==== 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 22-OCT-97 251L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 84 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.8 43.4 -2.2 9.3 2 2 A N > - 0 0 63 156,-0.0 4,-4.4 95,-0.0 5,-0.2 -0.956 360.0 -82.6-159.4 176.2 40.3 -0.5 10.6 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.768 123.9 52.7 -55.2 -36.5 38.3 2.6 11.0 4 4 A F H > S+ 0 0 80 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.948 115.5 39.9 -65.4 -51.3 40.3 3.7 14.0 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.947 117.3 52.8 -62.2 -45.9 43.5 3.3 12.1 6 6 A M H >X S+ 0 0 0 -4,-4.4 4,-1.7 1,-0.3 3,-1.2 0.959 112.3 40.3 -54.6 -62.1 41.9 4.8 9.1 7 7 A L H 3X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.3 5,-0.3 0.731 106.8 66.1 -64.0 -20.9 40.6 7.9 10.6 8 8 A R H 3X S+ 0 0 94 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.3 0.814 104.6 46.0 -70.9 -24.4 43.7 8.2 12.6 9 9 A I H << S+ 0 0 91 -4,-1.3 -2,-0.2 -3,-1.2 -1,-0.2 0.862 113.8 45.4 -81.0 -42.0 45.5 8.8 9.4 10 10 A D H < S+ 0 0 22 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.831 125.2 31.8 -70.8 -31.7 43.0 11.3 7.9 11 11 A E H < S- 0 0 43 -4,-1.9 19,-0.4 -5,-0.2 -2,-0.2 0.746 91.1-159.2 -97.2 -32.8 42.7 13.3 11.0 12 12 A G < - 0 0 23 -4,-1.3 2,-0.3 -5,-0.3 -1,-0.1 -0.243 27.9 -78.1 78.5-168.6 46.1 13.1 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.845 45.8 169.2-143.5 109.5 46.8 13.7 16.3 14 14 A R E -A 28 0A 128 14,-2.5 14,-2.1 -2,-0.3 4,-0.1 -0.930 15.9-172.0-118.2 135.3 47.1 17.1 18.0 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.5 12,-0.2 2,-0.4 0.395 72.2 63.3-104.8 -3.2 47.1 17.8 21.7 16 16 A K E S-C 57 0B 99 41,-0.2 41,-0.2 12,-0.1 40,-0.1 -0.973 100.4 -90.2-125.9 135.6 46.9 21.5 21.6 17 17 A I E + 0 0 15 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.175 54.4 173.9 -48.2 137.1 44.0 23.3 20.2 18 18 A Y E -A 26 0A 37 8,-3.6 8,-4.4 6,-0.1 2,-0.4 -0.922 32.9-112.7-144.8 166.9 44.2 24.1 16.6 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.846 33.4-141.8-100.3 134.3 42.2 25.5 13.7 20 20 A D - 0 0 55 4,-1.6 -1,-0.1 -2,-0.4 5,-0.0 0.219 37.8 -81.7 -79.8-154.5 41.4 23.1 10.9 21 21 A T S S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.897 134.9 48.3 -77.0 -35.3 41.3 23.7 7.2 22 22 A E S S- 0 0 94 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.554 124.2-107.9 -75.7 -17.6 37.9 25.4 7.5 23 23 A G + 0 0 28 1,-0.3 2,-0.3 14,-0.0 -2,-0.1 0.677 68.9 141.0 96.2 24.4 39.3 27.5 10.4 24 24 A Y - 0 0 72 1,-0.1 -4,-1.6 9,-0.0 -1,-0.3 -0.737 58.4-101.3-103.8 147.4 37.6 25.9 13.4 25 25 A Y E +AB 19 34A 33 9,-1.0 8,-3.3 11,-0.4 9,-1.7 -0.412 56.5 155.1 -65.6 125.8 38.8 25.2 16.8 26 26 A T E -AB 18 32A 3 -8,-4.4 -8,-3.6 6,-0.3 2,-0.3 -0.913 19.5-176.6-144.2 169.9 39.7 21.6 17.1 27 27 A I E > + B 0 31A 0 4,-2.0 4,-1.8 -2,-0.3 2,-0.2 -0.967 49.3 12.8-158.2 175.2 41.8 19.3 19.0 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-2.5 -2,-0.3 2,-0.6 -0.303 120.0 -11.5 61.6-122.7 42.9 15.6 19.4 29 29 A I T 4 S- 0 0 3 34,-0.3 -1,-0.2 -2,-0.2 -17,-0.2 -0.650 126.1 -48.1-116.9 75.4 41.9 13.5 16.5 30 30 A G T 4 S+ 0 0 18 -2,-0.6 2,-1.2 -19,-0.4 -2,-0.2 0.667 86.2 