==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-99 1CTW . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.D.LINDSTROM,J.LU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8582.0 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 . 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 . 10 6.2 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 0 1 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.0 43.6 -1.8 9.0 2 2 A N > - 0 0 66 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.923 360.0 -80.1-153.9 178.0 40.4 -0.6 10.8 3 3 A I H > S+ 0 0 29 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.808 124.0 49.2 -53.2 -45.2 38.3 2.4 11.5 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 114.5 43.8 -63.4 -50.4 40.5 3.7 14.3 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.873 114.8 50.2 -61.5 -39.6 43.7 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.2 0.949 112.8 44.9 -64.4 -48.1 42.1 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.888 107.9 58.6 -66.6 -35.2 40.8 7.7 11.1 8 8 A R H X S+ 0 0 92 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.872 107.2 48.9 -63.5 -30.4 44.0 8.2 12.9 9 9 A I H < S+ 0 0 88 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.917 113.8 44.5 -72.7 -45.5 45.7 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.801 124.0 31.5 -71.0 -33.8 43.2 11.1 8.3 11 11 A E H < S- 0 0 49 -4,-2.4 19,-0.5 -5,-0.2 -1,-0.2 0.628 88.8-152.8 -98.3 -23.2 43.0 13.3 11.3 12 12 A G < - 0 0 27 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.1 -0.066 25.1 -87.7 72.5-169.8 46.4 13.2 13.0 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.967 41.4 173.1-140.2 122.1 46.9 13.7 16.8 14 14 A R E -A 28 0A 147 14,-1.9 14,-2.1 -2,-0.4 4,-0.1 -0.998 17.7-164.7-134.5 126.4 47.5 17.1 18.6 15 15 A L E S+ 0 0 62 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.528 76.1 60.8 -87.4 -3.8 47.6 17.6 22.3 16 16 A K E S-C 57 0B 87 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.857 101.9 -85.1-122.3 149.8 47.1 21.2 22.2 17 17 A I E + 0 0 19 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.235 56.6 172.2 -50.4 143.6 44.1 23.2 20.8 18 18 A Y E -A 26 0A 29 8,-3.2 8,-3.3 -4,-0.1 2,-0.5 -0.940 34.0-104.8-149.3 169.8 44.3 23.8 17.1 19 19 A K E -A 25 0A 132 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.863 33.5-138.7-102.1 131.5 42.5 25.1 14.0 20 20 A D > - 0 0 52 4,-3.0 3,-2.0 -2,-0.5 -1,-0.1 -0.045 38.8 -83.7 -76.1-173.4 41.1 22.7 11.6 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.789 134.7 47.4 -63.1 -30.1 41.2 23.0 7.7 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.312 125.0-104.6 -87.0 -4.1 38.0 25.2 8.0 23 23 A G S < S+ 0 0 33 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.636 73.3 140.6 84.2 23.8 39.5 27.3 10.8 24 24 A Y - 0 0 71 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.822 60.0 -98.7-101.3 148.7 37.5 25.8 13.7 25 25 A Y E +AB 19 34A 35 9,-0.8 8,-3.6 11,-0.5 9,-1.5 -0.360 55.2 157.3 -62.4 120.0 38.8 25.0 17.1 26 26 A T E -AB 18 32A 4 -8,-3.3 -8,-3.2 6,-0.3 2,-0.3 -0.875 18.6-174.2-139.6 168.7 39.7 21.3 17.5 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.3 -2,-0.3 2,-0.2 -0.960 52.0 10.6-159.5 164.4 42.0 19.1 19.7 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.9 -2,-0.3 2,-0.9 -0.397 123.4 -8.6 70.8-131.3 43.1 15.4 19.9 29 29 A I T 4 S- 0 0 2 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.2 -0.757 128.6 -51.5-102.8 77.7 42.2 13.2 17.0 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.755 