==== 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 (O-GLYCOSYL) 28-JAN-91 1L41 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAOPIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 7.3 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 1 1 1 0 2 1 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 A M 0 0 66 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.8 37.1 -23.4 8.9 2 2 A N > - 0 0 66 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.907 360.0 -84.2-147.3 176.5 34.8 -20.9 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.841 125.2 52.9 -55.6 -40.0 34.4 -17.1 11.1 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.945 112.6 40.6 -64.4 -48.3 36.9 -17.1 14.0 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 114.9 54.9 -67.2 -33.7 39.7 -18.9 12.1 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.2 0.971 111.8 40.9 -66.0 -51.4 39.0 -16.9 9.1 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.787 110.0 60.2 -65.3 -31.5 39.4 -13.5 10.9 8 8 A R H X S+ 0 0 103 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.887 107.7 45.4 -65.5 -35.8 42.4 -14.9 12.7 9 9 A I H < S+ 0 0 52 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.933 116.0 45.5 -71.5 -42.1 44.0 -15.4 9.4 10 10 A D H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.845 124.4 29.3 -69.3 -35.5 43.0 -12.0 8.0 11 11 A E H < S- 0 0 32 -4,-2.4 19,-0.3 1,-0.2 -1,-0.2 0.657 91.2-151.5-101.5 -23.8 43.9 -9.9 11.0 12 12 A G < - 0 0 20 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.2 -0.217 25.7 -85.3 76.1-171.8 46.8 -11.8 12.7 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.965 42.9 173.7-139.9 121.7 47.5 -11.6 16.4 14 14 A R E -A 28 0A 126 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.998 18.0-164.7-131.7 127.8 49.5 -8.9 18.0 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.408 74.4 59.8 -92.1 0.5 49.9 -8.5 21.8 16 16 A K E S-C 57 0B 104 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.947 101.7 -85.1-126.8 145.4 51.3 -4.9 21.7 17 17 A I E + 0 0 19 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.276 58.1 170.1 -50.6 136.5 49.6 -1.8 20.4 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.4 -4,-0.1 2,-0.4 -0.890 36.2-104.4-142.3 167.1 50.3 -1.5 16.7 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.828 35.0-138.8 -99.6 134.2 49.1 0.6 13.8 20 20 A D > - 0 0 47 4,-2.5 3,-1.8 -2,-0.4 -1,-0.1 -0.049 40.0 -79.8 -77.7-172.0 46.7 -1.1 11.4 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.775 134.7 49.0 -64.9 -25.7 46.7 -0.7 7.6 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.415 123.3-106.3 -91.5 -0.6 45.0 2.6 7.9 23 23 A G S < S+ 0 0 36 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.565 73.9 139.3 87.7 14.3 47.5 3.7 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.716 62.1 -98.8 -95.0 147.8 45.1 3.5 13.5 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-3.0 11,-0.4 9,-1.3 -0.387 55.8 160.8 -63.6 125.6 46.1 2.1 16.9 26 26 A T E -AB 18 32A 3 -8,-3.4 -8,-2.7 6,-0.3 2,-0.3 -0.873 17.8-170.9-140.5 164.0 45.0 -1.5 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.970 51.5 6.3-151.2 168.3 45.8 -4.5 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-1.0 -0.339 124.1 -6.5 64.1-135.4 45.1 -8.2 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.645 127.4 -53.8 -97.7 73.1 43.1 -9.7 16.6 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.755 