156.6 74.3 16.3 39.5 15.5 14.5 31 31 A H E < -B 27 0A 34 -4,-1.8 -4,-2.0 -20,-0.1 -1,-0.2 -0.651 35.3-145.1 -79.8 99.1 37.5 16.5 17.6 32 32 A L E -B 26 0A 71 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.412 18.5-176.3 -61.9 128.9 35.8 19.7 16.5 33 33 A L E - 0 0 15 -8,-3.3 2,-0.3 1,-0.3 -7,-0.2 0.909 56.1 -20.5 -94.4 -49.6 35.5 22.0 19.4 34 34 A T E -B 25 0A 25 -9,-1.7 -9,-1.0 1,-0.1 -1,-0.3 -0.984 32.5-142.9-159.7 151.7 33.6 24.9 18.1 35 35 A K S S+ 0 0 145 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.662 78.8 98.4 -85.6 -19.2 32.5 26.8 15.1 36 36 A S S S- 0 0 44 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.325 76.5-129.5 -72.9 153.3 32.9 30.1 17.0 37 37 A P S S+ 0 0 111 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.477 74.2 108.4 -81.6 -6.6 35.9 32.3 16.7 38 38 A S > - 0 0 54 1,-0.2 4,-1.7 2,-0.0 -2,-0.1 -0.637 55.2-159.7 -82.3 121.1 36.4 32.7 20.4 39 39 A L H > S+ 0 0 64 -2,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.709 95.3 55.9 -67.3 -19.9 39.4 30.8 21.7 40 40 A N H > S+ 0 0 106 2,-0.2 4,-4.3 1,-0.2 5,-0.2 0.960 102.0 52.4 -77.0 -48.1 37.7 30.9 25.0 41 41 A A H > S+ 0 0 32 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.876 111.5 51.0 -49.6 -39.3 34.6 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 -1,-0.3 0.949 110.3 45.8 -65.4 -50.4 37.0 26.7 22.6 43 43 A K H X S+ 0 0 58 -4,-2.4 4,-3.8 2,-0.2 5,-0.3 0.961 113.9 50.9 -57.0 -49.4 38.8 26.4 25.9 44 44 A S H X S+ 0 0 64 -4,-4.3 4,-3.3 1,-0.2 5,-0.2 0.924 112.0 45.4 -51.9 -53.1 35.3 26.2 27.6 45 45 A E H X S+ 0 0 67 -4,-3.1 4,-2.6 -5,-0.2 5,-0.3 0.922 114.0 51.6 -58.3 -43.2 34.2 23.5 25.2 46 46 A L H X S+ 0 0 0 -4,-3.4 4,-3.1 2,-0.2 5,-0.3 0.981 111.8 44.4 -54.9 -59.6 37.5 21.8 25.7 47 47 A D H X>S+ 0 0 35 -4,-3.8 4,-2.9 1,-0.3 5,-1.4 0.909 114.2 51.2 -51.7 -46.6 37.2 21.9 29.5 48 48 A K H <5S+ 0 0 137 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.850 112.2 45.7 -63.2 -35.2 33.6 20.8 29.3 49 49 A A H <5S+ 0 0 43 -4,-2.6 -1,-0.2 -3,-0.3 -2,-0.2 0.899 119.5 39.5 -74.5 -41.3 34.5 17.9 27.1 50 50 A I H <5S- 0 0 37 -4,-3.1 -2,-0.2 -5,-0.3 -3,-0.2 0.824 103.1-127.8 -76.6 -33.1 37.4 16.7 29.1 51 51 A G T <5S+ 0 0 65 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.855 75.1 60.0 85.6 40.0 35.9 17.4 32.5 52 52 A R S - 0 0 8 -2,-1.2 3,-1.2 -11,-0.2 -1,-0.2 0.758 37.2-145.5 -85.8 -29.3 42.9 21.9 30.6 55 55 A N T 3 S- 0 0 115 1,-0.2 -2,-0.1 -3,-0.2 3,-0.1 0.914 73.6 -57.9 61.3 37.4 44.1 25.2 29.5 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.503 116.6 104.8 70.0 8.0 43.8 24.0 25.9 57 57 A V B < +C 16 0B 66 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.962 43.0 175.2-124.3 133.5 46.2 21.1 26.3 58 58 A I - 0 0 4 -43,-2.5 2,-0.3 -2,-0.4 -30,-0.0 -0.807 24.9-114.2-127.5 173.0 45.3 17.4 26.6 59 59 A T >> - 0 0 59 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.718 32.3-104.1-106.8 161.6 47.1 14.2 26.8 60 60 A K H 3> S+ 0 0 105 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.893 121.1 52.8 -44.7 -53.9 47.3 11.2 24.4 61 61 A D H 3> S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.885 109.0 49.0 -53.4 -44.9 44.9 9.2 26.5 62 62 A E H <> S+ 0 0 32 