==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-01 1JTM . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.SAGERMANN,B.W.MATTHEWS . 170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 71.2 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 7.1 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 51.2 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.3 20.0 38.5 7.0 2 2 A N > - 0 0 64 156,-0.0 4,-3.0 1,-0.0 5,-0.2 -0.913 360.0 -84.7-149.4 174.2 19.5 35.1 5.3 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.867 125.1 50.8 -51.0 -42.7 21.1 31.7 4.9 4 4 A F H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 113.8 42.3 -61.5 -51.6 23.3 32.9 2.0 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.871 114.9 53.3 -62.8 -38.7 24.6 35.9 3.9 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.961 112.3 41.7 -60.8 -53.9 25.0 33.8 7.0 7 7 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.824 109.4 59.5 -64.8 -34.1 27.1 31.1 5.2 8 8 A R H X S+ 0 0 95 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.889 108.2 46.1 -63.7 -34.7 29.1 33.8 3.3 9 9 A I H < S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.945 116.8 43.0 -69.9 -47.5 30.2 35.2 6.6 10 10 A D H < S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.800 125.7 32.9 -66.9 -34.2 31.1 31.9 8.1 11 11 A E H < S- 0 0 18 -4,-2.6 19,-0.4 -5,-0.1 -1,-0.2 0.625 91.2-157.6 -99.7 -24.0 32.8 30.5 5.0 12 12 A G < - 0 0 24 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.1 -0.110 26.7 -81.1 67.8-173.6 34.4 33.6 3.5 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.968 43.2 169.9-136.9 119.2 35.3 33.7 -0.3 14 14 A R E -A 28 0A 144 14,-1.8 14,-2.7 -2,-0.4 4,-0.1 -0.989 17.8-167.4-132.4 124.7 38.4 32.4 -2.0 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.511 74.1 65.2 -86.6 -6.5 38.8 32.2 -5.8 16 16 A K E S-C 57 0B 104 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.881 100.3 -86.6-119.5 146.6 41.8 29.9 -5.6 17 17 A I E + 0 0 22 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.253 58.5 169.7 -52.3 129.2 42.1 26.4 -4.3 18 18 A Y E -A 26 0A 27 8,-3.7 8,-3.8 -4,-0.1 2,-0.5 -0.854 36.1-105.5-137.6 172.2 42.7 26.4 -0.6 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.897 33.2-140.5-104.2 126.5 42.8 24.1 2.4 20 20 A D > - 0 0 18 4,-3.0 3,-2.7 -2,-0.5 146,-0.1 -0.032 42.2 -79.2 -72.1-177.5 39.9 24.2 4.9 21 21 A T T 3 S+ 0 0 73 144,-1.2 145,-0.1 1,-0.3 -1,-0.1 0.773 134.7 50.0 -57.5 -24.8 40.2 24.0 8.7 22 22 A E T 3 S- 0 0 57 144,-0.4 -1,-0.3 143,-0.2 3,-0.1 0.398 122.1-105.7 -93.6 1.9 40.6 20.2 8.3 23 23 A G S < S+ 0 0 38 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.623 74.2 140.9 84.8 14.2 43.3 20.5 5.7 24 24 A Y - 0 0 76 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.689 60.8 -99.8 -92.6 145.7 41.0 19.5 2.8 25 25 A Y E +AB 19 34A 36 9,-0.9 8,-3.0 11,-0.4 9,-1.2 -0.442 55.9 159.2 -66.3 125.3 41.1 21.0 -0.6 26 26 A T E -AB 18 32A 2 -8,-3.8 -8,-3.7 -2,-0.3 2,-0.3 -0.898 18.7-172.4-141.4 166.0 38.3 23.6 -1.0 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.3 -2,-0.3 -12,-0.2 -0.976 50.8 6.9-157.2 165.0 37.4 26.6 -3.