==== 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(O-GLYCOSYL) 21-JAN-92 1L86 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.E.ERIKSSON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.6 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 3 0 0 1 2 0 0 1 1 1 0 0 0 0 0 1 0 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 138.7 43.6 -1.9 8.7 2 2 A N > - 0 0 69 95,-0.0 4,-2.3 92,-0.0 5,-0.2 -0.893 360.0 -90.3-141.7 168.7 40.5 -0.9 10.6 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.841 122.2 53.3 -52.9 -39.6 38.3 2.2 10.9 4 4 A F H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.960 112.7 40.6 -63.8 -54.0 40.4 3.5 13.8 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.835 114.2 55.9 -62.3 -33.5 43.7 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.936 111.8 41.5 -64.6 -46.3 42.1 4.6 8.9 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.853 108.5 59.3 -69.7 -38.0 40.8 7.8 10.6 8 8 A R H X S+ 0 0 100 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.839 108.2 47.5 -60.9 -28.4 43.9 8.3 12.6 9 9 A I H < S+ 0 0 88 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.4 44.9 -78.3 -40.0 45.7 8.5 9.2 10 10 A D H < S+ 0 0 19 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.806 125.4 28.0 -73.8 -31.6 43.2 10.9 7.8 11 11 A E H < S- 0 0 42 -4,-2.6 19,-0.3 1,-0.2 -3,-0.2 0.766 91.7-151.6-105.2 -27.8 42.9 13.3 10.7 12 12 A G < - 0 0 21 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.2 -0.267 24.4 -84.8 80.9-170.0 46.2 13.1 12.5 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -2,-0.1 16,-0.2 -0.974 42.6 173.8-140.0 122.9 46.8 13.6 16.1 14 14 A R E -A 28 0A 130 14,-1.2 14,-1.9 -2,-0.4 4,-0.1 -0.999 19.5-163.5-135.4 125.9 47.3 17.0 17.8 15 15 A L E S+ 0 0 70 -2,-0.4 43,-1.7 12,-0.2 2,-0.4 0.318 74.0 62.7 -88.9 6.1 47.5 17.7 21.4 16 16 A K E S-C 57 0B 107 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.977 98.2 -89.0-134.8 144.3 46.9 21.4 21.2 17 17 A I E + 0 0 18 39,-1.9 2,-0.3 -2,-0.4 10,-0.2 -0.177 58.2 167.2 -50.0 139.9 43.9 23.3 20.0 18 18 A Y E -A 26 0A 27 8,-2.7 8,-3.3 6,-0.1 2,-0.4 -0.931 36.0-103.4-148.9 172.0 44.2 24.0 16.3 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.838 30.8-140.0-104.4 143.3 42.2 25.1 13.4 20 20 A D > - 0 0 50 4,-1.7 3,-1.6 -2,-0.4 -1,-0.1 -0.197 41.1 -82.2 -85.4-176.5 40.9 22.7 10.9 21 21 A T T 3 S+ 0 0 101 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.712 132.7 49.3 -58.1 -28.3 40.8 23.2 7.1 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.479 124.9-102.9 -87.2 -13.4 37.6 25.2 7.4 23 23 A G S < S+ 0 0 35 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.321 73.1 143.1 103.7 3.1 39.1 27.3 10.2 24 24 A Y - 0 0 74 -5,-0.1 -4,-1.7 1,-0.1 -1,-0.3 -0.485 58.3-103.4 -86.1 148.1 37.3 25.6 13.2 25 25 A Y E +AB 19 34A 28 9,-1.0 8,-2.9 11,-0.3 9,-1.3 -0.445 52.4 166.7 -65.4 122.6 38.8 25.0 16.5 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-2.7 6,-0.3 2,-0.3 -0.864 17.2-168.7-134.3 159.2 39.7 21.3 16.8 27 27 A I E > - B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 -12,-0.2 -0.946 51.8 -8.6-145.2 164.4 41.7 19.1 19.1 28 28 A G E 4 S+A 14 0A 0 -14,-1.9 -14,-1.2 -2,-0.3 2,-1.1 -0.123 122.9 1.4 52.2-122.6 43.2 15.4 19.2 29 29 A