==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-DEC-06 2OE4 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.D.COLLINS,M.L.QUILLIN,B.W.MATTHEWS,S.M.GRUNER . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 7.4 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 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 0 0 0 0 0 0 1 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 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 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 M 0 0 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.9 43.3 -1.8 9.0 2 2 X N > - 0 0 68 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.891 360.0 -79.9-148.9-179.1 40.0 -0.7 10.6 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.864 126.0 51.8 -57.3 -40.5 37.9 2.4 11.2 4 4 X F H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 113.1 42.3 -62.9 -49.4 40.1 3.6 14.0 5 5 X E H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.865 114.6 53.6 -66.2 -35.8 43.4 3.3 12.1 6 6 X M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.2 0.963 112.3 42.1 -62.8 -55.8 41.7 4.8 9.0 7 7 X L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.836 109.1 58.5 -63.1 -31.7 40.5 7.9 10.9 8 8 X R H X S+ 0 0 93 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.894 109.8 45.7 -66.0 -34.6 43.8 8.3 12.8 9 9 X I H < S+ 0 0 85 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.942 116.8 43.4 -68.6 -46.9 45.5 8.6 9.4 10 10 X D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.797 125.9 31.6 -69.3 -30.2 43.0 11.0 7.9 11 11 X E H < S- 0 0 46 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.730 89.6-154.1-104.0 -27.6 42.7 13.2 11.0 12 12 X G < - 0 0 24 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.1 -0.205 25.2 -89.9 75.6-177.8 46.1 13.1 12.7 13 13 X L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.973 41.5 171.0-137.3 123.9 46.6 13.6 16.4 14 14 X R E -A 28 0A 147 14,-1.6 14,-2.6 -2,-0.4 4,-0.1 -0.996 19.3-161.0-133.9 132.3 47.3 17.0 18.1 15 15 X L E S+ 0 0 68 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.416 75.0 62.5 -93.0 -3.4 47.2 17.4 21.8 16 16 X K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.926 101.6 -85.5-122.2 149.6 46.7 21.2 21.8 17 17 X I E + 0 0 16 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.237 57.8 169.8 -51.5 135.0 43.7 23.1 20.4 18 18 X Y E -A 26 0A 24 8,-3.1 8,-2.7 -4,-0.1 2,-0.5 -0.888 36.9-102.5-141.4 169.4 44.1 23.7 16.6 19 19 X K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.860 35.2-140.5 -98.3 132.8 42.1 25.0 13.7 20 20 X D > - 0 0 46 4,-2.4 3,-1.7 -2,-0.5 -1,-0.1 -0.029 42.1 -77.4 -78.8-166.8 40.8 22.3 11.3 21 21 X T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 134.9 48.7 -70.7 -23.1 40.7 22.7 7.5 22 22 X E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.432 123.5-103.8 -91.9 -4.3 37.6 24.9 7.8 23 23 X G S < S+ 0 0 35 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.561 74.3 139.9 90.6 10.5 39.2 27.1 10.5 24 24 X Y - 0 0 78 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.722 61.0-100.0 -94.4 142.6 37.3 25.6 13.4 25 25 X Y E +AB 19 34A 35 9,-0.7 8,-2.9 11,-0.4 9,-1.3 -0.346 55.1 160.6 -60.2 129.7 38.7 24.9 16.9 26 26 X T E -AB 18 32A 2 -8,-2.7 -8,-3.1 6,-0.3 2,-0.3 -0.898 18.5-169.5-146.0 158.3 39.5 21.2 17.1 27 27 X I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 -12,-0.2 -0.970 51.8 4.1-147.9 162.0 41.6 19.0 19.4 28 28 X G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.6 -2,-0.3 2,-1.0 -0.399 123.8 -5.7 74.7-133.1 42.8 15.3 19.5 29 29 X I T 4 S- 0 0 3 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.694 