==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-07 2RAZ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 10 6.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 1 0 2 1 0 0 1 1 0 0 0 0 1 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 M 0 0 70 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.7 -7.3 15.9 -9.0 2 2 X N > - 0 0 66 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.927 360.0 -78.0-165.6 178.0 -9.8 18.3 -10.6 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.850 127.2 52.2 -59.7 -35.8 -13.6 18.5 -11.1 4 4 X F H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 113.7 41.2 -64.5 -49.0 -13.5 16.1 -14.1 5 5 X E H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.868 115.3 53.8 -67.4 -32.9 -11.5 13.4 -12.2 6 6 X M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.958 112.0 41.3 -68.5 -52.4 -13.6 14.0 -9.1 7 7 X L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.840 110.1 59.3 -64.3 -31.6 -17.0 13.5 -10.8 8 8 X R H X S+ 0 0 102 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.907 109.2 45.0 -64.6 -38.7 -15.6 10.6 -12.8 9 9 X I H < S+ 0 0 90 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.950 118.2 42.1 -63.4 -48.7 -14.9 8.9 -9.5 10 10 X D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.804 125.6 33.3 -72.0 -30.9 -18.3 9.7 -8.0 11 11 X E H < S- 0 0 42 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.663 91.2-155.4-100.6 -24.0 -20.3 9.0 -11.1 12 12 X G < - 0 0 24 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.191 24.7 -88.4 73.4-171.6 -18.4 6.1 -12.8 13 13 X L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.948 43.9 168.1-141.6 121.8 -18.6 5.3 -16.5 14 14 X R E -A 28 0A 143 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 21.0-159.9-134.3 134.3 -21.2 3.1 -18.1 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.486 74.3 63.2 -95.0 -4.8 -21.8 2.9 -21.9 16 16 X K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.906 101.4 -84.9-117.5 148.8 -25.3 1.5 -21.8 17 17 X I E + 0 0 32 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.243 58.3 167.3 -51.1 130.1 -28.4 3.1 -20.4 18 18 X Y E -A 26 0A 26 8,-2.7 8,-2.9 -4,-0.1 2,-0.4 -0.890 37.3-103.2-137.1 169.8 -28.7 2.4 -16.6 19 19 X K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.825 34.5-136.1 -98.3 135.9 -30.7 3.8 -13.7 20 20 X D > - 0 0 45 4,-2.7 3,-2.0 -2,-0.4 -1,-0.1 -0.025 41.7 -78.5 -78.4-172.5 -29.0 6.2 -11.3 21 21 X T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.716 135.4 49.9 -63.9 -21.4 -29.2 6.1 -7.4 22 22 X E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.414 123.1-105.4 -93.7 -1.7 -32.7 7.7 -7.7 23 23 X G S < S+ 0 0 37 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.589 74.3 139.6 86.5 15.0 -33.9 5.2 -10.3 24 24 X Y - 0 0 78 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.739 61.6-100.2 -96.9 140.0 -33.7 7.6 -13.3 25 25 X Y E +A 19 0A 38 11,-0.4 8,-2.8 9,-0.4 9,-1.2 -0.339 55.2 161.6 -62.1 131.7 -32.4 6.6 -16.7 26 26 X T E -AB 18 32A 2 -8,-2.9 -8,-2.7 6,-0.3 2,-0.3 -0.896 19.2-166.2-147.1 157.9 -28.8 7.8 -17.1 27 27 X I E > + B 0 31A 0 4,-1.9 4,-2.4 -2,-0.3 -12,-0.2 -0.981 51.6 1.2-147.9 164.5 -25.8 7.1 -19.3 28 28 X G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-1.1 -0.390 124.5 -3.1 70.7-131.6 -22.1 7.7 -19.5 29 29 X I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.632 129.4 -55.1 -98.9 69.7 -20.6 9.6 -16.6 30 30 X G T 4 S+ 0 0 12 -2,-1.1 2,-1.0 -19,-0.4 -2,-0.2 0.824 81.4 165.9 65.8 32.4 -23.8 10.3 -14.7 31 31 X H E < -B 27 0A 31 -4,-2.4 -4,-1.9 -20,-0.1 2,-0.2 -0.710 31.2-141.5 -82.1 104.7 -25.6 12.0 -17.6 32 32 X L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.475 