==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-97 229L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 12 7.4 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 A M 0 0 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.0 43.3 -1.8 9.3 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 3,-0.2 -0.918 360.0 -80.5-151.9 176.7 40.1 -0.8 10.9 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.825 125.1 51.8 -54.1 -37.7 37.9 2.4 11.4 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 112.4 42.8 -69.1 -45.0 40.0 3.6 14.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 113.8 54.4 -67.1 -35.5 43.3 3.3 12.4 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.3 0.965 111.8 41.8 -61.4 -53.9 41.7 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.867 108.7 60.2 -63.8 -35.5 40.4 7.9 11.1 8 8 A R H X S+ 0 0 95 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.914 108.2 46.1 -60.7 -36.4 43.7 8.3 13.0 9 9 A I H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.947 116.5 43.0 -68.2 -48.7 45.4 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.807 125.7 30.9 -69.2 -32.2 42.9 11.0 8.2 11 11 A E H < S- 0 0 46 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.668 91.8-155.0-100.6 -24.2 42.5 13.3 11.2 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.5 -1,-0.1 -0.135 25.4 -84.6 72.9-170.5 46.0 13.0 12.9 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.972 43.4 172.0-138.7 124.5 46.5 13.6 16.6 14 14 A R E -A 28 0A 138 14,-1.8 14,-2.4 -2,-0.4 4,-0.1 -0.999 19.5-162.3-133.7 132.2 47.0 17.0 18.3 15 15 A L E S+ 0 0 49 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.454 73.4 59.4 -93.3 -1.2 47.1 17.6 21.9 16 16 A K E S-C 57 0B 120 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.935 101.7 -82.5-124.2 150.7 46.5 21.4 22.0 17 17 A I E + 0 0 31 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.196 59.6 170.9 -48.6 137.6 43.5 23.3 20.6 18 18 A Y E -A 26 0A 22 8,-3.0 8,-3.5 -4,-0.1 2,-0.5 -0.909 35.2-105.7-141.8 169.3 44.0 23.7 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.846 34.4-138.6-101.1 135.8 41.9 25.0 13.9 20 20 A D > - 0 0 48 4,-2.9 3,-1.4 -2,-0.5 -1,-0.1 -0.016 40.3 -78.6 -77.8-171.4 40.6 22.4 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 135.2 48.0 -61.2 -25.9 40.5 22.6 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.442 124.2-104.0 -93.6 -4.5 37.4 24.8 7.9 23 23 A G S < S+ 0 0 36 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.604 74.2 142.2 90.7 15.0 39.1 27.0 10.5 24 24 A Y - 0 0 78 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.720 59.9-100.9 -96.3 145.7 37.1 25.6 13.5 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-2.9 11,-0.4 9,-1.2 -0.387 55.7 160.2 -62.6 124.2 38.5 24.9 17.0 26 26 A T E -AB 18 32A 2 -8,-3.5 -8,-3.0 6,-0.3 2,-0.3 -0.873 19.7-168.3-141.3 166.9 39.4 21.3 17.4 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.0 -2,-0.3 2,-0.2 -0.984 51.6 1.7-154.0 161.4 41.5 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-0.9 -0.440 122.6 -6.2 68.2-128.5 42.7 15.4 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.663 127.9 -51.9-106.9 74.0 41.7 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.730 83.5 160.1 69.8 24.3 39.4 15.4 14.9 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.5 1,-0.0 2,-0.2 -0.646 32.5-145.2 -81.7 102.1 37.2 16.3 17.9 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.466 17.6-175.3 -66.8 129.5 35.4 19.5 16.9 33 33 A L E - 0 0 16 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.895 58.1 -29.2 -91.7 -46.6 34.9 21.7 19.9 34 34 A T E -B 25 0A 29 -9,-1.2 -9,-0.7 2,-0.1 -1,-0.4 -0.956 35.4-134.8-167.9 152.8 32.8 24.6 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.526 74.5 113.9 -91.0 -6.3 32.1 26.5 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.324 72.6-132.3 -66.9 144.5 32.4 29.7 17.2 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.571 