128.6 -53.5-101.6 75.1 41.9 13.1 16.6 30 30 X G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.810 83.3 162.5 62.8 31.5 39.6 15.5 14.7 31 31 X H E < -B 27 0A 32 -4,-2.3 -4,-1.8 32,-0.0 -1,-0.2 -0.737 32.4-142.8 -85.1 103.2 37.4 16.3 17.7 32 32 X L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.436 20.2-177.0 -66.5 126.7 35.6 19.5 16.7 33 33 X L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.914 59.1 -25.7 -89.1 -51.2 35.1 21.8 19.7 34 34 X T E -B 25 0A 28 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.971 36.4-138.3-164.8 145.4 33.2 24.7 18.4 35 35 X K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.471 73.2 113.0 -84.8 -3.8 32.5 26.6 15.2 36 36 X S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.461 74.7-128.0 -74.2 140.9 32.7 29.9 17.1 37 37 X P S S+ 0 0 127 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.462 80.0 102.5 -62.2 -2.5 35.6 32.3 16.4 38 38 X S > - 0 0 47 1,-0.1 4,-1.8 -13,-0.0 -2,-0.1 -0.759 56.0-163.2-100.4 120.0 36.5 32.4 20.1 39 39 X L H > S+ 0 0 66 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.793 97.2 57.5 -66.4 -27.3 39.4 30.5 21.6 40 40 X N H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 103.8 50.2 -67.7 -43.5 37.8 31.0 24.9 41 41 X A H > S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.889 112.5 49.8 -57.2 -38.4 34.6 29.4 23.8 42 42 X A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.926 108.8 50.0 -65.1 -48.1 36.8 26.4 22.5 43 43 X K H X S+ 0 0 50 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.888 111.7 49.4 -61.8 -38.8 38.7 26.1 25.8 44 44 X S H X S+ 0 0 71 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.861 111.0 48.0 -72.0 -35.0 35.4 26.0 27.7 45 45 X E H X S+ 0 0 66 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.882 112.3 52.6 -66.1 -39.2 34.0 23.3 25.4 46 46 X L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.907 108.1 47.8 -61.8 -45.2 37.2 21.4 25.9 47 47 X D H X>S+ 0 0 37 -4,-2.4 4,-2.4 1,-0.2 5,-1.2 0.914 113.4 49.0 -61.6 -41.8 37.0 21.6 29.7 48 48 X K H <5S+ 0 0 146 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.881 111.7 49.4 -61.9 -42.1 33.4 20.4 29.5 49 49 X A H <5S+ 0 0 42 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.848 121.7 33.3 -66.3 -38.1 34.3 17.5 27.1 50 50 X I H <5S- 0 0 34 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.683 102.8-128.1 -93.8 -24.6 37.2 16.3 29.3 51 51 X G T <5S+ 0 0 64 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.817 76.2 72.9 76.7 30.6 35.8 17.2 32.7 52 52 X R S - 0 0 11 -2,-0.9 3,-1.1 -11,-0.3 -1,-0.2 0.751 32.2-144.2 -95.0 -26.0 42.7 21.8 30.6 55 55 X N T 3 S- 0 0 113 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.830 74.2 -58.6 51.3 35.9 44.1 25.1 29.5 56 56 X G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.453 117.9 99.0 85.5 2.7 43.8 23.9 25.9 57 57 X V B < +C 16 0B 70 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.980 45.1 179.1-125.3 137.5 46.1 20.9 26.3 58 58 X I - 0 0 3 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.810 27.2-109.8-127.4 167.0 45.0 17.2 26.8 59 59 X T > - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.517 32.4-106.0 -91.7 168.9 46.9 14.0 27.1 60 60 X K H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 121.3 53.5 -57.5 -47.3 47.0 11.1 24.6 61 61 X D H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 109.9 48.5 -51.5 -45.1 44.7 9.0 26.7 62 62 X E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 110.1 51.2 -66.8 -38.5 42.2 11.8 26.7 63 63 X A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -34,-0.5 0.900 111.7 47.7 -64.6 -42.0 42.5 12.3 22.9 64 64 X E H X S+ 0 0 77 