==== 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) 06-MAY-91 1L60 . 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) . 8709.0 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 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 70 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.2 43.5 -1.8 9.1 2 2 A N > - 0 0 68 95,-0.0 4,-2.1 1,-0.0 5,-0.2 -0.854 360.0 -83.9-144.8 175.6 40.3 -0.9 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.848 124.4 52.3 -55.5 -40.8 38.1 2.3 11.5 4 4 A F H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.5 42.9 -64.1 -48.4 40.4 3.6 14.2 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 113.6 54.8 -67.5 -30.7 43.7 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.946 111.9 41.4 -66.7 -48.9 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.808 109.7 59.4 -67.1 -31.9 40.7 7.9 11.0 8 8 A R H X S+ 0 0 103 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.884 107.1 48.4 -65.7 -33.0 44.0 8.3 12.9 9 9 A I H < S+ 0 0 53 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.944 116.2 41.2 -70.0 -46.5 45.7 8.6 9.5 10 10 A D H < S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.788 125.3 32.8 -72.4 -31.0 43.2 11.1 8.1 11 11 A E H < S- 0 0 32 -4,-2.3 19,-0.3 -5,-0.1 -1,-0.2 0.692 90.1-155.2-101.0 -29.2 42.8 13.3 11.1 12 12 A G < - 0 0 19 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.182 25.0 -86.1 77.0-172.4 46.2 13.1 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.964 41.7 173.4-139.5 124.2 46.7 13.7 16.6 14 14 A R E -A 28 0A 130 14,-1.8 14,-2.0 -2,-0.4 4,-0.1 -0.999 17.6-164.5-132.5 130.3 47.2 17.1 18.2 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.0 12,-0.2 2,-0.3 0.365 74.0 61.5 -95.1 3.4 47.3 17.6 21.9 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.930 102.0 -85.5-126.6 145.8 46.8 21.4 21.9 17 17 A I E + 0 0 19 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.305 59.4 169.8 -52.0 134.9 43.7 23.3 20.6 18 18 A Y E -A 26 0A 31 8,-2.7 8,-3.1 -4,-0.1 2,-0.4 -0.850 35.6-104.8-139.5 172.5 44.2 23.9 16.9 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.875 33.5-138.5-103.4 134.6 42.1 25.0 13.9 20 20 A D > - 0 0 48 4,-2.8 3,-1.6 -2,-0.4 -1,-0.1 -0.034 40.4 -80.9 -77.0-170.8 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.797 134.3 49.8 -67.0 -24.0 40.8 22.8 7.7 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.440 123.5-105.9 -89.5 -2.7 37.6 24.8 8.0 23 23 A G S < S+ 0 0 37 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.571 73.3 141.4 87.2 17.4 39.2 27.1 10.6 24 24 A Y - 0 0 76 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.713 60.6 -99.9 -96.4 148.6 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.2 11,-0.4 9,-1.3 -0.430 55.4 162.2 -66.0 123.0 38.7 25.0 17.0 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.7 6,-0.3 2,-0.3 -0.874 19.0-168.6-139.6 162.8 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 -12,-0.2 -0.986 51.9 1.4-151.4 160.9 41.6 19.1 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.0 -14,-1.8 -2,-0.3 2,-1.0 -0.368 123.2 -6.1 68.3-134.1 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.644 128.4 -52.0 -98.8 73.5 42.0 13.2 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.804 83.5 161.1 68.7 27.7 39.6 15.5 14.8 31 31 A H E < -B 27 0A 34 -4,-1.9 -4,-1.5 1,-0.0 -1,-0.2 -0.697 33.4-142.3 -85.8 102.3 37.4 16.3 17.8 32 32 A L E -B 26 0A 69 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.283 19.2-175.7 -57.9 132.4 35.5 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.885 57.8 -28.5 -98.3 -44.7 35.1 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.957 36.8-135.3-165.5 152.6 33.0 24.7 18.5 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.437 75.5 111.8 -93.8 0.2 32.3 26.6 15.3 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.440 71.8-132.7 -73.9 145.3 32.6 29.8 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.586 76.3 102.6 -75.0 -13.7 35.5 32.2 16.7 38 38 A S > - 0 0 51 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.648 56.2-161.6 -81.9 121.6 36.2 32.6 20.3 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.763 98.0 58.2 -66.7 -21.7 39.2 30.6 21.7 