==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 20-JUN-94 162L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 11 6.8 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 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 69 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.2 43.4 -1.9 9.1 2 2 A N > - 0 0 66 156,-0.0 4,-2.6 95,-0.0 3,-0.2 -0.924 360.0 -79.0-153.8 176.8 40.2 -0.8 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.833 124.1 50.4 -53.1 -41.3 38.1 2.3 11.3 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 113.5 43.0 -66.1 -47.5 40.2 3.7 14.1 5 5 A E H > S+ 0 0 97 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.867 114.6 53.5 -65.9 -36.4 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.963 112.3 41.3 -62.4 -55.0 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.835 109.6 60.1 -64.5 -28.1 40.5 7.8 10.9 8 8 A R H X S+ 0 0 94 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.883 107.7 45.7 -68.5 -31.4 43.8 8.3 12.8 9 9 A I H < S+ 0 0 89 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.928 116.1 46.4 -71.3 -43.6 45.7 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.877 125.0 28.6 -66.3 -39.1 43.0 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.8 19,-0.3 1,-0.2 -1,-0.2 0.711 90.4-151.2 -98.0 -28.3 42.8 13.2 11.1 12 12 A G < - 0 0 24 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.276 25.3 -89.2 80.5-172.3 46.2 13.1 12.9 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.953 41.6 173.7-140.8 120.7 46.6 13.6 16.6 14 14 A R E -A 28 0A 139 14,-1.7 14,-2.8 -2,-0.3 4,-0.1 -0.999 18.5-163.5-131.8 127.7 47.2 17.0 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.363 74.6 62.5 -90.6 0.9 47.3 17.5 21.9 16 16 A K E S-C 57 0B 150 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.942 100.8 -86.4-126.6 146.9 46.8 21.3 21.8 17 17 A I E + 0 0 20 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.235 58.4 166.9 -47.6 138.3 43.8 23.2 20.4 18 18 A Y E -A 26 0A 24 8,-3.1 8,-3.0 -4,-0.1 2,-0.5 -0.922 36.7-105.4-146.0 169.8 44.2 23.8 16.7 19 19 A K E -A 25 0A 118 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.885 33.1-137.0-103.7 139.7 42.1 24.9 13.8 20 20 A D > - 0 0 50 4,-3.2 3,-2.2 -2,-0.5 -1,-0.1 0.007 43.3 -74.9 -76.9-172.6 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.740 135.5 46.9 -54.5 -27.1 40.8 22.7 7.5 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.363 123.9-101.3 -96.0 -2.4 37.7 25.1 7.9 23 23 A G S < S+ 0 0 37 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.625 75.3 142.2 89.4 16.5 39.3 27.2 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-3.2 9,-0.0 -1,-0.3 -0.739 58.9-104.5 -97.5 142.9 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 34 9,-0.7 8,-2.9 11,-0.4 9,-1.4 -0.429 54.1 157.9 -65.7 125.7 38.8 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-3.1 6,-0.3 2,-0.3 -0.891 19.1-168.6-141.6 167.7 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.5 4,-1.8 -2,-0.3 2,-0.2 -0.979 52.0 5.0-155.9 162.7 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.7 -2,-0.3 2,-0.8 -0.474 122.4 -6.0 69.8-128.5 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.685 127.6 -52.2-105.0 70.4 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.743 84.2 160.5 72.9 24.0 39.6 15.4 14.8 31 31 A H E < -B 27 0A 31 -4,-1.8 -4,-1.5 1,-0.0 -1,-0.2 -0.666 31.2-146.1 -83.1 103.2 37.4 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.410 18.9-179.3 -66.8 131.9 35.6 19.5 16.8 33 33 A L E - 0 0 16 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.848 58.6 -20.1 -98.3 -44.8 35.1 21.7 19.8 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.964 33.8-142.4-162.7 152.7 33.2 24.7 18.4 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.494 74.6 112.3 -93.6 -6.5 32.4 26.6 15.2 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.351 72.4-133.3 -70.8 142.5 32.7 29.7 17.2 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.615 75.9 101.3 -72.9 -11.8 35.5 32.1 16.5 38 38 A S > - 0 0 49 1,-0.1 4,-1.5 -13,-0.0 5,-0.1 -0.630 59.5-156.1 -86.0 129.7 36.4 32.5 20.1 39 39 A L H > S+ 0 0 72 