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.880 109.5 52.0 -62.4 -42.4 42.3 12.1 26.5 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -34,-0.3 0.917 110.5 49.5 -55.8 -46.6 42.5 12.5 22.8 64 64 A E H X S+ 0 0 81 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.895 107.7 53.4 -62.2 -42.3 41.9 8.8 22.5 65 65 A K H X S+ 0 0 141 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 110.0 47.2 -59.5 -48.7 39.0 9.0 24.8 66 66 A L H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.933 109.5 55.3 -56.6 -47.5 37.5 11.7 22.6 67 67 A F H X S+ 0 0 11 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.931 106.9 49.3 -50.4 -53.5 38.2 9.6 19.5 68 68 A N H X S+ 0 0 84 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.940 112.6 46.6 -55.6 -47.5 36.3 6.6 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.970 113.3 49.8 -60.4 -48.8 33.2 8.7 21.8 70 70 A D H X S+ 0 0 35 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.879 113.8 44.4 -55.0 -46.6 33.3 10.3 18.5 71 71 A V H X S+ 0 0 7 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.937 114.3 48.9 -66.0 -47.9 33.6 7.0 16.5 72 72 A D H X S+ 0 0 84 -4,-3.1 4,-2.5 -5,-0.3 5,-0.2 0.917 110.4 52.1 -59.7 -36.5 31.0 5.4 18.6 73 73 A A H X S+ 0 0 47 -4,-3.0 4,-3.4 -5,-0.3 -1,-0.2 0.954 109.2 50.0 -63.3 -46.0 28.8 8.4 18.0 74 74 A A H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.943 110.4 49.2 -56.7 -52.0 29.3 8.2 14.3 75 75 A V H X S+ 0 0 33 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.938 115.5 44.7 -53.0 -49.1 28.4 4.5 14.2 76 76 A R H X S+ 0 0 122 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.929 108.7 54.4 -63.9 -44.5 25.3 5.2 16.3 77 77 A G H X S+ 0 0 8 -4,-3.4 4,-0.6 -5,-0.2 3,-0.4 0.906 109.1 50.7 -56.2 -41.0 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 7,-0.4 0.971 108.4 50.9 -59.2 -55.8 24.3 6.1 11.2 79 79 A L H 3< S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.674 113.2 46.7 -59.3 -17.9 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 188 -4,-1.3 2,-0.5 -3,-0.4 -1,-0.3 0.495 90.8 94.9-104.1 -1.6 19.6 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.1 5,-0.2 0.753 96.2 79.0 -85.8 -45.3 21.6 5.9 6.0 85 85 A K H X S+ 0 0 96 -4,-3.1 4,-2.6 -7,-0.4 5,-0.2 0.903 97.2 46.0 -36.5 -60.3 20.9 2.8 8.0 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.905 111.0 52.7 -52.7 -52.8 19.9 0.6 5.2 87 87 A V H >> S+ 0 0 1 -4,-0.4 4,-1.2 1,-0.3 3,-1.0 0.927 111.2 47.9 -46.6 -52.6 22.8 1.7 3.0 88 88 A Y H >< S+ 0 0 28 -4,-2.5 3,-0.6 1,-0.3 -1,-0.3 0.900 107.7 55.8 -55.6 -45.0 25.1 0.8 5.8 89 89 A D H 3< S+ 0 0 65 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.676 106.9 50.0 -65.8 -19.9 23.4 -2.5 6.3 90 90 A S H << S+ 0 0 48 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.676 94.8 89.4 -94.5 -18.7 23.9 -3.5 2.7 91 91 A L S << S- 0 0 4 -4,-1.2 31,-0.0 -3,-0.6 2,-0.0 -0.400 76.3-117.6 -79.1 161.7 27.6 -2.8 2.6 92 92 A D > - 0 0 56 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.230 42.9 -93.9 -77.4-176.6 30.5 -5.0 3.4 93 93 A A H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.732 119.8 53.9 -74.9 -28.7 32.8 -4.0 6.3 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.3 2,-0.2 3,-0.3 0.980 112.5 