==== 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) 05-FEB-88 1L05 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.DAO-PIN,T.ALBER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 . 7 4.3 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 . 87 53.0 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 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 94 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.8 36.8 -23.6 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.3 1,-0.0 3,-0.3 -0.883 360.0 -86.2-139.8 177.8 34.6 -21.0 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.826 122.6 51.6 -59.0 -39.4 34.4 -17.2 11.4 4 4 A F H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 112.2 45.2 -68.8 -38.3 37.0 -17.0 14.2 5 5 A E H > S+ 0 0 90 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.862 113.4 51.0 -73.4 -34.9 39.6 -19.0 12.2 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.965 113.6 43.3 -64.3 -54.1 38.9 -17.0 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.858 108.4 58.0 -63.4 -32.6 39.2 -13.7 10.8 8 8 A R H X S+ 0 0 93 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.885 106.8 48.9 -69.2 -23.2 42.3 -14.7 12.7 9 9 A I H < S+ 0 0 59 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.919 116.1 45.1 -74.9 -44.0 44.0 -15.5 9.3 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.803 125.2 27.6 -69.3 -36.1 42.9 -12.0 8.1 11 11 A E H < S- 0 0 38 -4,-2.2 19,-0.3 -5,-0.2 -2,-0.2 0.683 90.7-152.9 -98.4 -34.8 43.8 -9.9 11.1 12 12 A G < - 0 0 19 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.218 25.5 -83.4 80.7-171.6 46.7 -11.8 12.9 13 13 A L + 0 0 45 16,-0.1 2,-0.3 -4,-0.1 16,-0.2 -0.984 43.9 170.4-138.8 121.6 47.5 -11.7 16.6 14 14 A R E -A 28 0A 126 14,-0.8 14,-2.8 -2,-0.4 4,-0.1 -0.993 17.9-166.9-134.6 123.9 49.6 -8.8 18.2 15 15 A L E S+ 0 0 63 -2,-0.3 43,-2.3 12,-0.2 2,-0.3 0.422 72.4 67.1 -94.2 -2.7 49.9 -8.5 21.9 16 16 A K E S-C 57 0B 121 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.924 100.6 -87.8-118.3 143.7 51.5 -5.0 21.7 17 17 A I E + 0 0 22 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.217 60.1 172.3 -51.5 133.0 49.8 -1.8 20.6 18 18 A Y E -A 26 0A 32 8,-2.7 8,-3.1 -4,-0.1 2,-0.4 -0.889 33.3 -98.7-137.4 170.1 50.3 -1.5 16.8 19 19 A K E -A 25 0A 130 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.887 33.1-129.4 -99.7 127.3 49.2 0.6 13.7 20 20 A D > - 0 0 55 4,-2.3 3,-1.6 -2,-0.4 -1,-0.1 0.070 39.9 -94.2 -41.3 172.9 46.4 -0.6 11.3 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.687 135.4 53.9 -67.3 -24.2 47.0 -0.7 7.5 22 22 A E T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.399 126.2-103.4 -87.0 -5.7 45.4 2.7 8.0 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.531 74.5 142.2 86.2 13.3 47.8 4.0 10.7 24 24 A Y - 0 0 69 1,-0.1 -4,-2.3 9,-0.0 2,-0.3 -0.646 59.1-105.1 -93.3 144.1 45.3 3.4 13.5 25 25 A Y E +AB 19 34A 30 9,-0.7 8,-3.4 11,-0.4 9,-1.3 -0.445 54.0 156.9 -61.7 123.7 46.1 2.2 16.9 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.7 -2,-0.3 2,-0.3 -0.859 20.7-167.7-140.2 165.7 45.0 -1.4 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 -12,-0.2 -0.981 52.9 2.4-150.1 162.5 45.8 -4.5 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 2,-1.1 -2,-0.3 -14,-0.8 -0.328 123.3 -4.1 69.4-131.7 45.1 -8.3 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.607 127.9 -54.4-101.5 73.3 43.1 -9.7 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.1 2,-1.0 -19,-0.3 -2,-0.2 