 -40.5 -26.6 17.0 -5.2 49 50 A d H X S+ 0 0 11 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.868 108.8 52.1 -56.6 -38.8 -24.0 18.4 -7.7 50 51 A e H >X S+ 0 0 34 -4,-2.2 4,-0.6 -5,-0.2 3,-0.5 0.963 111.0 44.2 -61.2 -53.7 -23.5 14.9 -8.7 51 52 A Y H >< S+ 0 0 35 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.835 107.1 63.1 -54.6 -36.3 -27.2 14.3 -9.3 52 53 A K H 3< S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.894 100.9 51.1 -63.7 -35.7 -27.3 17.6 -11.0 53 57 A K H << S+ 0 0 160 -4,-1.5 -1,-0.3 -3,-0.5 2,-0.2 0.611 87.9 105.5 -75.2 -13.5 -24.9 16.3 -13.7 54 58 A L << - 0 0 17 -3,-1.1 2,-0.5 -4,-0.6 27,-0.0 -0.475 46.4-175.7 -75.6 135.1 -26.9 13.2 -14.4 55 59 A T + 0 0 114 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.991 63.0 32.1-128.7 122.5 -29.0 13.1 -17.6 56 60 A G S S+ 0 0 77 -2,-0.5 2,-0.3 1,-0.3 25,-0.1 0.438 105.4 47.8 121.8 -2.3 -31.2 10.2 -18.3 57 61 A f S S- 0 0 30 24,-0.1 -1,-0.3 -3,-0.0 3,-0.1 -0.956 75.4-104.2-159.9 176.2 -32.5 8.9 -15.0 58 67 A D > - 0 0 56 -2,-0.3 4,-2.0 1,-0.1 -3,-0.0 -0.910 15.4-158.1-116.2 113.4 -34.0 9.9 -11.7 59 68 A P T 4 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 0.820 93.9 45.6 -64.2 -28.1 -31.8 9.9 -8.7 60 69 A K T 4 S+ 0 0 138 -59,-0.2 -58,-1.8 1,-0.1 -57,-0.4 0.949 124.7 24.4 -73.2 -50.0 -34.8 9.6 -6.3 61 70 A K T 4 S+ 0 0 152 -60,-0.2 2,-0.4 -59,-0.1 -1,-0.1 0.787 91.1 97.6 -91.2 -35.5 -36.8 6.8 -8.0 62 71 A D < - 0 0 54 -4,-2.0 2,-0.1 1,-0.1 -5,-0.0 -0.473 60.2-146.9 -82.7 115.4 -34.6 4.7 -10.1 63 72 A R - 0 0 167 -2,-0.4 2,-0.3 -60,-0.1 -1,-0.1 -0.349 22.9-177.2 -68.7 154.5 -33.4 1.4 -8.5 64 73 A Y - 0 0 3 -63,-0.1 2,-0.6 2,-0.1 12,-0.1 -0.981 25.4-102.3-154.5 169.0 -30.0 0.3 -9.5 65 74 A S + 0 0 55 -2,-0.3 12,-1.7 10,-0.1 2,-0.3 -0.775 43.8 148.1-104.1 120.8 -27.7 -2.5 -8.9 66 75 A Y - 0 0 39 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.979 25.8-149.9-140.4 163.5 -24.8 -2.4 -6.6 67 76 A S E -B 74 0B 35 7,-2.3 7,-2.9 -2,-0.3 2,-0.6 -0.821 16.3-132.7-122.9 162.2 -23.1 -4.9 -4.4 68 77 A W E +B 73 0B 88 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.985 35.9 174.9-116.4 103.7 -21.2 -4.6 -1.2 69 78 A E E > -B 72 0B 104 3,-2.5 3,-0.7 -2,-0.6 -2,-0.1 -0.994 69.1 -9.9-122.7 123.6 -18.1 -6.6 -1.9 70 79 A N T 3 S- 0 0 163 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.863 127.7 -62.0 50.6 41.9 -15.4 -6.6 0.7 71 80 A K T 3 S+ 0 0 165 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.861 117.0 106.7 52.3 44.1 -17.3 -3.9 2.6 72 81 A A E < S-B 69 0B 43 -3,-0.7 -3,-2.5 2,-0.0 2,-0.2 -0.967 74.8-111.0-140.8 147.0 -17.0 -1.5 -0.3 73 82 A I E -B 68 0B 1 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.577 27.9-164.8 -81.2 141.4 -19.8 -0.5 -2.7 74 83 A V E -B 67 0B 51 -7,-2.9 -7,-2.3 -2,-0.2 2,-2.2 -0.970 15.5-146.6-129.5 118.3 -19.5 -1.6 -6.2 75 84 A g + 0 