==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-03 1OVJ . 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) . 8859.0 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 . 86 53.1 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 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 89 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 142.0 43.3 -2.0 9.0 2 2 A N > - 0 0 68 95,-0.0 4,-2.9 1,-0.0 5,-0.2 -0.928 360.0 -85.4-151.1 175.3 40.3 -0.7 10.9 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-3.9 1,-0.2 5,-0.2 0.862 122.4 52.3 -54.3 -41.8 38.2 2.5 11.4 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 112.6 41.9 -68.7 -43.3 40.5 3.7 14.2 5 5 A E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.909 116.5 53.0 -69.4 -37.8 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.3 0.976 113.1 39.7 -60.5 -58.6 41.9 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-3.9 4,-2.7 1,-0.2 5,-0.3 0.867 109.4 60.7 -60.3 -34.5 40.6 7.8 11.0 8 8 A R H X S+ 0 0 115 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 107.3 47.7 -61.0 -36.0 43.8 8.3 12.9 9 9 A I H < S+ 0 0 83 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.945 114.8 44.6 -67.6 -45.9 45.6 8.7 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.836 126.8 27.4 -69.3 -32.2 43.0 11.1 8.1 11 11 A E H < S- 0 0 44 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.552 92.3-156.7-103.4 -19.0 42.7 13.4 11.1 12 12 A G < - 0 0 24 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 0.016 25.2 -78.5 66.0-170.6 46.0 13.0 12.8 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.966 42.4 171.1-137.9 123.3 46.6 13.7 16.5 14 14 A R E -A 28 0A 123 14,-2.2 14,-2.3 -2,-0.4 4,-0.1 -0.997 20.0-166.6-131.7 131.3 47.0 17.0 18.4 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.541 74.8 65.2 -87.1 -11.7 47.1 17.5 22.1 16 16 A K E S-C 57 0B 91 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.818 100.7 -87.4-114.3 148.4 46.7 21.4 21.9 17 17 A I E + 0 0 8 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.326 58.9 176.5 -52.7 130.9 43.6 23.3 20.6 18 18 A Y E -A 26 0A 23 8,-3.5 8,-3.2 -4,-0.1 2,-0.5 -0.861 33.5-112.1-132.0 170.0 44.0 23.7 16.9 19 19 A K E -A 25 0A 128 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.832 35.0-142.9 -97.0 135.8 42.1 25.1 13.9 20 20 A D > - 0 0 51 4,-2.0 3,-2.2 -2,-0.5 -1,-0.0 -0.238 40.9 -75.9 -84.5-172.9 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.836 135.2 46.7 -52.9 -36.5 40.8 22.7 7.6 22 22 A E T 3 S- 0 0 84 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.444 123.0-102.2 -86.2 -2.7 37.6 24.9 7.9 23 23 A G S < S+ 0 0 33 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.511 75.5 137.2 93.7 12.6 39.1 27.2 10.7 24 24 A Y - 0 0 78 1,-0.1 -4,-2.0 -5,-0.0 -1,-0.3 -0.740 60.3-101.0-100.7 150.6 37.3 25.7 13.6 25 25 A Y E +AB 19 34A 29 9,-0.6 8,-3.6 11,-0.5 9,-1.4 -0.246 53.8 153.7 -63.1 128.5 38.6 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-3.5 6,-0.3 2,-0.3 -0.911 19.6-168.7-146.0 168.4 39.3 21.3 17.4 27 27 A I E > + B 0 31A 0 4,-2.0 4,-1.7 -2,-0.3 -12,-0.2 -0.963 50.5 8.7-152.4 171.4 41.5 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-2.2 -2,-0.3 2,-0.8 -0.345 122.3 -5.5 66.0-131.7 42.7 15.5 19.8 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.658 127.0 -54.8-108.0 73.3 41.8 13.2 16.9 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-0.8 -19,-0.4 -2,-0.2 0.638 84.7 161.1 67.7 25.4 39.6 15.5 14.9 31 31 A H E < -B 27 0A 31 -4,-1.7 -4,-2.0 1,-0.1 -1,-0.2 -0.564 34.0-139.5 -82.3 108.4 37.3 16.2 17.8 32 32 A L E -B 26 0A 74 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.407 21.4-178.3 -66.5 130.3 35.4 19.4 16.9 33 33 A L E - 0 0 16 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.865 58.5 -32.0 -96.1 -45.2 35.1 21.7 19.9 34 34 A T E -B 25 0A 30 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.970 33.7-134.6-167.1 159.2 33.0 24.6 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.653 75.5 105.0 -91.5 -22.1 32.3 26.6 15.4 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.196 73.1-134.1 -57.4 151.5 32.5 29.9 17.2 37 37 A P S S+ 0 0 112 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.502 75.9 108.0 -87.3 -0.7 35.6 31.9 16.6 38 38 A S >> - 0 0 61 1,-0.2 4,-1.8 2,-0.1 3,-1.0 -0.671 55.2-162.3 -79.9 104.7 35.9 32.6 20.4 39 39 A L H 3> S+ 0 0 57 -2,-0.9 4,-2.4 1,-0.3 5,-0.2 0.845 91.9 58.1 -53.6 -34.9 38.9 30.5 21.7 40 40 A N H 3> S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.879 101.8 53.2 -64.9 -33.1 37.6 30.9 25.1 41 41 A A H <> S+ 0 0 30 -3,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.860 109.2 51.3 -62.5 -40.0 34.4 29.3 24.1 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.908 106.8 51.7 -67.9 -38.0 36.5 26.5 22.8 43 43 A K H X S+ 0 0 48 -4,-2.4 4,-2.3 1,-0.2 11,-0.3 0.881 108.4 52.6 -70.7 -29.1 38.4 26.1 26.1 44 44 A S H X S+ 0 0 70 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.914 109.3 48.1 -69.4 -38.6 35.2 25.9 27.9 45 45 A E H X S+ 0 0 64 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.948 109.1 54.6 -65.2 -47.9 33.9 23.2 25.6 46 46 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.4 0.951 110.3 45.2 -48.0 -56.6 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 5,-1.9 0.844 111.4 53.7 -55.8 -40.9 36.8 21.5 29.9 48 48 A K H <5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.7 43.3 -60.9 -44.2 33.2 20.4 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.853 121.9 36.7 -78.4 -31.3 34.1 17.4 27.6 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.3 -1,-0.2 0.772 104.1-130.5 -91.0 -24.9 37.0 16.3 29.5 51 51 A G T <5S+ 0 0 59 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.2 0.932 74.5 71.3 77.8 49.4 35.6 17.3 32.8 52 52 A R S - 0 0 9 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.722 33.0-143.1 -90.8 -26.6 42.5 21.8 30.6 55 55 A N T 3 S- 0 0 124 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.976 74.2 -52.7 59.3 47.9 43.6 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.566 120.5 98.9 68.2 2.9 43.5 24.1 26.0 57 57 A V B < +C 16 0B 73 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.970 45.4 177.2-127.3 146.0 45.7 21.1 26.5 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.892 26.2-107.0-134.3 170.6 44.9 17.4 26.9 59 59 A T > - 0 0 61 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.322 30.4-112.6 -87.9 174.3 46.6 14.0 27.3 60 60 A K