18.5-173.7 -65.8 127.2 -29.2 12.1 -16.5 33 33 X L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.883 58.2 -36.7 -88.1 -45.3 -31.4 11.4 -19.5 34 34 X T - 0 0 32 -9,-1.2 -1,-0.4 2,-0.1 -9,-0.4 -0.954 36.5-127.0-170.3 156.9 -34.8 11.9 -18.2 35 35 X K S S+ 0 0 131 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.422 75.3 118.2 -92.2 -0.7 -36.9 11.5 -15.0 36 36 X S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.380 67.0-139.9 -61.6 136.9 -39.5 9.7 -17.2 37 37 X P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.529 76.0 104.7 -74.9 -1.4 -40.1 6.0 -16.2 38 38 X S > - 0 0 50 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.708 56.3-164.0 -85.4 115.2 -40.3 5.3 -20.0 39 39 X L H > S+ 0 0 67 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.904 94.3 55.0 -63.0 -39.8 -37.2 3.6 -21.4 40 40 X N H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 106.6 51.3 -58.1 -40.6 -38.2 4.5 -24.9 41 41 X A H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 109.8 49.8 -62.4 -39.9 -38.4 8.2 -23.8 42 42 X A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.908 107.8 53.3 -65.4 -42.5 -34.9 7.9 -22.3 43 43 X K H X S+ 0 0 61 -4,-2.7 4,-2.6 2,-0.2 11,-0.3 0.878 108.1 51.4 -58.5 -40.3 -33.6 6.3 -25.6 44 44 X S H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 109.7 49.0 -61.7 -46.7 -35.1 9.3 -27.5 45 45 X E H X S+ 0 0 70 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 111.2 50.9 -60.5 -39.6 -33.3 11.8 -25.1 46 46 X L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.955 110.3 48.0 -63.1 -50.5 -30.1 9.8 -25.7 47 47 X D H X>S+ 0 0 36 -4,-2.6 4,-2.4 1,-0.2 5,-0.8 0.893 112.6 49.4 -55.9 -42.9 -30.4 10.0 -29.5 48 48 X K H <5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.3 48.4 -63.8 -39.0 -31.1 13.7 -29.3 49 49 X A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.874 120.2 35.5 -70.8 -38.5 -28.1 14.3 -27.0 50 50 X I H <5S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.729 102.2-127.4 -88.8 -26.9 -25.7 12.3 -29.2 51 51 X G T <5S+ 0 0 68 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.686 76.9 72.4 83.7 21.1 -27.1 13.2 -32.6 52 52 X R S - 0 0 8 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.696 31.8-141.8 -89.8 -24.1 -27.7 5.0 -30.6 55 55 X N T 3 S- 0 0 121 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.765 73.8 -56.6 62.0 27.0 -30.1 2.1 -29.7 56 56 X G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.533 118.6 98.3 87.1 8.9 -29.2 2.8 -26.0 57 57 X V B < +C 16 0B 67 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.990 44.3 177.5-132.8 138.4 -25.4 2.4 -26.3 58 58 X I - 0 0 4 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.836 26.8-108.5-130.5 168.6 -22.6 5.0 -26.7 59 59 X T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.473 32.2-108.5 -90.7 168.9 -18.9 5.1 -27.0 60 60 X K H > S+ 0 0 83 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 121.0 52.6 -61.0 -44.2 -16.4 6.4 -24.4 61 61 X D H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 110.4 48.7 -58.5 -41.0 -15.6 9.4 -26.5 62 62 X E H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 110.5 50.3 -66.3 -41.8 -19.4 10.2 -26.7 63 63 X A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.909 111.4 48.6 -60.3 -43.0 -19.7 9.7 -22.9 64 64 X E H X S+ 0 0 84 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.866 108.1 54.7 -67.5 -34.4 -16.8 12.1 -22.3 65 65 X K H X S+ 0 0 142 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.948 110.3 45.0 -63.0 -49.0 -18.3 14.7 -24.7 66 66 X L H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.912 112.2 54.3 -59.1 -40.9 -21.6 14.7 -22.8 67 67 X F