==== 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 HYDROLASE 24-JUN-08 3DKE . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.J.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9237.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 69.5 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 . 10 6.1 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 1.2 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 1 1 2 0 0 1 1 1 0 0 0 0 0 0 1 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 . 1 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 . 0 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 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 X X 0 0 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 133.4 42.9 -1.7 9.0 2 2 X N > - 0 0 70 95,-0.0 4,-2.6 156,-0.0 5,-0.2 -0.865 360.0 -81.8-148.1 176.2 39.6 -0.8 10.7 3 3 X I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.834 126.0 52.4 -58.5 -37.0 37.6 2.4 11.2 4 4 X F H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 112.9 43.5 -65.3 -46.9 39.7 3.6 14.2 5 5 X E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 114.6 51.8 -64.4 -38.8 43.0 3.2 12.3 6 6 X X H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.949 113.1 42.0 -64.0 -51.5 41.4 4.8 9.2 7 7 X L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.854 109.8 59.0 -67.3 -31.8 40.1 7.9 10.9 8 8 X R H X S+ 0 0 105 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.918 109.0 45.3 -61.7 -42.0 43.4 8.2 12.9 9 9 X I H < S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.945 117.9 42.9 -61.9 -48.8 45.2 8.5 9.6 10 10 X D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.817 124.0 34.3 -71.7 -30.7 42.7 10.9 8.2 11 11 X E H < S- 0 0 35 -4,-2.8 19,-0.5 -5,-0.2 -1,-0.2 0.685 92.7-152.1 -98.7 -22.6 42.3 13.1 11.3 12 12 X G < - 0 0 22 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.1 -0.162 22.1 -89.2 72.7-175.9 45.8 13.0 12.9 13 13 X L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.964 44.1 167.0-139.1 119.4 46.5 13.4 16.6 14 14 X R E -A 28 0A 141 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.999 21.9-161.8-135.4 135.3 47.1 16.7 18.3 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.442 75.4 60.0 -99.1 -1.9 47.1 17.3 22.1 16 16 X K E S-C 57 0B 143 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.927 100.8 -86.4-121.8 149.8 46.6 21.1 22.0 17 17 X I E + 0 0 31 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.280 57.9 165.4 -53.8 133.8 43.7 23.0 20.5 18 18 X Y E -A 26 0A 27 8,-2.6 8,-2.9 6,-0.1 2,-0.5 -0.899 39.0 -97.6-142.8 170.5 44.3 23.7 16.8 19 19 X K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.844 35.7-141.3 -97.7 131.7 42.3 24.8 13.8 20 20 X D > - 0 0 46 4,-2.6 3,-1.9 -2,-0.5 -1,-0.1 0.044 42.6 -76.2 -75.4-170.7 40.9 22.2 11.4 21 21 X T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.721 135.0 48.5 -64.6 -22.9 40.7 22.4 7.6 22 22 X E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.332 123.3-103.4 -96.2 3.2 37.7 24.7 7.9 23 23 X G S < S+ 0 0 39 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.618 75.8 139.5 84.8 15.7 39.4 27.0 10.5 24 24 X Y - 0 0 78 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.767 61.2-101.4-101.4 137.8 37.5 25.6 13.5 25 25 X Y E +A 19 0A 37 11,-0.4 8,-2.8 9,-0.4 9,-1.3 -0.317 54.7 159.8 -58.8 128.6 38.9 24.8 16.9 26 26 X T E -AB 18 32A 2 -8,-2.9 -8,-2.6 6,-0.3 2,-0.3 -0.888 18.3-170.5-145.3 161.1 39.5 21.1 17.3 27 27 X I E > + B 0 31A 0 4,-1.8 4,-2.2 -2,-0.3 2,-0.2 -0.971 51.1 8.5-151.2 167.5 41.6 18.8 19.4 28 28 X G E 4 S-A 14 0A 1 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.425 122.3 -10.9 72.6-129.7 42.7 15.1 