H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.870 119.3 49.0 -71.4 -38.9 46.9 11.2 24.8 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.861 112.0 49.7 -66.1 -39.0 44.6 8.9 26.8 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.932 110.9 49.4 -64.8 -51.7 42.1 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.3 -34,-0.4 0.891 112.5 47.9 -54.6 -47.1 42.4 12.4 23.2 64 64 A E H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.778 106.7 57.4 -68.2 -22.9 41.9 8.7 22.6 65 65 A K H X S+ 0 0 136 -4,-1.2 4,-2.1 -3,-0.3 5,-0.2 0.947 107.0 47.0 -68.8 -44.4 38.9 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.844 109.3 59.0 -58.9 -36.8 37.2 11.4 22.9 67 67 A F H X S+ 0 0 12 -4,-1.5 4,-3.2 -5,-0.2 5,-0.3 0.946 104.9 45.8 -61.0 -47.6 38.1 9.3 19.9 68 68 A N H X S+ 0 0 90 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.944 113.4 49.3 -58.7 -48.3 36.3 6.3 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.897 112.5 48.3 -62.0 -38.7 33.3 8.2 22.0 70 70 A D H X S+ 0 0 36 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.875 108.7 52.0 -72.3 -39.6 33.3 10.0 18.7 71 71 A V H X S+ 0 0 8 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.965 112.6 48.7 -61.2 -47.5 33.6 6.8 16.7 72 72 A D H X S+ 0 0 79 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.931 108.1 50.7 -52.8 -51.0 30.8 5.4 18.5 73 73 A A H X S+ 0 0 59 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.908 108.7 54.0 -58.5 -42.8 28.4 8.4 18.2 74 74 A A H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.973 109.9 43.1 -58.5 -54.2 28.9 8.5 14.6 75 75 A V H X S+ 0 0 26 -4,-2.3 4,-3.6 1,-0.3 5,-0.2 0.956 114.5 53.2 -58.1 -41.6 28.1 4.9 13.8 76 76 A R H X S+ 0 0 151 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.3 0.874 105.8 53.2 -57.7 -36.8 25.3 5.3 16.1 77 77 A G H X S+ 0 0 2 -4,-2.8 4,-1.1 -5,-0.2 3,-0.3 0.923 108.8 50.1 -67.1 -38.8 24.2 8.3 14.2 78 78 A I H >< S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.3 7,-0.4 0.959 107.8 52.3 -63.6 -44.3 24.2 6.3 11.0 79 79 A L H 3< S+ 0 0 69 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.777 109.5 49.6 -64.9 -24.9 22.2 3.6 12.4 80 80 A R H 3< S+ 0 0 179 -4,-1.3 2,-0.5 -3,-0.3 -1,-0.3 0.561 88.9 93.2 -89.4 -13.7 19.6 5.9 13.6 81 81 A N S+ 0 0 164 1,-0.1 4,-0.7 2,-0.1 -1,-0.2 0.915 120.4 42.7 -72.8 -38.9 18.0 7.2 4.9 84 84 A L H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.870 100.7 66.5 -70.7 -49.3 21.5 6.1 6.0 85 85 A K H X S+ 0 0 88 -4,-2.7 4,-2.8 -7,-0.4 5,-0.2 0.871 100.0 48.7 -44.3 -52.1 20.8 2.9 7.8 86 86 A P H > S+ 0 0 61 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.904 113.8 46.1 -63.2 -40.2 19.7 0.9 4.8 87 87 A V H >< S+ 0 0 9 -4,-0.7 3,-0.7 1,-0.2 4,-0.5 0.945 112.0 51.1 -67.2 -49.1 22.6 2.0 2.7 88 88 A Y H >< S+ 0 0 28 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.932 108.1 51.4 -54.8 -46.6 25.1 1.3 5.4 89 89 A D H 3< S+ 0 0 66 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 101.8 63.3 -68.4 -13.7 23.7 -2.2 6.1 90 90 A S T << S+ 0 0 37 -4,-0.8 -1,-0.3 -3,-0.7 2,-0.2 0.664 91.9 87.0 -85.1 -1.4 24.0 -3.0 2.4 91 91 A L S < S- 0 0 12 -3,-1.6 2,-0.1 -4,-0.5 31,-0.0 -0.593 77.3-114.9 -97.0 160.3 27.7 -2.6 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-2.4 