==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-97 252L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR E.P.BALDWIN,W.A.BAASE,X.-J.ZHANG,V.FEHER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 68.9 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 . 82 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 0 0 0 0 0 0 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 78 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 149.7 43.5 -1.8 9.0 2 2 A N > - 0 0 69 1,-0.1 4,-2.7 156,-0.0 3,-0.2 -0.957 360.0 -84.3-151.7 171.7 40.3 -0.7 10.8 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.5 1,-0.2 5,-0.4 0.874 123.1 51.0 -47.9 -46.2 38.1 2.3 11.3 4 4 A F H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.926 114.3 41.4 -66.6 -41.1 40.2 3.6 14.2 5 5 A E H > S+ 0 0 93 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.854 113.8 57.2 -70.0 -34.5 43.6 3.5 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.949 113.0 35.0 -59.3 -57.3 41.9 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.787 111.5 64.2 -71.0 -25.8 40.5 7.9 10.8 8 8 A R H X S+ 0 0 100 -4,-1.3 4,-1.3 -5,-0.4 -1,-0.2 0.890 106.9 43.1 -64.7 -31.6 43.6 8.1 12.9 9 9 A I H < S+ 0 0 53 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.877 117.6 45.4 -78.2 -40.5 45.5 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.827 121.9 34.6 -72.0 -33.4 43.0 10.9 8.1 11 11 A E H < S- 0 0 41 -4,-2.9 19,-0.4 1,-0.2 -3,-0.2 0.676 91.0-153.5 -99.4 -24.6 42.5 13.2 11.2 12 12 A G < - 0 0 27 -4,-1.3 2,-0.3 -5,-0.4 -1,-0.2 -0.276 23.2 -90.1 76.8-175.2 46.0 13.2 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.960 43.0 169.1-141.4 120.9 46.5 13.7 16.5 14 14 A R E -A 28 0A 130 14,-1.7 14,-2.4 -2,-0.3 4,-0.1 -0.999 19.0-163.1-133.2 133.5 47.0 17.1 18.2 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.6 12,-0.2 2,-0.4 0.378 73.9 60.2 -98.6 3.6 47.0 17.7 21.9 16 16 A K E S-C 57 0B 94 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.956 101.5 -84.3-128.6 144.4 46.6 21.4 21.9 17 17 A I E + 0 0 14 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.074 57.0 166.5 -47.0 146.9 43.7 23.2 20.4 18 18 A Y E -A 26 0A 29 8,-2.5 8,-2.8 -4,-0.1 2,-0.5 -0.954 36.8-101.5-156.0 168.1 44.0 23.9 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.840 34.0-135.5 -98.4 133.6 41.9 25.0 13.8 20 20 A D > - 0 0 50 4,-2.8 3,-1.9 -2,-0.5 -1,-0.1 -0.016 43.5 -78.6 -72.9-171.8 40.7 22.5 11.4 21 21 A T T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.667 136.7 49.1 -59.1 -20.0 40.8 22.8 7.5 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.391 124.1-103.1 -99.8 -4.5 37.7 25.0 8.0 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.797 73.9 144.1 82.1 32.3 39.2 27.2 10.7 24 24 A Y - 0 0 70 13,-0.0 -4,-2.8 9,-0.0 -1,-0.3 -0.865 58.3-105.1-105.7 142.8 37.3 25.5 13.5 25 25 A Y E +AB 19 34A 29 9,-0.9 8,-3.5 -2,-0.4 9,-1.8 -0.480 55.8 153.7 -65.3 126.8 38.5 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.5 6,-0.3 2,-0.3 -0.864 18.7-176.4-145.9 169.3 39.3 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.7 -2,-0.3 -12,-0.2 -0.957 51.9 15.8-162.6 167.9 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.8 -0.441 122.9 -11.0 65.5-132.3 42.7 15.3 19.7 29 29 A I T 4 S- 0 0 2 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.690 127.7 -46.5-108.0 78.5 41.7 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.694 