==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-02 1LGX . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.Q.WEI,W.A.BAASE,L.H.WEAVER,B.W.MATTHEWS,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8796.0 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 . 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 . 85 52.5 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 1 2 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 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 83 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.6 43.3 -1.8 9.1 2 2 A N > - 0 0 71 95,-0.0 4,-2.4 92,-0.0 5,-0.2 -0.894 360.0 -86.4-146.4 175.3 40.2 -0.8 11.1 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.825 123.3 53.1 -55.3 -43.4 38.2 2.4 11.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 111.6 43.8 -63.9 -44.6 40.4 3.8 14.2 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.861 115.0 51.7 -65.9 -38.9 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.961 114.7 38.9 -65.1 -55.6 42.0 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.877 111.2 60.1 -65.3 -31.1 40.6 7.9 10.9 8 8 A R H X S+ 0 0 101 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.921 107.0 47.1 -62.9 -33.4 43.7 8.2 12.9 9 9 A I H < S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.886 115.7 44.9 -71.5 -38.7 45.6 8.5 9.6 10 10 A D H < S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 123.2 31.7 -75.3 -32.1 43.1 11.0 8.2 11 11 A E H < S- 0 0 44 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.595 92.0-152.6-101.2 -18.0 42.7 13.4 11.2 12 12 A G < - 0 0 26 -4,-1.2 2,-0.4 -5,-0.4 -1,-0.1 -0.146 26.0 -86.4 65.8-170.9 46.2 13.1 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.988 43.9 171.1-136.8 126.3 46.6 13.7 16.5 14 14 A R E -A 28 0A 138 14,-1.7 14,-2.2 -2,-0.4 4,-0.1 -0.997 21.0-163.3-138.5 131.8 47.1 16.9 18.4 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.8 12,-0.2 2,-0.3 0.459 73.9 65.9 -91.6 -1.7 47.1 17.6 22.0 16 16 A K E S-C 57 0B 112 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.902 99.7 -86.9-120.6 141.8 46.7 21.4 21.9 17 17 A I E + 0 0 11 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.211 58.2 173.2 -46.5 135.3 43.7 23.3 20.6 18 18 A Y E -A 26 0A 21 8,-3.4 8,-3.4 -4,-0.1 2,-0.4 -0.924 34.5-109.5-138.6 171.0 44.0 23.8 16.8 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.833 34.9-139.2-102.1 137.5 42.0 25.1 13.9 20 20 A D > - 0 0 47 4,-2.4 3,-2.4 -2,-0.4 -1,-0.0 -0.185 41.1 -77.8 -84.9-173.0 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.759 136.7 46.6 -58.7 -22.4 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 86 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.489 122.9-106.6 -93.8 -4.8 37.7 24.9 7.9 23 23 A G S < S+ 0 0 33 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.648 72.4 138.0 86.3 29.4 39.2 27.0 10.7 24 24 A Y - 0 0 69 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.800 61.2 -94.3-108.4 151.9 37.3 25.7 13.6 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-3.7 11,-0.4 9,-1.3 -0.345 56.6 153.5 -64.4 128.6 38.5 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-3.4 -8,-3.4 6,-0.3 2,-0.3 -0.906 19.3-168.6-145.1 171.2 39.4 21.3 17.4 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 -12,-0.2 -0.963 50.9 5.1-158.8 167.0 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.7 -2,-0.3 2,-0.9 -0.331 123.0 -3.8 62.7-125.9 42.9 15.5 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.611 127.9 -54.4-103.2 67.7 41.9 13.2 16.9 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-0.9 -19,-0.4 -2,-0.2 0.745 84.3 161.4 69.7 27.5 39.6 15.5 14.9 31 31 A H E < -B 27 0A 31 -4,-2.3 -4,-1.7 -20,-0.1 -1,-0.2 -0.656 32.2-142.7 -85.7 109.3 37.4 16.3 17.8 32 32 A L E -B 26 0A 76 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.461 19.6-177.7 -69.5 130.5 35.5 19.5 16.9 33 33 A L E - 0 0 14 -8,-3.7 2,-0.3 1,-0.4 -7,-0.2 0.854 59.0 -28.1 -96.6 -45.1 35.0 21.7 19.8 34 34 A T E -B 25 0A 31 