84.9 160.9 60.3 29.6 40.0 15.6 15.0 31 31 A H E < -B 27 0A 32 -4,-2.3 -4,-1.6 1,-0.0 -1,-0.2 -0.711 31.0-146.7 -80.8 99.0 37.7 16.3 18.0 32 32 A L E -B 26 0A 67 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.374 18.2-176.7 -67.1 134.0 36.0 19.6 17.0 33 33 A L E - 0 0 15 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.912 56.3 -22.8 -97.9 -44.4 35.3 21.8 19.9 34 34 A T E -B 25 0A 29 -9,-1.5 -9,-0.8 2,-0.1 -1,-0.4 -0.967 35.3-139.3-164.4 156.6 33.5 24.7 18.6 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.2 -9,-0.0 0.337 74.4 105.6-100.9 -2.4 32.8 26.7 15.6 36 36 A S S S- 0 0 48 2,-0.2 -11,-0.5 1,-0.1 -2,-0.1 -0.471 74.5-129.7 -78.0 151.3 33.0 30.0 17.4 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.566 76.4 107.8 -83.5 -6.5 36.1 32.2 17.0 38 38 A S > - 0 0 47 1,-0.2 4,-1.4 2,-0.0 -2,-0.2 -0.618 55.1-162.0 -78.4 123.3 36.5 32.6 20.7 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.814 94.5 60.6 -67.9 -26.7 39.5 30.6 22.1 40 40 A N H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 101.7 48.0 -63.7 -55.3 37.8 31.1 25.4 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.859 111.5 51.9 -56.0 -35.6 34.8 29.3 24.3 42 42 A A H X S+ 0 0 0 -4,-1.4 4,-3.4 2,-0.2 -2,-0.2 0.936 108.2 50.5 -68.4 -41.5 37.0 26.5 23.0 43 43 A K H X S+ 0 0 57 -4,-2.9 4,-2.7 1,-0.2 11,-0.3 0.896 112.1 48.5 -62.4 -37.4 38.8 26.3 26.2 44 44 A S H X S+ 0 0 70 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.950 109.2 50.1 -67.1 -51.2 35.5 26.1 28.0 45 45 A E H X S+ 0 0 65 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.950 113.4 51.0 -54.5 -43.2 34.1 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-3.4 4,-2.6 2,-0.2 5,-0.4 0.957 108.0 47.2 -60.1 -54.3 37.3 21.5 26.3 47 47 A D H X>S+ 0 0 32 -4,-2.7 4,-2.3 1,-0.2 5,-1.5 0.929 113.4 50.8 -51.7 -44.1 37.3 21.7 30.1 48 48 A K H <5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.0 49.2 -59.8 -43.6 33.7 20.6 30.0 49 49 A A H <5S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.902 119.0 36.5 -64.6 -40.3 34.6 17.7 27.8 50 50 A I H <5S- 0 0 36 -4,-2.6 -2,-0.2 2,-0.3 -1,-0.2 0.648 101.8-125.2 -85.1 -26.9 37.5 16.5 29.9 51 51 A G T <5S+ 0 0 65 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.831 77.1 77.3 82.3 27.4 36.1 17.2 33.2 52 52 A R S - 0 0 8 -2,-0.9 3,-1.1 -11,-0.3 -1,-0.2 0.736 34.1-141.9 -93.6 -24.2 42.9 21.9 31.2 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.800 71.4 -64.2 65.7 23.1 44.5 25.1 30.1 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.464 116.3 100.5 75.0 8.2 44.0 23.9 26.3 57 57 A V B < +C 16 0B 71 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.944 45.7 174.8-124.2 140.5 46.4 20.9 26.8 58 58 A I - 0 0 3 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.908 28.6-107.1-140.4 167.9 45.4 17.2 27.3 59 59 A T > - 0 0 67 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.420 32.5-104.7 -92.2 170.5 47.2 14.1 27.6 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 121.1 53.6 -57.2 -46.0 47.4 11.2 25.1 61 61 A D H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.856 108.5 48.2 -57.9 -42.2 45.0 9.2 27.1 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.952 109.5 53.7 -65.8 -41.9 42.5 12.0 27.2 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 -34,-0.5 0.859 111.0 46.8 -56.1 -42.3 42.8 12.4 23.4 64 64 A E H X S+ 0 0 72 -4,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.821 106.9 56.2 -73.3 -34.3 42.1 8.8 22.9 65 65 A K H X S+ 0 0 142 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.951 