19.7 29 29 X I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.762 128.9 -47.7-109.4 77.3 41.7 12.9 16.7 30 30 X G T 4 S+ 0 0 12 -2,-0.8 2,-1.2 -19,-0.5 -2,-0.2 0.768 84.3 159.8 67.9 27.0 39.4 15.2 14.8 31 31 X H E < -B 27 0A 31 -4,-2.2 -4,-1.8 -20,-0.1 -1,-0.2 -0.708 31.3-148.3 -84.9 98.7 37.3 16.2 17.9 32 32 X L E -B 26 0A 71 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.473 15.2-174.1 -63.3 129.8 35.6 19.5 16.8 33 33 X L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.866 57.4 -32.3 -93.4 -45.8 35.1 21.8 19.8 34 34 X T - 0 0 33 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.970 34.7-131.2-168.3 157.1 33.1 24.7 18.3 35 35 X K S S+ 0 0 99 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.436 76.0 113.3 -92.9 -2.8 32.6 26.7 15.2 36 36 X S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.397 70.4-136.9 -65.8 141.1 32.9 29.9 17.3 37 37 X P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.510 76.9 105.8 -75.1 -0.9 35.9 32.1 16.6 38 38 X S > - 0 0 50 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.698 55.6-164.3 -84.4 114.0 36.4 32.4 20.4 39 39 X L H > S+ 0 0 68 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.869 93.5 57.3 -60.5 -36.5 39.3 30.4 21.8 40 40 X N H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 105.1 49.9 -61.5 -41.2 37.8 30.8 25.2 41 41 X A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 111.0 50.1 -62.2 -41.0 34.5 29.2 24.0 42 42 X A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.902 108.9 51.1 -63.2 -42.9 36.6 26.4 22.6 43 43 X K H X S+ 0 0 50 -4,-2.6 4,-2.5 2,-0.2 11,-0.3 0.884 108.9 51.9 -62.2 -38.5 38.4 25.9 25.9 44 44 X S H X S+ 0 0 69 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.924 108.8 49.6 -63.7 -45.4 35.1 25.8 27.7 45 45 X E H X S+ 0 0 69 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.892 110.6 51.7 -58.6 -39.8 33.8 23.1 25.4 46 46 X L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.936 108.5 49.3 -63.7 -47.4 37.0 21.1 25.9 47 47 X D H X>S+ 0 0 40 -4,-2.5 4,-2.7 1,-0.2 5,-0.7 0.906 111.3 50.7 -57.0 -43.0 36.7 21.3 29.7 48 48 X K H <5S+ 0 0 140 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.9 47.3 -60.7 -42.5 33.1 20.1 29.4 49 49 X A H <5S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 120.6 35.7 -68.5 -38.0 34.1 17.2 27.2 50 50 X I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.758 101.9-126.7 -89.7 -29.8 37.0 16.1 29.5 51 51 X G T <5S+ 0 0 68 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.667 77.6 69.8 88.9 19.8 35.4 16.9 32.8 52 52 X R S - 0 0 10 -2,-0.9 3,-1.5 -11,-0.3 -1,-0.2 0.653 31.1-147.3 -94.6 -21.8 42.3 21.6 30.7 55 55 X N T 3 S- 0 0 108 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.792 74.7 -54.6 44.6 35.7 43.4 25.1 29.6 56 56 X G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.530 116.8 99.4 88.0 7.2 43.5 23.7 26.0 57 57 X V B < +C 16 0B 71 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.987 42.8 175.8-129.1 136.8 45.8 20.7 26.5 58 58 X I - 0 0 6 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.841 28.2-107.9-130.5 169.7 44.9 17.0 26.9 59 59 X T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.514 33.1-109.5 -90.4 165.1 46.7 13.7 27.2 60 60 X K H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.906 120.9 53.9 -59.2 -42.5 46.8 11.0 24.6 61 61 X D H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 109.3 48.5 -58.8 -42.7 44.5 8.8 26.7 62 62 X E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.908 110.5 50.8 -64.0 -42.6 42.0 11.6 26.9 63 63 X A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.910 110.7 49.2 -59.9 -44.1 42.2 12.2 23.1 64 64 X E H X S+ 0 0 80 