==== 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 22-OCT-97 245L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 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 7.3 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 . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.4 43.6 -1.9 9.1 2 2 A N > - 0 0 71 156,-0.0 4,-3.3 1,-0.0 5,-0.2 -0.941 360.0 -80.6-154.7 177.0 40.4 -0.7 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.845 125.2 49.0 -53.1 -42.2 38.2 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.947 114.2 43.5 -67.7 -46.0 40.3 3.6 14.2 5 5 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.895 114.8 51.5 -66.3 -38.3 43.5 3.3 12.3 6 6 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 3,-0.2 0.949 111.3 44.7 -65.0 -50.6 42.1 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.4 0.864 107.6 59.7 -64.6 -29.2 40.7 7.8 10.9 8 8 A R H X S+ 0 0 97 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.902 109.1 44.8 -66.4 -33.3 43.9 8.3 12.9 9 9 A I H < S+ 0 0 55 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.933 116.3 46.0 -70.6 -46.5 45.7 8.6 9.6 10 10 A D H < S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.830 125.5 27.2 -65.6 -37.6 43.1 10.9 8.1 11 11 A E H < S- 0 0 47 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.682 92.8-151.4-101.2 -23.9 42.8 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.1 -0.195 24.8 -87.3 76.7-171.8 46.2 13.0 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.981 42.3 174.0-139.3 125.3 46.6 13.6 16.5 14 14 A R E -A 28 0A 147 14,-1.6 14,-2.4 -2,-0.4 4,-0.1 -0.997 18.9-161.5-136.0 129.3 47.2 16.9 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.438 74.4 59.5 -89.0 -4.2 47.3 17.5 21.9 16 16 A K E S-C 57 0B 87 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.929 101.1 -84.1-124.8 151.9 46.7 21.3 21.9 17 17 A I E + 0 0 13 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.235 58.9 168.2 -53.1 134.7 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-3.1 8,-3.3 -4,-0.1 2,-0.5 -0.871 36.4-102.3-140.4 176.2 44.2 23.8 16.8 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.878 34.1-139.7-105.6 132.4 42.2 24.9 13.8 20 20 A D > - 0 0 49 4,-3.2 3,-2.0 -2,-0.5 -1,-0.1 -0.079 41.7 -78.3 -76.7-170.1 40.9 22.4 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.725 135.2 48.4 -59.9 -25.0 40.8 22.6 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.394 123.6-104.4 -95.6 0.3 37.7 24.9 7.8 23 23 A G S < S+ 0 0 34 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.598 73.9 142.8 87.4 14.0 39.4 27.1 10.5 24 24 A Y - 0 0 74 1,-0.1 -4,-3.2 9,-0.0 -1,-0.3 -0.719 59.5-101.9 -94.6 146.8 37.4 25.6 13.4 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-2.9 11,-0.4 9,-1.3 -0.411 55.6 159.2 -63.9 125.8 38.7 25.0 16.8 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-3.1 6,-0.3 2,-0.3 -0.902 19.8-168.6-143.4 165.7 39.5 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.0 -2,-0.3 2,-0.2 -0.985 50.9 3.6-152.9 163.3 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-1.0 -0.436 122.3 -5.4 69.1-130.9 42.9 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.708 127.7 -53.6-104.0 76.5 41.9 13.2 16.7 30 30 A G T 4 S+ 0 0 17 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.713 83.7 160.4 65.9 24.9 39.6 15.5 14.8 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.9 1,-0.0 -1,-0.2 -0.683 33.4-141.9 -83.3 105.6 37.4 16.3 17.7 32 32 A L E -B 26 0A 76 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.420 19.4-176.4 -66.0 128.4 35.5 19.6 16.8 33 33 A L E - 0 0 14 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.878 58.4 -29.5 -93.2 -44.9 35.1 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.968 34.4-134.9-168.7 156.5 33.1 24.7 18.3 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.457 74.6 112.4 -96.5 -3.7 32.4 26.6 15.2 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.396 73.3-130.7 -71.6 147.3 32.7 29.8 17.1 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.526 77.3 102.0 -75.2 -4.6 35.5 32.1 16.4 38 38 A S > - 0 0 45 1,-0.1 4,-1.9 -13,-0.0 5,-0.1 -0.718 56.9-159.7 -95.0 125.3 36.4 32.4 20.1 39 39 A L H > S+ 