44.4 -69.9 -47.9 35.4 -2.1 4.4 95 95 A R H > S+ 0 0 26 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.853 106.5 60.1 -63.3 -38.3 32.9 0.1 2.8 96 96 A R H X S+ 0 0 73 -4,-1.8 4,-3.4 1,-0.3 -1,-0.3 0.929 101.6 55.6 -54.8 -43.4 31.1 0.6 6.0 97 97 A A H X S+ 0 0 6 -4,-1.6 4,-2.9 -3,-0.3 -1,-0.3 0.891 105.6 51.2 -54.5 -44.4 34.3 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.923 109.7 50.0 -59.1 -46.1 34.2 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.961 111.7 47.7 -58.2 -48.9 30.7 5.4 5.3 100 100 A I H X S+ 0 0 9 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.920 107.1 57.6 -58.8 -44.3 31.7 5.9 8.8 101 101 A N H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.920 109.5 44.0 -51.2 -50.5 34.7 7.9 7.8 102 102 A M H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.847 111.8 52.0 -66.4 -37.9 32.5 10.4 5.9 103 103 A V H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.944 109.3 51.6 -64.8 -41.7 29.9 10.7 8.6 104 104 A F H < S+ 0 0 31 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.900 116.7 40.0 -56.5 -43.9 32.7 11.4 11.1 105 105 A Q H < S+ 0 0 66 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 132.0 18.2 -75.8 -47.2 34.0 14.1 8.9 106 106 A M H X S- 0 0 48 -4,-3.0 4,-1.1 -5,-0.1 -3,-0.2 0.417 102.3-115.2-112.7 2.8 30.9 15.8 7.6 107 107 A G H X - 0 0 30 -4,-2.5 4,-2.1 -5,-0.3 5,-0.3 0.201 36.3 -75.6 79.3 152.9 28.1 14.8 9.9 108 108 A E H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.771 132.1 50.9 -52.3 -32.1 25.0 12.8 9.3 109 109 A T H > S+ 0 0 124 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.959 107.8 45.5 -75.5 -56.6 23.6 15.8 7.6 110 110 A G H < S+ 0 0 37 -4,-1.1 3,-0.2 1,-0.2 -2,-0.2 0.792 118.3 47.5 -60.3 -28.5 26.3 16.6 5.1 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.840 97.2 65.9 -83.6 -34.6 26.5 13.0 4.3 112 112 A A H 3< S+ 0 0 22 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.728 93.1 68.5 -58.8 -17.8 22.8 12.4 3.8 113 113 A G T 3< S+ 0 0 61 -4,-0.8 3,-0.4 1,-0.2 -1,-0.3 0.355 74.2 80.4 -82.9 0.9 23.2 14.8 0.8 114 114 A F <> + 0 0 26 -3,-2.3 4,-3.2 1,-0.2 5,-0.3 -0.097 58.4 137.0 -95.2 33.7 25.2 12.3 -1.2 115 115 A T H > + 0 0 58 -3,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.868 65.4 51.1 -43.1 -53.4 21.8 10.9 -2.0 116 116 A N H > S+ 0 0 86 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.910 116.8 37.4 -57.3 -50.2 22.7 10.4 -5.6 117 117 A S H >> S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 3,-1.4 0.991 117.6 52.4 -64.4 -55.3 25.9 8.6 -4.9 118 118 A L H 3X S+ 0 0 12 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.833 106.2 51.6 -45.2 -48.5 24.5 6.7 -2.0 119 119 A R H 3X S+ 0 0 110 -4,-3.2 4,-1.1 -5,-0.3 -1,-0.3 0.861 112.0 48.8 -63.8 -26.1 21.6 5.4 -3.8 120 120 A M H <<>S+ 0 0 34 -3,-1.4 5,-1.8 -4,-1.1 4,-0.4 0.828 109.0 51.1 -75.7 -39.8 24.0 4.2 -6.5 121 121 A A H ><5S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.864 102.4 61.4 -65.9 -33.3 26.1 2.6 -3.9 122 122 A Q H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.919 105.6 47.2 -59.4 -39.3 22.9 1.0 -2.7 123 123 A Q T 3<5S- 0 0 95 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.493 116.1-117.6 -79.3 -5.0 22.7 -0.6 -6.2 124 124 A K T < 5 + 0 0 95 -3,-1.3 2,-1.6 -4,-0.4 -3,-0.2 0.521 68.4 139.9 79.5 11.7 26.4 -1.7 -6.0 125 125 A R >>< + 0 0 103 -5,-1.8 4,-1.7 1,-0.2 3,-0.5 -0.491 26.1 176.5 -88.1 67.1 27.5 0.4 -9.0 126 126 A W H 3> + 0 0 53 -2,-1.6 4,-2.5 1,-0.2 5,-0.2 0.812 68.3 48.6 -32.8 -71.5 30.8 1.5 -7.5 127 127 A D H 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 111.8 51.3 -47.8 -44.2 32.4 3.5 -10.3 128 128 A E H <> S+ 0 0 111 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.949 112.2 42.7 -58.1 -60.1 29.3 5.5 -11.0 129 129 A A H X S+ 0 0 8 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.861 111.6 58.3 -55.7 -38.5 28.7 6.6 -7.5 130 130 A A H X S+ 0 0 11 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.957 104.5 48.4 -59.2 -53.6 32.4 7.3 -7.0 131 131 A V H X S+ 0 0 99 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.895 112.5 50.1 -54.6 -42.0 32.6 9.8 -9.8 132 132 A N H >< S+ 0 0 41 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.908 104.3 56.1 -64.6 -44.3 29.5 11.5 -8.4 133 133 A A H 3< S+ 0 0 10 -4,-2.7 6,-0.5 1,-0.3 -1,-0.2 0.833 102.7 60.2 -56.0 -32.3 30.9 11.7 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.6 2,-2.5 1,-0.2 -1,-0.3 0.745 85.7 76.6 -64.8 -31.5 33.8 13.6 -6.6 135 135 A K S << S+ 0 0 166 -3,-1.3 2,-0.3 -4,-0.7 -1,-0.2 -0.515 84.0 103.3 -84.3 70.3 31.5 16.3 -7.9 136 136 A S S > S- 0 0 17 -2,-2.5 4,-2.3 1,-0.1 5,-0.2 -0.998 83.2-121.9-155.4 150.9 31.4 17.8 -4.5 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.895 115.1 60.0 -53.7 -45.3 32.6 20.6 -2.4 138 138 A W H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.967 107.5 43.0 -45.5 -60.2 33.9 17.9 -0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.5 51.3 -58.8 -36.2 36.1 16.5 -2.8 140 140 A N H < S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 112.4 44.4 -72.7 -34.1 37.2 19.9 -3.9 141 141 A Q H < S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 131.4 18.7 -78.3 -41.4 38.2 21.1 -0.4 142 142 A T S X S+ 0 0 30 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 -0.526 70.6 163.6-133.5 64.7 40.1 17.9 0.6 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.876 71.8 52.5 -49.5 -50.6 40.9 16.0 -2.4 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.948 115.7 40.0 -58.0 -47.8 43.5 13.6 -1.0 145 145 A R H >> S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.977 114.8 52.4 -62.6 -54.0 41.3 12.5 1.8 146 146 A A H 3X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.3 5,-0.3 0.845 108.1 53.2 -47.8 -40.7 38.3 12.3 -0.3 147 147 A K H 3X S+ 0 0 96 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.3 0.878 106.0 51.7 -65.4 -40.8 40.2 10.2 -2.8 148 148 A R H + 0 0 46 -2,-0.2 3,-2.3 1,-0.2 4,-0.3 0.078 67.6 121.8-103.6 15.9 42.1 -0.8 1.9 159 159 A D G > + 0 0 112 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.869 65.3 62.6 -47.8 -42.1 44.6 -0.3 -0.9 160 160 A A G 3 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.490 102.9 52.0 -64.6 -7.6 44.4 3.6 -0.7 161 161 A Y G < 0 0 23 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.347 360.0 360.0-114.0 5.2 45.7 3.4 2.9 162 162 A K < 0 0 198 -3,-2.2 -2,-0.2 -4,-0.3 -3,-0.1 0.790 360.0 360.0-104.2 360.0 48.8 1.3 2.3