H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.925 107.1 48.4 -60.2 -49.4 -19.6 14.9 -19.5 68 68 X N H X S+ 0 0 89 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.916 113.3 48.6 -59.3 -42.7 -17.6 18.0 -20.6 69 69 X Q H X S+ 0 0 98 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.912 111.9 49.8 -61.3 -43.0 -20.9 19.7 -21.7 70 70 X D H X S+ 0 0 37 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.903 111.5 46.6 -66.3 -42.2 -22.5 18.8 -18.4 71 71 X V H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.956 114.4 48.5 -64.6 -48.0 -19.7 20.1 -16.2 72 72 X D H X S+ 0 0 92 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.942 112.7 47.6 -55.4 -53.3 -19.5 23.3 -18.3 73 73 X A H X S+ 0 0 63 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.849 108.1 56.1 -60.0 -36.1 -23.3 23.8 -18.1 74 74 X A H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.948 111.6 43.0 -61.1 -47.3 -23.2 23.2 -14.3 75 75 X V H X S+ 0 0 28 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 113.2 50.6 -63.4 -49.5 -20.7 26.0 -13.8 76 76 X R H X S+ 0 0 126 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.896 110.9 50.9 -58.8 -37.9 -22.5 28.4 -16.2 77 77 X G H >X S+ 0 0 10 -4,-2.6 3,-0.8 -5,-0.2 4,-0.7 0.928 107.6 52.0 -62.2 -48.2 -25.7 27.7 -14.3 78 78 X I H >< S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.2 7,-0.4 0.921 107.6 52.5 -51.3 -47.9 -24.1 28.4 -11.0 79 79 X L H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.718 109.8 49.5 -66.6 -20.9 -22.8 31.8 -12.3 80 80 X R H << S+ 0 0 178 -4,-1.0 2,-0.7 -3,-0.8 -1,-0.3 0.481 92.2 91.9 -93.4 -5.3 -26.4 32.7 -13.4 81 81 X N XX - 0 0 36 -3,-1.3 4,-3.2 -4,-0.7 3,-1.0 -0.822 63.1-155.6 -99.3 115.3 -27.9 31.8 -10.1 82 82 X A T 34 S+ 0 0 91 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.735 95.8 50.9 -60.3 -26.1 -28.2 34.8 -7.6 83 83 X K T 34 S+ 0 0 89 2,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.737 120.9 31.7 -80.2 -27.2 -28.3 32.4 -4.6 84 84 X L T <> S+ 0 0 13 -3,-1.0 4,-2.7 -6,-0.3 5,-0.2 0.782 101.8 72.2-103.1 -37.6 -25.2 30.4 -5.7 85 85 X K H X S+ 0 0 85 -4,-3.2 4,-3.1 -7,-0.4 5,-0.2 0.895 96.5 51.1 -49.1 -49.7 -22.9 32.9 -7.5 86 86 X P H > S+ 0 0 61 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.911 114.8 43.1 -58.7 -42.7 -21.8 34.8 -4.4 87 87 X V H >> S+ 0 0 10 -4,-0.3 4,-0.8 -3,-0.2 3,-0.5 0.959 114.8 49.6 -68.3 -46.8 -20.8 31.7 -2.5 88 88 X Y H >< S+ 0 0 33 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.932 111.4 49.0 -55.7 -49.1 -19.1 30.1 -5.6 89 89 X D H 3< S+ 0 0 69 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.779 107.2 56.5 -64.8 -25.7 -17.1 33.3 -6.2 90 90 X S H << S+ 0 0 33 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.654 95.9 89.0 -77.5 -18.0 -16.0 33.4 -2.5 91 91 X L S << S- 0 0 8 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.468 77.1-118.0 -86.7 152.2 -14.5 29.9 -2.7 92 92 X D > - 0 0 55 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.340 44.1 -95.8 -69.8 166.0 -11.0 28.7 -3.6 93 93 X A H > S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.819 121.7 53.0 -60.2 -34.2 -10.8 26.3 -6.7 94 94 X V H > S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.960 112.5 43.2 -70.0 -48.7 -10.9 23.1 -4.7 95 95 X R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.842 107.0 62.2 -66.1 -30.8 -14.1 24.0 -2.8 96 96 X R H X S+ 0 0 76 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.887 100.9 54.2 -55.3 -39.3 -15.5 25.3 -6.1 97 97 X A H X S+ 0 0 5 -4,-1.4 4,-2.5 -3,-0.4 -1,-0.2 0.896 104.8 53.1 -63.6 -39.8 -15.2 21.7 -7.4 98 98 X A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.898 108.9 49.8 -61.9 -40.1 -17.2 20.5 -4.4 99 99 X A