81.6 163.3 68.1 27.5 42.3 -6.5 14.7 31 31 A H E < -B 27 0A 35 -4,-2.1 -4,-1.4 1,-0.0 -1,-0.2 -0.674 33.3-141.0 -84.0 103.0 40.7 -4.7 17.7 32 32 A L E -B 26 0A 70 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.334 20.9-176.5 -58.7 129.2 40.6 -1.0 16.7 33 33 A L E - 0 0 14 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.859 57.3 -30.5 -96.3 -44.1 41.4 1.1 19.7 34 34 A T E -B 25 0A 27 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.966 34.8-135.0-169.7 151.4 41.0 4.6 18.4 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.472 75.0 113.1 -92.4 -1.8 41.3 6.7 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.384 71.3-134.3 -71.5 144.9 43.1 9.3 17.3 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.618 75.8 103.3 -75.8 -10.8 46.8 10.0 16.6 38 38 A S > - 0 0 49 1,-0.2 4,-1.9 -13,-0.0 5,-0.1 -0.634 57.2-160.3 -80.5 121.0 47.6 9.9 20.3 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.798 97.6 58.0 -63.1 -25.2 49.3 6.8 21.6 40 40 A N H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 102.5 49.4 -71.0 -44.9 48.2 8.0 24.9 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.883 112.7 51.4 -57.6 -40.8 44.5 8.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.879 108.6 47.9 -67.3 -40.6 45.1 4.5 22.6 43 43 A K H X S+ 0 0 55 -4,-2.4 4,-2.2 1,-0.2 11,-0.3 0.852 112.0 52.1 -71.1 -28.9 46.6 3.2 25.8 44 44 A S H X S+ 0 0 72 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.940 109.8 46.0 -69.1 -47.8 43.8 4.8 27.7 45 45 A E H X S+ 0 0 68 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.913 112.2 56.2 -61.8 -38.2 41.1 3.1 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.949 107.6 44.5 -59.1 -49.4 43.2 -0.1 25.9 47 47 A D H X>S+ 0 0 40 -4,-2.2 4,-1.7 1,-0.2 5,-1.1 0.832 112.0 53.2 -65.9 -33.6 43.0 -0.0 29.7 48 48 A K H <5S+ 0 0 142 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.889 110.3 49.1 -65.7 -40.8 39.3 0.8 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 119.6 34.9 -68.5 -36.7 38.7 -2.2 27.4 50 50 A I H <5S- 0 0 32 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.691 101.6-126.2 -95.0 -20.3 40.7 -4.7 29.5 51 51 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.796 77.1 74.2 78.7 29.8 39.8 -3.3 32.9 52 52 A R S - 0 0 7 -2,-1.1 3,-1.2 -11,-0.3 -1,-0.2 0.754 30.6-145.0 -89.7 -23.4 48.0 -2.6 30.7 55 55 A N T 3 S- 0 0 129 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.811 73.4 -59.0 65.0 27.5 50.9 -0.5 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.538 117.9 99.6 80.2 7.5 50.1 -1.2 26.1 57 57 A V B < -C 16 0B 63 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.980 46.3-178.8-131.1 139.8 50.5 -4.9 26.4 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.830 25.0-114.0-128.2 166.1 47.9 -7.7 26.7 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.521 33.7-104.8 -93.9 170.8 48.0 -11.4 27.1 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.864 121.2 52.1 -58.6 -43.1 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 109.1 50.0 -63.2 -39.9 43.6 -14.7 26.6 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.886 110.0 50.9 -67.9 -42.4 42.8 -11.0 26.