==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-09 3HUK . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9114.0 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 1 0 0 0 0 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 A M 0 0 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 137.0 17.0 1.8 9.0 2 2 A N > - 0 0 69 95,-0.0 4,-2.6 92,-0.0 5,-0.2 -0.856 360.0 -80.7-149.5 176.8 20.2 0.9 10.8 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.840 126.2 51.1 -59.6 -35.7 22.3 -2.3 11.3 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 112.6 44.5 -67.5 -46.6 20.1 -3.6 14.1 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.883 114.3 51.7 -63.6 -38.6 16.9 -3.2 12.1 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.950 113.6 41.2 -63.4 -52.7 18.5 -4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.846 109.6 59.8 -68.0 -31.2 19.8 -7.8 10.8 8 8 A R H X S+ 0 0 107 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.909 108.5 45.6 -61.3 -41.4 16.6 -8.2 12.8 9 9 A I H < S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.942 117.8 42.6 -62.1 -48.6 14.8 -8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.808 124.7 32.9 -72.8 -30.0 17.3 -11.0 8.0 11 11 A E H < S- 0 0 38 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.675 92.2-151.8-101.3 -22.2 17.7 -13.1 11.2 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.179 22.1 -90.2 75.4-174.4 14.3 -13.0 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 44.7 165.7-140.9 118.8 13.6 -13.4 16.5 14 14 A R E -A 28 0A 142 14,-1.8 14,-2.4 -2,-0.4 4,-0.1 -1.000 22.8-159.8-134.9 133.9 12.9 -16.7 18.2 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.512 74.4 63.0 -95.7 -4.8 13.0 -17.3 21.9 16 16 A K E S-C 57 0B 143 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.887 100.9 -86.2-116.1 150.0 13.5 -21.1 21.9 17 17 A I E + 0 0 31 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.291 58.2 167.2 -52.7 132.8 16.5 -23.0 20.4 18 18 A Y E -A 26 0A 30 8,-2.6 8,-2.9 6,-0.1 2,-0.5 -0.894 37.9-100.4-140.1 168.4 16.0 -23.6 16.7 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.841 35.1-138.6 -97.0 133.3 18.1 -24.7 13.8 20 20 A D > - 0 0 44 4,-2.7 3,-2.0 -2,-0.5 -1,-0.1 0.029 42.2 -77.2 -74.2-172.2 19.5 -22.1 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.727 134.9 49.2 -61.6 -24.6 19.6 -22.3 7.6 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.347 123.4-103.4 -96.1 2.6 22.7 -24.6 7.9 23 23 A G S < S+ 0 0 39 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.584 75.6 139.9 85.9 13.3 21.0 -26.9 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.736 61.0-102.0 -98.9 137.7 22.9 -25.4 13.5 25 25 A Y E +A 19 0A 35 11,-0.4 8,-2.8 9,-0.4 9,-1.3 -0.323 54.8 160.1 -59.0 129.8 21.4 -24.7 16.9 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.6 6,-0.3 2,-0.3 -0.882 19.0-168.3-147.6 159.8 20.7 -21.0 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 2,-0.2 -0.973 51.3 5.7-150.3 165.3 18.6 -18.7 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.8 -2,-0.3 2,-0.9 -0.411 123.3 -7.9 72.6-130.4 17.4 -15.1 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.728 129.1 -50.7-105.9 75.0 18.3 -12.9 16.7 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.787 83.1 162.7 64.7 31.2 20.7 -15.3 14.8 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.8 -20,-0.1 2,-0.2 -0.711 31.1-144.8 -83.5 103.3 22.8 -16.1 17.8 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.479 18.4-176.4 -66.1 129.5 24.7 -19.3 16.8 33 33 A L - 0 0 13 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.868 57.7 -32.8 -93.7 -45.9 25.1 -21.6 19.8 34 34 A T - 0 0 32 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.972 35.0-130.5-168.7 156.8 27.2 -24.5 18.3 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.458 75.2 114.9 -93.2 -3.2 27.8 -26.5 15.2 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.385 67.5-140.4 -64.5 139.6 27.4 -29.7 