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.850 108.0 54.7 -67.1 -32.5 41.6 8.5 22.5 65 65 X K H X S+ 0 0 131 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.941 109.2 46.0 -65.3 -47.6 38.6 8.5 24.9 66 66 X L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.898 111.7 54.1 -59.3 -39.6 36.9 11.4 22.9 67 67 X F H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.923 106.8 49.7 -62.6 -45.2 37.7 9.5 19.7 68 68 X N H X S+ 0 0 87 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.916 113.6 47.2 -57.4 -46.0 36.0 6.3 20.9 69 69 X Q H X S+ 0 0 95 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.908 112.1 49.7 -61.6 -43.6 33.0 8.4 21.9 70 70 X D H X S+ 0 0 38 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.887 112.1 46.4 -67.6 -41.0 32.9 10.2 18.6 71 71 X V H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.944 114.1 49.1 -64.0 -47.7 33.2 7.0 16.5 72 72 X D H X S+ 0 0 97 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.933 112.1 47.9 -56.7 -48.5 30.4 5.3 18.6 73 73 X A H X S+ 0 0 60 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.861 108.9 54.2 -64.3 -36.8 28.1 8.4 18.3 74 74 X A H X S+ 0 0 13 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.942 112.1 44.1 -60.5 -47.5 28.7 8.5 14.5 75 75 X V H X S+ 0 0 31 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 113.5 49.7 -63.1 -48.4 27.7 4.9 14.1 76 76 X R H X S+ 0 0 138 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.886 109.0 53.6 -60.7 -37.8 24.7 5.2 16.4 77 77 X G H X S+ 0 0 29 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.894 107.1 51.4 -61.9 -42.3 23.6 8.3 14.5 78 78 X I H >< S+ 0 0 2 -4,-1.9 3,-1.2 1,-0.2 7,-0.3 0.938 110.1 48.8 -58.0 -48.2 23.6 6.4 11.2 79 79 X L H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.789 110.0 51.6 -68.0 -26.7 21.5 3.6 12.6 80 80 X R H 3< S+ 0 0 177 -4,-1.6 2,-0.8 -5,-0.2 -1,-0.3 0.533 88.5 92.9 -85.6 -7.4 19.0 6.1 14.0 81 81 X N S+ 0 0 181 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.823 119.0 43.9 -84.5 -35.7 16.9 7.0 5.4 84 84 X L H > S+ 0 0 18 1,-0.2 4,-2.5 -6,-0.2 3,-0.4 0.816 98.6 71.0 -82.1 -33.4 20.6 6.4 6.0 85 85 X K H X S+ 0 0 86 -4,-2.9 4,-3.1 -7,-0.3 5,-0.2 0.899 95.6 52.1 -52.0 -48.5 20.3 3.1 7.9 86 86 X P H > S+ 0 0 55 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.880 110.5 48.8 -59.0 -36.4 19.2 1.0 4.8 87 87 X V H X S+ 0 0 10 -4,-0.5 4,-0.6 -3,-0.4 3,-0.5 0.963 113.7 46.1 -65.4 -49.4 22.2 2.3 2.8 88 88 X Y H >< S+ 0 0 30 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.922 111.0 52.5 -57.7 -46.2 24.6 1.4 5.6 89 89 X D H 3< S+ 0 0 66 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 103.4 59.3 -62.5 -26.7 23.0 -2.0 6.2 90 90 X S H 3< S+ 0 0 38 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.665 93.9 88.1 -76.3 -16.7 23.4 -2.8 2.5 91 91 X L S << S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.6 31,-0.0 -0.474 76.8-118.5 -87.7 153.2 27.2 -2.3 2.6 92 92 X D > - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.308 44.3 -93.5 -72.0 169.6 30.1 -4.7 3.4 93 93 X A H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.819 123.0 50.4 -61.8 -35.7 32.3 -4.0 6.4 94 94 X V H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 113.3 44.6 -70.6 -45.8 35.0 -2.1 4.5 95 95 X R H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.841 107.6 59.9 -68.1 -30.8 32.5 0.2 2.8 96 96 X R H X S+ 0 0 80 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.896 103.0 52.7 -58.4 -41.0 30.7 0.7 6.1 97 97 X A H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.910 106.6 52.0 -61.4 -42.1 34.0 2.1 7.4 98 98 X A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.913 109.4 50.5 -59.3 -41.4 34.1 4.6 4.5 99 99 