==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 01-MAY-89 1L22 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR H.NICHOLSON,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 72.6 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 7.3 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 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 1 1 1 0 2 1 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 74 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 148.3 36.7 -23.3 8.9 2 2 A N > - 0 0 69 95,-0.0 4,-2.5 1,-0.0 5,-0.2 -0.870 360.0 -85.2-144.5 175.1 34.5 -20.9 10.8 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.870 123.8 50.7 -53.4 -43.2 34.2 -17.1 11.3 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 113.0 44.0 -63.9 -43.5 36.8 -17.0 14.1 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.895 113.3 53.6 -66.9 -40.1 39.4 -18.9 12.1 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 113.8 40.1 -59.0 -51.5 38.6 -16.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.4 0.845 108.6 60.8 -71.9 -31.4 39.1 -13.5 10.8 8 8 A R H X S+ 0 0 106 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.887 108.0 47.5 -61.6 -33.0 42.1 -14.8 12.7 9 9 A I H < S+ 0 0 55 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.954 114.7 44.2 -70.6 -45.0 43.7 -15.3 9.3 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.768 125.5 29.2 -72.2 -28.2 42.8 -11.9 8.0 11 11 A E H < S- 0 0 35 -4,-2.2 19,-0.3 -5,-0.1 -1,-0.2 0.714 91.3-152.8-104.0 -30.6 43.7 -9.8 11.0 12 12 A G < - 0 0 19 -4,-1.7 2,-0.4 -5,-0.4 18,-0.1 -0.145 26.0 -82.7 78.8-177.4 46.5 -11.7 12.7 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.991 44.1 172.5-128.8 124.9 47.2 -11.6 16.4 14 14 A R E -A 28 0A 129 14,-1.5 14,-2.1 -2,-0.4 4,-0.1 -1.000 17.9-166.9-134.3 132.1 49.2 -8.9 18.0 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.347 74.5 62.0 -98.3 1.8 49.7 -8.4 21.8 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.959 101.1 -88.9-126.3 143.7 51.2 -4.9 21.7 17 17 A I E + 0 0 18 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.174 58.2 169.4 -48.9 143.5 49.4 -1.8 20.4 18 18 A Y E -A 26 0A 28 8,-2.8 8,-2.9 -4,-0.1 2,-0.5 -0.932 36.0-101.9-150.4 169.5 50.1 -1.4 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.849 31.6-139.2-100.6 138.5 48.9 0.5 13.8 20 20 A D > - 0 0 47 4,-3.2 3,-1.9 -2,-0.5 -1,-0.0 -0.190 40.2 -86.4 -79.0-179.4 46.6 -1.0 11.3 21 21 A T T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.767 131.2 54.2 -61.9 -24.7 46.9 -0.5 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.482 124.4-105.4 -84.4 -6.7 44.9 2.7 7.8 23 23 A G S < S+ 0 0 35 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.524 74.0 140.5 95.4 8.8 47.2 3.9 10.4 24 24 A Y - 0 0 76 1,-0.1 -4,-3.2 -5,-0.1 2,-0.3 -0.628 59.8-102.4 -94.0 151.3 45.0 3.4 13.4 25 25 A Y E +AB 19 34A 33 9,-0.9 8,-3.1 11,-0.4 9,-1.4 -0.506 53.4 161.0 -69.0 120.7 45.9 2.2 16.8 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-2.8 -2,-0.3 2,-0.3 -0.851 18.8-170.9-137.6 161.2 44.8 -1.5 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 -12,-0.2 -0.968 53.7 2.9-150.7 162.0 45.6 -4.5 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.5 -2,-0.3 2,-1.0 -0.336 122.9 -5.4 66.0-133.2 44.8 -8.2 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.676 126.9 -53.4-100.7 75.6 42.8 -9.6 16.6 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.749 83.6 161.4 65.8 28.1 42.0 -6.5 14.6 31 31 A H E < -B 27 0A 32 -4,-1.8 -4,-1.5 -20,-0.0 2,-0.2 -0.691 33.2-141.8 -84.9 104.1 40.4 -4.7 17.6 32 32 A L E -B 26 0A 67 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.424 20.2-176.9 -63.8 128.5 40.4 -1.0 16.7 33 33 A L E - 0 0 13 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.922 58.1 -25.6 -93.6 -51.5 41.2 1.2 19.6 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.9 2,-0.1 -1,-0.3 -0.977 35.7-137.8-160.2 149.9 40.9 4.7 18.4 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.509 76.0 111.3 -85.5 -5.4 41.1 6.7 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.367 72.2-132.5 -71.6 146.4 43.0 9.3 17.2 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.678 76.3 102.9 -69.6 -21.5 46.7 10.0 16.6 38 38 A S > - 0 0 51 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.585 55.1-163.1 -77.6 118.2 47.5 9.9 20.2 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.765 98.4 57.1 -60.8 -25.0 49.2 6.8 21.4 40 40 A N H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 101.9 50.2 -73.8 -44.7 48.1 8.0 24.7 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.894 111.6 53.6 -55.6 -37.7 44.5 8.2 23.7 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.884 106.3 49.4 -64.8 -41.8 45.2 4.6 22.6 43 43 A K H X S+ 0 0 49 -4,-2.1 4,-1.9 1,-0.2 11,-0.3 0.833 110.6 50.4 -69.9 -29.3 46.5 3.4 25.9 44 44 A S H X S+ 0 0 72 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.884 109.4 49.7 -71.5 -44.0 43.6 4.8 27.8 45 45 A E H X S+ 0 0 65 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.933 110.5 53.4 -60.8 -43.5 41.1 3.2 25.5 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.923 109.0 45.5 -56.0 -51.9 42.9 -0.0 26.0 47 47 A D H X>S+ 0 0 36 -4,-1.9 4,-2.8 2,-0.2 5,-0.7 0.875 113.4 51.9 -60.9 -39.0 42.9 0.1 29.8 48 48 A K H <5S+ 0 0 145 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 111.7 46.6 -61.5 -47.2 39.2 1.0 29.6 49 49 A A H <5S+ 0 0 45 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.825 121.1 36.4 -66.2 -32.7 38.5 -1.9 27.3 50 50 A I H <5S- 0 0 35 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.753 98.5-129.2 -94.0 -28.0 40.5 -4.5 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.749 78.3 79.9 83.6 22.6 39.7 -3.1 32.9 52 52 A R S - 0 0 7 -2,-0.9 3,-1.6 -11,-0.3 -1,-0.2 0.683 31.1-147.1 -97.9 -20.6 47.9 -2.6 30.4 55 55 A N T 3 S- 0 0 125 1,-0.3 -2,-0.1 -12,-0.2 -11,-0.1 0.944 74.2 -52.7 52.2 49.8 50.5 -0.3 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.532 120.0 95.7 67.4 7.2 49.9 -1.1 25.8 57 57 A V B < -C 16 0B 61 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.985 46.6-179.5-135.3 144.5 50.2 -4.8 26.2 58 58 A I - 0 0 3 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.892 25.8-111.2-134.6 163.3 47.8 -7.6 26.7 59 59 A T >> - 0 0 69 -2,-0.3 4,-2.2 1,-0.1 3,-0.6 -0.505 35.8-105.0 -90.6 163.0 47.7 -11.4 27.1 60 60 A K H 3> S+ 0 0 109 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.885 121.7 54.3 -50.2 -47.1 46.4 -14.0 24.6 61 61 A D H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.843 106.9 49.6 -56.4 -42.3 43.4 -14.5 26.7 62 62 A E H <> S+ 0 0 35 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.884 110.3 50.7 -66.6 -42.4 42.5 -10.8 26.7 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -34,-0.4 0.881 111.2 48.8 -63.4 -39.5 42.9 -10.6 22.9 64 64 A E H X S+ 0 0 77 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.841 108.5 52.9 -70.4 -31.6 40.6 -13.6 22.6 65 65 A K H X S+ 0 0 135 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.956 