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.975 37.3-135.2-163.7 157.3 33.0 24.6 18.5 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.526 75.2 108.1 -95.0 -6.8 32.3 26.5 15.3 36 36 A S S S- 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.395 73.4-132.5 -70.3 150.6 32.6 29.8 17.1 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.465 75.0 106.6 -82.8 1.6 35.6 32.0 16.6 38 38 A S > - 0 0 62 1,-0.2 4,-2.4 2,-0.0 3,-0.4 -0.725 54.7-160.6 -89.6 116.6 36.1 32.5 20.4 39 39 A L H > S+ 0 0 57 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.819 94.4 57.5 -56.7 -38.1 39.0 30.7 21.8 40 40 A N H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.880 104.6 50.5 -66.7 -35.1 37.5 31.1 25.2 41 41 A A H > S+ 0 0 35 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.940 110.4 51.2 -66.0 -42.7 34.4 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.922 109.6 48.0 -58.5 -45.4 36.5 26.6 22.7 43 43 A K H X S+ 0 0 44 -4,-2.5 4,-2.6 2,-0.2 11,-0.3 0.884 111.2 51.1 -68.4 -28.8 38.4 26.1 26.0 44 44 A S H X S+ 0 0 72 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.923 110.6 49.3 -67.5 -46.7 35.2 26.0 28.0 45 45 A E H X S+ 0 0 68 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.929 110.3 51.1 -61.1 -44.7 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.939 109.4 49.9 -59.0 -47.4 37.1 21.4 26.0 47 47 A D H X>S+ 0 0 36 -4,-2.6 4,-2.7 1,-0.2 5,-1.6 0.872 110.8 50.0 -57.4 -40.6 36.8 21.6 29.8 48 48 A K H <5S+ 0 0 145 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.881 111.4 48.5 -63.4 -44.1 33.3 20.4 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.916 120.5 35.5 -66.6 -39.3 34.2 17.5 27.4 50 50 A I H <5S- 0 0 35 -4,-2.5 -2,-0.2 2,-0.3 -1,-0.2 0.748 102.9-124.6 -86.5 -31.4 37.1 16.4 29.6 51 51 A G T <5S+ 0 0 63 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.904 77.9 62.7 88.5 39.8 35.7 17.1 32.9 52 52 A R S - 0 0 8 -2,-0.8 3,-1.3 -11,-0.3 -1,-0.2 0.642 32.6-143.4 -95.3 -28.2 42.5 21.7 30.7 55 55 A N T 3 S- 0 0 123 1,-0.3 -2,-0.1 -12,-0.2 3,-0.1 0.919 72.1 -55.6 60.8 43.0 43.7 25.1 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.546 120.4 94.6 71.6 4.3 43.6 24.1 26.0 57 57 A V B < +C 16 0B 72 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.975 47.5 178.1-129.4 142.1 45.8 21.1 26.4 58 58 A I - 0 0 4 -43,-2.8 2,-0.2 -2,-0.4 -30,-0.1 -0.854 28.0-102.3-132.6 175.7 45.0 17.4 27.0 59 59 A T > - 0 0 58 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.514 32.0-111.9 -91.9 164.0 46.7 14.1 27.4 60 60 A K H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.889 120.1 51.3 -59.1 -37.2 46.9 11.3 24.7 61 61 A D H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 109.3 49.9 -65.9 -41.4 44.7 9.1 26.8 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 110.9 50.0 -63.3 -43.9 42.2 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -34,-0.4 0.920 110.9 49.1 -64.2 -40.0 42.4 12.3 23.2 64 64 A E H X S+ 0 0 74 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.818 107.9 54.3 -68.9 -27.7 41.9 8.6 22.7 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.938 108.0 48.5 -68.2 -47.7 38.9 8.7 25.0 66 66 A L H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.911 110.0 54.3 -56.5 -39.6 37.3 11.4 23.0 67 67 A F H X S+ 0 0 10 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.929 106.2 50.3 -64.1 -43.1 38.0 9.5 19.8 68 68 A N H X S+ 0 0 92 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.949 112.5 46.6 -60.3 -44.0 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.901 112.7 50.8 -69.1 -32.3 33.2 8.2 22.0 70 70 A D H X S+ 0 0 33 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.891 109.3 49.0 -74.9 -28.8 33.2 10.1 18.7 71 71 A V H X S+ 0 0 9 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.925 112.9 50.3 -69.5 -43.6 33.5 6.9 16.6 72 72 A D H X S+ 0 0 80 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.962 109.2 48.6 -54.8 -51.1 30.8 5.4 18.6 73 73 A A H X S+ 0 0 62 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.905 108.5 55.9 -59.5 -39.9 28.5 8.4 18.2 74 74 A A H X S+ 0 0 12 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.966 110.3 42.4 -59.8 -52.0 29.1 8.4 14.4 75 75 A V H X S+ 0 0 30 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.898 114.2 51.8 -59.9 -43.9 28.1 4.8 13.9 76 76 A R H X S+ 0 0 137 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.927 106.0 55.2 -60.7 -40.8 25.2 5.2 16.1 77 77 A G H X S+ 0 0 12 -4,-3.1 4,-1.0 -5,-0.3 -1,-0.2 0.933 108.6 50.1 -58.7 -36.4 24.1 8.4 14.2 78 78 A I H >< S+ 0 0 4 -4,-1.9 3,-0.9 -5,-0.2 7,-0.6 0.968 109.3 48.0 -65.2 -46.9 24.1 6.2 11.1 79 79 A L H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.681 111.5 51.6 -69.6 -19.9 22.0 3.5 12.5 80 80 A R H 3< S+ 0 0 205 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.573 90.9 90.4 -92.0 -16.3 19.5 5.9 13.8 81 81 A N > S+ 0 0 9 -6,-0.2 4,-2.6 -7,-0.1 3,-0.9 0.919 100.1 67.4 -80.4 -53.8 21.4 6.1 6.0 85 85 A K H 3X S+ 0 0 79 -4,-2.5 4,-2.9 -7,-0.6 5,-0.2 0.850 99.0 49.2 -40.8 -54.2 20.8 2.8 7.8 86 86 A P H 3> S+ 0 0 58 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.843 113.8 47.0 -63.4 -30.7 19.7 0.9 4.8 87 87 A V H X> S+ 0 0 5 -3,-0.9 4,-0.7 -4,-0.4 3,-0.5 0.941 112.9 48.3 -73.4 -50.2 22.6 1.9 2.7 88 88 A Y H >< S+ 0 0 27 -4,-2.6 3,-1.2 1,-0.2 -3,-0.2 0.932 109.0 53.1 -53.6 -43.4 25.1 1.3 5.4 89 89 A D H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.794 102.9 59.8 -72.3 -15.3 23.6 -2.2 6.1 90 90 A S H << S+ 0 0 39 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.664 93.0 89.3 -80.7 -11.7 23.9 -3.1 2.4 91 91 A L S << S- 0 0 9 -3,-1.2 2,-0.0 -4,-0.7 31,-0.0 -0.532 76.9-116.7 -90.0 160.6 27.7 -2.6 2.4 92 92 A D > - 0 0 57 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.184 42.9 -92.4 -80.2 173.0 30.6 -4.9 3.1 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.859 120.1 47.7 -60.9 -43.6 32.9 -4.2 6.0 94 94 A V H >> S+ 0 0 28 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.949 112.7 48.3 -66.1 -46.6 35.6 -2.2 4.4 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.808 103.7 63.2 -62.6 -26.0 33.1 0.1 2.7 96 96 A R H 3X S+ 0 0 78 -4,-1.7 4,-2.0 2,-0.2 -1,-0.3 0.877 99.6 53.9 -67.6 -30.4 31.4 0.5 6.0 97 97 A C H > S+ 0 0 117 2,-0.2 3,-0.8 -3,-0.1 4,-0.6 0.914 103.9 48.6 -75.7 -54.3 23.9 16.3 7.9 110 110 A G H >< S+ 0 0 29 -4,-1.0 3,-0.8 1,-0.2 -2,-0.2 0.930 115.9 46.8 -52.9 -48.4 26.8 16.8 5.5 111 111 A V G >< S+ 0 0 5 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.524 93.4 73.0 -74.9 -14.5 26.3 13.3 4.2 112 112 A A G <4 S+ 0 0 37 -3,-0.8 3,-0.3 -4,-0.5 -1,-0.2 0.732 88.8 63.8 -77.0 -16.8 22.5 13.3 3.8 113 113 A G G << S+ 0 0 69 -3,-0.8 3,-0.3 -4,-0.6 -1,-0.2 0.311 81.6 83.2 -83.0 2.1 22.9 15.6 0.6 114 114 A F <> + 0 0 26 -3,-0.9 4,-3.1 1,-0.2 5,-0.3 -0.004 54.6 135.5 -94.3 27.2 24.8 12.7 -1.0 115 115 A T H > + 0 0 62 -3,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.856 67.0 46.8 -47.2 -49.6 21.5 11.2 -2.0 116 116 A N H > S+ 0 0 112 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.926 115.5 46.3 -63.1 -40.4 22.4 10.4 -5.5 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 108.8 57.2 -66.7 -36.5 25.7 8.8 -4.4 118 118 A L H X S+ 0 0 15 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.885 106.2 49.8 -61.7 -39.0 23.9 7.0 -1.7 119 119 A R H X S+ 0 0 76 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.912 109.4 50.2 -67.9 -36.4 21.7 5.4 -4.1 120 120 A M H <>S+ 0 0 40 -4,-1.9 5,-2.5 1,-0.2 4,-0.2 0.882 110.4 49.6 -69.8 -37.3 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.916 108.9 53.5 -65.8 -40.3 26.4 2.8 -3.5 122 122 A Q H 3<5S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.890 109.8 46.6 -61.0 -37.6 23.3 1.0 -2.5 123 123 A Q T 3<5S- 0 0 107 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.456 115.2-120.7 -82.8 -0.7 22.9 -0.4 -6.0 124 124 A K T < 5 + 0 0 100 -3,-1.6 2,-1.3 -4,-0.2 -3,-0.2 0.777 60.4 150.4 64.8 34.1 26.6 -1.3 -5.8 125 125 A R >< + 0 0 103 -5,-2.5 4,-2.8 1,-0.2 5,-0.2 -0.646 19.9 175.9 -92.6 76.2 27.5 0.8 -8.9 