85.9 159.8 75.1 19.1 39.4 15.3 14.7 31 31 A H E < -B 27 0A 30 -4,-1.7 -4,-1.4 -20,-0.1 -1,-0.2 -0.661 30.5-149.6 -85.9 98.0 37.4 16.4 17.7 32 32 A L E -B 26 0A 65 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.437 16.4-178.4 -62.8 121.8 35.5 19.6 16.7 33 33 A L E - 0 0 14 -8,-3.5 2,-0.3 1,-0.4 -7,-0.2 0.839 59.2 -24.3 -94.4 -44.4 35.0 21.7 19.7 34 34 A T E -B 25 0A 27 -9,-1.8 -9,-0.9 2,-0.1 -1,-0.4 -0.988 35.2-137.0-163.8 159.3 33.2 24.5 18.3 35 35 A K S S+ 0 0 128 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.452 74.1 108.1 -96.2 -5.3 32.4 26.5 15.2 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.508 74.8-129.9 -76.8 140.6 32.6 29.8 17.0 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.430 77.9 109.5 -69.4 4.6 35.6 32.1 16.4 38 38 A S > - 0 0 47 1,-0.2 4,-2.0 2,-0.0 -2,-0.1 -0.743 53.6-165.7 -96.8 115.5 36.1 32.3 20.1 39 39 A L H > S+ 0 0 63 -2,-0.7 4,-3.1 1,-0.2 5,-0.3 0.910 96.5 55.0 -55.9 -43.9 39.0 30.5 21.7 40 40 A N H > S+ 0 0 119 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.937 105.3 51.4 -59.4 -42.7 37.3 31.0 25.0 41 41 A A H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.857 111.6 49.0 -61.6 -33.5 34.3 29.3 23.6 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.919 108.7 50.4 -74.2 -41.8 36.5 26.5 22.6 43 43 A K H X S+ 0 0 52 -4,-3.1 4,-2.7 1,-0.2 11,-0.3 0.846 111.4 49.8 -64.7 -32.2 38.4 26.1 25.9 44 44 A S H X S+ 0 0 67 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.944 110.4 47.6 -71.2 -46.7 35.1 25.9 27.7 45 45 A E H X S+ 0 0 67 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.920 113.7 51.5 -57.2 -43.5 33.7 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.918 109.3 47.2 -60.1 -47.0 37.1 21.5 25.9 47 47 A D H X>S+ 0 0 40 -4,-2.7 4,-2.8 1,-0.2 5,-1.3 0.908 113.2 49.8 -62.6 -42.4 36.9 21.6 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.810 112.0 46.5 -63.2 -38.5 33.3 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.879 120.4 40.8 -73.7 -33.5 34.1 17.5 27.3 50 50 A I H <5S- 0 0 33 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.730 101.6-129.0 -84.6 -32.9 37.2 16.6 29.4 51 51 A G T <5S+ 0 0 69 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.665 75.9 64.8 90.2 14.5 35.8 17.1 32.9 52 52 A R S - 0 0 9 -2,-1.1 3,-0.8 -11,-0.3 -1,-0.2 0.851 29.1-148.1 -80.5 -41.7 42.4 21.9 30.6 55 55 A N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.756 75.4 -61.4 73.7 20.0 44.0 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.442 116.2 96.3 85.1 6.0 43.7 24.0 26.1 57 57 A V B < -C 16 0B 63 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.973 46.5-176.2-128.1 143.9 45.8 20.9 26.3 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.832 26.2-108.9-130.7 171.1 45.0 17.3 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.499 34.9-107.1 -91.0 167.9 46.9 14.1 27.3 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.864 120.6 54.1 -60.7 -42.0 47.0 11.3 24.8 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 107.5 49.4 -56.6 -47.3 44.7 9.2 26.8 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 110.2 51.7 -61.6 -45.7 42.1 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -34,-0.5 0.903 110.4 49.0 -57.7 -43.6 42.3 12.4 23.1 64 64 A E H X S+ 0 0 74 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.824 107.1 55.3 -69.6 -30.3 41.8 8.7 22.7 65 65 A K H X S+ 0 0 138 