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.8 -2,-0.3 2,-1.0 -0.400 123.3 -6.8 66.2-133.5 34.9 29.4 -3.4 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.657 128.5 -53.2 -97.4 72.1 32.4 29.7 -0.5 30 30 A G T 4 S+ 0 0 2 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.785 82.6 162.5 68.1 30.6 33.4 26.6 1.4 31 31 A H E < -B 27 0A 12 -4,-2.3 -4,-1.6 136,-0.0 138,-0.2 -0.693 31.3-144.4 -86.3 99.7 33.0 24.2 -1.5 32 32 A L E -B 26 0A 7 -2,-1.1 -6,-0.3 136,-0.3 139,-0.1 -0.265 18.7-176.3 -54.0 149.2 34.8 21.1 -0.5 33 33 A L E - 0 0 0 -8,-3.0 138,-2.0 1,-0.4 2,-0.3 0.792 57.3 -22.2-116.7 -39.1 36.5 19.5 -3.4 34 34 A T E -B 25 0A 10 -9,-1.2 -9,-0.9 136,-0.2 -1,-0.4 -0.951 34.1-141.1-171.4 147.8 38.1 16.3 -2.1 35 35 A K S S+ 0 0 113 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.500 75.9 109.7 -91.2 -6.1 39.3 14.7 1.1 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.389 74.5-130.3 -73.1 146.2 42.1 13.3 -0.9 37 37 A P S S+ 0 0 126 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.367 75.8 103.7 -77.6 1.4 45.7 14.6 -0.4 38 38 A S > - 0 0 45 1,-0.2 4,-2.4 -13,-0.0 5,-0.2 -0.795 55.3-161.2 -97.0 119.9 46.3 15.2 -4.0 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.858 97.3 56.4 -58.5 -35.4 46.2 18.7 -5.4 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 104.4 50.3 -63.4 -46.0 45.8 17.1 -8.8 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.936 110.4 50.8 -56.4 -46.4 42.8 15.2 -7.7 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.916 108.8 51.5 -57.3 -44.1 41.4 18.5 -6.3 43 43 A K H X S+ 0 0 49 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 108.7 51.5 -60.5 -41.7 42.0 20.2 -9.7 44 44 A S H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.950 110.4 48.0 -57.8 -52.4 40.2 17.3 -11.5 45 45 A E H X S+ 0 0 38 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 111.1 52.3 -54.2 -45.4 37.2 17.7 -9.2 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.947 109.1 47.3 -57.0 -54.5 37.2 21.4 -9.8 47 47 A D H X>S+ 0 0 40 -4,-2.5 4,-2.9 1,-0.2 5,-1.5 0.913 113.5 50.0 -53.9 -45.8 37.3 21.2 -13.6 48 48 A K H <5S+ 0 0 138 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.885 111.6 47.7 -60.8 -42.3 34.5 18.7 -13.4 49 49 A A H <5S+ 0 0 42 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 120.4 37.8 -66.1 -41.4 32.4 20.9 -11.1 50 50 A I H <5S- 0 0 35 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.742 103.4-124.8 -83.6 -31.0 32.9 24.0 -13.3 51 51 A G T <5S+ 0 0 70 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.765 78.5 61.7 88.3 26.6 32.8 22.4 -16.7 52 52 A R S - 0 0 9 -2,-0.9 3,-0.8 -11,-0.2 -1,-0.2 0.816 33.2-144.3 -91.2 -43.0 40.2 26.1 -14.4 55 55 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.832 73.8 -56.6 72.8 32.4 43.8 25.6 -13.3 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.357 119.7 101.6 80.9 -0.4 42.7 26.0 -9.7 57 57 A V B < +C 16 0B 65 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.939 44.4 177.0-121.6 137.8 41.2 29.4 -10.2 58 58 A I - 0 0 6 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.829 26.8-109.1-130.2 168.7 37.6 30.4 -10.6 59 59 A T > - 0 0 61 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.520 32.2-108.6 -93.3 164.9 35.6 33.5 -11.0 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.856 119.9 51.0 -58.8 -41.6 33.3 35.2 -8.5 61 61 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 109.0 51.2 -65.2 -40.7 30.2 34.2 -10.5 62 62 A E H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 109.3 50.7 -63.0 -42.2 31.4 30.6 -10.6 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -34,-0.4 0.906 111.5 48.4 -61.7 -40.6 31.9 30.6 -6.9 64 64 A E H X S+ 0 0 60 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.845 108.8 53.3 -69.8 -32.6 28.4 31.9 -6.4 65 65 A K H X S+ 0 0 145 