I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.548 126.6 -56.9 -99.1 72.9 42.0 13.2 16.4 30 30 A G T 4 S+ 0 0 16 -2,-1.1 2,-1.0 -19,-0.3 -2,-0.2 0.796 82.7 160.0 68.2 26.8 39.7 15.4 14.3 31 31 A H E < -B 27 0A 33 -4,-1.9 -4,-1.4 -20,-0.0 -1,-0.2 -0.676 35.3-140.0 -84.8 102.6 37.5 16.2 17.3 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.344 21.7-178.5 -61.7 129.0 35.6 19.5 16.3 33 33 A L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.3 -7,-0.2 0.910 56.9 -23.8 -94.5 -49.5 35.4 21.8 19.3 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-1.0 2,-0.1 -1,-0.3 -0.972 33.2-140.6-161.5 150.3 33.4 24.8 18.0 35 35 A K S S+ 0 0 141 -2,-0.3 7,-0.0 -11,-0.2 -3,-0.0 0.243 74.2 113.1 -91.7 8.2 32.5 26.8 14.9 36 36 A S S S- 0 0 39 2,-0.2 -11,-0.3 1,-0.1 6,-0.1 -0.668 73.1-132.0 -87.4 139.3 32.9 29.9 16.9 37 37 A P S S+ 0 0 128 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.474 77.5 103.4 -67.5 1.6 35.7 32.3 16.2 38 38 A S >> - 0 0 45 1,-0.2 4,-1.9 2,-0.1 3,-0.7 -0.782 56.3-162.5-100.6 122.3 36.6 32.5 19.8 39 39 A L H 3> S+ 0 0 66 -2,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.679 99.7 55.0 -63.6 -17.9 39.5 30.6 21.2 40 40 A N H 3> S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.854 103.3 50.8 -85.7 -30.5 37.9 31.1 24.5 41 41 A A H <> S+ 0 0 34 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.836 113.4 49.2 -71.3 -29.1 34.7 29.5 23.3 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.857 109.2 49.8 -75.3 -38.2 36.9 26.7 22.2 43 43 A K H X S+ 0 0 52 -4,-1.9 4,-1.8 2,-0.2 11,-0.3 0.840 111.0 51.1 -68.4 -31.3 38.8 26.4 25.5 44 44 A S H X S+ 0 0 72 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.959 112.1 45.0 -67.3 -53.0 35.5 26.4 27.3 45 45 A E H X S+ 0 0 67 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.915 112.5 52.7 -55.5 -49.8 34.1 23.5 25.1 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 6,-0.3 0.920 108.9 48.8 -57.7 -42.1 37.3 21.6 25.4 47 47 A D H X>S+ 0 0 33 -4,-1.8 4,-1.8 1,-0.2 5,-0.8 0.901 112.5 49.3 -65.9 -33.8 37.2 21.9 29.2 48 48 A K H <5S+ 0 0 143 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.896 110.6 50.1 -69.4 -41.0 33.6 20.7 29.1 49 49 A A H <5S+ 0 0 45 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 117.8 38.3 -64.0 -40.0 34.5 17.8 26.9 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.668 99.7-126.1 -89.8 -24.4 37.5 16.6 29.1 51 51 A G T <5S+ 0 0 72 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.691 79.1 73.9 84.9 14.9 36.1 17.2 32.5 52 52 A R S - 0 0 8 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.678 34.0-142.4 -94.3 -28.4 42.9 22.1 30.2 55 55 A N T 3 S- 0 0 109 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.853 75.8 -56.8 63.7 32.0 44.2 25.4 29.2 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.494 118.5 98.6 77.6 8.1 43.9 24.2 25.5 57 57 A V B < +C 16 0B 64 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.979 44.6 176.6-130.2 135.4 46.1 21.2 25.9 58 58 A I - 0 0 4 -43,-1.7 2,-0.1 -2,-0.4 -30,-0.1 -0.822 27.9-108.7-129.8 168.4 45.3 17.4 26.5 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.412 34.1-106.0 -90.6 168.8 47.1 14.2 26.8 60 60 A K H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.894 122.6 53.5 -62.2 -40.8 47.2 11.3 24.2 61 