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.795 108.2 55.2 -71.0 -30.3 41.8 8.6 22.4 65 65 X K H X S+ 0 0 141 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.932 109.2 45.8 -67.5 -45.7 38.9 8.7 24.8 66 66 X L H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.910 111.8 54.4 -59.6 -41.9 37.2 11.5 22.8 67 67 X F H X S+ 0 0 12 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.933 106.7 49.4 -58.2 -52.3 38.0 9.5 19.6 68 68 X N H X S+ 0 0 88 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.888 112.7 47.9 -53.8 -43.0 36.3 6.4 20.8 69 69 X Q H X S+ 0 0 98 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.884 112.0 49.8 -66.5 -39.1 33.2 8.4 21.7 70 70 X D H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.870 111.1 47.6 -71.1 -38.8 33.2 10.2 18.4 71 71 X V H X S+ 0 0 7 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.953 113.4 49.2 -63.6 -47.7 33.5 6.9 16.4 72 72 X D H X S+ 0 0 91 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.953 112.4 47.9 -54.7 -52.5 30.7 5.4 18.5 73 73 X A H X S+ 0 0 45 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.892 109.0 53.8 -57.3 -41.5 28.6 8.5 17.9 74 74 X A H X S+ 0 0 7 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.963 111.5 45.0 -58.8 -49.8 29.3 8.4 14.2 75 75 X V H X S+ 0 0 33 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 112.9 50.4 -58.5 -46.0 28.1 4.7 14.0 76 76 X R H X S+ 0 0 126 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.867 108.7 52.8 -67.3 -32.2 25.0 5.4 16.1 77 77 X G H X S+ 0 0 3 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.874 108.3 50.4 -69.1 -39.1 24.1 8.4 13.9 78 78 X I H >< S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 7,-0.4 0.957 112.7 46.6 -56.0 -50.3 24.2 6.2 10.8 79 79 X L H 3< S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.783 112.8 48.9 -72.7 -22.1 22.0 3.6 12.4 80 80 X R H 3< S+ 0 0 173 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.527 95.0 91.9 -86.2 -11.0 19.4 6.2 13.7 81 81 X N S+ 0 0 135 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.841 120.8 38.6 -85.5 -35.4 18.7 7.5 4.7 84 84 X L H > S+ 0 0 0 -7,-0.2 4,-2.8 -6,-0.2 3,-0.2 0.859 103.9 66.1 -85.2 -40.8 22.1 6.2 6.0 85 85 X K H X S+ 0 0 84 -4,-2.7 4,-2.6 -7,-0.4 5,-0.3 0.934 101.2 47.2 -54.0 -51.4 21.0 3.0 7.8 86 86 X P H > S+ 0 0 53 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 113.8 49.9 -63.6 -28.4 19.8 1.1 4.7 87 87 X V H X S+ 0 0 2 -4,-0.6 4,-0.9 -3,-0.2 3,-0.3 0.947 111.4 47.6 -70.4 -46.7 23.0 2.0 2.9 88 88 X Y H >< S+ 0 0 32 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.932 109.8 52.5 -57.4 -49.4 25.2 0.9 5.7 89 89 X D H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.7 53.4 -59.0 -31.0 23.4 -2.4 6.2 90 90 X S H 3< S+ 0 0 39 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.681 97.1 86.3 -76.1 -21.8 23.8 -3.1 2.4 91 91 X L S << S- 0 0 5 -3,-1.1 31,-0.0 -4,-0.9 2,-0.0 -0.485 77.2-116.6 -85.5 152.0 27.6 -2.6 2.5 92 92 X D > - 0 0 57 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.206 44.6 -91.7 -70.6 173.6 30.5 -5.0 3.2 93 93 X A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.801 122.1 48.8 -66.9 -37.9 32.8 -4.3 6.2 94 94 X V H > S+ 0 0 25 2,-0.2 4,-1.4 62,-0.2 3,-0.3 0.951 113.2 45.9 -68.3 -48.7 35.4 -2.2 4.4 95 95 X R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.828 105.5 61.7 -67.0 -30.9 32.9 0.1 2.7 96 96 X R H X S+ 0 0 83 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.920 101.5 53.9 -53.7 -45.0 31.0 0.5 6.0 97 97 X A H X S+ 0 0 7 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.878 104.7 54.0 -57.4 -40.2 34.3 2.0 7.3 98 98 X