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.528 77.1 102.3 -75.7 -4.4 24.4 -32.0 16.5 38 38 A D >> - 0 0 81 1,-0.2 4,-1.6 2,-0.0 3,-0.7 -0.723 60.7-159.1 -86.1 111.8 24.0 -32.5 20.2 39 39 A L H 3> S+ 0 0 67 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.839 93.6 59.3 -55.5 -35.8 21.1 -30.4 21.6 40 40 A N H 3> S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 102.5 52.1 -63.2 -35.9 22.7 -30.7 25.1 41 41 A A H <> S+ 0 0 30 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.901 110.3 48.8 -64.7 -40.3 25.9 -29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.899 109.5 51.7 -64.5 -42.0 23.7 -26.2 22.5 43 43 A K H X S+ 0 0 52 -4,-2.6 4,-2.4 2,-0.2 11,-0.3 0.885 108.9 51.3 -62.9 -38.3 21.9 -25.9 25.8 44 44 A S H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.932 109.6 49.5 -62.8 -47.7 25.2 -25.7 27.6 45 45 A E H X S+ 0 0 65 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.896 110.9 51.1 -58.2 -40.7 26.4 -22.9 25.3 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.938 109.3 48.5 -62.4 -48.2 23.2 -21.1 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.4 4,-2.4 1,-0.2 5,-0.9 0.888 112.7 49.2 -60.6 -40.1 23.4 -21.3 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.892 111.8 49.2 -63.2 -42.6 27.0 -20.1 29.5 49 49 A A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.862 120.9 33.8 -66.8 -37.7 26.0 -17.1 27.2 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.740 102.2-127.1 -92.0 -27.3 23.1 -16.0 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.724 78.3 72.1 83.2 24.1 24.7 -16.8 32.8 52 52 A R S - 0 0 10 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.631 31.2-145.8 -93.5 -18.3 17.8 -21.5 30.6 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.754 75.2 -51.7 42.2 37.1 16.8 -25.0 29.5 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.541 119.1 97.7 89.8 10.8 16.7 -23.8 25.9 57 57 A V B < +C 16 0B 74 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.993 43.2 176.1-134.9 134.5 14.4 -20.7 26.4 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.828 27.8-108.9-129.2 170.4 15.3 -17.0 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.524 33.1-108.6 -92.5 165.9 13.4 -13.7 27.1 60 60 A K H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 121.3 53.9 -59.1 -41.8 13.3 -11.0 24.4 61 61 A D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 109.5 47.9 -59.1 -44.0 15.6 -8.8 26.6 62 62 A E H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 110.7 51.1 -64.0 -42.6 18.1 -11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.914 110.8 49.1 -58.3 -43.8 17.9 -12.1 22.9 64 64 A E H X S+ 0 0 80 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.844 108.0 54.3 -68.8 -32.0 18.5 -8.4 22.4 65 65 A K H X S+ 0 0 136 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.944 109.4 46.4 -66.1 -47.4 21.5 -8.5 24.8 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.898 111.7 53.7 -58.2 -38.9 23.1 -11.3 22.8 67 67 A F H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.924 107.0 49.8 -64.1 -44.6 22.3 -9.4 19.6 68 68 A N H X S+ 0 0 92 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.934 114.2 46.0 -57.5 -46.2 24.0 -6.2 20.9 69 69 A Q H X S+ 0 0 100 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.909 113.2 49.6 -62.5 -42.1 27.1 -8.3 21.8 70 70 A D H X S+ 0 0 36 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.883 111.6 46.7 -69.7 -39.8 27.1 -10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.943 113.6 49.6 -65.3 -46.9 26.8 -6.9 16.3 72 72 A D H X S+ 0 0 107 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.934 112.9 46.8 -55.3 -50.2 29.6 -5.3 18.4 73 73 A A H X S+ 0 0 63 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.856 110.2 53.3 -63.3 -36.9 31.8 -8.3 18.0 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.948 112.8 43.1 -62.4 -49.9 31.1 -8.5 14.2 75 75 A V H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.916 115.1 48.7 -60.4 -49.1 32.1 -4.8 13.7 76 76 A R