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 110.5 46.1 -66.1 -46.1 27.0 29.3 -8.7 66 66 A L H X S+ 0 0 5 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.898 111.5 55.3 -58.2 -42.7 28.7 26.5 -6.7 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 106.4 47.8 -56.0 -53.1 27.4 28.2 -3.6 68 68 A N H X S+ 0 0 86 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.902 113.4 48.9 -56.6 -43.4 23.8 28.2 -4.7 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.898 110.5 51.4 -61.4 -44.2 24.0 24.6 -5.7 70 70 A D H X S+ 0 0 7 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.862 110.5 47.0 -61.6 -41.4 25.6 23.8 -2.4 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.947 111.2 52.5 -65.4 -48.4 22.8 25.5 -0.4 72 72 A D H X S+ 0 0 94 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.918 109.9 48.5 -51.2 -49.4 20.2 23.8 -2.4 73 73 A A H X S+ 0 0 36 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.889 106.6 55.5 -63.1 -41.0 21.8 20.4 -1.7 74 74 A A H X S+ 0 0 6 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.935 110.9 45.9 -57.7 -45.5 22.0 21.0 2.0 75 75 A V H X S+ 0 0 32 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.961 112.1 49.6 -62.3 -50.0 18.3 21.7 2.2 76 76 A R H X S+ 0 0 115 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.900 108.1 55.4 -55.4 -39.7 17.5 18.7 0.0 77 77 A G H X S+ 0 0 3 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.900 108.7 47.9 -58.3 -43.0 19.7 16.6 2.4 78 78 A I H < S+ 0 0 0 -4,-2.0 7,-0.5 -3,-0.2 3,-0.4 0.917 111.1 50.0 -63.0 -47.2 17.6 17.8 5.3 79 79 A L H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.797 111.6 47.9 -64.7 -31.6 14.3 17.1 3.6 80 80 A R H < S+ 0 0 164 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 0.681 94.2 91.3 -82.2 -22.2 15.3 13.5 2.6 81 81 A N X - 0 0 26 -4,-1.1 4,-3.1 -3,-0.4 -4,-0.0 -0.649 63.6-154.8 -82.9 123.5 16.6 12.7 6.1 82 82 A A T 4 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.692 97.0 44.4 -68.3 -20.8 14.1 11.1 8.5 83 83 A K T > S+ 0 0 104 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.809 120.3 40.3 -90.9 -33.6 15.8 12.4 11.6 84 84 A L H >> S+ 0 0 0 -7,-0.2 4,-2.8 2,-0.1 3,-0.6 0.891 103.9 63.5 -80.0 -49.2 16.4 15.9 10.2 85 85 A K H 3X S+ 0 0 75 -4,-3.1 4,-2.8 -7,-0.5 5,-0.2 0.879 100.6 50.9 -46.9 -51.6 13.2 16.6 8.4 86 86 A P H 3> S+ 0 0 52 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.844 114.6 44.8 -59.1 -36.0 11.0 16.5 11.5 87 87 A V H < S+ 0 0 33 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.935 110.6 51.3 -53.0 -46.4 13.7 21.3 10.5 89 89 A D H 3< S+ 0 0 74 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.812 106.4 54.2 -63.1 -31.5 9.9 21.4 10.1 90 90 A S H 3< S+ 0 0 39 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.695 95.5 90.8 -76.9 -19.0 9.3 22.2 13.7 91 91 A L S << S- 0 0 6 -4,-1.2 2,-0.1 -3,-0.9 31,-0.0 -0.440 75.6-116.9 -83.4 155.4 11.6 25.2 13.7 92 92 A D > - 0 0 54 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.263 45.5 -91.4 -76.2 168.3 11.0 29.0 12.9 93 93 A A H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.841 122.8 47.8 -54.6 -43.1 12.7 30.6 9.9 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-1.1 1,-0.2 3,-0.5 0.939 111.3 48.8 -66.1 -46.7 15.8 31.8 11.7 95 95 A R H 3> S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.842 103.4 61.4 -64.6 -31.1 16.5 28.6 13.4 96 96 A R H 3X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.879 100.1 56.9 -59.9 -36.9 16.1 26.6 10.2 97 97 A A H