1,-0.1 -1,-0.1 -0.223 45.9 -91.7 -76.1 171.4 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.823 121.0 48.1 -58.0 -37.9 32.8 -4.3 6.1 94 94 A V H >> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.965 111.0 49.6 -72.3 -46.6 35.5 -2.1 4.4 95 95 A R H 3> S+ 0 0 22 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.874 104.0 62.6 -56.8 -31.3 33.0 0.1 2.6 96 96 A R H 3X S+ 0 0 76 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.928 99.9 53.0 -58.5 -39.9 31.3 0.5 6.0 97 97 A C H S+ 0 0 70 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.704 133.4 50.4 -54.4 -29.4 25.0 13.2 9.5 109 109 A T H >> S+ 0 0 109 2,-0.2 4,-0.8 -3,-0.1 3,-0.8 0.988 102.2 52.1 -70.1 -80.6 24.0 16.3 7.8 110 110 A G H >< S+ 0 0 36 -4,-1.0 3,-0.7 1,-0.3 -2,-0.2 0.794 120.4 41.0 -29.5 -46.2 26.8 17.0 5.4 111 111 A V H >< S+ 0 0 7 -4,-2.6 3,-2.8 1,-0.2 -1,-0.3 0.880 93.4 76.1 -78.6 -41.4 26.3 13.5 4.3 112 112 A A H << S+ 0 0 44 -4,-1.3 -1,-0.2 -3,-0.8 3,-0.2 0.648 92.6 63.0 -48.0 -11.2 22.5 13.4 4.3 113 113 A G T << S+ 0 0 67 -4,-0.8 3,-0.3 -3,-0.7 -1,-0.3 0.314 78.4 82.4 -93.2 1.1 22.9 15.5 1.0 114 114 A F <> + 0 0 33 -3,-2.8 4,-3.0 1,-0.2 5,-0.2 -0.057 52.0 139.4 -99.6 34.2 24.8 12.8 -1.1 115 115 A T H > + 0 0 72 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.855 66.9 51.2 -43.5 -49.8 21.5 11.1 -2.0 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.926 113.8 44.9 -61.6 -45.1 22.5 10.3 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.917 110.1 55.4 -65.1 -39.2 25.7 8.8 -4.4 118 118 A L H X S+ 0 0 26 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.939 106.9 49.4 -58.7 -47.5 24.0 6.9 -1.7 119 119 A R H X S+ 0 0 135 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.904 111.4 49.6 -57.7 -44.2 21.7 5.4 -4.1 120 120 A M H <>S+ 0 0 33 -4,-2.1 5,-2.2 1,-0.2 4,-0.4 0.880 110.7 49.7 -64.0 -38.9 24.5 4.4 -6.3 121 121 A L H ><5S+ 0 0 5 -4,-3.1 3,-2.0 1,-0.2 -1,-0.2 0.951 107.5 53.8 -67.9 -40.2 26.4 2.9 -3.6 122 122 A Q H 3<5S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.883 108.8 50.1 -60.3 -33.1 23.3 1.0 -2.5 123 123 A Q T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.509 113.8-121.7 -81.7 -1.2 23.1 -0.4 -6.0 124 124 A K T < 5 + 0 0 103 -3,-2.0 2,-1.1 -4,-0.4 -3,-0.2 0.842 60.8 149.4 65.5 35.4 26.7 -1.4 -5.9 125 125 A R >< + 0 0 110 -5,-2.2 4,-2.8 1,-0.2 5,-0.3 -0.678 21.2 176.7 -99.5 70.5 27.6 0.8 -8.9 126 126 A W H > S+ 0 0 50 -2,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.897 70.2 43.0 -49.8 -55.0 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.886 114.8 50.6 -68.1 -31.4 32.6 3.4 -10.4 128 128 A E H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 109.6 49.1 -70.7 -42.1 29.5 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-4.3 1,-0.2 5,-0.3 0.868 109.2 54.9 -58.8 -39.3 29.2 6.4 -7.2 130 130 A A H X S+ 0 0 9 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.925 107.8 46.1 -65.1 -44.6 32.8 7.3 -7.1 131 131 A V H X S+ 0 0 94 -4,-1.7 4,-0.5 1,-0.2 3,-0.2 0.949 115.9 49.4 -62.8 -44.4 32.6 9.8 -10.0 132 132 A N H >< S+ 0 0 35 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.921 106.3 54.7 -54.9 -52.0 29.5 11.1 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-4.3 