110.1 45.6 -65.4 -41.5 39.2 8.8 25.3 66 66 A L H X S+ 0 0 5 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.863 111.4 54.3 -64.4 -38.1 37.6 11.5 23.2 67 67 A F H X S+ 0 0 14 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.931 107.3 49.7 -65.1 -43.6 38.4 9.6 20.0 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.922 110.5 47.6 -56.1 -52.4 36.8 6.5 21.2 69 69 A Q H X S+ 0 0 99 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.886 114.0 51.2 -58.7 -37.0 33.6 8.2 22.2 70 70 A D H X S+ 0 0 35 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.863 109.9 45.8 -67.7 -41.6 33.7 10.0 18.7 71 71 A V H X S+ 0 0 5 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.929 113.1 52.9 -69.5 -40.3 34.2 6.9 16.7 72 72 A D H X S+ 0 0 75 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.959 109.0 48.2 -62.9 -40.8 31.4 5.3 18.8 73 73 A A H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.900 108.8 53.1 -67.8 -34.9 29.0 8.1 18.1 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.920 108.0 51.4 -64.3 -39.2 29.7 8.1 14.4 75 75 A V H X S+ 0 0 42 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.899 111.8 47.2 -57.6 -49.4 29.0 4.3 14.1 76 76 A R H X S+ 0 0 116 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.852 105.7 56.5 -67.9 -36.9 25.8 4.9 15.9 77 77 A G H X S+ 0 0 1 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.893 107.1 53.1 -60.0 -33.4 24.8 7.9 13.7 78 78 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 10,-0.2 0.889 114.5 39.7 -63.8 -43.9 25.3 5.4 10.7 79 79 A L H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.849 120.3 46.3 -76.4 -32.1 22.9 2.9 12.3 80 80 A R H < S+ 0 0 172 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.893 87.6 88.4 -77.1 -54.1 20.5 5.5 13.5 81 81 A N S X S- 0 0 22 -4,-3.1 4,-2.9 -5,-0.2 28,-0.0 -0.315 70.3-140.6 -57.0 140.0 20.0 7.8 10.6 82 82 A A T 4 S+ 0 0 86 1,-0.2 -1,-0.1 2,-0.2 -4,-0.0 0.799 102.1 46.1 -71.6 -32.7 17.2 6.7 8.3 83 83 A K T > S+ 0 0 132 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.753 118.9 45.3 -77.5 -23.7 18.9 7.6 5.1 84 84 A L H >> S+ 0 0 0 -7,-0.2 4,-2.6 1,-0.1 3,-0.8 0.947 95.1 67.1 -85.3 -48.6 22.0 5.9 6.3 85 85 A K H 3X S+ 0 0 97 -4,-2.9 4,-2.6 1,-0.3 5,-0.2 0.840 99.0 52.9 -39.4 -53.5 21.1 2.7 7.8 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.899 113.2 42.2 -58.8 -39.9 20.0 1.1 4.6 87 87 A V H < S+ 0 0 35 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.893 109.0 51.5 -53.3 -47.5 25.3 0.9 5.7 89 89 A D H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.828 106.9 53.7 -66.8 -30.1 23.5 -2.4 6.0 90 90 A S H 3< S+ 0 0 38 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.649 95.7 93.2 -81.0 -10.5 24.0 -3.2 2.3 91 91 A L S << S- 0 0 7 -4,-1.0 31,-0.0 -3,-0.6 30,-0.0 -0.521 73.3-119.2 -88.7 159.6 27.8 -2.7 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.127 45.3 -91.1 -75.0 171.0 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 81 2,-0.2 4,-1.4 1,-0.2 -2,-0.1 0.864 122.0 45.2 -54.7 -44.2 33.1 -4.4 6.1 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.8 1,-0.2 3,-0.3 0.944 112.5 49.9 -69.7 -46.3 35.7 -2.1 4.4 95 95 A R H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 105.3 57.1 -64.2 -34.0 33.2 -0.0 2.7 96 96 A R H X S+ 0 0 73 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.898 104.1 54.3 -57.3 -43.7 31.3 0.5 6.0 97 97 A A H X S+ 0 0 10 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.903 105.2 54.2 -55.6 -41.7 34.5 1.9 7.4 