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -34,-0.4 0.896 111.5 48.0 -60.7 -42.9 43.3 -10.7 23.0 64 64 A E H X S+ 0 0 71 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.842 107.7 55.0 -68.6 -30.9 40.9 -13.6 22.5 65 65 A K H X S+ 0 0 138 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.953 109.9 45.9 -65.5 -46.2 38.4 -12.2 24.8 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.904 112.4 53.7 -57.1 -43.7 38.3 -8.9 22.8 67 67 A F H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.938 105.8 50.1 -61.1 -48.4 38.1 -11.0 19.7 68 68 A N H X S+ 0 0 89 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.935 113.4 48.6 -57.8 -38.2 35.1 -13.0 21.0 69 69 A Q H X S+ 0 0 91 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 109.3 50.2 -66.6 -46.7 33.4 -9.7 21.8 70 70 A D H X S+ 0 0 39 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.809 110.8 49.1 -61.8 -36.6 34.1 -8.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.953 112.7 47.6 -70.5 -45.4 32.7 -11.0 16.5 72 72 A D H X S+ 0 0 89 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.941 112.8 49.0 -60.1 -45.3 29.6 -11.1 18.6 73 73 A A H X S+ 0 0 45 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.900 108.9 52.7 -63.9 -38.1 29.1 -7.4 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.941 112.0 45.9 -62.4 -47.8 29.7 -7.6 14.4 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.947 113.7 48.5 -59.5 -48.4 26.9 -10.3 14.1 76 76 A R H X S+ 0 0 110 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.840 110.2 52.7 -62.2 -34.9 24.5 -8.4 16.4 77 77 A G H X S+ 0 0 4 -4,-2.4 4,-0.6 -5,-0.3 3,-0.3 0.914 108.7 48.9 -67.1 -42.8 25.1 -5.2 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.3 0.936 109.8 53.1 -61.7 -44.6 24.3 -7.0 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.749 112.0 45.3 -63.0 -25.6 21.1 -8.4 12.7 80 80 A R H 3< S+ 0 0 176 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.3 0.367 92.8 93.8 -94.3 -10.0 20.0 -4.9 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.4 0.829 101.5 68.7 -90.5 -39.4 22.3 -5.8 6.2 85 85 A K H X S+ 0 0 78 -4,-2.7 4,-3.1 -7,-0.3 5,-0.2 0.909 99.1 49.8 -50.3 -51.8 19.9 -8.2 7.9 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.847 112.0 48.8 -61.1 -31.9 18.1 -9.2 4.8 87 87 A V H > S+ 0 0 2 -3,-0.4 4,-1.0 -4,-0.4 3,-0.4 0.965 112.3 47.7 -69.8 -47.9 21.2 -9.9 3.0 88 88 A Y H >< S+ 0 0 30 -4,-2.3 3,-1.0 1,-0.3 -3,-0.2 0.929 110.3 52.5 -56.5 -48.6 22.7 -12.0 5.8 89 89 A D H 3< S+ 0 0 72 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.821 106.9 53.7 -62.1 -30.1 19.4 -13.9 6.2 90 90 A S H 3< S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.699 97.3 87.1 -77.3 -18.3 19.4 -14.7 2.5 91 91 A L S << S- 0 0 6 -3,-1.0 31,-0.0 -4,-1.0 30,-0.0 -0.508 76.1-115.6 -86.9 157.1 23.0 -16.2 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.155 43.7 -93.5 -76.2 173.1 24.3 -19.6 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.854 122.2 48.0 -64.0 -37.3 26.6 -20.2 6.2 94 94 A V H > S+ 0 0 27 62,-0.2 4,-1.5 2,-0.2 3,-0.2 0.963 113.7 46.3 -67.4 -50.1 29.9 -19.7 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.849 105.3 60.8 -60.4 -37.0 28.9 -16.5 2.6 96 96 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.931 101.7 54.7 -52.7 -45.0 27.5 -15.2 5.9 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.905 104.1 54.6 -55.8 -41.3 31.1 -15.5 7.2 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.874 109.4 46.4 -59.6 -39.2 32.2 -13.3 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 -2,-0.2 0.917 110.5 51.6 -72.1 -39.1 29.8 -10.6 5.3 100 100 A I H X S+ 0 0 10 