A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.886 108.5 48.7 -61.6 -40.9 34.3 4.5 4.4 99 99 X L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.903 110.8 49.9 -66.7 -41.4 30.7 5.6 5.3 100 100 X I H X S+ 0 0 8 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.923 107.3 55.5 -60.9 -42.7 31.6 6.1 8.9 101 101 X N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.934 108.5 47.7 -55.9 -49.1 34.7 8.1 7.9 102 102 X M H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.889 113.1 47.7 -60.4 -42.4 32.4 10.5 5.9 103 103 X V H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.904 110.1 53.0 -67.4 -41.7 29.9 10.9 8.8 104 104 X F H < S+ 0 0 30 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.920 115.8 40.7 -54.7 -45.8 32.7 11.5 11.3 105 105 X Q H < S+ 0 0 55 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.902 133.7 15.1 -73.7 -43.3 34.1 14.2 9.0 106 106 X M H X S- 0 0 53 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.480 103.8-112.0-122.6 0.8 30.9 16.0 8.0 107 107 X G H X - 0 0 33 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.135 35.4 -77.8 85.8 159.1 28.1 14.8 10.2 108 108 X E H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.886 128.2 51.0 -63.5 -39.6 25.0 12.7 9.7 109 109 X T H > S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.905 109.1 51.1 -63.5 -43.2 23.0 15.5 8.0 110 110 X G H >< S+ 0 0 32 -4,-0.5 3,-0.9 2,-0.2 -2,-0.2 0.949 113.1 43.5 -59.7 -51.9 25.9 16.3 5.6 111 111 X V H >< S+ 0 0 0 -4,-2.1 3,-3.0 1,-0.3 -2,-0.2 0.926 105.1 61.9 -63.9 -42.4 26.3 12.8 4.4 112 112 X A H 3< S+ 0 0 17 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.743 94.3 68.4 -55.6 -22.7 22.5 12.2 4.1 113 113 X G T << S+ 0 0 56 -3,-0.9 2,-0.7 -4,-0.9 -1,-0.3 0.462 75.1 83.7 -69.4 -5.7 22.7 15.0 1.5 114 114 X F <> + 0 0 36 -3,-3.0 4,-2.8 1,-0.2 5,-0.2 -0.272 56.9 154.7 -95.2 52.5 24.6 12.7 -0.8 115 115 X T H > + 0 0 90 -2,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.820 68.2 42.5 -49.7 -50.4 21.3 11.3 -2.1 116 116 X N H > S+ 0 0 81 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.898 115.6 48.2 -67.2 -44.8 22.5 10.2 -5.5 117 117 X S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 110.5 52.8 -59.4 -44.8 25.8 8.7 -4.3 118 118 X L H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.893 108.3 50.1 -61.0 -43.3 24.1 6.8 -1.5 119 119 X R H X S+ 0 0 121 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.912 111.8 47.7 -61.8 -43.7 21.6 5.3 -4.0 120 120 X M H <>S+ 0 0 29 -4,-2.1 5,-2.5 2,-0.2 4,-0.5 0.872 111.1 51.6 -64.4 -37.4 24.5 4.2 -6.2 121 121 X L H ><5S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.957 109.1 50.1 -64.1 -46.6 26.3 2.7 -3.2 122 122 X Q H 3<5S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.849 111.9 48.0 -56.9 -35.9 23.2 0.8 -2.2 123 123 X Q T 3<5S- 0 0 84 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.475 112.8-122.5 -82.7 -5.4 22.9 -0.6 -5.8 124 124 X K T < 5 + 0 0 102 -3,-1.5 2,-1.3 -4,-0.5 -3,-0.2 0.792 61.6 147.6 64.4 34.4 26.7 -1.5 -5.8 125 125 X R >< + 0 0 118 -5,-2.5 4,-2.5 1,-0.2 5,-0.2 -0.683 20.5 172.5 -94.8 76.1 27.4 0.7 -8.8 126 126 X W H > + 0 0 50 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.861 67.3 47.6 -63.4 -46.1 30.9 1.5 -7.4 127 127 X D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 115.7 46.9 -64.8 -40.3 32.5 3.3 -10.4 128 128 X E H > S+ 0 0 103 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.868 110.6 50.8 -68.3 -39.6 29.5 5.5 -10.8 129 129 X A H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.883 109.1 53.1 -60.3 -43.0 29.2 6.3 -7.0 130 130 X A H X S+ 0 0 11 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.898 