0 6 -2,-0.5 -9,-0.2 -9,-0.2 12,-0.1 -0.505 29.8 165.7 -82.2 72.1 -21.7 -0.0 -8.7 76 85 A G + 0 0 56 -2,-2.2 -1,-0.2 -9,-0.1 -10,-0.2 0.637 29.5 131.8 -62.3 -15.3 -22.1 -3.1 -10.8 77 86 A E - 0 0 25 -12,-1.7 -2,-0.1 -3,-0.1 -13,-0.0 -0.156 43.8-162.7 -39.6 124.1 -25.0 -1.3 -12.5 78 87 A K + 0 0 205 5,-0.0 -1,-0.1 4,-0.0 5,-0.1 0.837 63.4 92.2 -79.3 -41.3 -24.5 -1.7 -16.4 79 88 A N S > S- 0 0 70 1,-0.1 4,-2.2 2,-0.1 5,-0.2 -0.404 78.8-134.4 -76.3 128.5 -26.8 1.0 -17.5 80 90 A P H > S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.865 96.3 39.7 -75.6 -37.2 -24.7 4.1 -17.8 81 91 A f H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 115.8 51.4 -71.8 -41.6 -27.0 6.8 -16.0 82 92 A L H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.828 110.0 50.2 -66.8 -29.3 -28.0 4.4 -13.3 83 93 A K H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.882 110.2 49.5 -76.6 -36.6 -24.3 3.6 -12.6 84 94 A E H X S+ 0 0 87 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.881 111.6 48.9 -59.9 -41.2 -23.4 7.3 -12.5 85 95 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 110.7 51.5 -70.4 -38.9 -26.3 7.7 -10.1 86 96 A g H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.889 108.2 51.3 -58.6 -42.5 -24.9 4.8 -8.2 87 97 A E H X S+ 0 0 71 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.805 107.8 52.6 -66.5 -31.3 -21.5 6.4 -8.1 88 98 A e H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.895 114.9 41.4 -65.7 -46.3 -22.9 9.7 -6.8 89 99 A D H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.855 114.1 52.0 -71.4 -37.7 -24.6 7.8 -4.0 90 100 A K H X S+ 0 0 49 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.912 110.8 49.7 -65.6 -40.7 -21.6 5.7 -3.5 91 101 A A H X S+ 0 0 52 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.864 110.2 47.5 -64.8 -43.4 -19.4 8.8 -3.2 92 102 A V H X S+ 0 0 7 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.891 110.1 53.5 -66.8 -37.7 -21.6 10.6 -0.7 93 103 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.943 113.6 43.0 -62.1 -44.5 -21.8 7.5 1.5 94 104 A I H X S+ 0 0 48 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.900 114.3 51.2 -65.8 -44.8 -18.0 7.3 1.4 95 105 A c H X S+ 0 0 38 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.909 109.8 48.9 -61.7 -42.1 -17.7 11.0 2.0 96 106 A L H X S+ 0 0 4 -4,-3.4 4,-0.7 2,-0.2 3,-0.4 0.967 113.3 46.7 -66.9 -45.5 -20.1 11.0 4.9 97 107 A R H >< S+ 0 0 89 -4,-2.5 3,-1.7 -5,-0.3 4,-0.3 0.963 110.9 52.7 -57.8 -48.6 -18.2 8.1 6.5 98 108 A K H >< S+ 0 0 146 -4,-2.9 3,-0.6 1,-0.3 -1,-0.2 0.828 113.4 44.9 -56.4 -29.6 -14.9 9.8 5.9 99 109 A N H >< S+ 0 0 40 -4,-1.7 3,-1.4 -3,-0.4 4,-0.4 0.351 74.6 103.1-107.5 7.0 -16.1 13.0 7.6 100 110 A L G X< S+ 0 0 47 -3,-1.7 3,-1.1 -4,-0.7 -1,-0.2 0.804 71.1 74.8 -52.2 -28.3 -17.7 11.4 10.5 101 111 A G G < S+ 0 0 77 