76.6 103.2 -75.0 -6.5 35.2 32.0 16.5 38 38 A S > - 0 0 49 1,-0.1 4,-1.9 -13,-0.0 5,-0.1 -0.694 55.4-161.5 -88.8 122.5 36.0 32.4 20.2 39 39 A L H > S+ 0 0 70 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.772 96.8 55.2 -66.5 -27.9 38.9 30.6 21.7 40 40 A N H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 105.0 51.7 -72.2 -41.0 37.4 31.1 25.1 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.904 111.4 48.9 -59.1 -39.1 34.3 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.900 109.8 50.7 -67.9 -41.3 36.5 26.5 22.7 43 43 A K H X S+ 0 0 61 -4,-2.5 4,-2.1 2,-0.2 11,-0.2 0.879 109.8 51.1 -65.6 -35.4 38.4 26.3 26.0 44 44 A S H X S+ 0 0 73 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.931 110.9 46.8 -68.3 -44.1 35.1 26.2 27.8 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 110.7 54.9 -63.7 -42.7 33.7 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.938 108.4 46.3 -57.4 -48.2 37.0 21.5 26.0 47 47 A D H X>S+ 0 0 33 -4,-2.1 4,-3.1 1,-0.2 5,-1.3 0.901 112.4 49.8 -62.9 -38.9 36.8 21.6 29.8 48 48 A K H <5S+ 0 0 144 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.886 111.8 49.9 -65.9 -38.9 33.2 20.5 29.9 49 49 A A H <5S+ 0 0 46 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.899 120.6 35.0 -67.1 -37.1 34.1 17.6 27.5 50 50 A I H <5S- 0 0 35 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.774 103.0-124.8 -89.3 -33.4 37.0 16.4 29.6 51 51 A G T <5S+ 0 0 66 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.787 77.4 68.3 92.5 27.4 35.8 17.2 33.1 52 52 A R S - 0 0 9 -2,-0.9 3,-0.7 -11,-0.2 -1,-0.2 0.750 34.2-142.3 -90.4 -31.5 42.5 21.9 30.9 55 55 A N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.886 73.6 -58.7 66.2 33.1 43.8 25.2 29.8 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.600 117.2 99.5 71.1 16.1 43.5 23.9 26.2 57 57 A V B < +C 16 0B 65 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.993 45.2 179.0-131.9 139.7 45.8 21.0 26.5 58 58 A I - 0 0 5 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.895 26.9-108.7-135.0 165.5 44.9 17.3 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.446 33.0-106.2 -91.2 173.0 46.8 14.1 27.4 60 60 A K H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 121.2 52.5 -62.6 -40.6 47.0 11.3 24.8 61 61 A D H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 108.4 51.2 -63.5 -37.2 44.7 9.1 26.9 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.912 109.2 51.0 -66.7 -41.0 42.1 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -34,-0.4 0.909 109.7 49.7 -62.6 -40.8 42.3 12.3 23.3 64 64 A E H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.832 107.4 54.7 -69.3 -29.4 41.7 8.6 22.8 65 65 A K H X S+ 0 0 137 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.935 109.1 46.3 -69.1 -42.6 38.8 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.888 111.5 54.7 -64.3 -37.4 37.1 11.5 23.1 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.939 106.5 48.6 -61.6 -48.5 37.9 9.5 19.9 68 68 A N H X S+ 0 0 91 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.927 112.4 50.1 -57.9 -43.5 36.2 6.4 21.1 69 69 A Q H X S+ 0 0 98 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.0 49.0 -61.1 -43.5 33.2 8.4 22.1 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.836 110.6 48.5 -66.8 -36.4 33.1 10.1 18.7 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.958 112.8 49.0 -68.9 -46.3 33.4 6.9 16.7 72 72 A D H X S+ 0 0 85 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.932 110.7 50.7 -54.2 -46.7 30.6 5.3 18.7 73 73 A A H X S+ 0 0 46 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.901 108.4 52.5 -60.0 -42.5 28.4 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.933 110.8 45.7 -61.2 -47.2 29.0 8.2 14.5 75 75 A V H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.944 114.1 49.5 -60.8 -44.9 27.9 4.6 14.2 76 76 A R H X S+ 0 0 108 