S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.865 130.3 51.6 -59.7 -37.3 23.6 15.4 6.7 109 109 A T H > S+ 0 0 119 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.940 108.5 49.2 -65.8 -48.3 25.2 12.4 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.7 3,-0.7 1,-0.2 -2,-0.2 0.934 116.0 43.2 -57.0 -48.7 27.3 14.3 10.6 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.7 1,-0.2 -1,-0.2 0.907 105.2 61.3 -65.4 -43.9 24.4 16.4 11.8 112 112 A A H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.739 94.5 67.6 -55.2 -22.8 22.0 13.5 12.0 113 113 A G T << S+ 0 0 55 -4,-1.0 2,-1.1 -3,-0.7 -1,-0.3 0.580 75.6 86.4 -74.9 -11.2 24.4 12.1 14.6 114 114 A F <> + 0 0 39 -3,-2.7 4,-2.9 1,-0.2 5,-0.2 -0.277 54.5 155.1 -86.7 50.3 23.5 14.9 17.1 115 115 A T H > + 0 0 57 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.833 66.2 44.1 -43.3 -57.7 20.5 12.9 18.4 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.932 115.9 46.8 -60.4 -48.2 20.2 14.4 21.8 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 110.6 53.7 -59.0 -45.9 20.5 18.0 20.6 118 118 A L H X S+ 0 0 12 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.920 108.3 49.8 -55.5 -46.4 18.1 17.4 17.8 119 119 A R H X S+ 0 0 106 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.944 110.5 49.4 -59.1 -47.0 15.5 16.1 20.3 120 120 A M H <>S+ 0 0 32 -4,-2.3 5,-2.7 1,-0.2 4,-0.4 0.850 111.0 50.5 -60.0 -37.1 16.0 19.2 22.5 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.0 2,-0.2 -1,-0.2 0.895 107.7 52.5 -67.2 -41.0 15.6 21.4 19.5 122 122 A Q H 3<5S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.868 111.5 47.8 -61.3 -35.1 12.4 19.6 18.5 123 123 A Q T 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.515 112.0-122.0 -84.3 -6.4 11.2 20.3 22.1 124 124 A K T < 5 + 0 0 98 -3,-1.0 2,-1.4 -4,-0.4 -3,-0.2 0.787 60.1 149.8 67.9 29.3 12.2 23.9 21.9 125 125 A R >< + 0 0 113 -5,-2.7 4,-2.5 1,-0.2 -1,-0.2 -0.688 19.2 172.9 -91.0 75.0 14.4 23.5 24.9 126 126 A W H > + 0 0 52 -2,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.898 68.9 43.8 -54.4 -56.6 16.8 26.3 23.6 127 127 A D H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.944 116.7 48.0 -58.2 -46.6 19.2 26.7 26.5 128 128 A E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.894 109.6 52.2 -62.5 -41.5 19.5 23.0 27.0 129 129 A A H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.921 107.4 54.2 -60.3 -41.8 20.1 22.3 23.4 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.898 108.4 47.6 -58.9 -46.0 22.9 25.0 23.4 131 131 A V H X S+ 0 0 86 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.934 114.9 46.6 -61.7 -45.7 24.7 23.3 26.2 132 132 A N H >< S+ 0 0 41 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.899 108.5 54.9 -62.4 -44.3 24.4 20.0 24.5 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.879 102.0 58.2 -58.5 -39.5 25.5 21.3 21.2 134 134 A A H 3< S+ 0 0 25 -4,-1.7 2,-1.8 1,-0.2 -1,-0.2 0.676 86.4 80.4 -66.8 -18.9 28.7 22.7 22.7 135 135 A K S << S+ 0 0 153 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.558 80.5 98.2 -87.6 69.4 29.8 19.3 24.0 136 136 A S S > S- 0 0 19 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.991 85.7-116.1-152.6 158.6 31.1 18.3 20.6 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.885 115.1 63.5 -62.4 -35.3 34.1 18.0 18.5 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.926 104.5 43.3 -52.9 -51.4 32.5 20.6 16.3 139 139 A Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 