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.910 106.9 55.8 -63.6 -39.5 30.7 -10.7 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.958 109.9 45.6 -59.6 -46.4 34.4 -10.4 7.8 102 102 A M H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.910 113.2 48.8 -61.8 -44.4 33.6 -7.2 5.9 103 103 A V H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.918 109.8 51.8 -62.0 -42.2 31.6 -5.8 8.8 104 104 A F H < S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 116.9 40.3 -60.5 -38.7 34.4 -6.6 11.3 105 105 A Q H < S+ 0 0 56 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.868 132.6 18.1 -78.9 -44.9 36.9 -4.8 9.1 106 106 A M H X S- 0 0 50 -4,-2.8 4,-0.7 -5,-0.2 -3,-0.2 0.480 101.7-119.4-114.9 1.3 35.1 -1.8 8.0 107 107 A G H X - 0 0 33 -4,-2.6 4,-1.9 -5,-0.3 5,-0.2 0.192 37.5 -74.7 75.8 162.5 32.1 -1.4 10.4 108 108 A E H > S+ 0 0 55 1,-0.2 4,-3.1 2,-0.2 -1,-0.1 0.853 133.4 51.2 -51.9 -45.3 28.4 -1.5 9.6 109 109 A T H > S+ 0 0 113 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.898 106.5 52.3 -64.9 -39.8 28.6 2.0 8.1 110 110 A G H < S+ 0 0 35 -4,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.881 118.9 35.7 -63.5 -42.8 31.5 1.1 5.9 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-3.5 1,-0.2 -2,-0.2 0.855 101.4 70.4 -81.5 -39.1 29.6 -1.9 4.4 112 112 A D H 3< S+ 0 0 44 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.673 93.1 65.2 -54.3 -15.3 26.2 -0.5 4.4 113 113 A G T 3< S+ 0 0 57 -4,-0.5 -1,-0.3 -3,-0.5 3,-0.3 0.259 78.4 81.4 -85.3 0.2 27.8 1.6 1.6 114 114 A F X> + 0 0 28 -3,-3.5 4,-2.5 1,-0.2 3,-0.8 -0.088 58.1 148.1 -97.4 40.7 28.2 -1.4 -0.7 115 115 A T H 3> + 0 0 84 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.839 65.0 44.8 -39.5 -59.5 24.6 -1.1 -1.6 116 116 A N H 3> S+ 0 0 90 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.836 114.2 49.1 -61.2 -35.5 24.8 -2.4 -5.2 117 117 A S H <> S+ 0 0 1 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.868 108.8 54.3 -71.5 -37.7 26.9 -5.3 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 106.6 51.9 -60.1 -41.1 24.6 -6.2 -1.4 119 119 A R H X S+ 0 0 116 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.940 110.4 48.4 -63.3 -42.2 21.7 -6.2 -3.9 120 120 A M H <>S+ 0 0 28 -4,-1.7 5,-2.4 2,-0.2 4,-0.5 0.912 109.9 50.4 -65.0 -41.3 23.6 -8.6 -6.1 121 121 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.962 109.7 52.5 -64.2 -43.2 24.5 -10.9 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.876 108.9 49.4 -58.7 -37.5 20.9 -11.0 -2.2 123 123 A Q T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.513 113.5-123.4 -78.5 -6.7 20.0 -11.9 -5.7 124 124 A K T < 5 + 0 0 97 -3,-2.2 2,-1.4 -4,-0.5 -3,-0.2 0.763 61.4 146.5 68.8 29.4 22.6 -14.7 -5.7 125 125 A R >< + 0 0 121 -5,-2.4 4,-2.6 1,-0.2 -1,-0.2 -0.675 21.6 174.1 -96.4 77.4 24.4 -13.2 -8.7 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.878 68.5 45.8 -55.8 -51.7 27.8 -14.3 -7.4 127 127 A D H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 115.3 47.9 -63.0 -42.9 30.0 -13.5 -10.3 128 128 A E H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 111.2 50.2 -64.8 -42.4 28.5 -10.1 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.883 107.2 54.7 -62.7 -39.8 28.7 -9.