X A H X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.910 109.8 49.2 -63.0 -43.1 30.5 5.6 5.4 100 100 X I H X S+ 0 0 8 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.909 109.5 53.6 -61.7 -41.6 31.4 6.2 9.1 101 101 X N H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 110.8 44.9 -57.7 -50.6 34.4 8.2 7.9 102 102 X L H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.926 114.2 48.7 -61.0 -45.5 32.3 10.5 5.8 103 103 X V H X S+ 0 0 30 -4,-2.5 4,-1.8 1,-0.2 7,-0.2 0.907 111.1 51.6 -61.0 -42.3 29.7 10.9 8.5 104 104 X F H < S+ 0 0 23 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 111.9 46.1 -59.8 -47.7 32.4 11.7 11.1 105 105 X Q H < S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.3 49.8 -64.9 -41.4 33.9 14.4 8.8 106 106 X X H >< S+ 0 0 46 -4,-2.5 3,-1.8 -5,-0.2 4,-0.3 0.803 84.5 169.5 -70.6 -27.9 30.6 16.0 8.0 107 107 X G G >< - 0 0 45 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 -0.198 67.1 -5.1 55.1-135.4 29.6 16.2 11.7 108 108 X E G 3 S+ 0 0 200 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.651 125.9 71.8 -69.2 -14.4 26.5 18.2 12.4 109 109 X T G < S- 0 0 94 -3,-1.8 3,-0.3 1,-0.1 -1,-0.3 0.832 91.9-163.8 -64.6 -32.4 26.3 19.3 8.8 110 110 X G < - 0 0 30 -3,-1.5 3,-0.1 -4,-0.3 -1,-0.1 -0.124 27.3 -85.4 74.6-172.5 25.2 15.8 8.0 111 111 X V S > S+ 0 0 18 1,-0.1 3,-2.1 2,-0.1 -1,-0.2 0.144 80.6 118.2-123.5 17.4 25.1 13.9 4.7 112 112 X A G > S+ 0 0 80 -3,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.862 75.3 60.7 -56.0 -35.6 21.7 14.9 3.2 113 113 X G G 3 S+ 0 0 83 1,-0.3 3,-0.3 -3,-0.1 -1,-0.3 0.674 96.2 62.2 -65.5 -16.6 23.5 16.5 0.3 114 114 X F G <> + 0 0 19 -3,-2.1 4,-2.8 1,-0.2 3,-0.4 0.277 67.5 118.0 -90.4 10.6 25.0 13.1 -0.6 115 115 X T H <> S+ 0 0 70 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.858 75.4 46.7 -46.3 -48.7 21.5 11.6 -1.2 116 116 X N H > S+ 0 0 89 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.890 114.3 47.6 -66.3 -38.2 22.2 10.8 -4.9 117 117 X S H > S+ 0 0 4 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.912 111.4 50.8 -63.3 -45.7 25.7 9.3 -4.1 118 118 X L H X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.872 107.3 53.6 -65.1 -36.7 24.2 7.2 -1.3 119 119 X R H X S+ 0 0 119 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.926 108.8 49.1 -61.2 -45.2 21.5 5.8 -3.5 120 120 X X H <>S+ 0 0 45 -4,-1.8 5,-2.4 1,-0.2 4,-0.2 0.878 110.3 51.4 -63.6 -37.1 24.1 4.7 -6.1 121 121 X L H ><5S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.919 107.9 51.6 -62.5 -44.2 26.1 3.0 -3.2 122 122 X Q H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.850 109.6 50.8 -60.5 -34.1 22.9 1.2 -2.1 123 123 X Q T 3<5S- 0 0 94 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.481 112.3-124.9 -79.3 -5.2 22.5 0.1 -5.8 124 124 X K T < 5 + 0 0 96 -3,-1.5 2,-1.3 -4,-0.2 -3,-0.2 0.806 62.0 145.5 60.4 33.6 26.2 -1.2 -5.7 125 125 X R >< + 0 0 127 -5,-2.4 4,-2.8 1,-0.2 5,-0.2 -0.701 23.0 173.6 -94.3 76.5 27.0 0.9 -8.8 126 126 X W H > + 0 0 52 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.867 67.7 43.3 -66.1 -45.0 30.5 1.5 -7.4 127 127 X D H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 116.9 48.4 -67.4 -41.3 32.2 3.4 -10.2 128 128 X E H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.5 50.0 -63.3 -42.9 29.2 5.6 -10.8 129 129 X A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.904 108.6 53.1 -61.3 -41.6 28.9 6.3 -7.1 130 130 X A H X S+ 0 0 12 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.907 109.4 48.1 -61.8 -43.2 32.6 7.2 -7.0 131 131 X V H X S+ 0 0 87 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.922 113.7 47.9 -60.2 -44.7 32.2 9.7 -9.9 132 132 X N