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.782 97.0 54.3 -70.3 -28.0 39.3 30.6 21.7 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.862 103.4 53.9 -73.8 -35.4 37.7 30.8 25.1 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.873 110.8 48.6 -63.6 -34.4 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.926 110.6 49.7 -69.1 -45.5 36.7 26.5 22.6 43 43 A K H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 11,-0.2 0.873 111.3 49.7 -63.1 -35.4 38.6 26.2 25.9 44 44 A S H X S+ 0 0 68 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.926 110.7 48.4 -70.3 -40.7 35.4 26.1 27.7 45 45 A E H X S+ 0 0 66 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 111.0 53.4 -64.4 -39.4 34.0 23.5 25.5 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.931 108.6 47.1 -60.2 -45.1 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 5,-0.9 0.895 111.2 51.7 -65.8 -36.2 37.0 21.6 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.871 111.3 47.6 -65.6 -37.5 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 45 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.858 120.8 36.5 -71.9 -35.5 34.3 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.694 101.3-128.6 -89.7 -28.0 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.810 75.5 76.0 83.2 26.3 35.9 17.2 32.9 52 52 A R S - 0 0 7 -2,-1.0 3,-1.2 -11,-0.2 -1,-0.2 0.718 32.3-144.6 -90.4 -22.4 42.7 21.7 30.8 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.888 72.9 -56.6 59.3 35.8 44.0 25.1 29.8 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.6 1,-0.1 2,-0.4 0.544 117.8 96.5 76.1 7.0 43.8 24.0 26.1 57 57 A V B < +C 16 0B 73 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.989 46.2 180.0-130.3 141.9 46.1 20.9 26.4 58 58 A I - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.832 25.9-111.9-132.0 168.7 45.1 17.3 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.565 33.4-104.2 -95.3 172.8 47.0 14.0 27.2 60 60 A K H > S+ 0 0 109 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.921 122.1 51.8 -57.9 -49.0 47.1 11.1 24.6 61 61 A D H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.857 109.5 49.5 -53.0 -46.6 44.8 9.0 26.7 62 62 A E H > S+ 0 0 38 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.8 49.9 -63.2 -43.0 42.3 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -34,-0.4 0.929 111.1 50.3 -62.7 -43.9 42.5 12.4 23.1 64 64 A E H X S+ 0 0 78 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.819 106.8 54.7 -65.4 -30.7 41.9 8.6 22.6 65 65 A K H X S+ 0 0 137 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.941 109.0 46.1 -70.2 -45.0 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.897 111.3 55.2 -60.7 -37.2 37.2 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.920 106.3 48.9 -63.7 -43.8 38.0 9.5 19.7 68 68 A N H X S+ 0 0 88 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.917 113.1 49.0 -61.4 -40.3 36.3 6.3 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.907 111.4 48.3 -64.9 -44.8 33.3 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.828 112.6 47.4 -66.7 -35.5 33.2 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.947 112.7 49.2 -71.6 -46.3 33.5 6.9 16.6 72 72 A D H X S+ 0 0 85 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.937 111.8 50.2 -56.4 -44.6 30.8 5.2 18.7 73 73 A A H X S+ 0 0 46 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.895 107.6 52.7 -61.1 -41.2 28.6 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.954 111.2 46.8 -62.1 -46.2 29.1 8.2 14.3 75 75 A V H X S+ 0 0 31 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.964 114.3 46.0 -60.6 -50.4 28.1 4.5 14.1 76 76 A R H X S+ 0 0 122 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.897 110.7 54.9 -62.5 -31.8 25.1 5.0 16.3 77 77 A G H X S+ 0 0 4 -4,-2.4 4,-0.9 -5,-0.3 -1,-0.2 0.933 109.2 46.9 -66.3 -41.7 24.2 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 7,-0.5 0.944 112.1 50.9 -60.4 -48.6 24.3 6.1 11.0 79 79 A L H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 111.2 48.1 -67.0 -20.7 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 180 