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.903 109.5 51.6 -64.8 -35.0 25.0 5.1 16.4 77 77 A G H >X S+ 0 0 3 -4,-2.6 4,-0.8 -5,-0.3 3,-0.6 0.949 109.0 50.3 -66.2 -43.4 23.9 8.1 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 7,-0.4 0.946 109.1 52.5 -57.4 -44.9 24.1 6.1 11.2 79 79 A L H 3< S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.729 111.6 45.5 -67.0 -20.7 22.0 3.4 12.7 80 80 A R H << S+ 0 0 184 -4,-1.3 2,-0.6 -3,-0.6 -1,-0.3 0.425 91.6 97.6 -98.5 -5.8 19.3 5.8 13.7 81 81 A N S+ 0 0 115 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.844 119.8 40.6 -87.1 -33.2 18.5 7.4 5.1 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.5 -7,-0.1 3,-0.5 0.881 100.6 67.3 -82.4 -41.3 21.8 6.1 6.2 85 85 A K H X S+ 0 0 82 -4,-2.6 4,-2.8 -7,-0.4 5,-0.3 0.918 98.5 50.2 -50.3 -48.3 20.9 2.9 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.892 111.7 49.4 -64.1 -31.2 19.8 1.0 4.9 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-1.0 -3,-0.5 3,-0.4 0.955 111.4 48.5 -68.2 -49.4 22.9 2.0 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.913 109.3 53.4 -56.8 -43.0 25.1 0.9 5.8 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.834 107.3 52.9 -64.2 -30.3 23.3 -2.4 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.690 95.6 88.1 -79.4 -17.8 23.8 -3.1 2.5 91 91 A L S << S- 0 0 6 -4,-1.0 31,-0.0 -3,-0.8 30,-0.0 -0.482 76.3-113.7 -86.5 158.5 27.5 -2.6 2.5 92 92 A D > - 0 0 61 -2,-0.2 4,-2.0 1,-0.1 -1,-0.1 -0.208 45.5 -93.8 -72.0 169.6 30.5 -4.9 3.1 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.841 122.1 48.2 -60.7 -37.3 32.7 -4.3 6.2 94 94 A V H >> S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 3,-0.6 0.952 111.5 47.9 -68.0 -48.4 35.3 -2.1 4.4 95 95 A A H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.856 105.4 61.1 -63.0 -31.7 32.9 0.1 2.7 96 96 A R H 3X S+ 0 0 80 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.907 101.2 53.3 -61.5 -37.7 31.1 0.5 6.0 97 97 A A H S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.854 130.1 49.9 -56.2 -38.5 25.0 12.7 9.7 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.955 106.9 53.5 -67.1 -51.3 23.2 15.5 8.0 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.941 115.1 41.3 -48.1 -55.1 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.2 -1,-0.2 0.905 103.9 62.9 -63.0 -47.3 26.1 12.8 4.5 112 112 A A H 3< S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.710 96.6 64.2 -53.4 -21.9 22.4 12.0 4.3 113 113 A G T << S+ 0 0 58 -4,-1.1 2,-1.3 -3,-0.9 3,-0.3 0.482 74.7 87.0 -82.4 -2.3 22.3 14.8 1.6 114 114 A F <> + 0 0 39 -3,-2.7 4,-2.5 1,-0.2 3,-0.3 -0.300 57.8 157.8 -89.3 52.5 24.5 12.8 -0.9 115 115 A T H > + 0 0 87 -2,-1.3 4,-1.6 1,-0.3 -1,-0.2 0.853 63.2 46.2 -46.0 -49.6 21.3 11.3 -2.0 116 116 A N H > S+ 0 0 100 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.888 112.9 48.1 -67.8 -39.4 22.4 10.2 -5.4 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.865 108.5 56.0 -67.7 -37.9 25.7 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.908 106.9 49.5 -59.2 -43.9 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 149 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.930 110.9 49.2 -65.1 -40.8 21.6 5.2 -3.9 120 120 A M H <>S+ 0 0 35 -4,-1.9 5,-2.2 2,-0.2 4,-0.4 0.880 111.0 50.2 -66.7 -35.4 24.4 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.948 109.1 51.0 -67.7 -41.9 26.3 2.8 -3.2 122 122 A Q H 3<5S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.883 110.4 50.1 -60.9 -32.4 23.3 0.8 -2.1 123 123 A Q T 3<5S- 0 0 76 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.505 112.3-121.4 -83.2 -3.6 22.9 -0.6 -5.7 124 124 A K T < 5 + 0 0 98 -3,-1.7 2,-1.4 -4,-0.4 -3,-0.2 0.789 61.0 149.1 65.0 34.6 26.6 -1.6 -5.7 125 125 A R >< + 0 0 99 -5,-2.2 4,-2.6 1,-0.2 5,-0.2 -0.663 21.5 175.5 -93.7 72.3 27.4 0.6 -8.7 126 126 A W H > + 0 0 63 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.899 