0.772 82.0 161.0 61.2 35.9 42.3 -6.5 14.8 31 31 A H E < -B 27 0A 35 -4,-1.9 -4,-1.6 1,-0.0 -1,-0.2 -0.701 32.6-143.6 -87.3 102.7 40.7 -4.6 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.357 19.9-178.7 -62.9 125.2 40.8 -0.9 16.8 33 33 A L E - 0 0 16 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.887 59.7 -18.1 -93.9 -48.0 41.4 1.1 19.9 34 34 A T E -B 25 0A 26 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.991 36.8-143.9-151.9 153.0 41.4 4.8 18.6 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.0 -11,-0.2 -3,-0.0 0.415 74.5 109.7 -95.8 -4.2 41.6 6.7 15.3 36 36 A S S S- 0 0 38 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.442 75.0-128.9 -67.9 140.5 43.5 9.4 17.3 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.574 76.0 98.7 -76.3 -9.7 47.1 10.0 16.7 38 38 A S > - 0 0 56 1,-0.2 4,-2.0 -13,-0.0 -2,-0.1 -0.735 58.4-154.9 -90.8 129.9 48.2 9.8 20.4 39 39 A L H > S+ 0 0 71 -2,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.715 100.9 60.5 -60.9 -27.3 49.6 6.7 21.7 40 40 A N H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 101.2 47.6 -75.1 -41.1 48.4 8.1 24.9 41 41 A A H > S+ 0 0 32 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.928 113.7 52.1 -57.5 -42.3 44.8 8.2 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.914 107.9 49.9 -62.8 -41.8 45.3 4.6 22.6 43 43 A K H X S+ 0 0 44 -4,-2.3 4,-1.8 1,-0.2 11,-0.3 0.820 108.7 52.2 -67.7 -31.1 46.7 3.4 25.9 44 44 A S H X S+ 0 0 69 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.855 109.8 48.0 -72.8 -37.8 43.9 4.9 27.8 45 45 A E H X S+ 0 0 66 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.905 108.5 57.1 -69.6 -41.9 41.3 3.1 25.6 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.4 0.944 108.4 43.3 -50.2 -55.6 43.2 -0.1 26.1 47 47 A D H X>S+ 0 0 36 -4,-1.8 4,-1.4 1,-0.2 5,-0.8 0.787 113.6 53.3 -64.8 -32.2 43.1 -0.0 29.9 48 48 A K H <5S+ 0 0 139 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.883 111.2 47.0 -66.5 -41.9 39.4 1.0 29.7 49 49 A A H <5S+ 0 0 45 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.850 122.7 32.0 -71.8 -31.2 38.7 -2.0 27.4 50 50 A I H <5S- 0 0 39 -4,-2.0 -1,-0.2 2,-0.2 -3,-0.2 0.701 101.1-125.8 -99.9 -31.2 40.6 -4.6 29.5 51 51 A G T <5S+ 0 0 65 -4,-1.4 2,-0.3 1,-0.4 -3,-0.2 0.782 75.9 73.9 88.0 28.9 39.9 -3.2 32.9 52 52 A R S - 0 0 2 -2,-0.9 3,-1.6 -11,-0.3 -1,-0.2 0.681 33.2-144.6 -96.1 -23.9 48.1 -2.7 30.7 55 55 A N T 3 S- 0 0 125 1,-0.3 3,-0.1 -12,-0.2 -2,-0.1 0.841 76.4 -54.5 58.9 40.3 50.9 -0.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.539 120.3 102.8 70.3 10.7 50.2 -1.1 26.0 57 57 A V B < +C 16 0B 63 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.976 44.2 179.1-132.0 138.8 50.5 -4.8 26.5 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.823 25.4-114.1-128.8 163.4 47.9 -7.7 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.462 33.3-107.3 -90.2 169.8 47.9 -11.4 27.2 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 121.8 55.0 -62.2 -46.6 46.7 -14.0 24.6 61 61 A D H > S+ 0 0 110 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.863 107.9 47.8 -48.2 -47.4 43.7 -14.6 26.8 62 62 A E H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.886 109.5 53.8 -67.4 -40.1 42.8 -10.