61 A D H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 108.2 49.9 -59.2 -47.1 44.9 9.3 26.4 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.895 111.1 49.7 -58.1 -41.3 42.4 12.2 26.5 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -34,-0.5 0.767 110.9 49.5 -65.6 -32.7 42.6 12.5 22.8 64 64 A E H X S+ 0 0 79 -4,-1.8 4,-2.7 -3,-0.2 -1,-0.2 0.827 107.4 54.7 -78.1 -32.9 42.0 8.7 22.4 65 65 A K H X S+ 0 0 137 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.947 109.6 46.5 -65.1 -44.3 39.1 8.9 24.7 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.929 112.1 51.6 -62.5 -42.9 37.5 11.6 22.6 67 67 A F H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.927 106.5 52.7 -60.9 -46.6 38.2 9.6 19.4 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.914 111.4 48.7 -55.8 -42.6 36.6 6.4 20.9 69 69 A Q H X S+ 0 0 94 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.873 111.0 49.5 -64.6 -38.8 33.5 8.5 21.6 70 70 A D H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.823 109.1 49.4 -74.0 -34.6 33.4 10.0 18.2 71 71 A V H X S+ 0 0 7 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.938 113.7 48.0 -68.9 -43.9 33.7 6.7 16.3 72 72 A D H X S+ 0 0 87 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.953 112.5 47.2 -58.9 -47.9 30.9 5.2 18.4 73 73 A A H X S+ 0 0 45 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.895 111.8 53.2 -61.7 -38.0 28.7 8.3 17.9 74 74 A A H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.960 111.4 44.7 -60.4 -52.1 29.5 8.0 14.2 75 75 A V H X S+ 0 0 33 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.949 115.6 46.6 -56.3 -48.9 28.4 4.4 14.1 76 76 A R H X S+ 0 0 110 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.857 108.2 56.4 -66.0 -35.4 25.2 5.0 16.2 77 77 A G H < S+ 0 0 3 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.936 108.3 47.8 -61.2 -45.4 24.3 8.0 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 7,-0.4 0.957 112.5 47.6 -58.0 -51.6 24.4 5.8 10.9 79 79 A L H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.717 113.1 49.7 -66.1 -22.1 22.3 3.0 12.4 80 80 A R T 3< S+ 0 0 168 -4,-1.5 2,-0.5 -3,-0.2 -1,-0.3 0.408 92.2 95.4 -91.2 -10.8 19.8 5.6 13.7 81 81 A N <> - 0 0 20 -3,-1.2 4,-2.7 -4,-0.5 -4,-0.0 -0.784 66.1-148.3 -94.9 125.5 19.4 7.3 10.4 82 82 A A T 4 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.790 99.6 39.1 -62.7 -27.5 16.7 6.4 8.1 83 83 A K T 4 S+ 0 0 119 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.781 120.6 43.2 -90.9 -29.7 18.7 7.2 5.0 84 84 A L T >> S+ 0 0 0 -7,-0.2 4,-2.4 -6,-0.1 3,-0.5 0.881 99.2 67.5 -83.2 -42.1 22.0 5.9 6.2 85 85 A K H 3X S+ 0 0 82 -4,-2.7 4,-2.8 -7,-0.4 5,-0.2 0.909 101.1 47.0 -49.9 -50.8 21.0 2.6 7.8 86 86 A P H 3> S+ 0 0 49 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.817 111.5 51.6 -65.4 -30.7 20.0 0.8 4.7 87 87 A V H <4 S+ 0 0 2 -3,-0.5 4,-0.5 -4,-0.5 3,-0.3 0.973 112.0 46.5 -69.3 -47.9 23.0 1.9 2.8 88 88 A Y H >< S+ 0 0 32 -4,-2.4 3,-1.8 1,-0.2 -3,-0.2 0.926 110.2 54.4 -55.0 -45.9 25.3 0.7 5.6 89 89 A D H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 105.8 52.7 -61.9 -33.3 23.4 -2.7 5.8 90 90 A S T 3< S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.574 97.1 90.5 -76.4 -12.8 23.9 -3.3 2.3 91 91 A L