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.888 109.3 48.0 -61.6 -38.5 34.5 4.4 4.5 99 99 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.954 109.4 50.2 -67.5 -49.7 31.1 5.5 5.3 100 100 A I H X S+ 0 0 7 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.910 105.2 60.2 -53.3 -44.4 31.8 6.0 9.1 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.932 106.5 47.2 -47.6 -47.9 34.9 8.1 8.1 102 102 A M H X S+ 0 0 3 -4,-1.6 4,-2.8 2,-0.2 -1,-0.3 0.840 109.6 51.3 -65.0 -44.2 32.6 10.4 6.3 103 103 A V H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.921 110.3 50.7 -58.7 -41.2 30.1 10.6 9.3 104 104 A F H < S+ 0 0 33 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.958 116.6 40.7 -61.5 -51.1 33.0 11.4 11.6 105 105 A Q H < S+ 0 0 59 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.882 133.4 15.8 -62.7 -45.1 34.2 14.1 9.3 106 106 A M H X S- 0 0 48 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.395 102.3-111.8-121.2 6.3 30.9 15.7 8.2 107 107 A G H X - 0 0 31 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.150 35.1 -80.9 74.9 159.6 28.2 14.6 10.6 108 108 A E H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.812 132.1 50.1 -62.1 -33.6 25.2 12.3 9.9 109 109 A T H > S+ 0 0 113 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.917 105.2 54.4 -76.7 -43.9 23.5 15.1 8.4 110 110 A G H >< S+ 0 0 30 -4,-1.0 3,-0.7 1,-0.2 -2,-0.2 0.959 115.9 40.5 -55.4 -51.9 26.3 16.1 6.1 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.893 102.9 64.3 -64.6 -44.4 26.4 12.6 4.7 112 112 A A H 3< S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.791 97.0 66.5 -49.9 -26.0 22.7 11.9 4.6 113 113 A G T << S+ 0 0 54 -4,-1.1 2,-1.4 -3,-0.7 -1,-0.3 0.579 74.2 83.9 -71.5 -17.4 22.8 14.8 2.0 114 114 A F <> + 0 0 47 -3,-2.3 4,-2.6 1,-0.2 -1,-0.2 -0.315 58.2 159.4 -87.7 57.0 24.8 12.9 -0.7 115 115 A T H > + 0 0 84 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.821 65.5 43.3 -43.8 -62.0 21.6 11.3 -2.0 116 116 A N H > S+ 0 0 76 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.872 116.2 48.8 -58.8 -43.3 22.6 10.3 -5.5 117 117 A S H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.870 110.1 53.0 -62.7 -44.8 26.0 8.9 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.893 109.3 47.9 -58.2 -46.2 24.2 7.0 -1.5 119 119 A R H X S+ 0 0 120 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 111.2 50.8 -63.8 -42.5 21.8 5.4 -3.9 120 120 A M H <>S+ 0 0 18 -4,-1.9 5,-2.6 2,-0.2 4,-0.4 0.820 111.5 48.1 -58.3 -41.6 24.7 4.4 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-1.8 3,-1.4 2,-0.2 -1,-0.2 0.917 110.1 51.5 -64.8 -49.1 26.6 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.911 108.9 50.6 -55.1 -39.2 23.5 1.0 -2.3 123 123 A Q T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.538 113.1-122.1 -77.2 -5.7 23.2 -0.3 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.4 2,-0.9 -4,-0.4 -3,-0.2 0.780 62.6 148.2 66.3 33.3 26.9 -1.4 -5.7 125 125 A R >< + 0 0 128 -5,-2.6 4,-2.7 1,-0.2 5,-0.2 -0.681 18.8 173.0 -99.7 69.0 27.7 0.8 -8.7 126 126 A W H > + 0 0 51 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.848 69.0 46.8 -48.9 -56.1 31.3 1.6 -7.6 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 116.0 46.6 -61.9 -43.8 32.7 3.5 -10.6 128 128 A E H > S+ 0 0 109 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.964 110.8 49.5 -65.5 -47.4 29.7 5.7 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.906 109.1 55.9 -56.6 -36.9 29.4 6.5 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.914 