H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.929 110.7 48.6 -61.4 -48.2 -20.0 23.0 -5.3 100 100 X I H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.913 108.0 56.4 -60.9 -39.7 -20.0 21.9 -8.9 101 101 X N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 108.2 46.2 -56.8 -49.6 -20.2 18.2 -7.7 102 102 X M H X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 5,-0.4 0.907 113.9 47.7 -61.4 -43.1 -23.3 18.9 -5.7 103 103 X V H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.897 110.3 53.3 -67.1 -40.1 -25.0 20.9 -8.5 104 104 X F H < S+ 0 0 33 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.922 115.9 39.8 -56.1 -45.9 -24.1 18.1 -11.0 105 105 X Q H < S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 133.6 17.2 -73.1 -43.6 -25.7 15.5 -8.7 106 106 X M H X S- 0 0 47 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.532 96.8-130.2-111.6 -12.1 -28.9 17.3 -7.5 107 107 X G H X - 0 0 30 -4,-2.5 4,-1.0 -5,-0.4 -1,-0.1 0.055 40.9 -70.0 74.9 168.4 -29.4 20.2 -9.9 108 108 X E H 4 S+ 0 0 70 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.876 138.0 49.6 -62.1 -39.7 -29.9 23.8 -8.9 109 109 X T H >4 S+ 0 0 132 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.854 105.9 59.5 -64.1 -36.2 -33.4 23.1 -7.5 110 110 X G H 3< S+ 0 0 32 -4,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.754 106.6 46.5 -63.7 -27.8 -31.8 20.2 -5.6 111 111 X V T >< S+ 0 0 11 -4,-1.0 3,-1.3 -3,-0.4 -1,-0.3 0.329 82.8 100.2 -98.4 6.7 -29.5 22.6 -3.8 112 112 X A G X S+ 0 0 64 -3,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.826 78.6 54.5 -59.5 -36.8 -32.3 25.1 -2.9 113 113 X G G 3 S+ 0 0 75 -4,-0.3 3,-0.5 -3,-0.3 -1,-0.2 0.489 87.3 83.3 -78.6 -1.5 -32.7 23.9 0.7 114 114 X F G <> + 0 0 24 -3,-1.3 4,-3.1 1,-0.2 3,-0.3 0.248 50.3 122.1 -89.8 16.7 -29.0 24.4 1.4 115 115 X T H <> S+ 0 0 90 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.843 76.2 45.7 -43.7 -46.5 -29.4 28.1 2.2 116 116 X N H > S+ 0 0 82 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.899 113.0 48.7 -72.1 -38.3 -27.9 27.7 5.7 117 117 X S H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.930 110.0 53.9 -61.5 -45.4 -24.9 25.6 4.5 118 118 X L H X S+ 0 0 32 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.898 107.3 49.8 -56.8 -44.5 -24.3 28.1 1.8 119 119 X R H X S+ 0 0 117 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.938 110.3 50.2 -61.6 -45.4 -24.1 31.0 4.3 120 120 X M H <>S+ 0 0 26 -4,-2.1 5,-2.5 1,-0.2 4,-0.2 0.884 111.1 49.5 -60.2 -38.7 -21.6 29.0 6.5 121 121 X L H ><5S+ 0 0 5 -4,-2.4 3,-1.6 2,-0.2 -1,-0.2 0.933 109.6 50.2 -64.5 -47.0 -19.5 28.3 3.4 122 122 X Q H 3<5S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 111.4 50.1 -58.7 -35.1 -19.5 32.0 2.4 123 123 X Q T 3<5S- 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.483 111.1-125.8 -79.5 -7.5 -18.5 32.8 6.0 124 124 X K T < 5 + 0 0 96 -3,-1.6 2,-1.4 -4,-0.2 -3,-0.2 0.795 59.5 148.3 59.7 32.9 -15.6 30.2 5.7 125 125 X R >< + 0 0 123 -5,-2.5 4,-2.8 1,-0.2 -1,-0.2 -0.655 21.7 174.8 -90.6 76.5 -16.9 28.4 8.8 126 126 X W H > + 0 0 49 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.846 68.1 43.6 -65.7 -44.6 -15.7 25.1 7.5 127 127 X D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 117.0 48.4 -67.2 -42.2 -16.4 22.7 10.3 128 128 X E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.907 110.6 50.9 -61.7 -44.6 -19.8 24.2 10.9 129 129 X A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.932 109.0 52.5 -54.9 -47.5 -20.7 24.1 7.2 130 130 X A H X S+ 0 0 10 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.898 110.4 46.9 -60.1 -43.8 -19.6 20.4 7.2 131 131 X V H < S+ 0 0 102 