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.977 109.0 46.9 -67.4 -45.6 38.8 8.7 25.0 66 66 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.896 111.1 53.3 -58.6 -41.3 37.2 11.4 23.0 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.2 -5,-0.2 5,-0.3 0.903 107.1 49.5 -62.7 -43.0 37.9 9.5 19.8 68 68 A N H X S+ 0 0 92 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.922 112.1 49.4 -64.2 -38.6 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.867 111.8 50.2 -65.1 -38.7 33.3 8.3 22.1 70 70 A D H X S+ 0 0 33 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.821 109.6 47.1 -69.1 -39.4 33.2 10.0 18.7 71 71 A V H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.889 113.1 50.5 -72.1 -38.1 33.5 6.8 16.6 72 72 A D H X S+ 0 0 87 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.953 109.9 50.6 -61.2 -45.9 30.8 5.2 18.7 73 73 A A H X S+ 0 0 54 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.898 109.8 51.2 -58.2 -43.0 28.6 8.3 18.2 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 109.3 48.0 -61.7 -48.6 29.1 8.1 14.4 75 75 A V H X S+ 0 0 34 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.929 114.3 48.2 -59.9 -44.8 28.1 4.5 14.1 76 76 A R H X S+ 0 0 119 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.843 107.7 52.7 -67.9 -31.8 25.1 5.1 16.2 77 77 A G H X S+ 0 0 7 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.923 110.3 50.3 -66.7 -39.4 24.0 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 7,-0.4 0.940 109.0 51.4 -59.1 -48.1 24.3 6.0 11.1 79 79 A L H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.773 114.7 44.2 -63.2 -24.4 22.2 3.3 12.7 80 80 A R H 3< S+ 0 0 189 -4,-1.2 2,-0.5 -3,-0.2 -1,-0.3 0.499 89.9 94.4-100.3 -8.4 19.6 5.8 13.6 81 81 A N S+ 0 0 4 -6,-0.2 4,-2.8 -7,-0.2 3,-0.3 0.872 100.3 66.9 -84.2 -40.8 21.9 6.0 6.2 85 85 A K H X S+ 0 0 84 -4,-2.6 4,-2.6 -7,-0.4 5,-0.2 0.908 101.5 45.3 -48.0 -54.6 20.9 2.7 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.857 114.2 49.7 -62.4 -34.3 19.9 0.9 4.8 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.8 -3,-0.3 3,-0.4 0.974 111.4 48.2 -66.8 -48.7 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 28 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.876 111.2 51.1 -56.6 -41.7 25.2 1.0 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.780 104.8 56.3 -73.1 -25.2 23.5 -2.4 6.0 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.685 96.9 87.7 -78.6 -16.6 23.9 -3.1 2.4 91 91 A L S << S- 0 0 5 -4,-0.8 31,-0.0 -3,-0.8 30,-0.0 -0.516 75.0-116.4 -85.8 156.7 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.180 43.7 -91.7 -76.3 173.6 30.6 -4.9 3.3 93 93 A A H > S+ 0 0 82 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.823 122.9 47.2 -58.7 -38.9 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 25 2,-0.2 4,-1.5 62,-0.2 3,-0.4 0.939 113.7 45.9 -72.4 -46.8 35.4 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.881 105.9 61.1 -66.0 -32.8 32.9 0.0 2.7 96 96 A R H X S+ 0 0 81 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.912 102.0 53.7 -57.6 -37.9 31.1 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.2 4,-2.7 -3,-0.4 -1,-0.2 0.889 104.7 53.2 -64.6 -39.0 34.3 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.848 108.1 51.1 -62.4 -34.6 34.4 4.5 4.6 99 99 A L H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.948 110.5 48.6 -70.1 -42.2 30.8 