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -34,-0.4 0.910 109.8 47.3 -62.7 -45.1 43.2 -10.7 23.0 64 64 A E H X S+ 0 0 83 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.771 107.9 55.7 -68.4 -29.9 40.8 -13.6 22.6 65 65 A K H X S+ 0 0 121 -4,-1.2 4,-2.3 -5,-0.2 -2,-0.2 0.953 108.8 46.2 -65.3 -44.9 38.3 -12.1 24.9 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.860 111.8 54.0 -60.8 -36.3 38.2 -8.9 22.9 67 67 A F H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.946 105.6 51.4 -69.1 -41.7 37.9 -11.0 19.8 68 68 A N H X S+ 0 0 90 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.954 113.3 45.9 -54.3 -48.4 34.9 -12.8 21.3 69 69 A Q H X S+ 0 0 98 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.886 112.2 51.1 -60.6 -44.7 33.2 -9.5 22.0 70 70 A D H X S+ 0 0 33 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.885 110.6 46.4 -62.0 -46.3 34.1 -8.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.953 113.2 49.9 -61.4 -51.9 32.7 -11.0 16.6 72 72 A D H X S+ 0 0 82 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.910 111.4 49.5 -52.7 -42.9 29.4 -11.1 18.7 73 73 A A H X S+ 0 0 44 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.852 108.5 52.8 -68.8 -35.4 29.0 -7.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.955 112.7 44.4 -63.9 -51.2 29.5 -7.7 14.3 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.931 115.3 47.5 -57.4 -48.7 26.8 -10.4 14.1 76 76 A R H X S+ 0 0 134 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.886 110.7 53.2 -66.5 -30.6 24.4 -8.4 16.3 77 77 A G H X S+ 0 0 2 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.906 107.3 49.5 -70.9 -40.8 25.1 -5.4 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.4 0.937 110.0 53.6 -54.8 -48.0 24.2 -7.1 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.772 110.7 44.8 -63.0 -27.4 21.0 -8.4 12.7 80 80 A R H 3< S+ 0 0 185 -4,-1.4 2,-0.5 -3,-0.1 -1,-0.3 0.467 92.5 97.8 -92.5 -13.0 19.9 -4.9 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.5 0.847 101.7 66.8 -84.2 -43.1 22.2 -5.8 6.3 85 85 A K H X S+ 0 0 77 -4,-2.8 4,-2.6 -7,-0.4 5,-0.2 0.893 99.0 50.9 -48.7 -53.0 19.8 -8.2 7.9 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.859 112.6 45.7 -58.7 -38.1 17.9 -9.1 4.7 87 87 A V H >> S+ 0 0 2 -3,-0.5 4,-1.0 -4,-0.4 3,-0.5 0.951 112.5 50.9 -69.2 -45.3 21.1 -10.0 2.8 88 88 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.0 1,-0.3 -3,-0.2 0.932 110.1 50.3 -56.3 -48.4 22.5 -12.0 5.8 89 89 A D H 3< S+ 0 0 79 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.782 108.1 53.2 -62.0 -27.2 19.3 -14.0 6.1 90 90 A S H << S+ 0 0 34 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.678 97.0 90.2 -83.5 -20.0 19.3 -14.8 2.4 91 91 A L S << S- 0 0 6 -4,-1.0 31,-0.0 -3,-1.0 30,-0.0 -0.511 74.8-119.6 -83.6 153.9 22.8 -16.2 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.186 44.0 -90.9 -73.5 169.7 24.2 -19.7 3.1 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.844 122.8 44.6 -58.3 -44.2 26.6 -20.4 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.2 2,-0.2 3,-0.4 0.928 114.4 47.2 -66.2 -53.8 29.9 -19.8 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 104.9 61.3 -60.4 -33.6 28.8 -16.6 2.6 96 96 A R H X S+ 0 0 74 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.908 101.2 55.1 -56.7 -40.1 27.4 -15.4 5.9 97 97 A C H X S+ 0 0 17 -4,-1.2 4,-1.9 -3,-0.4 -1,-0.2 0.877 103.1 53.9 -56.6 -43.8 31.0 -15.6 7.1 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.844 109.4 48.3 -62.7 -33.7 32.2 -13.4 4.2 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.922 108.8 53.6 -70.6 -46.6 29.7 -10.6 5.2 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.910 106.8 52.2 -56.4 -39.7 30.7 -10.9 8.9 101 101 A N