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.931 113.9 47.6 -62.7 -45.4 -21.9 19.6 10.1 132 132 X N H >< S+ 0 0 27 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.874 105.6 59.1 -66.8 -36.1 -24.9 21.5 8.5 133 133 X L H 3< S+ 0 0 3 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.809 99.5 57.9 -61.3 -31.5 -24.3 19.8 5.1 134 134 X A T 3< S+ 0 0 26 -4,-1.1 2,-1.8 -3,-0.5 -1,-0.3 0.627 83.5 84.0 -79.3 -12.1 -24.9 16.3 6.6 135 135 X K S < S+ 0 0 163 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 -0.415 81.0 98.1 -82.8 60.6 -28.3 17.3 7.9 136 136 X S S > S- 0 0 18 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.988 85.2-118.8-151.5 151.8 -29.8 16.4 4.5 137 137 X R H > S+ 0 0 141 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.929 115.6 61.6 -54.4 -42.6 -31.6 13.9 2.4 138 138 X W H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.914 104.4 45.3 -48.5 -53.7 -28.5 13.9 0.2 139 139 X Y H 4 S+ 0 0 69 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 115.2 48.1 -60.1 -42.8 -26.2 12.7 3.0 140 140 X N H < S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 117.1 39.7 -69.8 -35.2 -28.7 10.0 4.0 141 141 X Q H < S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.847 133.6 21.0 -85.4 -35.8 -29.3 8.6 0.6 142 142 X T S X S+ 0 0 18 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 -0.562 74.1 158.4-128.2 66.6 -25.7 8.9 -0.7 143 143 X P H > S+ 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.878 70.3 51.7 -64.6 -39.5 -23.6 9.0 2.4 144 144 X N H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.948 116.1 40.4 -63.9 -44.1 -20.2 7.8 1.0 145 145 X R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 115.3 52.2 -67.4 -43.8 -20.3 10.4 -1.8 146 146 X A H X S+ 0 0 0 -4,-2.7 4,-3.4 -8,-0.2 5,-0.2 0.917 106.7 53.9 -59.9 -41.7 -21.6 13.1 0.5 147 147 X K H X S+ 0 0 99 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.906 109.4 48.1 -60.1 -41.3 -18.8 12.4 3.0 148 148 X R H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 12,-0.2 0.936 115.0 44.7 -63.6 -46.2 -16.2 12.9 0.2 149 149 X V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 113.8 49.8 -66.4 -42.6 -17.8 16.1 -0.9 150 150 X I H X S+ 0 0 15 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.918 108.5 52.8 -61.6 -43.6 -18.2 17.4 2.6 151 151 X T H X S+ 0 0 38 -4,-2.6 4,-2.6 -5,-0.2 6,-0.4 0.880 107.5 53.6 -57.9 -37.6 -14.6 16.6 3.4 152 152 X T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.923 111.8 43.4 -65.0 -46.8 -13.6 18.6 0.4 153 153 X F H < S+ 0 0 5 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.859 115.3 50.4 -61.3 -37.9 -15.6 21.6 1.6 154 154 X R H < S+ 0 0 106 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.921 126.0 21.7 -68.9 -41.5 -14.3 21.1 5.2 155 155 X T H < S- 0 0 40 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.639 85.1-134.3-105.0 -24.0 -10.6 20.9 4.3 156 156 X G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.756 74.3 106.6 66.2 23.2 -10.1 22.6 0.9 157 157 X T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.812 80.2-122.5-122.9 170.8 -8.0 19.6 -0.1 158 158 X W S >> S+ 0 0 47 -2,-0.3 3,-2.2 1,-0.2 4,-0.8 0.084 70.5 123.6 -97.1 22.0 -8.5 16.5 -2.3 159 159 X D G >4 + 0 0 91 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.830 68.3 57.3 -54.2 -37.3 -7.8 14.1 0.6 160 160 X A G 34 S+ 0 0 30 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.655 110.5 44.0 -69.9 -14.1 -11.1 12.4 0.2 161 161 X Y G <4 0 0 19 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.421 360.0 360.0-114.0 -3.4 -10.3 11.5 -3.5 162 162 X K << 0 0 183 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.860 360.0 360.0 -82.0 360.0 -6.7 10.3 -3.1