109.3 48.2 -60.9 -44.6 32.9 7.3 -7.0 131 131 X V H X S+ 0 0 87 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.937 115.6 44.0 -60.5 -49.1 32.3 9.7 -9.9 132 132 X N H >< S+ 0 0 41 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.904 108.2 57.5 -66.2 -40.9 29.3 11.3 -8.2 133 133 X L H 3< S+ 0 0 1 -4,-3.2 6,-0.4 1,-0.2 -1,-0.2 0.855 102.8 57.2 -56.3 -34.0 31.0 11.4 -4.8 134 134 X A H 3< S+ 0 0 26 -4,-1.3 2,-1.7 -3,-0.2 -1,-0.2 0.633 86.1 78.7 -72.4 -20.2 33.8 13.5 -6.4 135 135 X K S << S+ 0 0 157 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.604 81.6 100.9 -87.2 72.3 31.3 16.2 -7.6 136 136 X S S > S- 0 0 16 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.996 84.3-118.8-155.4 150.4 31.1 17.8 -4.2 137 137 X R H > S+ 0 0 150 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.937 115.9 62.0 -56.4 -42.3 32.5 20.6 -2.1 138 138 X W H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.902 105.6 43.6 -46.4 -50.8 33.9 17.9 0.1 139 139 X Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.3 48.3 -67.4 -41.9 36.1 16.6 -2.7 140 140 X N H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.844 116.6 42.0 -72.0 -31.1 37.2 20.0 -3.8 141 141 X Q H < S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 132.1 20.3 -82.6 -39.1 38.1 21.2 -0.3 142 142 X T S X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 -0.567 73.3 161.3-127.2 68.5 39.9 18.1 0.9 143 143 X P H > S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.856 70.9 51.8 -62.2 -38.6 40.9 16.2 -2.3 144 144 X N H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.933 116.7 39.6 -66.6 -45.4 43.5 13.8 -0.8 145 145 X R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.933 116.2 50.6 -63.2 -48.6 41.3 12.6 2.0 146 146 X A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.924 108.6 53.2 -60.5 -44.8 38.2 12.4 -0.2 147 147 X K H X S+ 0 0 100 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.866 108.0 50.3 -54.8 -42.4 40.2 10.4 -2.8 148 148 X R H X S+ 0 0 68 -4,-1.6 4,-1.3 2,-0.2 12,-0.2 0.905 114.8 43.9 -64.5 -40.1 41.3 7.8 -0.2 149 149 X V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.926 113.9 49.8 -70.6 -46.7 37.6 7.4 1.0 150 150 X I H X S+ 0 0 13 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.916 109.1 52.4 -58.1 -44.4 36.3 7.3 -2.5 151 151 X T H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.2 6,-0.4 0.847 106.3 54.9 -57.5 -35.2 38.9 4.6 -3.5 152 152 X T H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.914 110.8 43.7 -68.7 -41.7 37.7 2.6 -0.5 153 153 X F H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 115.1 51.1 -67.6 -36.9 34.1 2.7 -1.8 154 154 X R H < S+ 0 0 108 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 126.1 19.7 -67.8 -43.4 35.2 2.0 -5.3 155 155 X T H < S- 0 0 47 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.643 85.3-135.1-103.3 -24.9 37.4 -1.1 -4.5 156 156 X G S < S+ 0 0 17 -4,-2.1 2,-0.3 -5,-0.3 -62,-0.2 0.778 72.8 104.0 66.2 25.9 36.2 -2.4 -1.2 157 157 X T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.823 80.2-120.0-129.0 170.0 39.9 -2.8 -0.1 158 158 X W S >> S+ 0 0 40 -2,-0.3 3,-2.4 1,-0.2 4,-0.7 0.156 72.3 121.9 -92.5 15.1 42.2 -0.7 2.1 159 159 X D G >4 + 0 0 95 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.823 66.7 57.4 -54.2 -34.7 44.7 -0.1 -0.7 160 160 X A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.662 110.1 47.7 -70.4 -11.3 44.5 3.8 -0.4 161 161 X Y G <4 0 0 19 -3,-2.4 -1,-0.2 -13,-0.1 -2,-0.2 0.484 360.0 360.0-107.8 -6.3 45.6 3.5 3.2 162 162 X K << 0 0 178 -3,-0.9 -2,-0.1 -4,-0.7 -3,-0.1 0.844 360.0 360.0-102.8 360.0 48.6 1.1 2.8