110.0 47.4 -67.2 -46.3 38.1 -12.1 24.9 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.900 111.3 53.7 -57.9 -39.9 38.0 -8.8 22.8 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.949 105.7 51.2 -61.9 -50.5 37.7 -10.9 19.7 68 68 A N H X S+ 0 0 91 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.933 112.2 48.7 -55.3 -41.8 34.7 -12.8 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.886 110.5 48.7 -64.6 -40.4 33.1 -9.5 21.8 70 70 A D H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.840 112.1 48.5 -69.7 -35.1 33.8 -8.0 18.4 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.949 113.3 47.7 -69.2 -46.5 32.4 -11.0 16.6 72 72 A D H X S+ 0 0 84 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.947 113.4 47.8 -60.9 -45.5 29.3 -11.0 18.7 73 73 A A H X S+ 0 0 43 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 0.888 110.0 52.6 -64.6 -36.3 28.8 -7.4 18.2 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.943 111.7 46.3 -63.0 -47.0 29.4 -7.7 14.4 75 75 A V H X S+ 0 0 34 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.940 114.1 46.9 -58.6 -50.3 26.7 -10.4 14.2 76 76 A R H X S+ 0 0 111 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.870 109.4 56.0 -61.3 -36.3 24.2 -8.5 16.3 77 77 A G H X S+ 0 0 2 -4,-2.2 4,-0.7 -5,-0.3 3,-0.3 0.921 107.4 47.6 -63.8 -42.3 24.8 -5.3 14.3 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 7,-0.4 0.917 111.8 51.1 -62.0 -43.5 24.0 -7.1 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.729 112.1 46.1 -68.1 -24.7 20.8 -8.5 12.6 80 80 A R H 3< S+ 0 0 167 -4,-1.5 2,-0.6 -3,-0.3 -1,-0.3 0.416 93.6 97.0 -91.3 -12.2 19.7 -5.1 13.9 81 81 A N > S+ 0 0 0 -7,-0.2 4,-2.6 -6,-0.2 3,-0.6 0.875 100.2 67.4 -83.1 -40.4 22.0 -5.8 6.3 85 85 A K H 3X S+ 0 0 79 -4,-2.6 4,-2.9 -7,-0.4 5,-0.2 0.866 98.4 50.5 -47.3 -49.6 19.6 -8.3 7.9 86 86 A P H 3> S+ 0 0 52 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.853 112.1 48.1 -63.4 -35.2 17.7 -9.2 4.7 87 87 A V H X> S+ 0 0 2 -3,-0.6 4,-0.7 -4,-0.5 3,-0.5 0.934 111.6 49.5 -68.3 -47.6 20.9 -9.9 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.950 110.1 51.1 -54.5 -50.5 22.3 -12.0 5.7 89 89 A D H 3< S+ 0 0 79 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.750 106.9 55.4 -60.1 -26.2 19.0 -14.0 5.9 90 90 A S H << S+ 0 0 54 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.589 95.5 86.8 -86.0 -7.6 19.2 -14.7 2.2 91 91 A L S << S- 0 0 7 -3,-1.7 31,-0.0 -4,-0.7 30,-0.0 -0.591 74.7-117.1 -96.1 158.0 22.7 -16.2 2.3 92 92 A D > - 0 0 60 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.120 47.0 -91.0 -73.5 176.3 24.1 -19.7 2.9 93 93 A A H > S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.806 122.5 48.3 -65.4 -31.6 26.4 -20.3 5.9 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.3 62,-0.2 3,-0.5 0.939 112.1 48.2 -74.0 -46.6 29.7 -19.6 4.1 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.816 104.1 61.8 -62.1 -31.2 28.6 -16.4 2.5 96 96 A R H X S+ 0 0 77 -4,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.917 101.5 52.7 -59.6 -41.3 27.2 -15.3 5.8 97 97 A C H X S+ 0 0 17 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.858 105.1 55.1 -63.0 -35.2 30.8 -15.4 7.2 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.856 108.1 47.7 -67.2 -34.3 32.0 -13.3 4.3 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.894 110.8 52.2 -72.5 -36.7 29.4 -10.6 5.2 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.927 106.8 54.0 -61.8 -40.4 30.4 -10.8 