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 102.1 49.6 -74.4 -40.6 37.6 31.2 24.9 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.897 112.7 50.7 -60.5 -40.1 34.4 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.896 107.6 51.1 -63.7 -44.7 36.7 26.6 22.7 43 43 A K H X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.2 11,-0.3 0.884 111.2 49.6 -63.8 -35.4 38.6 26.4 26.0 44 44 A S H X S+ 0 0 72 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 109.5 48.8 -69.9 -41.8 35.4 26.2 27.8 45 45 A E H X S+ 0 0 66 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.905 110.7 55.0 -61.5 -41.0 33.9 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.924 107.9 45.8 -60.0 -44.8 37.2 21.6 26.0 47 47 A D H X>S+ 0 0 38 -4,-1.9 4,-2.2 1,-0.2 5,-0.7 0.864 111.4 52.7 -68.6 -34.1 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 146 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.899 110.6 49.0 -62.9 -44.8 33.3 20.6 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.852 120.6 33.8 -64.3 -37.7 34.3 17.6 27.4 50 50 A I H <5S- 0 0 39 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.725 99.2-127.7 -95.5 -26.9 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 68 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.754 76.9 75.6 84.6 23.8 35.9 17.3 33.1 52 52 A R S - 0 0 6 -2,-0.9 3,-1.2 -11,-0.3 -1,-0.2 0.711 32.2-144.2 -98.5 -21.3 42.8 21.9 30.8 55 55 A N T 3 S- 0 0 126 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.938 75.3 -53.3 57.7 45.1 44.0 25.3 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.1 2,-0.4 0.523 120.0 97.2 69.2 10.0 43.8 24.2 26.1 57 57 A V B < +C 16 0B 63 -3,-1.2 2,-0.2 -41,-0.2 -41,-0.2 -0.995 45.2 177.9-134.0 139.9 45.9 21.1 26.5 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.4 -30,-0.1 -0.807 26.8-111.4-128.7 167.1 45.0 17.4 27.0 59 59 A T > - 0 0 66 -2,-0.2 4,-2.2 1,-0.1 3,-0.2 -0.517 34.3-102.9 -94.5 170.1 47.0 14.1 27.3 60 60 A K H > S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.893 123.1 52.5 -56.5 -47.7 47.2 11.2 24.8 61 61 A D H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.871 108.5 50.1 -56.2 -43.9 44.8 9.1 26.9 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 110.7 50.3 -65.4 -39.8 42.3 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -34,-0.4 0.885 110.9 49.2 -63.3 -42.0 42.5 12.3 23.1 64 64 A E H X S+ 0 0 76 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.839 108.6 52.6 -69.1 -32.1 42.0 8.6 22.7 65 65 A K H X S+ 0 0 134 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.955 109.2 47.7 -65.6 -48.9 39.0 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.6 53.9 -53.7 -46.0 37.3 11.5 23.0 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.918 106.0 50.3 -58.2 -48.4 38.1 9.5 19.9 68 68 A N H X S+ 0 0 92 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.935 112.6 48.8 -56.8 -42.1 36.4 6.3 21.2 69 69 A Q H X S+ 0 0 93 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 111.0 48.8 -62.8 -43.0 33.4 8.4 22.0 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.787 110.6 49.0 -67.5 -35.2 33.2 10.1 18.6 71 71 A V H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.942 113.7 47.4 -69.3 -47.2 33.6 6.8 16.6 72 72 A D H X S+ 0 0 85 -4,-1.9 4,-2.6 -5,-0.3 5,-0.3 0.936 112.5 48.1 -57.4 -49.2 30.8 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.899 110.1 54.2 -62.4 -37.7 28.6 8.2 18.3 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.958 111.8 42.8 -60.4 -52.3 29.3 8.2 14.5 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.925 115.1 49.8 -55.9 -48.6 28.2 4.6 14.1 76 76 A R H X S+ 0 0 110 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.845 109.0 54.1 -61.7 -36.5 25.1 5.0 16.4 77 77 A G H X S+ 0 0 4 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.927 108.3 47.5 -66.3 -44.2 24.2 8.1 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 7,-0.4 0.946 110.1 52.9 -60.8 -46.9 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.779 111.4 47.3 -60.9 -27.1 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 175 -4,-1.5 2,-0.6 -3,-0.2 -1,-0.3 0.463 93.4 93.3 -90.8 -7.2 19.5 5.8 13.7 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.5 