0 0 63 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.794 97.2 56.1 -65.4 -29.0 39.3 30.5 21.6 40 40 A N H > S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.936 104.5 49.7 -70.2 -44.3 37.7 31.0 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.905 113.0 49.6 -59.8 -35.7 34.5 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.893 109.5 50.4 -69.1 -40.6 36.8 26.6 22.6 43 43 A K H X S+ 0 0 53 -4,-2.6 4,-2.3 1,-0.2 11,-0.2 0.917 110.8 50.9 -64.8 -36.9 38.6 26.4 25.9 44 44 A S H X S+ 0 0 71 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.939 110.2 46.4 -63.9 -50.0 35.3 26.2 27.6 45 45 A E H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.918 111.2 55.8 -60.6 -41.3 33.9 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.948 108.0 45.9 -58.1 -48.8 37.2 21.5 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-2.3 1,-0.2 5,-1.3 0.906 112.6 50.5 -61.1 -40.1 37.0 21.6 29.7 48 48 A K H <5S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 110.7 50.2 -65.9 -37.3 33.4 20.5 29.7 49 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.4 33.8 -70.0 -36.0 34.3 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.692 104.0-124.0 -94.5 -25.8 37.2 16.3 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.794 76.4 69.9 88.0 27.5 35.9 17.1 32.8 52 52 A R S - 0 0 8 -2,-1.0 3,-0.9 -11,-0.2 -1,-0.2 0.745 33.1-144.0 -91.6 -31.4 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.830 73.4 -56.6 68.3 28.4 43.9 25.1 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.514 117.9 96.3 81.7 7.4 43.8 24.0 26.0 57 57 A V B < +C 16 0B 71 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.991 45.2 176.8-131.9 136.2 46.0 20.9 26.4 58 58 A I - 0 0 3 -43,-1.9 2,-0.2 -2,-0.4 -30,-0.1 -0.811 27.8-108.7-128.9 171.1 45.0 17.2 27.0 59 59 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.488 33.2-102.9 -98.0 175.0 46.9 14.0 27.2 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.875 122.4 52.0 -59.6 -42.3 47.1 11.2 24.8 61 61 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 109.0 50.7 -62.0 -42.6 44.7 9.1 26.9 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 109.5 50.7 -62.1 -44.7 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.878 110.8 50.0 -59.6 -41.6 42.4 12.3 23.1 64 64 A E H X S+ 0 0 78 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.871 107.8 51.8 -66.2 -38.1 41.9 8.6 22.8 65 65 A K H X S+ 0 0 138 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.934 110.3 48.1 -66.6 -42.3 38.9 8.6 25.0 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.910 111.1 53.5 -61.7 -39.1 37.3 11.5 23.0 67 67 A F H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.935 106.7 50.0 -61.2 -48.0 38.1 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.920 112.2 48.6 -57.7 -43.9 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.918 110.6 51.3 -61.9 -43.3 33.3 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.848 110.2 47.2 -64.0 -38.3 33.3 10.1 18.6 71 71 A V H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.951 112.1 51.1 -68.5 -44.7 33.5 6.8 16.6 72 72 A D H X S+ 0 0 80 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.941 110.1 49.4 -57.5 -43.7 30.8 5.3 18.7 73 73 A A H X S+ 0 0 47 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.877 107.6 53.8 -65.8 -35.6 28.6 8.4 18.1 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.948 109.7 48.7 -65.4 -43.9 29.2 8.3 14.3 75 75 A V H X S+ 0 0 31 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.952 113.3 47.0 -58.8 -47.5 28.1 4.7 14.2 76 76 A R H X S+ 0 0 123 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.895 107.5 55.1 -65.7 -33.7 25.0 5.5 16.1 77 77 A G H X S+ 0 0 4 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.933 109.7 48.7 -62.4 -42.1 24.2 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.4 0.947 110.5 49.5 -60.1 -51.1 24.2 6.2 11.0 79 79 A L H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.810 113.6 47.1 -64.3 -26.0 22.0 3.5 12.6 80 80 A R H 3< S+ 0 0 178 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 0.574 91.8 94.1 -89.4 -14.1 19.6 6.1 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.861 100.2 67.8 -87.0 -39.7 21.9 6.1 6.1 85 85 A K H X S+ 0 0 81 -4,-3.0 4,-2.6 -7,-0.4 5,-0.2 0.890 98.7 50.4 -50.5 -46.4 21.0 2.9 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.891 111.2 48.5 -67.0 -32.6 19.9 1.1 4.8 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.9 -3,-0.4 3,-0.3 0.967 111.5 49.7 -67.2 -48.7 23.0 1.9 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.888 108.6 53.0 -55.7 -43.5 25.1 0.9 5.8 89 89 A D H 3< S+ 0 0 75 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.863 106.8 53.7 -64.2 -33.1 23.3 -2.4 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.627 96.4 87.3 -75.0 -16.2 23.8 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-0.9 31,-0.0 -4,-0.9 2,-0.0 -0.520 76.3-114.1 -91.0 160.5 27.5 -2.8 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.264 43.4 -95.4 -76.3 169.2 30.5 -5.0 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.856 121.9 49.7 -58.1 -41.6 32.7 -4.3 6.3 94 94 A V H > S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 3,-0.2 0.941 113.0 45.6 -64.2 -47.2 35.3 -2.4 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.864 106.3 60.5 -67.1 -31.7 32.9 -0.1 2.8 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.904 101.6 54.4 -59.7 -39.0 31.0 0.4 6.1 97 97 A A H X S+ 0 0 9 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.879 104.7 53.7 -64.7 -34.8 34.2 1.9 7.4 98 98 A A H X S+ 0 0 3 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.885 108.4 49.3 -66.0 -37.7 34.3 4.4 4.6 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 109.5 51.8 -65.6 -41.2 30.8 5.5 5.4 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.933 107.6 53.2 -59.8 -44.1 31.7 5.9 9.1 101 101 A N H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.940 109.1 48.9 -56.1 -48.0 34.8 8.1 8.0 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.908 112.7 47.3 -60.0 -43.9 32.6 10.3 6.0 103 103 A V H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.913 109.8 53.1 -66.4 -36.7 30.1 10.7 8.9 104 104 A F H < S+ 0 0 31 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.937 115.4 41.5 -62.3 -42.1 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.930 132.6 16.1 -71.1 -48.1 34.2 14.1 9.1 106 106 A M H X S- 0 0 55 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.494 102.3-111.8-113.4 -2.2 31.0 15.8 8.0 107 107 A G H X - 0 0 31 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.142 33.8 -81.7 85.2 152.7 28.2 14.7 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 127.6 52.6 -59.6 -41.6 25.1 12.6 9.7 109 109 A T H > S+ 0 0 121 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.943 108.7 49.7 -63.3 -46.5 23.2 15.5 8.2 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.966 114.5 43.6 -58.3 -52.5 26.0 16.3 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.3 -1,-0.2 0.901 104.9 61.2 -61.2 -42.2 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.763 95.1 68.6 -58.9 -18.6 22.6 12.0 4.3 113 113 A G T << S+ 0 0 54 -4,-1.0 2,-1.7 -3,-1.0 -1,-0.3 0.633 73.8 85.4 -74.0 -13.8 22.7 14.9 1.7 114 114 A F <> + 0 0 41 -3,-2.8 4,-2.6 1,-0.2 5,-0.3 -0.241 56.6 158.1 -85.8 54.8 24.6 12.8 -0.8 115 115 A T H > + 0 0 89 -2,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.852 66.5 43.5 -44.6 -55.6 21.4 11.3 -2.1 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.909 114.9 49.2 -64.3 -40.7 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.910 109.3 53.0 -64.2 -40.6 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.905 108.0 50.3 -60.6 -42.8 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 126 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.940 111.4 49.4 -63.2 -43.2 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 29 -4,-2.2 5,-2.2 1,-0.2 4,-0.4 0.909 110.2 49.8 -64.1 -39.5 24.5 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.938 108.6 52.5 -66.7 -41.3 26.3 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.877 108.5 51.0 -60.4 -32.2 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.473 112.8-121.1 -82.3 -2.7 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.7 2,-1.3 -4,-0.4 -3,-0.2 0.764 62.6 147.7 65.6 31.2 26.6 -1.6 -5.7 125 125 A R >< + 0 0 107 -5,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.698 20.7 174.1 -95.6 75.8 27.5 0.6 -8.7 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.906 67.9 43.9 -55.0 -55.9 31.0 1.3 -7.5 127 127 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 115.6 50.3 -61.8 -39.9 32.6 3.2 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 109.5 49.4 -65.3 -43.3 29.6 5.3 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.902 108.6 55.0 -60.4 -38.6 29.3 6.2 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.912 108.1 47.8 -62.8 -41.9 33.0 7.2 -7.0 131 131 A V H X S+ 0 0 95 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.951 113.8 47.2 -65.1 -45.8 32.5 9.6 -9.8 132 132 A N H >< S+ 0 0 33 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.912 107.0 56.0 -63.9 -41.0 29.5 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 1,-0.3 -1,-0.2 0.849 101.5 60.0 -60.9 -30.4 31.1 11.4 -4.8 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.9 -3,-0.4 -1,-0.3 0.704 84.9 77.7 -71.5 -22.2 33.9 13.4 -6.4 135 135 A K S << S+ 0 0 161 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.514 81.8 100.7 -84.9 67.9 31.5 16.2 -7.7 136 136 A S S > S- 0 0 15 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.996 84.3-119.2-150.8 155.2 31.3 17.7 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.891 114.5 64.4 -60.3 -37.1 32.7 20.6 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.946 105.3 41.5 -50.9 -50.3 34.0 17.8 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.2 51.0 -68.4 -38.6 36.3 16.4 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.884 115.3 41.3 -69.9 -33.5 37.4 19.9 -3.8 141 141 A Q H < S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 132.6 19.4 -81.8 -39.3 38.3 21.1 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 -0.580 73.9 161.1-131.6 72.4 40.1 17.9 1.0 143 143 A P H > + 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.838 69.5 51.2 -63.6 -42.1 41.0 16.0 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.918 116.3 40.9 -68.1 -39.8 43.6 13.7 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.930 114.9 51.6 -70.4 -44.4 41.5 12.5 2.1 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.917 107.0 54.5 -57.3 -42.0 38.4 12.3 -0.1 147 147 A K H X S+ 0 0 96 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.857 106.1 52.7 -60.3 -36.5 40.4 10.2 -2.7 148 148 A R H X S+ 0 0 47 -4,-1.3 4,-1.4 -3,-0.2 12,-0.2 0.931 113.2 42.6 -66.5 -42.0 41.3 7.7 0.1 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.935 114.0 51.5 -68.0 -44.3 37.7 7.3 1.1 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.882 109.2 49.9 -59.0 -42.5 36.4 7.1 -2.4 151 151 A T H X S+ 0 0 37 -4,-2.1 4,-2.6 1,-0.2 6,-0.4 0.839 107.4 55.8 -67.0 -31.6 38.9 4.4 -3.4 152 152 A T H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.931 110.4 43.9 -66.2 -44.0 37.8 2.5 -0.4 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.8 49.7 -65.9 -39.4 34.2 2.6 -1.6 154 154 A R H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.894 124.8 23.2 -66.0 -44.9 35.4 1.8 -5.1 155 155 A T H < S- 0 0 44 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.596 86.5-135.4-101.8 -18.2 37.5 -1.2 -4.3 156 156 A G S < S+ 0 0 15 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.723 73.4 99.7 66.9 20.5 36.3 -2.5 -1.1 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.2 -0.842 80.9-119.0-128.5 173.4 39.9 -2.8 0.1 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.3 1,-0.2 4,-0.6 0.172 70.6 123.8 -97.3 17.8 42.2 -0.7 2.3 159 159 A D G >4 + 0 0 98 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.807 64.6 61.0 -49.6 -36.7 44.7 -0.2 -0.4 160 160 A A G 34 S+ 0 0 26 -3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.638 108.1 45.6 -68.1 -14.1 44.6 3.6 -0.3 161 161 A Y G <4 S+ 0 0 5 -3,-2.3 2,-0.8 -13,-0.1 -1,-0.3 0.488 86.4 104.6-105.7 -7.2 45.8 3.5 3.3 162 162 A K S << S+ 0 0 109 -3,-1.1 -1,-0.0 -4,-0.6 -3,-0.0 -0.765 84.7 27.5 -86.7 110.5 48.6 0.9 2.7 163 163 A N 0 0 172 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.1 -0.516 360.0 360.0 137.3 -50.5 51.9 2.8 2.8 164 164 A L 0 0 117 -4,-0.2 -2,-0.2 -3,-0.1 -3,-0.1 0.758 360.0 360.0 -64.1 360.0 50.7 5.6 5.1