5.5 5.4 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.939 109.6 53.0 -62.2 -43.2 31.7 5.9 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.904 111.0 46.1 -56.7 -46.0 34.8 8.0 8.0 102 102 A A H X S+ 0 0 27 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.910 111.9 49.2 -66.2 -44.0 32.7 10.4 6.0 103 103 A V H X>S+ 0 0 13 -4,-2.4 5,-1.0 1,-0.2 4,-1.0 0.847 110.5 51.8 -65.4 -33.3 30.0 10.8 8.5 104 104 A F H ><5S+ 0 0 22 -4,-2.0 3,-0.6 -5,-0.3 -1,-0.2 0.915 106.5 54.6 -65.7 -41.8 32.6 11.5 11.2 105 105 A Q H 3<5S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.871 107.6 50.5 -63.8 -32.6 34.1 14.1 8.8 106 106 A A H 3<5S- 0 0 36 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.720 94.2-142.0 -77.6 -21.4 30.8 15.8 8.6 107 107 A G T <<5S+ 0 0 70 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.747 80.5 65.0 62.9 15.0 30.3 15.9 12.4 108 108 A E S - 0 0 59 -3,-0.4 3,-0.9 1,-0.2 2,-0.2 -0.046 29.4 -69.3 -53.4 158.6 24.7 15.7 5.0 112 112 A A T 3 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.369 107.1 7.4 -65.6 124.0 23.2 17.8 2.1 113 113 A G T 3 S+ 0 0 66 -2,-0.2 3,-0.5 -3,-0.1 4,-0.3 0.283 86.7 107.3 98.5 -4.4 23.3 16.6 -1.5 114 114 A F <> + 0 0 54 -3,-0.9 4,-1.9 1,-0.2 5,-0.2 0.076 41.7 110.3 -96.4 34.3 24.6 13.1 -1.3 115 115 A T H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 80.2 47.4 -68.6 -44.6 21.2 11.3 -2.1 116 116 A N H > S+ 0 0 84 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.896 110.5 51.1 -64.4 -43.4 22.3 10.2 -5.5 117 117 A S H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.923 110.5 50.8 -58.4 -43.1 25.7 8.8 -4.2 118 118 A L H X S+ 0 0 26 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.887 108.2 51.5 -63.3 -43.3 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 116 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.933 110.3 47.8 -60.6 -44.0 21.6 5.4 -4.0 120 120 A M H <>S+ 0 0 14 -4,-2.2 5,-2.5 2,-0.2 4,-0.3 0.862 112.4 50.5 -65.7 -36.0 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-2.4 3,-2.7 1,-0.2 -2,-0.2 0.971 107.9 52.9 -64.1 -51.0 26.3 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 110.9 46.9 -55.3 -31.1 23.3 1.0 -2.3 123 123 A Q T 3<5S- 0 0 100 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.545 112.2-119.9 -94.9 6.3 23.0 -0.4 -5.7 124 124 A K T < 5 + 0 0 98 -3,-2.7 2,-1.5 -4,-0.3 -3,-0.2 0.720 62.1 146.8 68.7 24.5 26.7 -1.4 -5.8 125 125 A R >< + 0 0 86 -5,-2.5 4,-2.6 1,-0.2 -1,-0.2 -0.662 22.0 172.1 -90.7 70.7 27.4 0.8 -8.9 126 126 A W H > + 0 0 50 -2,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.792 65.3 45.5 -53.5 -51.3 30.9 1.5 -7.6 127 127 A D H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 116.2 46.9 -67.6 -39.3 32.5 3.3 -10.3 128 128 A E H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.855 109.7 52.9 -68.2 -42.3 29.6 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.918 107.6 53.6 -58.7 -42.4 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 12 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.921 110.2 45.9 -57.7 -49.8 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.9 4,-0.7 1,-0.2 3,-0.4 0.934 114.6 47.6 -60.3 -48.1 32.6 9.7 -9.9 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.928 107.2 55.0 -62.7 -44.4 29.5 11.1 -8.4 133 133 A L H 3< S+ 0 0 9 -4,-3.4 6,-0.3 1,-0.2 -1,-0.2 0.850 102.8 61.2 -55.1 -31.7 30.9 11.5 