0.853 101.1 68.0 -87.0 -41.7 22.0 6.1 6.2 85 85 A K H 3X S+ 0 0 76 -4,-2.6 4,-2.9 -7,-0.4 5,-0.2 0.896 98.6 50.5 -50.5 -48.1 21.1 2.9 7.8 86 86 A P H 3> S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.849 111.8 48.5 -63.7 -32.7 20.0 1.1 4.7 87 87 A V H <> S+ 0 0 2 -3,-0.5 4,-1.0 -4,-0.4 3,-0.2 0.956 112.3 48.2 -69.9 -46.9 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 33 -4,-2.4 3,-1.3 1,-0.2 -3,-0.2 0.937 109.8 52.2 -54.7 -51.2 25.4 0.9 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.9 53.6 -57.6 -33.1 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.698 95.8 90.3 -74.7 -19.9 24.0 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-1.3 31,-0.0 -4,-1.0 30,-0.0 -0.489 74.6-118.9 -85.8 154.6 27.8 -2.6 2.5 92 92 A D > - 0 0 56 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.113 44.7 -93.3 -71.6 174.1 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.869 122.3 47.6 -65.8 -33.3 33.0 -4.4 6.1 94 94 A V H > S+ 0 0 28 2,-0.2 4,-1.1 62,-0.2 3,-0.5 0.957 112.7 47.8 -69.5 -48.8 35.6 -2.3 4.3 95 95 A R H > S+ 0 0 24 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.828 103.2 62.8 -63.0 -32.6 33.1 0.0 2.6 96 96 A R H X S+ 0 0 79 -4,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.897 99.9 55.2 -59.4 -37.8 31.3 0.5 5.9 97 97 A C H X S+ 0 0 16 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.2 0.865 103.0 54.9 -62.4 -36.5 34.5 2.1 7.2 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.2 -1,-0.2 0.885 110.1 46.5 -62.0 -41.8 34.4 4.6 4.2 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.914 110.4 51.2 -69.6 -42.1 30.9 5.7 5.2 100 100 A I H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.911 107.4 55.6 -60.9 -37.2 31.8 6.0 8.8 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.955 107.4 48.1 -59.0 -48.0 34.8 8.2 7.8 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.905 112.0 49.7 -58.8 -44.6 32.5 10.6 5.9 103 103 A V H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.898 108.8 52.2 -61.6 -42.4 30.1 10.9 8.8 104 104 A F H < S+ 0 0 31 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.879 117.0 39.4 -62.2 -38.7 32.9 11.6 11.2 105 105 A Q H < S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.871 133.6 16.8 -79.7 -43.4 34.2 14.4 9.0 106 106 A M H X S- 0 0 51 -4,-2.7 4,-0.7 -5,-0.2 -3,-0.2 0.527 101.1-117.9-116.2 -3.6 31.0 16.0 7.9 107 107 A G H X - 0 0 32 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.156 36.9 -75.8 80.2 157.9 28.2 14.9 10.2 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.865 130.5 54.5 -51.0 -44.1 25.0 12.9 9.4 109 109 A T H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.955 106.9 45.8 -63.2 -48.0 23.6 15.9 7.9 110 110 A G H >< S+ 0 0 30 -4,-0.7 3,-0.8 1,-0.2 -1,-0.2 0.857 112.5 52.1 -62.5 -38.3 26.3 16.7 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.2 -1,-0.2 0.905 99.2 65.1 -66.4 -38.8 26.5 13.0 4.3 112 112 A A H 3< S+ 0 0 22 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.759 88.2 67.4 -57.0 -23.7 22.8 13.0 3.7 113 113 A A T << S+ 0 0 84 -3,-0.8 3,-0.4 -4,-0.7 -1,-0.3 0.550 81.7 80.3 -72.1 -8.8 23.1 15.6 0.8 114 114 A F X> + 0 0 30 -3,-2.5 4,-2.7 1,-0.2 3,-0.6 -0.082 56.1 143.0 -89.4 37.7 24.9 12.9 -1.1 115 115 A T H 3> + 0 0 88 -3,-0.4 4,-1.9 1,-0.3 -1,-0.2 0.843 68.0 47.4 -39.6 -56.7 21.6 11.4 -2.0 116 116 A N H 3> S+ 0 0 87 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.847 114.4 45.7 -60.3 -40.4 22.6 10.3 -5.5 117 117 A S H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.871 109.0 55.0 -71.5 -41.2 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.903 107.8 51.4 -56.6 -42.9 24.2 6.9 -1.5 119 119 A R H X S+ 0 0 114 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.932 110.4 47.8 -60.8 -46.0 21.8 5.4 -4.1 120 120 A M H <>S+ 0 0 28 -4,-1.7 5,-2.7 2,-0.2 4,-0.2 0.881 110.8 51.0 -64.7 -38.1 24.7 4.2 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.946 109.4 52.1 -65.1 -42.4 26.6 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 110.2 47.8 -59.7 -35.9 23.4 0.8 -2.4 123 123 A Q T 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.437 113.5-122.2 -84.4 -1.6 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 