68.0 41.8 -50.0 -55.4 30.9 1.2 -7.5 127 127 A D H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 115.6 50.5 -66.3 -37.0 32.5 3.2 -10.3 128 128 A E H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 109.6 50.4 -68.1 -39.3 29.4 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.889 107.5 54.7 -63.2 -36.1 29.2 6.1 -7.2 130 130 A A H X S+ 0 0 16 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.911 109.3 47.1 -64.7 -40.7 32.9 7.1 -7.1 131 131 A V H X S+ 0 0 94 -4,-2.0 4,-0.6 2,-0.2 3,-0.3 0.943 114.1 46.6 -66.0 -47.1 32.4 9.5 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.924 107.5 57.0 -62.5 -41.8 29.3 11.1 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-3.2 6,-0.4 1,-0.3 -1,-0.2 0.855 101.4 59.1 -58.7 -31.9 31.0 11.3 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.2 2,-1.7 -3,-0.3 -1,-0.3 0.666 84.8 79.3 -73.5 -17.6 33.7 13.4 -6.4 135 135 A K S << S+ 0 0 164 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.584 81.0 97.1 -89.9 73.8 31.3 16.1 -7.7 136 136 A S S > S- 0 0 19 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.994 84.9-115.9-156.3 157.7 31.1 17.7 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.920 114.8 63.4 -62.7 -39.6 32.4 20.5 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.931 106.4 42.0 -48.1 -52.9 33.8 17.8 0.1 139 139 A Y H 4 S+ 0 0 54 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.8 50.7 -66.1 -39.0 36.1 16.4 -2.6 140 140 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.824 115.8 41.3 -71.8 -26.4 37.1 19.9 -3.8 141 141 A Q H < S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.867 132.5 20.3 -86.9 -40.2 38.0 21.1 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.580 73.6 161.5-130.1 72.6 39.8 18.0 0.9 143 143 A P H > + 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.837 70.0 51.3 -61.9 -40.4 40.7 16.1 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.941 115.6 41.1 -68.3 -42.7 43.4 13.7 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 114.8 51.9 -66.8 -44.9 41.2 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -8,-0.2 5,-0.2 0.931 107.3 53.3 -59.3 -42.0 38.2 12.3 -0.2 147 147 A K H X S+ 0 0 91 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.904 108.5 50.6 -59.7 -39.2 40.1 10.2 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.7 4,-1.8 2,-0.2 12,-0.2 0.937 113.3 44.0 -64.3 -45.5 41.1 7.8 -0.0 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.938 113.5 51.1 -64.1 -44.9 37.5 7.3 1.1 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.910 110.0 50.1 -58.1 -42.1 36.2 7.1 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.869 106.6 56.5 -65.5 -35.1 38.8 4.4 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.910 111.1 41.1 -63.9 -46.1 37.8 2.5 -0.2 153 153 A F H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.938 116.0 52.4 -65.2 -45.6 34.1 2.3 -1.3 154 154 A R H < S+ 0 0 101 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.870 123.3 23.6 -58.5 -46.4 35.1 1.6 -4.9 155 155 A T H < S- 0 0 52 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.607 89.0-134.5 -99.0 -16.6 37.4 -1.3 -4.3 156 156 A G S < S+ 0 0 23 -4,-1.9 2,-0.3 -5,-0.3 -62,-0.2 0.757 73.8 101.7 65.8 22.6 36.2 -2.6 -0.9 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.857 79.8-121.0-130.1 172.2 39.9 -2.8 0.2 158 158 A W S >> S+ 0 0 41 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.105 70.4 122.2 -97.3 18.0 42.2 -0.7 2.4 159 159 A D G >4 + 0 0 101 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.789 65.4 58.9 -55.9 -29.4 44.7 -0.1 -0.3 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.681 107.8 50.0 -73.8 -14.7 44.4 3.7 -0.2 161 161 A Y G <4 0 0 18 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.503 360.0 360.0-101.8 -3.3 45.5 3.5 3.3 162 162 A K << 0 0 172 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.866 360.0 360.0 -98.7 360.0 48.5 1.3 2.9