6,-0.4 1,-0.3 -1,-0.2 0.885 102.3 59.2 -55.1 -31.2 31.1 11.4 -5.0 134 134 A A H 3< S+ 0 0 23 -4,-1.5 2,-2.1 -5,-0.3 -1,-0.3 0.730 82.6 81.4 -73.8 -19.4 33.8 13.5 -6.5 135 135 A K S << S+ 0 0 167 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.2 -0.602 80.8 104.7 -84.3 71.1 31.5 16.2 -7.7 136 136 A S S > S- 0 0 15 -2,-2.1 4,-2.3 1,-0.1 5,-0.2 -0.997 82.9-123.4-152.9 156.0 31.4 17.8 -4.4 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.897 114.4 63.6 -65.5 -36.0 32.6 20.6 -2.3 138 138 A W H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 8,-0.2 0.925 106.3 40.2 -50.9 -51.5 33.9 17.8 -0.1 139 139 A Y H 4 S+ 0 0 73 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.974 116.6 49.9 -65.3 -46.5 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 114.5 44.5 -61.0 -35.4 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 110 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 132.2 15.7 -81.6 -41.1 38.0 21.2 -0.4 142 142 A T S X S+ 0 0 25 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 -0.522 72.4 162.1-130.6 77.5 39.9 18.2 0.9 143 143 A P H > + 0 0 46 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.815 67.4 57.8 -59.7 -44.0 40.9 16.2 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 -2,-0.1 0.991 117.0 34.5 -58.5 -53.9 43.7 14.0 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.961 115.7 54.1 -62.3 -50.1 41.5 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.937 107.0 55.6 -54.5 -36.7 38.4 12.5 -0.1 147 147 A K H X S+ 0 0 83 -4,-3.3 4,-2.3 1,-0.2 -1,-0.3 0.890 106.5 48.7 -57.8 -42.8 40.4 10.6 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.2 -3,-0.5 12,-0.2 0.906 113.0 46.9 -63.5 -43.2 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.849 112.9 49.2 -66.1 -38.9 37.7 7.5 1.0 150 150 A I H X S+ 0 0 12 -4,-2.6 4,-3.1 -5,-0.3 -1,-0.2 0.852 109.2 51.2 -69.2 -38.8 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 32 -4,-2.3 4,-2.0 -5,-0.3 6,-0.4 0.845 109.4 54.4 -66.3 -28.9 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.7 -5,-0.2 -2,-0.2 0.962 110.3 42.2 -71.4 -50.4 37.8 3.0 -0.5 153 153 A F H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.903 115.9 52.2 -63.5 -34.8 34.2 3.0 -1.6 154 154 A R H < S+ 0 0 101 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 122.3 24.9 -68.2 -39.4 35.2 2.1 -5.2 155 155 A T H < S- 0 0 51 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.672 82.1-137.5-102.1 -28.1 37.3 -0.8 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.7 2,-0.2 -5,-0.3 -62,-0.2 0.718 73.7 99.8 77.1 8.9 36.2 -2.3 -1.2 157 157 A T S S- 0 0 50 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.799 81.8-116.5-120.8 173.1 40.1 -2.8 -0.2 158 158 A W S >> S+ 0 0 48 -2,-0.2 3,-1.7 1,-0.2 4,-0.7 0.150 72.1 124.6 -94.5 19.7 42.5 -0.7 2.1 159 159 A D G >4 + 0 0 115 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.854 69.3 51.3 -46.1 -44.3 44.8 0.2 -0.9 160 160 A A G 34 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.681 109.6 49.3 -72.1 -18.7 44.6 3.9 -0.5 161 161 A Y G <4 0 0 7 -3,-1.7 -1,-0.3 1,-0.4 -2,-0.2 0.530 360.0 360.0 -97.2 -0.9 45.5 3.6 3.1 162 162 A K << 0 0 207 -3,-1.0 -1,-0.4 -4,-0.7 -2,-0.1 -0.479 360.0 360.0 72.3 360.0 48.3 1.4 1.9