97 -3,-2.2 2,-1.3 -4,-0.2 -3,-0.2 0.787 60.4 147.8 64.6 32.2 26.8 -1.5 -5.8 125 125 A R >< + 0 0 120 -5,-2.7 4,-2.7 1,-0.2 -1,-0.2 -0.704 20.5 174.6 -98.9 79.8 27.7 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.887 69.0 44.5 -55.6 -54.1 31.2 1.3 -7.6 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 115.9 49.2 -61.8 -42.2 32.7 3.2 -10.5 128 128 A E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.905 110.1 49.6 -65.1 -43.9 29.7 5.3 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.871 108.1 54.9 -62.5 -37.7 29.5 6.2 -7.3 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.925 109.3 46.7 -62.6 -45.0 33.2 7.2 -7.3 131 131 A V H < S+ 0 0 91 -4,-1.9 4,-0.4 2,-0.2 3,-0.3 0.909 115.2 47.0 -62.4 -43.7 32.8 9.6 -10.1 132 132 A N H >< S+ 0 0 42 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.886 107.1 56.1 -66.0 -41.9 29.6 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.836 100.1 61.2 -59.4 -33.3 31.2 11.4 -5.0 134 134 A A T 3< S+ 0 0 27 -4,-1.1 2,-1.5 -3,-0.3 -1,-0.2 0.632 85.7 79.6 -71.2 -14.9 34.0 13.6 -6.6 135 135 A K S < S+ 0 0 152 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.522 79.6 93.7 -91.8 67.4 31.5 16.2 -7.7 136 136 A S S > S- 0 0 17 -2,-1.5 4,-2.0 1,-0.1 5,-0.2 -0.990 85.3-113.5-152.9 160.8 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 139 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.896 115.1 63.0 -61.6 -40.5 32.7 20.6 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.930 105.6 43.9 -47.7 -51.7 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.6 48.3 -65.5 -43.9 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 116.6 43.9 -67.7 -30.0 37.4 20.1 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 130.8 18.5 -82.5 -44.6 38.3 21.2 -0.4 142 142 A T S X S+ 0 0 24 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 -0.609 73.5 163.6-127.7 68.3 40.1 18.1 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.841 69.5 51.3 -59.2 -39.9 41.1 16.3 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.936 116.3 40.3 -67.1 -43.1 43.7 13.9 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 114.5 52.7 -66.4 -50.0 41.5 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -8,-0.2 5,-0.2 0.932 109.0 52.7 -51.6 -44.7 38.4 12.5 -0.4 147 147 A K H X S+ 0 0 94 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.894 107.3 49.9 -58.9 -44.1 40.6 10.4 -2.8 148 148 A R H X S+ 0 0 54 -4,-1.7 4,-1.7 2,-0.2 12,-0.2 0.950 115.1 43.7 -60.7 -47.0 41.5 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 113.3 50.4 -64.5 -43.7 37.8 7.5 0.9 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.911 109.3 51.7 -60.2 -43.5 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.2 6,-0.4 0.860 107.5 54.0 -62.4 -37.6 39.2 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.897 111.4 43.2 -63.0 -43.9 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 115.5 52.0 -69.8 -35.8 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 102 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.908 124.8 20.4 -63.2 -47.3 35.5 2.0 -5.4 155 155 A T H < S- 0 0 45 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.605 84.5-133.8-102.2 -23.4 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.0 2,-0.3 -5,-0.3 -62,-0.2 0.734 74.0 101.4 72.9 16.5 36.5 -2.4 -1.3 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.781 80.3-118.4-125.1 174.5 40.2 -2.8 -0.2 158 158 A W S >> S+ 0 0 28 -2,-0.3 3,-1.7 1,-0.2 4,-0.6 0.098 71.9 122.0 -98.3 20.7 42.5 -0.8 2.0 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.835 65.8 58.3 -52.9 -42.0 44.9 0.0 -0.8 160 160 A A G 34 S+ 0 0 15 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.650 112.5 42.3 -64.2 -15.7 44.7 3.8 -0.5 161 161 A Y G <4 S+ 0 0 0 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.461 94.4 77.2-109.1 -5.5 45.9 3.6 3.1 162 162 A K S << S+ 0 0 134 -3,-1.0 -2,-0.1 -4,-0.6 -3,-0.1 0.539 92.0 57.5 -84.3 -6.4 48.6 1.0 2.8 163 163 A N 0 0 132 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.937 360.0 360.0 -72.2 -51.0 50.8 3.5 1.4 164 164 A L 0 0 116 -4,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.625 360.0 360.0 -76.7 360.0 50.4 5.7 4.5