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.896 109.4 27.0 -51.4 -40.3 -14.5 12.7 12.3 102 112 A T G < S+ 0 0 85 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.270 86.3 140.9-112.1 12.2 -15.9 16.2 12.1 103 113 A Y < - 0 0 30 -3,-1.1 2,-0.6 -4,-0.4 3,-0.1 -0.327 36.8-157.0 -59.3 136.5 -19.6 15.5 12.2 104 114 A D > - 0 0 60 1,-0.1 3,-1.8 -2,-0.0 4,-0.1 -0.951 16.7-157.8-125.4 107.4 -21.3 18.0 14.3 105 115 A K G > S+ 0 0 112 -2,-0.6 3,-1.7 1,-0.3 4,-0.3 0.743 90.2 75.4 -55.1 -25.5 -24.7 17.1 15.8 106 116 A N G > S+ 0 0 88 1,-0.3 3,-1.9 2,-0.1 -1,-0.3 0.899 83.9 65.0 -52.3 -36.4 -25.3 20.8 16.1 107 117 A Y G < S+ 0 0 47 -3,-1.8 -82,-2.6 1,-0.3 -1,-0.3 0.482 84.3 74.8 -74.4 4.2 -25.9 21.0 12.3 108 118 A R G < S+ 0 0 49 -3,-1.7 2,-1.1 -84,-0.2 -1,-0.3 0.662 77.8 82.4 -82.7 -16.7 -29.0 18.9 12.6 109 119 A F X - 0 0 92 -3,-1.9 3,-3.4 -4,-0.3 4,-0.4 -0.691 66.4-158.8-100.2 92.5 -31.0 21.7 14.1 110 120 A T G > S+ 0 0 12 -2,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.761 91.3 46.6 -31.6 -54.5 -32.3 24.0 11.3 111 121 A M G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.540 96.8 76.0 -76.0 -5.4 -32.9 27.1 13.6 112 122 A K G < S+ 0 0 119 -3,-3.4 2,-0.3 -6,-0.2 -1,-0.3 0.582 105.2 15.7 -79.9 -10.4 -29.4 26.7 15.3 113 123 A F S < S- 0 0 32 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.0 -0.974 75.1-109.6-156.0 166.0 -27.5 28.1 12.3 114 125 A L - 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0 0 72 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.572 38.2-161.0 -59.2 111.9 -42.2 8.9 3.5 139 18 B P H > S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.790 83.6 59.9 -70.5 -27.8 -42.9 11.0 6.6 140 19 B V H > S+ 0 0 24 2,-0.2 4,-0.8 1,-0.2 5,-0.2 0.920 115.1 31.0 -74.1 -38.2 -39.4 11.8 7.1 141 20 B T H 4 S+ 0 0 24 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.846 123.6 47.7 -85.6 -33.0 -38.9 13.4 3.8 142 21 B Y H < S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.901 128.9 17.8 -68.0 -38.7 -42.5 14.8 3.5 143 22 B Y H < S+ 0 0 24 -4,-2.3 3,-0.3 -5,-0.2 -3,-0.2 0.216 90.2 95.6-129.7 12.6 -42.7 16.3 6.9 144 23 B T S < S+ 0 0 33 -4,-0.8 8,-0.4 1,-0.4 2,-0.4 0.927 111.4 4.9 -70.7 -45.0 -39.4 16.7 8.5 145 24 B L S S+ 0 0 5 -4,-0.3 -1,-0.4 -5,-0.2 2,-0.3 -0.957 84.7 146.9-136.8 119.4 -39.4 20.3 7.4 146 25 B Y B >> -C 150 0C 0 4,-2.9 4,-2.3 -2,-0.4 3,-0.5 -0.932 58.3 -36.4-154.2 130.9 -42.5 21.6 5.7 147 26 B G T 34 S- 0 0 0 82,-2.9 -1,-0.1 -2,-0.3 8,-0.1 -0.175 102.0 -46.3 62.0-145.7 -44.0 25.0 5.7 148 27 B h T 34 S+ 0 0 0 9,-0.2 -1,-0.2 8,-0.1 9,-0.1 0.644 136.2 31.5 -99.6 -14.3 -43.9 27.0 8.8 149 28 B N T <4 S+ 0 0 2 -3,-0.5 2,-0.9 6,-0.1 -2,-0.2 0.407 88.9 93.9-123.4 -13.2 -44.9 24.4 11.3 150 29 B i B < S+C 146 0C 2 -4,-2.3 -4,-2.9 5,-0.0 2,-0.1 -0.856 79.7 34.4 -92.7 113.5 -43.8 21.0 10.1 151 30 B G S > S- 0 0 14 -2,-0.9 3,-1.0 -6,-0.2 -6,-0.2 -0.372 94.7 -76.7 126.6 159.8 -40.5 20.3 11.7 152 31 B V T 3 S+ 0 0 129 -8,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.869 120.7 41.0 -59.5 -47.4 -38.6 20.8 14.9 153 32 B G T 3 S+ 0 0 33 -3,-0.1 2,-0.3 1,-0.0 -1,-0.3 0.808 96.3 117.4 -62.5 -16.4 -37.5 24.4 14.5 154 33 B R < + 0 0 15 -3,-1.0 2,-0.3 -8,-0.0 -3,-0.1 -0.399 21.2 138.6-108.4 123.0 -40.7 25.6 13.2 155 34 B R + 0 0 114 -2,-0.3 2,-0.2 -5,-0.1 -6,-0.1 -0.973 28.3 111.3-137.1 145.5 -43.4 28.0 14.0 156 35 B G S S- 0 0 0 -2,-0.3 85,-0.4 85,-0.1 83,-0.3 -0.727 72.2 -52.4 164.4 158.6 -45.2 30.4 11.8 157 36 B K S S- 0 0 114 81,-1.8 81,-0.3 82,-0.4 -9,-0.2 -0.239 73.0 -98.5 -46.6 129.1 -48.6 31.1 10.2 158 37 B P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.242 28.5-156.5 -55.4 135.3 -49.6 27.9 8.3 159 38 B K - 0 0 65 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.784 69.0 -18.3 -76.2 -32.9 -48.8 28.1 4.7 160 39 B D S > S- 0 0 31 1,-0.1 4,-2.8 66,-0.0 5,-0.2 -0.893 84.7 -71.3-164.1-176.2 -51.3 25.5 3.7 161 40 B A H > S+ 0 0 33 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.920 127.9 49.7 -63.2 -46.8 -53.5 22.8 4.9 162 41 B T H > S+ 0 0 0 59,-0.3 4,-1.4 1,-0.2 3,-0.3 0.928 111.9 47.9 -51.0 -53.4 -50.6 20.4 5.4 163 42 B D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 109.3 55.4 -56.5 -42.3 -48.7 23.0 7.3 164 43 B R H X S+ 0 0 94 -4,-2.8 4,-3.3 1,-0.2 5,-0.3 0.837 99.8 59.5 -61.0 -32.9 -51.9 23.6 9.3 165 44 B j H X S+ 0 0 1 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.939 107.1 46.6 -63.3 -41.0 -52.0 20.0 10.2 166 45 B i H X S+ 0 0 14 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.860 111.2 51.5 -68.0 -42.8 -48.6 20.3 11.9 167 46 B F H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.966 111.8 46.9 -50.6 -50.9 -49.7 23.5 13.6 168 47 B V H X S+ 0 0 72 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.901 113.6 50.0 -62.3 -37.2 -52.8 21.7 14.9 169 48 B H H X S+ 0 0 22 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.908 109.0 49.2 -73.5 -42.2 -50.6 18.8 16.0 170 49 B R H X S+ 0 0 42 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.958 111.6 50.7 -57.3 -51.3 -48.1 21.0 17.8 171 50 B k H X S+ 0 0 10 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.903 107.8 54.6 -47.7 -44.5 -51.1 22.7 19.6 172 51 B l H >< S+ 0 0 28 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.903 105.3 51.5 -57.9 -46.3 -52.3 19.3 20.5 173 52 B Y H >< S+ 0 0 40 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.887 102.5 61.0 -58.0 -40.5 -49.0 18.4 22.0 174 53 B K H 3< S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 96.2 60.0 -57.3 -32.6 -49.2 21.5 24.1 175 57 B K T << S+ 0 0 151 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.622 87.9 103.0 -70.9 -10.9 -52.4 20.3 25.7 176 58 B L < - 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