H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.910 108.9 49.9 -64.7 -46.6 34.4 -10.3 7.9 102 102 A M H X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.912 112.6 47.3 -56.5 -44.8 33.6 -7.2 5.9 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.909 110.5 51.9 -62.0 -42.9 31.6 -5.8 8.8 104 104 A F H < S+ 0 0 33 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.911 117.8 38.8 -61.3 -42.6 34.4 -6.6 11.3 105 105 A Q H < S+ 0 0 60 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.896 133.5 18.1 -75.7 -41.2 36.9 -4.8 9.1 106 106 A M H X S- 0 0 56 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.571 102.7-113.1-114.9 -11.1 34.9 -1.8 8.0 107 107 A G H X - 0 0 29 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.130 33.2 -81.8 86.4 155.3 31.9 -1.4 10.2 108 108 A E H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.810 129.8 52.2 -52.5 -47.3 28.1 -1.8 9.7 109 109 A T H > S+ 0 0 117 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.946 107.0 48.5 -63.0 -53.5 28.1 1.6 8.2 110 110 A G H < S+ 0 0 32 -4,-0.6 3,-0.5 1,-0.2 -2,-0.2 0.892 115.9 43.6 -57.6 -46.6 30.8 1.1 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.9 1,-0.2 -2,-0.2 0.906 104.1 62.8 -68.2 -39.8 29.3 -2.2 4.4 112 112 A A H 3< S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.721 96.8 64.4 -60.2 -16.9 25.6 -1.0 4.2 113 113 A G T 3< S+ 0 0 57 -4,-0.9 2,-1.4 -3,-0.5 -1,-0.3 0.495 74.0 86.5 -82.2 -10.2 27.0 1.5 1.7 114 114 A F <> + 0 0 43 -3,-2.9 4,-2.1 1,-0.2 3,-0.3 -0.355 58.8 160.3 -88.2 57.5 27.9 -1.2 -0.8 115 115 A T H > + 0 0 84 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.861 64.5 45.6 -43.8 -56.0 24.3 -0.8 -2.1 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.860 114.3 46.9 -67.6 -37.4 24.8 -2.4 -5.5 117 117 A S H > S+ 0 0 2 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.826 109.4 55.2 -68.3 -41.0 26.8 -5.4 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 107.8 49.9 -58.0 -47.3 24.4 -6.1 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.938 111.6 48.0 -56.6 -51.3 21.6 -6.2 -4.1 120 120 A M H X>S+ 0 0 26 -4,-1.9 5,-2.3 1,-0.2 4,-0.5 0.869 110.0 51.4 -62.7 -38.9 23.5 -8.6 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.1 3,-1.3 2,-0.2 -1,-0.2 0.926 108.4 52.4 -65.5 -41.6 24.4 -10.9 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.874 109.8 49.4 -58.1 -37.9 20.7 -11.0 -2.4 123 123 A Q H 3<5S- 0 0 100 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.487 113.4-121.2 -76.2 -9.3 19.9 -12.0 -6.0 124 124 A K T <<5 + 0 0 97 -3,-1.3 2,-1.1 -4,-0.5 -3,-0.2 0.779 62.9 145.7 65.2 37.2 22.5 -14.8 -5.9 125 125 A R >< + 0 0 125 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.750 20.3 173.1-102.3 78.7 24.4 -13.3 -8.8 126 126 A W H > + 0 0 47 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.895 69.5 46.2 -58.1 -47.4 27.8 -14.4 -7.4 127 127 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.899 114.2 47.7 -68.2 -39.8 30.1 -13.5 -10.3 128 128 A E H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.886 111.3 50.4 -65.9 -44.6 28.5 -10.1 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.844 107.1 54.7 -61.0 -37.0 28.7 -9.2 -7.3 130 130 A A H X S+ 0 0 10 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.886 110.1 47.9 -63.4 -40.1 32.5 -10.2 -7.1 131 131 A V H < S+ 0 0 92 -4,-1.5 4,-0.5 1,-0.2 3,-0.4 0.960 113.8 46.2 -63.8 -48.1 33.2 -7.8 -10.0 132 132 A N H >< S+ 0 0 46 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.851 108.5 