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.923 110.4 46.7 -58.3 -46.5 32.4 -10.3 -7.1 131 131 A V H >< S+ 0 0 90 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.947 114.5 46.3 -62.7 -45.8 33.1 -7.9 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.899 107.5 56.8 -66.0 -38.8 31.2 -5.0 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.829 100.2 60.5 -59.5 -34.3 32.8 -5.6 -4.9 134 134 A A T << S+ 0 0 26 -4,-1.1 2,-1.4 -3,-0.6 -1,-0.2 0.595 85.8 78.7 -71.5 -14.1 36.2 -5.2 -6.5 135 135 A K S < S+ 0 0 151 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.619 80.3 100.2 -92.4 62.8 35.3 -1.6 -7.6 136 136 A S S > S- 0 0 16 -2,-1.4 4,-2.0 1,-0.1 5,-0.2 -0.994 83.4-120.0-147.5 155.3 36.0 -0.3 -4.2 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.903 114.4 62.5 -58.5 -41.3 38.5 1.6 -2.1 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.911 105.5 43.8 -48.7 -49.3 38.5 -1.5 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.887 113.7 50.7 -68.4 -41.5 39.8 -3.7 -2.7 140 140 A N H < S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.9 40.2 -65.4 -34.8 42.4 -1.2 -3.9 141 141 A Q H < S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.818 131.2 21.8 -82.2 -42.2 43.8 -0.8 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.588 73.0 161.5-128.9 67.6 43.8 -4.3 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.830 69.5 52.0 -58.1 -43.0 43.7 -6.3 -2.3 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.926 116.5 39.4 -64.5 -46.2 44.9 -9.7 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 114.9 52.3 -66.1 -48.1 42.3 -9.8 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.941 108.5 52.8 -57.0 -43.9 39.6 -8.4 -0.3 147 147 A K H X S+ 0 0 87 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.886 108.0 50.4 -58.3 -39.6 40.3 -11.1 -2.9 148 148 A R H X S+ 0 0 52 -4,-1.6 4,-1.5 2,-0.2 12,-0.2 0.945 114.1 43.5 -64.1 -45.1 40.0 -13.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.911 113.9 50.9 -64.4 -44.3 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.886 108.8 51.1 -60.0 -44.4 35.4 -11.9 -2.6 151 151 A T H X S+ 0 0 33 -4,-2.3 4,-2.4 -5,-0.3 6,-0.4 0.851 107.5 55.5 -61.0 -37.2 36.3 -15.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.907 110.2 42.6 -64.0 -43.4 34.4 -16.6 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.8 51.5 -70.3 -36.1 31.2 -14.7 -1.8 154 154 A R H < S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 123.8 23.7 -67.9 -41.0 31.8 -16.0 -5.4 155 155 A T H < S- 0 0 45 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.582 85.2-135.8-103.2 -21.7 32.2 -19.7 -4.5 156 156 A G S < S+ 0 0 16 -4,-1.8 2,-0.2 -5,-0.3 -62,-0.2 0.707 74.0 103.3 69.3 19.1 30.5 -20.2 -1.3 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.793 80.3-120.4-125.4 170.9 33.5 -22.3 -0.2 158 158 A W S >> S+ 0 0 33 -2,-0.2 3,-1.3 1,-0.2 4,-0.5 0.060 70.8 123.6 -96.7 23.7 36.5 -21.7 2.0 159 159 A D H >> + 0 0 97 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.821 65.1 56.6 -54.6 -38.9 39.0 -22.3 -0.8 160 160 A A H 34 S+ 0 0 12 -3,-0.3 4,-0.4 1,-0.3 -1,-0.2 0.704 112.9 42.5 -68.8 -17.1 40.8 -19.0 -0.5 161 161 A Y H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.427 95.6 76.6-105.9 -4.3 41.6 -19.7 3.1 162 162 A K H << S+ 0 0 131 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.681 92.3 58.0 -82.3 -15.0 42.6 -23.3 2.7 163 163 A N < 0 0 132 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.978 360.0 360.0 -60.4 -63.9 45.7 -22.2 1.3 164 164 A L 0 0 118 -4,-0.4 -2,-0.2 0, 0.0 -1,-0.1 0.500 360.0 360.0 -68.0 360.0 46.7 -20.2 4.4