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-2.1 -3,-0.4 -1,-0.2 0.684 82.3 78.9 -72.4 -21.2 33.7 13.5 -6.5 135 135 A K S << S+ 0 0 161 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.504 81.8 105.4 -84.4 67.2 31.4 16.3 -7.8 136 136 A S S > S- 0 0 12 -2,-2.1 4,-1.9 1,-0.1 3,-0.4 -0.999 83.5-121.8-151.2 152.3 31.3 17.8 -4.4 137 137 A R H > S+ 0 0 156 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.894 113.7 63.0 -56.0 -38.2 32.6 20.6 -2.4 138 138 A W H > S+ 0 0 40 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.900 103.5 45.3 -49.8 -51.3 34.0 17.9 -0.1 139 139 A Y H 4 S+ 0 0 58 -3,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 0.863 114.7 49.0 -66.6 -37.8 36.2 16.6 -2.8 140 140 A N H < S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.839 113.8 44.1 -75.0 -30.8 37.3 20.1 -3.8 141 141 A Q H < S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 133.5 16.1 -78.4 -41.5 38.1 21.3 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 -0.607 72.5 162.6-131.7 68.6 40.0 18.1 0.9 143 143 A P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.779 70.7 53.1 -60.4 -34.2 40.8 16.3 -2.2 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.962 114.6 38.8 -71.8 -46.2 43.4 14.0 -0.7 145 145 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.905 116.9 52.1 -65.8 -41.6 41.4 12.7 2.1 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -8,-0.2 5,-0.2 0.873 106.2 54.7 -62.3 -37.9 38.3 12.5 -0.1 147 147 A K H X S+ 0 0 89 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.931 106.6 51.0 -63.4 -41.0 40.3 10.5 -2.7 148 148 A R H X S+ 0 0 54 -4,-1.7 4,-1.0 2,-0.2 12,-0.2 0.883 114.2 43.1 -61.8 -41.6 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 114.1 50.5 -70.1 -45.0 37.6 7.5 1.1 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.919 108.9 51.3 -59.4 -46.2 36.3 7.4 -2.4 151 151 A T H X S+ 0 0 47 -4,-2.8 4,-1.9 -5,-0.2 6,-0.4 0.816 108.2 54.5 -59.1 -33.5 38.8 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.0 4,-1.8 -5,-0.2 -2,-0.2 0.885 109.8 45.6 -69.7 -36.8 37.7 2.8 -0.4 153 153 A F H < S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.912 115.1 46.8 -71.2 -42.1 34.1 2.9 -1.5 154 154 A R H < S+ 0 0 110 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.874 125.5 26.9 -68.1 -39.2 34.9 2.0 -5.1 155 155 A T H < S- 0 0 42 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.732 85.0-137.2 -95.8 -34.4 37.3 -0.9 -4.4 156 156 A G S < S+ 0 0 17 -4,-1.8 2,-0.3 -5,-0.3 -62,-0.2 0.742 71.2 104.3 76.7 19.1 36.2 -2.3 -1.1 157 157 A T S S- 0 0 44 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.809 78.8-122.1-124.3 171.2 39.9 -2.6 -0.1 158 158 A W S >> S+ 0 0 45 -2,-0.3 3,-1.8 1,-0.2 4,-0.8 0.112 71.2 122.3 -95.8 19.0 42.3 -0.6 2.1 159 159 A D T 34 + 0 0 104 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.794 65.4 57.6 -52.4 -36.9 44.6 0.1 -0.7 160 160 A A T 34 S+ 0 0 25 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.640 112.5 42.6 -69.5 -17.5 44.5 3.9 -0.5 161 161 A Y T X4 S+ 0 0 2 -3,-1.8 3,-1.2 -13,-0.1 2,-1.1 0.540 86.9 98.7-107.8 -7.0 45.7 3.7 3.1 162 162 A K T 3< S+ 0 0 132 -4,-0.8 -1,-0.1 -3,-0.5 -4,-0.0 -0.805 86.9 34.7 -90.7 95.5 48.4 1.1 2.7 163 163 A N T 3 0 0 168 -2,-1.1 -1,-0.2 -3,-0.0 -2,-0.1 0.109 360.0 360.0 143.0 -3.8 51.5 3.2 2.5 164 164 A L < 0 0 129 -3,-1.2 -2,-0.1 0, 0.0 -3,-0.1 0.926 360.0 360.0 -90.1 360.0 50.6 6.0 4.9