115.2 48.8 -63.8 -44.0 32.5 23.2 19.0 140 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.825 116.0 42.7 -68.9 -30.4 36.0 22.4 20.2 141 141 A Q H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.887 133.3 17.5 -81.7 -43.6 37.5 22.5 16.7 142 142 A T S X S+ 0 0 6 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 -0.567 73.6 161.7-130.0 66.6 35.6 25.6 15.4 143 143 A P H > S+ 0 0 46 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.859 70.6 52.9 -54.2 -47.4 34.4 27.4 18.5 144 144 A N H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.932 115.2 39.6 -60.5 -46.9 33.8 30.8 17.0 145 145 A R H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.946 115.8 51.4 -66.0 -49.1 31.6 29.6 14.3 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.5 -8,-0.2 5,-0.3 0.914 107.3 55.7 -52.9 -45.5 29.9 27.0 16.5 147 147 A K H X S+ 0 0 87 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.916 106.7 48.7 -53.5 -49.9 29.2 29.9 19.0 148 148 A R H X S+ 0 0 63 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.889 115.7 44.1 -57.7 -43.4 27.5 32.0 16.4 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.944 113.7 49.3 -68.3 -49.6 25.3 29.1 15.3 150 150 A I H X S+ 0 0 14 -4,-3.5 4,-2.3 1,-0.3 -2,-0.2 0.899 109.7 52.3 -55.8 -44.5 24.6 27.9 18.8 151 151 A T H X S+ 0 0 35 -4,-2.9 4,-2.5 -5,-0.3 6,-0.3 0.852 107.6 53.2 -61.3 -34.3 23.6 31.5 19.7 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.936 110.0 45.8 -66.6 -46.8 21.3 31.5 16.8 153 153 A F H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 114.2 51.8 -61.8 -37.8 19.5 28.4 17.8 154 154 A R H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.922 124.0 22.1 -67.0 -46.4 19.4 29.7 21.3 155 155 A T H < S- 0 0 49 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.604 86.0-134.3-100.0 -18.6 17.8 33.1 20.6 156 156 A G S < S+ 0 0 15 -4,-2.8 2,-0.3 -5,-0.3 -62,-0.2 0.709 74.1 105.0 67.7 18.1 16.1 32.6 17.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.4 -5,-0.3 -1,-0.3 -0.832 78.6-123.4-124.4 166.3 17.6 36.0 16.2 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.8 1,-0.2 4,-0.7 0.239 71.2 121.0 -91.2 9.9 20.6 37.0 13.9 159 159 A D G >4 + 0 0 100 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.805 66.1 61.7 -42.6 -41.9 22.4 39.0 16.7 160 160 A A G 34 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.673 104.9 49.2 -63.0 -17.8 25.5 36.8 16.4 161 161 A Y G <4 0 0 25 -3,-2.8 -1,-0.3 1,-0.1 -2,-0.2 0.511 360.0 360.0-100.2 -9.0 25.9 38.0 12.8 162 162 A K << 0 0 201 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.680 360.0 360.0 -88.9 360.0 25.5 41.7 13.7 163 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 164 171 A G 0 0 51 0, 0.0 2,-0.4 0, 0.0 -22,-0.1 0.000 360.0 360.0 360.0 29.2 35.7 28.5 11.5 165 172 A I + 0 0 14 1,-0.1 -144,-1.2 -154,-0.1 -143,-0.2 -0.960 360.0 175.5-118.0 134.0 34.5 26.8 8.4 166 173 A G - 0 0 2 -2,-0.4 -144,-0.4 1,-0.3 2,-0.2 0.896 46.8 -23.1-104.4 -67.8 34.4 23.0 8.1 167 174 A H + 0 0 33 -146,-0.1 -1,-0.3 -147,-0.1 -61,-0.1 -0.837 38.2 169.4-140.0-174.5 33.0 21.4 5.0 168 175 A L - 0 0 22 -2,-0.2 -136,-0.3 -62,-0.1 -63,-0.1 0.287 56.4 -30.9 157.6 73.7 30.6 21.7 1.8 169 176 A L S S+ 0 0 31 -138,-0.2 2,-0.2 1,-0.2 -99,-0.1 0.869 75.8 85.0 77.6 113.8 30.2 19.4 -1.2 170 177 A T 0 0 51 -139,-0.1 -136,-0.2 -144,-0.0 -137,-0.2 -0.924 360.0 360.0 151.8 172.7 32.8 17.3 -3.1 171 178 A K 0 0 55 -138,-2.0 -2,-0.0 -2,-0.2 -137,-0.0 0.396 360.0 360.0 -59.3 360.0 34.8 14.1 -3.6