H X S+ 0 0 124 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.891 107.9 55.5 -63.9 -37.2 35.2 -5.1 15.9 77 77 A G H X S+ 0 0 12 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.898 105.5 52.6 -58.7 -43.3 36.2 -8.3 14.1 78 78 A I H >< S+ 0 0 4 -4,-1.8 3,-1.2 1,-0.2 7,-0.5 0.939 109.6 48.5 -56.6 -47.5 36.2 -6.4 10.8 79 79 A L H 3< S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.1 50.5 -66.8 -27.7 38.4 -3.7 12.3 80 80 A R H 3< S+ 0 0 182 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.3 0.509 92.0 91.3 -86.9 -5.2 40.8 -6.3 13.7 81 81 A N S+ 0 0 152 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.861 119.0 40.0 -82.8 -38.8 42.1 -7.6 4.9 84 84 A L H > S+ 0 0 17 -6,-0.2 4,-3.0 1,-0.1 3,-0.3 0.867 100.9 69.5 -82.1 -37.6 38.6 -6.3 5.9 85 85 A K H X S+ 0 0 98 -4,-2.9 4,-3.0 -7,-0.5 5,-0.2 0.889 99.1 46.6 -54.0 -51.9 39.5 -3.1 7.7 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.883 115.7 47.0 -61.7 -34.7 40.8 -1.0 4.7 87 87 A V H X S+ 0 0 8 -4,-0.6 4,-0.7 -3,-0.3 3,-0.5 0.952 113.6 47.9 -68.5 -48.2 37.7 -2.1 2.6 88 88 A Y H >< S+ 0 0 30 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.924 110.7 51.3 -55.4 -47.6 35.3 -1.3 5.5 89 89 A D H 3< S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.772 104.8 58.1 -65.7 -23.1 36.9 2.1 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.663 94.6 89.4 -77.0 -17.2 36.6 2.9 2.4 91 91 A L S << S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.7 31,-0.0 -0.443 76.8-118.2 -86.3 153.2 32.8 2.4 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.302 43.8 -92.6 -72.0 170.7 30.0 4.8 3.2 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -2,-0.1 0.809 122.6 48.6 -62.2 -36.1 27.7 4.2 6.2 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.3 62,-0.2 3,-0.6 0.945 112.6 46.7 -72.4 -47.0 25.0 2.2 4.4 95 95 A R H 3> S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.849 104.9 62.6 -64.8 -30.5 27.5 -0.1 2.6 96 96 A R H 3X S+ 0 0 77 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.876 100.0 54.7 -57.2 -37.8 29.2 -0.6 6.0 97 97 A C H S+ 0 0 74 1,-0.1 3,-1.4 2,-0.1 4,-0.2 0.445 103.1 94.5-110.9 -1.3 35.6 -14.4 8.9 109 109 A T T 3 S+ 0 0 144 -3,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.802 89.5 46.5 -65.9 -28.0 36.9 -17.9 7.8 110 110 A G T >> S+ 0 0 39 -4,-0.2 4,-0.9 1,-0.2 3,-0.9 0.246 75.4 113.2 -98.5 13.3 35.9 -17.4 4.1 111 111 A V G X4 S+ 0 0 21 -3,-1.4 3,-1.2 1,-0.3 7,-0.2 0.886 73.5 56.1 -52.3 -45.7 37.4 -13.9 3.8 112 112 A A G >4 S+ 0 0 76 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.836 100.0 60.0 -59.5 -34.3 40.0 -15.0 1.3 113 113 A G G <4 S+ 0 0 66 -3,-0.9 3,-0.4 1,-0.3 -1,-0.3 0.821 104.8 50.5 -60.4 -30.7 37.4 -16.5 -1.0 114 114 A F G S+ 0 0 63 -3,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.883 79.2 45.1 -50.7 -46.6 39.3 -11.3 -2.2 116 116 A N H > S+ 0 0 78 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.909 113.2 49.0 -70.0 -40.7 38.0 -10.3 -5.6 117 117 A S H > S+ 0 0 3 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 111.4 51.3 -59.5 -46.1 34.6 -9.0 -4.3 118 118 A L H X S+ 0 0 30 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.886 108.6 50.4 -60.2 -42.9 36.5 -7.0 -1.6 119 119 A R H X S+ 0 0 120 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.930 110.7 49.3 -60.9 -46.1 38.8 -5.4 -4.2 120 120 A M H <>S+ 0 0 42 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.882 110.9 50.4 -63.5 -38.5 35.9 -4.4 -6.4 121 121 A L H ><5S+ 0 0 4 -4,-2.4 3,-1.2 2,-0.2 -1,-0.2 0.927 110.4 48.8 -63.5 -45.2 34.1 -2.9 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 110.7 51.1 -63.5 -33.0 37.2 -0.9 -2.4 123 123 A Q T 3<5S- 0 0 88 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.535 111.8-125.5 -77.8 -7.3 37.5 0.3 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.2 2,-1.2 -4,-0.4 -3,-0.2 0.829 60.7 147.2 61.5 35.6 33.8 1.3 -5.9 125 125 A R >< + 0 0 123 -5,-2.5 4,-2.8 1,-0.2 -1,-0.2 -0.706 22.2 174.2 -95.3 