S < S- 0 0 7 -3,-1.8 31,-0.0 -4,-0.5 2,-0.0 -0.562 72.8-118.9 -90.0 160.9 27.7 -2.8 2.3 92 92 A D > - 0 0 52 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.212 45.0 -93.7 -78.6 174.6 30.7 -5.1 2.8 93 93 A A H > S+ 0 0 81 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.804 121.8 48.5 -65.5 -33.4 33.1 -4.4 5.8 94 94 A V H >> S+ 0 0 26 62,-0.2 4,-1.5 2,-0.2 3,-0.8 0.978 112.5 47.7 -69.8 -54.8 35.6 -2.3 4.0 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.859 106.9 58.8 -52.4 -38.1 33.0 -0.0 2.3 96 96 A R H 3X S+ 0 0 81 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.896 102.1 53.8 -59.8 -39.2 31.3 0.3 5.7 97 97 A A H S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.848 127.8 50.8 -57.1 -48.1 25.3 12.3 9.5 109 109 A T H > S+ 0 0 120 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.937 110.1 52.4 -60.2 -43.4 23.1 15.1 8.2 110 110 A G H >4 S+ 0 0 30 -4,-0.5 3,-0.8 1,-0.2 4,-0.4 0.962 115.1 38.1 -53.4 -61.1 25.9 16.0 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.892 109.4 61.2 -60.2 -41.3 26.2 12.5 4.3 112 112 A A H 3< S+ 0 0 10 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.768 97.1 64.8 -60.2 -21.7 22.5 11.8 4.4 113 113 A G T << S+ 0 0 47 -4,-1.0 2,-2.3 -3,-0.8 -1,-0.3 0.740 75.3 87.0 -71.4 -28.0 22.3 14.6 2.1 114 114 A F <> + 0 0 48 -3,-2.0 4,-2.2 -4,-0.4 3,-0.4 -0.335 55.6 164.6 -73.7 60.1 24.2 12.9 -0.7 115 115 A T H > + 0 0 83 -2,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.817 65.0 48.1 -47.0 -50.8 21.1 11.3 -2.1 116 116 A N H > S+ 0 0 85 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 112.6 46.5 -67.1 -41.0 22.3 10.3 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.890 108.1 57.5 -66.5 -41.0 25.5 8.7 -4.4 118 118 A L H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.831 108.2 48.8 -56.8 -33.9 23.6 6.8 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.887 111.2 47.4 -74.5 -39.8 21.4 5.3 -4.2 120 120 A M H <>S+ 0 0 27 -4,-1.8 5,-2.4 2,-0.2 -2,-0.2 0.897 110.7 53.7 -69.7 -36.7 24.4 4.3 -6.4 121 121 A L H ><5S+ 0 0 2 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.967 109.0 48.7 -59.7 -48.3 26.0 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.890 111.3 48.0 -61.5 -36.6 23.0 0.7 -2.6 123 123 A Q T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.312 112.4-124.6 -82.8 6.0 22.8 -0.5 -6.2 124 124 A K T < 5 + 0 0 97 -3,-2.2 2,-1.5 1,-0.2 -3,-0.2 0.708 57.6 152.8 51.6 35.8 26.5 -1.3 -5.9 125 125 A R >< + 0 0 112 -5,-2.4 4,-2.3 1,-0.2 5,-0.2 -0.648 18.7 175.1 -89.3 74.6 27.3 0.9 -8.9 126 126 A W H > + 0 0 49 -2,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.838 66.4 45.1 -50.6 -54.6 30.8 1.5 -7.6 127 127 A D H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 114.9 48.6 -62.7 -44.3 32.5 3.5 -10.4 128 128 A E H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 109.8 51.1 -65.6 -40.6 29.5 5.8 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.903 107.4 54.9 -61.9 -38.3 29.2 6.5 -7.3 130 130 A A H X S+ 0 0 10 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.915 108.5 48.2 -62.2 -41.9 32.9 7.4 -7.2 131 131 A V H X S+ 0 0 84 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.913 113.7 47.0 -63.5 -45.8 32.4 9.9 -9.9 132 132 A N H >< S+ 0 0 43 