H >< S+ 0 0 35 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.885 106.1 57.0 -67.0 -39.0 29.1 11.2 -8.2 133 133 X L H 3< S+ 0 0 0 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.815 101.5 57.4 -60.5 -32.9 30.9 11.6 -4.8 134 134 X A H 3< S+ 0 0 28 -4,-1.2 2,-1.7 -3,-0.3 -1,-0.2 0.635 85.3 81.7 -76.3 -14.2 33.6 13.7 -6.3 135 135 X K S << S+ 0 0 161 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.507 81.8 98.5 -86.5 66.7 31.1 16.2 -7.6 136 136 X S S > S- 0 0 20 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.996 85.2-119.1-153.4 151.6 31.0 17.8 -4.1 137 137 X R H > S+ 0 0 146 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.917 115.0 61.8 -56.7 -40.9 32.4 20.7 -2.0 138 138 X W H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.918 105.0 44.2 -49.8 -54.2 33.8 17.9 0.2 139 139 X Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.5 49.4 -61.3 -44.2 36.0 16.5 -2.6 140 140 X N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.8 41.4 -65.0 -36.7 37.2 20.0 -3.7 141 141 X Q H < S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 132.4 21.1 -84.4 -34.2 38.1 21.2 -0.2 142 142 X T S X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.3 -0.596 74.1 159.6-129.0 70.6 39.8 17.9 1.0 143 143 X P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.840 70.4 51.5 -68.7 -34.2 40.7 16.1 -2.2 144 144 X N H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.949 115.8 40.9 -68.1 -45.9 43.4 13.8 -0.9 145 145 X R H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 115.6 51.5 -63.0 -45.6 41.2 12.5 2.0 146 146 X A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.911 106.8 53.9 -61.3 -41.2 38.1 12.3 -0.3 147 147 X K H X S+ 0 0 103 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.901 109.9 48.1 -58.1 -41.0 40.1 10.3 -2.9 148 148 X R H X S+ 0 0 55 -4,-1.7 4,-1.9 2,-0.2 12,-0.2 0.932 114.9 44.3 -63.7 -46.8 41.0 7.8 -0.1 149 149 X V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.926 114.3 49.7 -65.4 -43.6 37.4 7.5 1.1 150 150 X I H X S+ 0 0 13 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.912 108.7 52.1 -62.7 -43.1 36.0 7.3 -2.5 151 151 X T H X S+ 0 0 32 -4,-2.5 4,-2.6 -5,-0.2 6,-0.4 0.893 108.8 51.8 -58.7 -39.0 38.6 4.6 -3.4 152 152 X T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.932 112.5 44.8 -63.9 -44.5 37.4 2.6 -0.3 153 153 X F H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 115.5 48.8 -63.5 -37.7 33.7 3.0 -1.5 154 154 X R H < S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.903 126.8 21.2 -71.5 -40.4 34.7 2.1 -5.1 155 155 X T H < S- 0 0 43 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.659 84.3-134.0-106.3 -22.2 36.7 -1.0 -4.3 156 156 X G S < S+ 0 0 18 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.787 73.9 108.1 62.2 26.4 35.7 -2.3 -0.8 157 157 X T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.840 79.1-123.5-124.3 168.7 39.4 -2.7 -0.1 158 158 X W >> + 0 0 47 -2,-0.3 4,-2.7 1,-0.2 3,-2.3 0.119 69.4 123.9 -94.8 19.4 41.9 -0.8 2.0 159 159 X D T 34 + 0 0 89 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.791 69.0 55.8 -54.3 -33.5 44.2 -0.1 -0.9 160 160 X A T 34 S+ 0 0 22 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.602 122.7 25.5 -76.5 -9.7 44.1 3.7 -0.3 161 161 X Y T X4 S+ 0 0 3 -3,-2.3 3,-1.4 -13,-0.1 -2,-0.2 0.660 101.8 75.0-120.2 -33.1 45.4 3.3 3.3 162 162 X K T 3< S+ 0 0 107 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.1 0.746 101.4 41.8 -65.7 -25.8 47.3 0.1 3.7 163 163 X N T 3 0 0 136 -4,-0.5 -1,-0.3 -5,-0.2 -4,-0.1 0.132 360.0 360.0-111.2 18.9 50.5 1.2 2.0 164 164 X L < 0 0 137 -3,-1.4 -1,-0.2 0, 0.0 -2,-0.1 0.727 360.0 360.0 -76.6 360.0 50.8 4.8 3.4