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.642 92.1 95.0 -89.6 -18.7 19.6 5.9 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-3.0 -7,-0.2 3,-0.3 0.839 102.4 68.5 -81.8 -41.5 22.0 6.0 6.1 85 85 A K H X S+ 0 0 79 -4,-2.8 4,-3.6 -7,-0.5 5,-0.3 0.923 97.7 48.9 -51.5 -50.8 21.2 2.8 7.8 86 86 A P H > S+ 0 0 77 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.884 114.5 48.5 -61.2 -31.7 19.9 0.8 4.8 87 87 A V H >> S+ 0 0 9 -4,-0.5 4,-0.8 -3,-0.3 3,-0.6 0.976 112.3 48.0 -65.6 -53.4 23.0 1.9 2.9 88 88 A Y H >< S+ 0 0 32 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.903 110.3 52.2 -50.4 -48.0 25.2 0.9 5.8 89 89 A D H 3< S+ 0 0 76 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.808 107.0 53.7 -64.9 -28.4 23.4 -2.5 6.1 90 90 A S H << S+ 0 0 42 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.644 94.7 88.7 -79.9 -13.2 23.9 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.532 75.0-116.6 -89.6 160.6 27.7 -2.7 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.0 5,-0.2 -0.248 44.8 -90.7 -78.1 172.2 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.862 122.7 47.5 -56.7 -42.5 33.0 -4.4 6.1 94 94 A V H > S+ 0 0 27 1,-0.2 4,-1.4 62,-0.2 3,-0.3 0.920 112.9 47.1 -66.6 -47.1 35.5 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.827 104.8 61.4 -67.8 -26.2 33.0 0.0 2.7 96 96 A R H X S+ 0 0 76 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.911 101.4 53.4 -63.6 -39.3 31.2 0.4 5.9 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.6 -3,-0.3 -1,-0.2 0.885 104.3 55.0 -62.3 -38.2 34.3 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.883 109.2 48.2 -61.0 -37.9 34.4 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.893 109.7 50.9 -71.0 -38.6 30.9 5.6 5.3 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.951 107.5 54.7 -63.6 -41.0 31.7 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.932 108.4 49.1 -55.1 -47.5 34.8 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.901 112.0 46.8 -58.6 -45.7 32.5 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 109.5 55.0 -66.2 -37.8 30.0 10.8 8.9 104 104 A F H < S+ 0 0 31 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 115.6 39.0 -60.0 -44.8 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.936 133.9 16.5 -71.5 -49.3 34.1 14.3 9.1 106 106 A M H X S- 0 0 53 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.409 103.7-112.9-115.1 8.2 30.9 15.9 8.0 107 107 A G H X - 0 0 31 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.307 34.2 -79.6 74.0 154.1 28.2 14.7 10.2 108 108 A E H > S+ 0 0 56 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.801 127.9 50.8 -52.6 -45.5 25.2 12.5 9.6 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.895 108.6 53.3 -62.5 -45.9 23.1 15.3 8.0 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.943 114.2 39.8 -55.2 -56.3 25.9 16.2 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.5 1,-0.3 -2,-0.2 0.870 105.9 63.4 -65.2 -39.7 26.3 12.7 4.4 112 112 A A H 3< S+ 0 0 15 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.818 94.2 68.5 -57.6 -22.1 22.6 12.0 4.3 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.7 -3,-0.7 -1,-0.3 0.613 73.5 85.3 -71.5 -12.0 22.7 14.8 1.8 114 114 A F <> + 0 0 40 -3,-2.5 4,-2.8 1,-0.2 5,-0.3 -0.336 56.0 159.0 -85.9 56.0 24.6 12.8 -0.9 115 115 A T H > + 0 0 71 -2,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.850 66.4 45.2 -48.6 -52.1 21.4 11.3 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.875 114.2 47.5 -65.9 -38.7 22.5 10.3 -5.5 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.876 109.4 54.8 -68.2 -39.8 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.890 107.7 49.3 -59.1 -43.8 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 118 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.914 111.3 50.0 -62.9 -41.4 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 24 -4,-1.7 5,-1.9 2,-0.2 4,-0.4 0.909 110.9 48.2 -65.8 -41.4 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.933 108.9 54.1 -64.6 -40.4 26.4 2.8 -3.3 122 122 A A H 3<5S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 108.6 49.9 -60.7 -34.1 23.3 0.9 -2.3 123 123 A Q T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.462 110.9-122.0 -84.0 -0.8 23.1 -0.4 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.8 2,-1.3 -4,-0.4 -3,-0.2 0.715 63.7 143.5 65.1 27.7 26.8 -1.6 -5.8 125 125 A R >< + 0 0 113 -5,-1.9 4,-1.9 1,-0.2 -1,-0.2 -0.708 24.6 175.0 -94.7 78.0 27.6 0.6 -8.9 126 126 A W H > + 0 0 46 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.867 66.6 45.9 -59.5 -48.8 31.0 1.4 -7.6 127 127 A D H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 113.5 50.4 -65.7 -39.7 32.6 3.4 -10.3 128 128 A E H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 109.6 49.4 -65.7 -39.6 29.6 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-1.9 4,-3.3 1,-0.2 -2,-0.2 0.909 108.5 55.0 -64.5 -39.0 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.874 108.7 48.1 -61.1 -37.6 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 94 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.930 113.2 46.4 -71.5 -39.5 32.4 9.6 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.905 106.5 58.2 -68.5 -37.5 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.826 99.2 61.9 -57.7 -33.5 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.1 2,-1.7 -3,-0.4 -1,-0.3 0.647 84.5 76.8 -70.3 -20.3 33.8 13.6 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.549 80.5 99.6 -92.0 73.4 31.5 16.3 -7.6 136 136 A S S > S- 0 0 16 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.990 83.9-117.1-152.0 157.1 31.2 17.8 -4.2 137 137 A R H > S+ 0 0 151 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.927 115.2 62.8 -59.3 -43.5 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.921 106.2 42.7 -46.8 -50.6 34.0 17.8 0.1 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 114.5 50.2 -67.9 -41.2 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 115.1 42.0 -66.9 -34.2 37.3 19.9 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 131.8 19.6 -81.6 -35.2 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 -0.579 74.0 160.4-134.4 68.7 40.0 18.1 1.0 143 143 A P H > + 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.801 68.6 54.1 -62.8 -38.9 40.9 16.1 -2.1 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.921 116.3 39.3 -67.2 -40.6 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.924 115.8 51.4 -69.4 -46.2 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.935 108.3 53.1 -55.8 -46.2 38.3 12.5 -0.3 147 147 A K H X S+ 0 0 88 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.834 107.6 50.5 -58.9 -37.7 40.3 10.5 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.4 4,-1.3 2,-0.2 12,-0.2 0.918 114.1 44.5 -67.9 -41.6 41.3 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 113.5 50.5 -66.7 -44.8 37.7 7.5 1.0 150 150 A I H X S+ 0 0 16 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.896 109.1 51.0 -59.8 -43.9 36.5 7.3 -2.7 151 151 A T H X S+ 0 0 35 -4,-2.2 4,-2.5 1,-0.2 6,-0.4 0.839 107.6 54.7 -63.6 -32.9 39.1 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.900 111.0 43.6 -66.0 -43.5 37.9 2.6 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.916 115.7 49.6 -67.3 -42.5 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 125.8 23.8 -64.1 -43.1 35.3 2.0 -5.4 155 155 A T H < S- 0 0 47 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.698 85.6-135.2 -99.7 -25.7 37.5 -1.0 -4.5 156 156 A G S < S+ 0 0 15 -4,-2.5 2,-0.3 1,-0.3 -62,-0.2 0.691 73.6 97.9 77.8 14.5 36.4 -2.4 -1.3 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.788 80.2-119.5-126.5 176.9 40.0 -2.7 -0.1 158 158 A W S >> S+ 0 0 34 -2,-0.3 3,-1.9 1,-0.2 4,-0.5 0.083 70.5 122.7-101.9 20.5 42.3 -0.6 2.1 159 159 A D G >4 + 0 0 107 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.858 65.6 60.7 -54.3 -34.4 44.8 -0.0 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.720 108.0 47.4 -66.2 -19.6 44.5 3.8 -0.4 161 161 A Y G <4 0 0 19 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.419 360.0 360.0-102.7 1.7 45.7 3.5 3.2 162 162 A K << 0 0 173 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.854 360.0 360.0-104.8 360.0 48.7 1.2 2.7