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.843 106.8 56.2 -67.2 -35.1 29.4 11.5 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.3 6,-0.4 -5,-0.2 -1,-0.2 0.841 100.8 59.1 -67.8 -27.2 31.0 11.7 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.0 2,-1.5 -3,-0.4 -1,-0.2 0.695 87.5 79.9 -74.0 -19.3 34.0 13.7 -6.4 135 135 A K S << S+ 0 0 147 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 -0.474 80.7 93.0 -85.5 60.9 31.4 16.4 -7.5 136 136 A S S > S- 0 0 21 -2,-1.5 4,-1.7 1,-0.1 5,-0.2 -0.985 86.5-113.4-148.7 162.4 31.2 18.0 -4.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.6 1,-0.2 5,-0.3 0.896 113.2 64.2 -61.9 -41.2 32.7 20.7 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.941 105.8 42.8 -45.7 -53.5 34.2 18.0 0.3 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.6 49.3 -65.2 -41.5 36.4 16.7 -2.5 140 140 A N H < S+ 0 0 109 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.6 43.5 -68.8 -35.2 37.3 20.1 -3.6 141 141 A Q H < S+ 0 0 85 -4,-3.6 -2,-0.2 1,-0.2 -3,-0.2 0.884 132.4 17.2 -77.4 -44.4 38.2 21.2 -0.1 142 142 A T S X S+ 0 0 28 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 -0.601 74.4 165.1-129.2 69.6 40.2 18.1 1.1 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.797 69.5 50.9 -58.6 -41.0 41.0 16.3 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.918 116.4 41.0 -66.3 -43.4 43.8 13.9 -1.0 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 115.3 51.8 -67.5 -47.5 41.6 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.945 107.7 52.5 -55.7 -48.1 38.5 12.5 -0.3 147 147 A K H X S+ 0 0 93 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.862 108.1 51.2 -56.2 -38.1 40.4 10.5 -2.9 148 148 A R H X S+ 0 0 66 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.946 113.5 43.7 -66.0 -45.5 41.4 7.9 -0.4 149 149 A V H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 114.4 49.9 -64.2 -43.5 37.8 7.5 0.9 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.842 109.8 51.2 -65.1 -34.9 36.4 7.4 -2.6 151 151 A T H X S+ 0 0 38 -4,-1.9 4,-2.6 -5,-0.3 6,-0.4 0.880 108.5 50.7 -68.3 -40.8 39.0 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.865 113.2 48.6 -61.0 -38.0 38.0 2.6 -0.6 153 153 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.883 115.5 40.9 -69.7 -40.8 34.4 3.0 -1.7 154 154 A R H < S+ 0 0 99 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.953 127.0 31.5 -71.3 -54.9 35.0 2.1 -5.4 155 155 A T H < S- 0 0 40 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.709 86.4-141.0 -78.3 -35.3 37.4 -0.7 -4.8 156 156 A G < + 0 0 14 -4,-2.0 2,-0.2 -5,-0.4 -62,-0.2 0.658 69.5 103.9 73.8 15.9 36.3 -2.2 -1.5 157 157 A T S S- 0 0 48 -6,-0.4 -1,-0.3 -63,-0.1 3,-0.2 -0.694 79.0-121.8-121.3 173.3 40.0 -2.7 -0.6 158 158 A W S > S+ 0 0 42 -2,-0.2 3,-1.6 1,-0.2 4,-0.2 0.179 71.3 119.9-101.7 21.4 42.4 -0.8 1.7 159 159 A D G > + 0 0 94 1,-0.3 3,-4.8 2,-0.2 -1,-0.2 0.923 65.0 59.8 -49.3 -57.9 44.9 0.0 -1.0 160 160 A A G 3 S+ 0 0 40 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.679 109.7 46.4 -46.7 -22.1 44.7 3.8 -0.7 161 161 A Y G < 0 0 19 -3,-1.6 -1,-0.3 -13,-0.1 -2,-0.2 0.382 360.0 360.0-106.6 6.4 45.8 3.4 2.8 162 162 A K < 0 0 173 -3,-4.8 -2,-0.1 -4,-0.2 -3,-0.1 0.634 360.0 360.0-112.2 360.0 48.6 1.0 2.2