126 126 A W H > S+ 0 0 51 -2,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.845 70.1 41.9 -56.8 -51.0 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.944 116.2 50.4 -69.2 -40.5 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 110.8 48.0 -61.2 -47.0 29.6 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.882 108.5 56.0 -59.0 -39.2 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 4 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.901 108.6 46.2 -64.0 -41.8 33.0 7.2 -7.2 131 131 A V H X S+ 0 0 83 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.934 113.9 49.2 -65.4 -44.3 32.6 9.7 -10.0 132 132 A N H >< S+ 0 0 33 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.957 107.1 54.6 -60.5 -43.3 29.5 11.2 -8.4 133 133 A L H 3< S+ 0 0 1 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.902 101.6 59.4 -61.9 -28.5 31.1 11.6 -5.0 134 134 A A H 3< S+ 0 0 25 -4,-1.2 2,-2.1 -5,-0.2 -1,-0.3 0.766 85.9 81.1 -74.3 -19.7 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 160 -3,-1.3 2,-0.3 -4,-0.8 -1,-0.2 -0.454 80.6 91.1 -83.5 67.7 31.5 16.1 -7.7 136 136 A S S > S- 0 0 21 -2,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.999 86.2-112.1-158.1 162.0 31.3 17.9 -4.5 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.875 115.2 63.3 -61.9 -41.0 32.6 20.6 -2.3 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.940 106.8 41.3 -52.4 -50.8 33.9 17.9 0.0 139 139 A Y H 4 S+ 0 0 72 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 116.6 49.5 -67.9 -38.5 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.806 115.2 43.6 -66.9 -33.4 37.3 20.1 -3.9 141 141 A Q H < S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 132.2 18.0 -80.1 -37.1 38.1 21.3 -0.3 142 142 A T S X S+ 0 0 24 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 -0.435 73.1 160.5-134.7 69.6 39.9 18.2 0.9 143 143 A P H > + 0 0 46 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.797 68.9 53.9 -57.4 -43.6 40.9 16.3 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.942 116.7 38.6 -65.3 -41.8 43.7 14.1 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 -3,-0.2 3,-0.3 0.946 115.8 51.5 -67.6 -52.0 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.899 105.8 57.0 -54.7 -38.5 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 89 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.896 107.2 48.9 -59.9 -40.7 40.5 10.6 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.922 113.6 44.5 -63.9 -44.9 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.908 113.0 52.3 -67.6 -42.6 37.7 7.5 1.0 150 150 A I H X S+ 0 0 15 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.869 109.9 48.0 -58.1 -45.2 36.4 7.4 -2.6 151 151 A T H X S+ 0 0 51 -4,-2.4 4,-2.5 -5,-0.2 6,-0.4 0.815 108.4 55.9 -65.8 -33.6 38.9 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.911 111.9 41.4 -62.9 -47.8 37.9 2.9 -0.4 153 153 A F H < S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 115.3 52.2 -67.3 -34.7 34.3 2.9 -1.5 154 154 A R H < S+ 0 0 88 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.907 123.9 23.5 -67.2 -39.2 35.2 2.2 -5.2 155 155 A T H < S- 0 0 59 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.598 84.6-136.0-103.8 -18.7 37.3 -0.9 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.1 2,-0.2 -5,-0.3 -62,-0.2 0.777 73.8 99.7 64.9 20.4 36.2 -2.3 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.800 80.6-118.0-129.5 171.8 40.0 -2.7 -0.2 158 158 A W S >> S+ 0 0 50 -2,-0.2 3,-2.0 1,-0.2 4,-0.6 0.152 71.3 122.4 -93.8 18.6 42.4 -0.7 2.0 159 159 A D G >4 + 0 0 120 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.855 68.1 56.3 -52.5 -32.9 44.8 0.0 -0.8 160 160 A A G 34 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.726 108.3 48.6 -75.7 -14.3 44.6 3.8 -0.5 161 161 A Y G <4 0 0 7 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.484 360.0 360.0-100.6 -0.6 45.7 3.5 3.1 162 162 A K << 0 0 215 -3,-1.2 -1,-0.3 -4,-0.6 -4,-0.1 -0.499 360.0 360.0 68.0 360.0 48.5 1.2 2.0