77.2 33.0 -0.7 -8.9 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.859 67.6 44.6 -66.7 -43.6 29.6 -1.4 -7.5 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 116.5 48.2 -67.7 -41.6 27.8 -3.3 -10.3 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 111.4 50.0 -62.0 -45.1 30.9 -5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 -9,-0.2 -2,-0.2 0.918 109.5 52.0 -58.4 -44.6 31.2 -6.2 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.900 109.6 48.8 -61.5 -42.5 27.5 -7.2 -7.0 131 131 A V H X S+ 0 0 86 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.929 114.0 46.6 -60.5 -45.2 27.9 -9.6 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.893 106.6 57.6 -66.6 -39.7 31.0 -11.2 -8.2 133 133 A L H 3< S+ 0 0 1 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.819 101.5 56.9 -60.7 -32.3 29.3 -11.4 -4.8 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.8 -3,-0.3 -1,-0.3 0.637 85.1 82.3 -77.1 -14.9 26.5 -13.6 -6.3 135 135 A K S << S+ 0 0 159 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.520 81.7 98.2 -86.1 68.3 29.0 -16.1 -7.6 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.997 85.1-118.9-155.5 151.0 29.1 -17.8 -4.2 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.911 115.8 62.0 -55.4 -42.1 27.8 -20.6 -2.0 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.926 106.8 41.7 -48.8 -55.1 26.5 -17.8 0.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.934 115.2 50.1 -61.4 -48.6 24.2 -16.5 -2.6 140 140 A N H < S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.1 42.2 -62.1 -36.0 23.1 -19.9 -3.7 141 141 A Q H < S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 132.5 20.9 -83.2 -34.0 22.2 -21.1 -0.2 142 142 A T S X S+ 0 0 18 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 -0.576 75.6 158.9-129.3 69.6 20.5 -17.9 1.0 143 143 A P H > S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.856 70.1 50.1 -68.7 -36.3 19.5 -16.1 -2.3 144 144 A D H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.945 116.8 41.3 -70.7 -40.2 16.8 -13.8 -1.0 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.927 115.6 50.5 -66.6 -45.3 18.9 -12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.893 106.6 55.5 -61.0 -39.1 22.0 -12.3 -0.3 147 147 A K H X S+ 0 0 82 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.903 108.8 48.0 -57.8 -42.6 20.1 -10.3 -2.9 148 148 A R H X S+ 0 0 70 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.931 114.4 44.8 -63.3 -46.4 19.1 -7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.922 114.1 49.8 -66.3 -42.6 22.7 -7.5 1.1 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.907 108.1 52.6 -63.5 -41.5 24.1 -7.3 -2.5 151 151 A T H X S+ 0 0 37 -4,-2.6 4,-2.5 -5,-0.2 6,-0.4 0.880 108.8 52.1 -59.9 -36.9 21.5 -4.5 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.931 112.0 44.5 -64.9 -45.7 22.8 -2.6 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.848 116.0 48.8 -62.6 -37.1 26.4 -3.0 -1.5 154 154 A R H < S+ 0 0 102 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.900 126.6 21.0 -72.3 -40.3 25.4 -2.1 -5.1 155 155 A T H < S- 0 0 38 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.662 83.6-134.5-106.4 -23.0 23.4 1.1 -4.3 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.793 74.1 108.0 62.3 26.5 24.4 2.3 -0.9 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.825 79.8-122.6-124.4 169.3 20.6 2.7 -0.2 158 158 A W >> + 0 0 51 -2,-0.3 3,-2.2 1,-0.2 4,-1.2 0.100 69.8 124.0 -95.0 19.9 18.1 0.8 2.0 159 159 A D T 34 + 0 0 124 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.808 69.4 55.1 -54.0 -34.5 15.9 0.0 -1.0 160 160 A A T 34 S+ 0 0 33 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.618 115.8 37.4 -76.2 -11.2 16.0 -3.7 -0.4 161 161 A Y T <4 0 0 12 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.448 360.0 360.0-114.2 -7.0 14.8 -3.3 3.2 162 162 A K < 0 0 216 -4,-1.2 -1,-0.2 -3,-0.3 -4,-0.1 -0.398 360.0 360.0 53.3 360.0 12.4 -0.5 2.4