54.9 -62.7 -44.3 31.2 -5.0 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.4 1,-0.2 -1,-0.2 0.815 100.7 61.9 -59.5 -32.9 32.9 -5.5 -4.9 134 134 A A T 3< S+ 0 0 25 -4,-1.1 2,-1.5 -3,-0.4 -1,-0.2 0.717 85.2 79.1 -72.7 -16.5 36.3 -5.2 -6.5 135 135 A K S < S+ 0 0 149 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 -0.507 79.9 94.1 -87.2 66.7 35.6 -1.7 -7.6 136 136 A S S > S- 0 0 20 -2,-1.5 4,-2.1 1,-0.1 5,-0.1 -0.985 85.6-113.7-154.3 158.3 36.2 -0.1 -4.2 137 137 A R H > S+ 0 0 137 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.905 115.3 65.2 -59.1 -43.2 38.8 1.6 -2.2 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.895 105.9 41.1 -44.4 -52.1 38.5 -1.5 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 115.4 50.9 -70.5 -41.2 39.9 -3.8 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.842 115.7 40.9 -64.0 -36.5 42.5 -1.2 -3.8 141 141 A Q H < S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 132.8 19.4 -82.9 -35.8 43.9 -0.7 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 -0.570 73.0 161.5-135.7 67.5 43.9 -4.4 1.0 143 143 A P H > + 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.802 68.8 53.0 -60.4 -43.1 43.7 -6.4 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.935 116.5 38.2 -63.7 -47.5 44.9 -9.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.926 115.6 53.3 -64.2 -47.3 42.4 -9.8 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.932 109.1 51.2 -55.3 -42.1 39.6 -8.3 -0.3 147 147 A K H X S+ 0 0 84 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.875 106.4 53.0 -65.8 -31.2 40.3 -11.0 -2.8 148 148 A R H X S+ 0 0 48 -4,-1.4 4,-1.5 -3,-0.3 12,-0.2 0.915 113.6 43.4 -65.5 -45.7 40.0 -13.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.932 112.8 52.0 -66.4 -44.9 36.6 -12.4 0.9 150 150 A I H X S+ 0 0 9 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.889 107.9 51.4 -59.8 -43.9 35.4 -11.9 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.0 4,-2.5 -5,-0.2 5,-0.4 0.853 106.6 55.7 -62.1 -36.9 36.4 -15.5 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.891 109.6 44.6 -63.1 -39.7 34.4 -16.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.848 115.8 48.2 -72.4 -36.8 31.3 -14.9 -1.9 154 154 A R H < S+ 0 0 87 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.929 124.6 28.0 -67.0 -45.1 31.8 -16.1 -5.5 155 155 A T H < S- 0 0 50 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.771 84.7-139.3 -91.5 -38.9 32.4 -19.8 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.0 -62,-0.2 -5,-0.4 2,-0.2 0.609 73.5 88.1 87.3 2.8 30.5 -20.4 -1.4 157 157 A D S S- 0 0 61 -6,-0.3 3,-0.4 -63,-0.1 -1,-0.3 -0.749 83.9-108.4-130.7 177.6 33.5 -22.5 -0.1 158 158 A W S > S+ 0 0 34 -2,-0.2 3,-1.6 1,-0.2 4,-0.4 0.137 71.3 119.2 -97.9 20.2 36.7 -22.0 1.9 159 159 A D T >> + 0 0 85 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.796 68.0 62.0 -58.3 -32.6 39.3 -22.5 -0.7 160 160 A A H 3> S+ 0 0 15 -3,-0.4 4,-0.6 1,-0.3 -1,-0.3 0.714 109.4 44.7 -64.2 -19.3 40.8 -19.0 -0.4 161 161 A Y H <4 S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.330 97.1 74.0-104.9 -1.6 41.6 -19.8 3.1 162 162 A K H <4 S+ 0 0 132 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.691 96.0 50.7 -79.3 -38.5 43.0 -23.3 2.5 163 163 A N H < 0 0 127 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.989 360.0 360.0 -57.2 -66.0 46.1 -22.0 1.0 164 164 A L < 0 0 113 -4,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.008 360.0 360.0 -55.5 360.0 46.5 -19.7 4.1