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.947 109.2 47.2 -57.5 -49.9 34.1 -10.3 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.921 112.9 49.4 -58.0 -46.4 33.3 -7.1 6.0 103 103 A V H X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.904 108.4 52.5 -63.0 -40.2 31.2 -5.8 8.9 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.916 118.0 38.3 -61.3 -39.7 34.0 -6.5 11.4 105 105 A Q H < S+ 0 0 61 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 131.7 21.3 -80.0 -44.5 36.5 -4.6 9.2 106 106 A M H X S- 0 0 49 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.428 102.9-116.7-112.5 5.3 34.5 -1.7 8.0 107 107 A G H X - 0 0 34 -4,-1.9 4,-1.9 -5,-0.3 3,-0.2 0.262 34.8 -79.1 71.5 153.2 31.6 -1.4 10.4 108 108 A E H > S+ 0 0 55 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.873 128.3 53.0 -49.3 -49.5 27.8 -1.7 9.7 109 109 A T H > S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.907 107.4 49.0 -60.6 -44.4 27.6 1.6 8.2 110 110 A G H < S+ 0 0 30 -4,-0.6 3,-0.4 -3,-0.2 -1,-0.2 0.910 114.6 43.6 -66.4 -39.9 30.3 1.2 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-3.2 1,-0.2 -2,-0.2 0.918 105.1 63.9 -70.5 -39.7 29.0 -2.1 4.5 112 112 A A H 3< S+ 0 0 15 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.766 94.1 64.5 -56.0 -21.1 25.5 -0.8 4.4 113 113 A G T 3< S+ 0 0 55 -4,-1.0 2,-1.5 -3,-0.4 3,-0.3 0.547 74.9 88.5 -78.2 -7.1 26.8 1.7 1.8 114 114 A F <> + 0 0 38 -3,-3.2 4,-2.6 1,-0.2 5,-0.3 -0.292 55.4 156.9 -87.3 55.3 27.5 -1.2 -0.7 115 115 A T H > + 0 0 90 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.892 66.7 43.2 -43.9 -58.6 23.9 -0.8 -1.9 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.866 115.0 47.5 -63.4 -41.2 24.4 -2.3 -5.3 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.871 110.6 53.7 -66.2 -41.6 26.6 -5.3 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.908 107.8 51.1 -57.4 -45.0 24.1 -6.0 -1.4 119 119 A R H X S+ 0 0 118 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.928 111.2 47.7 -60.5 -45.0 21.3 -6.1 -3.9 120 120 A M H <>S+ 0 0 24 -4,-1.8 5,-2.5 2,-0.2 4,-0.3 0.908 110.4 51.1 -66.3 -40.9 23.2 -8.5 -6.1 121 121 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.934 108.4 53.5 -64.1 -39.8 24.1 -10.8 -3.2 122 122 A Q H 3<5S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.882 108.8 47.8 -63.6 -33.1 20.5 -10.9 -2.2 123 123 A Q T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.447 115.3-118.1 -86.1 4.4 19.5 -11.9 -5.6 124 124 A G T < 5 + 0 0 31 -3,-1.9 2,-1.2 -4,-0.3 -3,-0.2 0.757 62.9 147.7 66.2 32.7 22.2 -14.6 -5.6 125 125 A R >< + 0 0 116 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.690 18.6 173.1 -99.1 79.9 24.1 -13.1 -8.5 126 126 A W H > + 0 0 66 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.880 69.9 44.3 -55.7 -52.9 27.6 -14.2 -7.3 127 127 A D H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 114.7 50.1 -64.2 -41.5 29.8 -13.2 -10.2 128 128 A E H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.918 111.6 48.1 -66.3 -40.8 28.1 -9.9 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.875 107.2 55.5 -66.3 -38.1 28.5 -9.1 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.926 109.8 47.8 -58.8 -44.4 32.2 -10.1 -7.0 131 131 A V H < S+ 0 0 90 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.857 114.0 46.7 -66.1 -37.8 32.9 -7.7 -9.9 132 132 A N H >< S+ 0 0 43 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.881 107.3 55.0 -74.4 -39.3 30.9 -4.9 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.2 -1,-0.2 0.856 99.5 63.2 -61.0 -30.5 32.5 -5.3 -4.8 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.7 1,-0.2 -1,-0.2 0.701 84.8 78.9 -68.9 -18.8 36.0 -4.9 -6.4 135 135 A K S < S+ 0 0 155 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 -0.506 79.9 98.7 -87.2 65.2 35.1 -1.4 -7.4 136 136 A S S > S- 0 0 18 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.987 83.9-119.2-149.3 157.3 35.8 0.0 -4.0 137 137 A R H > S+ 0 0 142 -2,-0.3 4,-3.7 1,-0.2 5,-0.3 0.932 115.4 63.6 -58.6 -41.9 38.3 1.8 -2.0 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 106.4 40.7 -45.2 -53.8 38.2 -1.3 0.2 139 139 A Y H 4 S+ 0 0 55 -6,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.895 116.4 49.4 -66.7 -45.7 39.4 -3.5 -2.5 140 140 A N H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 115.1 44.3 -65.3 -34.4 42.0 -1.0 -3.8 141 141 A Q H < S+ 0 0 108 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.868 130.7 17.9 -79.0 -40.2 43.4 -0.4 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 -0.485 73.2 164.0-130.7 64.1 43.6 -4.0 1.0 143 143 A P H > + 0 0 48 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.758 67.3 54.2 -54.7 -38.7 43.4 -6.1 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.940 116.5 37.5 -65.7 -45.3 44.7 -9.5 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.936 116.3 52.6 -67.4 -49.2 42.2 -9.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.920 108.6 52.5 -54.0 -43.4 39.4 -8.1 -0.1 147 147 A K H X S+ 0 0 90 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.858 107.1 51.9 -61.0 -38.6 40.1 -10.8 -2.7 148 148 A R H X S+ 0 0 52 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.930 113.6 43.1 -62.0 -44.5 39.8 -13.5 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.899 113.3 52.1 -67.6 -41.4 36.4 -12.2 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.925 108.2 50.7 -61.8 -46.7 35.2 -11.6 -2.5 151 151 A T H X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.807 106.3 56.5 -59.9 -35.4 36.1 -15.2 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.919 110.5 43.7 -63.2 -42.8 34.2 -16.4 -0.6 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.852 115.5 50.1 -68.9 -35.4 31.1 -14.6 -1.9 154 154 A R H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.924 125.7 21.1 -67.8 -50.0 31.7 -15.8 -5.4 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.676 84.8-136.1 -98.2 -26.3 32.2 -19.4 -4.7 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.2 -5,-0.4 -62,-0.2 0.751 72.4 98.6 76.0 15.6 30.5 -20.1 -1.5 157 157 A T S S- 0 0 52 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.758 82.2-114.4-127.3 177.3 33.5 -22.3 -0.3 158 158 A W S >> S+ 0 0 27 -2,-0.2 3,-1.6 1,-0.2 4,-0.7 0.144 72.5 123.0 -99.2 19.1 36.5 -21.7 1.8 159 159 A D H >> + 0 0 98 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.847 66.6 59.3 -46.2 -44.3 38.9 -22.2 -1.0 160 160 A A H 34 S+ 0 0 11 -3,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.732 113.4 37.5 -60.0 -26.1 40.5 -18.7 -0.4 161 161 A Y H <4 S+ 0 0 1 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.371 96.1 81.3-105.4 -2.7 41.5 -19.6 3.0 162 162 A K H << S+ 0 0 134 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.631 92.1 53.2 -82.0 -13.4 42.5 -23.2 2.5 163 163 A N < 0 0 130 -4,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.948 360.0 360.0 -66.2 -63.2 45.7 -22.1 1.2 164 164 A L 0 0 122 -4,-0.3 -2,-0.2 0, 0.0 -1,-0.1 0.563 360.0 360.0 -58.5 360.0 46.5 -20.0 4.3