109.6 43.3 -63.6 -42.8 33.1 7.5 -7.2 131 131 A V H X S+ 0 0 87 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.912 115.8 49.4 -64.1 -47.6 32.7 10.0 -9.9 132 132 A N H >< S+ 0 0 45 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.935 107.5 53.5 -60.3 -44.0 29.6 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 -5,-0.3 -1,-0.2 0.836 101.2 62.4 -57.6 -34.1 31.3 11.6 -4.9 134 134 A A H 3< S+ 0 0 29 -4,-1.2 2,-2.0 -5,-0.2 -1,-0.2 0.788 83.6 79.3 -68.5 -21.3 34.0 13.7 -6.5 135 135 A K S << S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 -0.418 79.9 102.7 -83.1 67.7 31.6 16.5 -7.6 136 136 A S S > S- 0 0 17 -2,-2.0 4,-2.3 1,-0.1 5,-0.1 -0.978 82.0-122.6-152.0 154.4 31.5 18.0 -4.1 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.899 114.9 61.2 -58.3 -41.0 32.8 20.8 -2.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.916 107.2 43.4 -48.1 -54.6 34.2 18.1 0.2 139 139 A Y H 4 S+ 0 0 51 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.7 50.3 -59.9 -47.9 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.840 115.9 40.4 -68.6 -29.2 37.4 20.2 -3.6 141 141 A Q H < S+ 0 0 100 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 131.1 22.8 -84.9 -41.2 38.4 21.4 -0.1 142 142 A T S X S+ 0 0 18 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 -0.565 73.4 162.7-125.2 69.4 40.1 18.3 1.1 143 143 A P H > + 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.826 69.9 49.9 -57.8 -41.6 41.1 16.5 -2.1 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.933 115.5 41.4 -69.1 -43.9 43.7 14.0 -0.6 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.970 115.3 51.0 -65.9 -48.7 41.6 12.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -8,-0.2 5,-0.2 0.934 106.6 55.5 -51.2 -48.9 38.5 12.6 -0.1 147 147 A K H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.905 107.1 52.3 -51.2 -39.9 40.5 10.6 -2.7 148 148 A R H X S+ 0 0 67 -4,-1.7 4,-1.1 -3,-0.2 -1,-0.2 0.913 111.1 43.3 -63.2 -45.7 41.3 8.1 0.0 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.892 111.7 56.6 -67.5 -39.4 37.8 7.6 1.1 150 150 A I H X S+ 0 0 14 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.863 105.9 47.7 -59.4 -41.6 36.7 7.4 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.2 4,-2.9 1,-0.2 6,-0.4 0.768 107.3 58.2 -71.2 -30.3 39.1 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.1 4,-2.8 -5,-0.2 -1,-0.2 0.939 109.5 42.7 -61.8 -48.8 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.840 116.9 49.8 -65.4 -36.9 34.4 2.9 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.906 126.5 21.2 -65.1 -50.0 35.6 2.0 -5.4 155 155 A T H < S- 0 0 45 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.630 85.7-136.5 -95.5 -29.6 37.7 -0.9 -4.6 156 156 A G S < S+ 0 0 15 -4,-2.8 2,-0.3 -5,-0.4 -62,-0.2 0.683 72.1 102.1 71.5 18.9 36.5 -2.2 -1.2 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.832 80.7-116.9-123.1 175.2 40.1 -2.7 -0.1 158 158 A W S > S+ 0 0 40 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.238 73.4 120.3 -91.9 16.9 42.6 -0.7 2.2 159 159 A D G > + 0 0 97 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.844 67.8 57.1 -53.2 -39.3 45.0 0.0 -0.7 160 160 A A G 3 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.586 105.9 52.1 -63.8 -18.1 44.8 3.8 -0.3 161 161 A Y G < 0 0 18 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.358 360.0 360.0-104.3 9.1 45.8 3.6 3.3 162 162 A K < 0 0 177 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.678 360.0 360.0-111.3 360.0 49.0 1.5 2.6