==== 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) 13-JUL-92 1L99 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR P.PJURA,L.P.MCINTOSH,J.A.WOZNIAK,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 75.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.4 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 1 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 93 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 130.2 43.8 -1.7 8.8 2 2 A N > - 0 0 69 95,-0.0 4,-2.2 92,-0.0 3,-0.4 -0.844 360.0 -89.5-132.8 169.5 40.8 -0.9 10.8 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.771 122.1 53.8 -53.8 -39.1 38.6 2.3 11.1 4 4 A F H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 111.1 43.3 -69.0 -41.6 40.7 3.7 13.9 5 5 A E H > S+ 0 0 93 -3,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.871 113.4 55.0 -69.2 -32.8 44.0 3.5 12.1 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.858 111.4 42.0 -66.5 -40.6 42.3 4.8 8.9 7 7 A L H X>S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.5 0.838 108.6 57.9 -76.7 -35.4 41.0 7.9 10.6 8 8 A R H X5S+ 0 0 107 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.887 109.0 49.9 -57.8 -36.7 44.2 8.5 12.6 9 9 A I H <5S+ 0 0 51 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.949 116.1 40.2 -70.2 -41.9 45.8 8.6 9.2 10 10 A D H <5S+ 0 0 17 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.716 125.8 29.2 -80.5 -22.3 43.2 11.0 7.8 11 11 A E H <5S- 0 0 40 -4,-2.1 19,-0.4 1,-0.1 -3,-0.2 0.459 96.0-148.8-111.4 -17.6 42.7 13.5 10.7 12 12 A G << - 0 0 23 -4,-1.2 2,-0.4 -5,-0.5 -1,-0.1 -0.084 20.4 -81.6 70.9-179.5 46.1 13.3 12.2 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.958 43.8 172.1-127.9 119.2 46.9 13.7 15.9 14 14 A R E -A 28 0A 134 14,-1.5 14,-2.0 -2,-0.4 4,-0.1 -0.985 20.1-163.3-129.8 125.0 47.3 17.0 17.7 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.432 75.5 59.1 -82.3 0.0 47.7 17.6 21.5 16 16 A K E S-C 57 0B 128 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.969 99.5 -87.2-134.1 149.6 46.9 21.2 21.4 17 17 A I E + 0 0 30 39,-2.0 2,-0.3 -2,-0.4 10,-0.2 -0.146 59.9 168.4 -47.1 137.9 43.9 23.2 20.3 18 18 A Y E -A 26 0A 27 8,-2.8 8,-3.5 -4,-0.1 2,-0.4 -0.917 36.5-101.7-148.8 174.3 44.2 23.9 16.6 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.869 31.8-139.7-106.8 136.1 42.4 25.1 13.7 20 20 A D > - 0 0 40 4,-2.9 3,-2.4 -2,-0.4 -1,-0.0 -0.323 41.0 -85.7 -83.2 166.5 41.1 22.7 11.1 21 21 A T T 3 S+ 0 0 113 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.728 129.6 52.2 -43.3 -33.8 41.2 23.2 7.4 22 22 A E T 3 S- 0 0 58 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.095 123.6 -97.9 -93.6 10.4 37.9 25.2 7.7 23 23 A G S < S+ 0 0 40 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.145 79.0 140.7 89.7 -14.7 39.0 27.6 10.4 24 24 A Y - 0 0 80 -5,-0.1 -4,-2.9 1,-0.1 2,-0.3 -0.399 58.1-111.3 -78.2 143.2 37.4 25.6 13.1 25 25 A Y E +AB 19 34A 29 9,-0.9 8,-2.9 -6,-0.2 9,-1.5 -0.476 49.1 165.0 -67.4 116.3 38.8 25.0 16.5 26 26 A T E -AB 18 32A 3 -8,-3.5 -8,-2.8 -2,-0.3 2,-0.3 -0.810 20.3-162.2-134.5 165.5 39.8 21.3 17.0 27 27 A I E > - B 0 31A 0 4,-1.0 4,-2.2 -2,-0.2 -12,-0.2 -0.969 52.7 -15.0-152.0 159.8 41.8 18.9 19.2 28 28 A G E 4 S+A 14 0A 0 -14,-2.0 -14,-1.5 -2,-0.3 2,-1.0 -0.159 122.0 1.8 50.4-121.0 43.3 15.4 19.2 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.615 127.9 -53.4 -96.5 78.2 42.0 13.2 16.4 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-1.2 -19,-0.4 -2,-0.2 0.750 83.5 158.1 70.3 18.7 39.6 15.3 14.3 31 31 A H E < -B 27 0A 30 -4,-2.2 -4,-1.0 -20,-0.1 -1,-0.2 -0.650 33.6-146.4 -84.8 94.5 37.5 16.3 17.3 32 32 A L E -B 26 0A 74 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.309 18.2-178.6 -54.0 122.1 35.7 19.6 16.4 33 33 A L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.3 -7,-0.2 0.849 62.1 -18.2 -90.0 -42.0 35.3 21.7 19.6 34 34 A T E -B 25 0A 26 -9,-1.5 -9,-0.9 2,-0.0 -1,-0.3 -0.955 38.8-142.1-164.8 141.5 33.4 24.7 18.3 35 35 A K S S+ 0 0 145 -2,-0.3 -11,-0.1 -11,-0.2 -3,-0.0 0.090 79.8 98.3 -91.8 18.6 32.6 26.4 15.0 36 36 A S S S- 0 0 49 2,-0.2 6,-0.3 -11,-0.1 -11,-0.2 -0.887 76.8-126.7-112.6 142.6 33.0 29.7 16.8 37 37 A P S S+ 0 0 113 0, 0.0 2,-0.8 0, 0.0 3,-0.2 0.516 73.4 108.0 -69.9 -3.2 35.9 32.0 16.9 38 38 A S > - 0 0 56 1,-0.2 4,-2.6 2,-0.1 3,-0.2 -0.645 48.9-167.4 -79.2 124.0 36.4 32.4 20.4 39 39 A L H > S+ 0 0 68 -2,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.681 99.3 54.1 -69.1 -14.9 39.5 30.5 21.3 40 40 A N H > S+ 0 0 114 2,-0.2 4,-0.6 -3,-0.2 -1,-0.3 0.769 102.0 52.5 -91.1 -22.2 38.2 31.1 24.6 41 41 A A H >> S+ 0 0 33 -3,-0.2 4,-2.1 2,-0.2 3,-0.8 0.959 111.9 49.7 -71.3 -46.3 34.9 29.5 23.6 42 42 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.4 -6,-0.3 -2,-0.2 0.783 105.9 53.7 -59.2 -37.7 37.0 26.5 22.5 43 43 A K H 3X S+ 0 0 48 -4,-1.6 4,-1.4 2,-0.2 12,-0.3 0.810 110.7 48.7 -70.8 -23.7 39.0 26.2 25.7 44 44 A S H S+ 0 0 38 -4,-1.4 4,-2.0 2,-0.2 5,-1.1 0.851 111.2 53.2 -66.7 -38.1 37.3 21.6 29.6 48 48 A K H <5S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 111.2 48.1 -60.9 -47.9 33.7 20.5 29.5 49 49 A A H <5S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.892 119.8 34.9 -63.2 -42.0 34.7 17.6 27.3 50 50 A I H <5S- 0 0 37 -4,-2.1 -1,-0.2 2,-0.3 -2,-0.2 0.641 101.1-128.6 -88.2 -20.3 37.7 16.4 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.855 77.8 69.6 70.9 36.5 36.2 17.2 32.7 52 52 A R S - 0 0 13 -2,-0.6 2,-1.3 -11,-0.3 3,-0.6 0.635 35.7-149.1-116.7 -41.6 43.3 21.8 30.3 55 55 A N T 3 S- 0 0 113 -12,-0.3 -9,-0.1 1,-0.2 -8,-0.1 -0.522 74.4 -47.2 89.5 -64.7 44.0 25.0 28.5 56 56 A G T 3 S+ 0 0 9 -2,-1.3 -39,-2.0 1,-0.2 2,-0.5 0.184 119.1 99.8 172.4 20.3 44.3 23.7 25.0 57 57 A V B < +C 16 0B 56 -3,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.973 43.4 169.2-131.4 117.3 46.5 21.0 25.9 58 58 A I - 0 0 4 -43,-2.4 2,-0.1 -2,-0.5 -30,-0.1 -0.881 31.8-111.7-122.6 162.3 45.5 17.4 26.4 59 59 A T >> - 0 0 62 -2,-0.3 4,-1.6 1,-0.1 3,-1.0 -0.450 33.7-108.3 -80.8 158.3 47.4 14.1 26.8 60 60 A K H 3> S+ 0 0 112 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.812 121.1 57.2 -53.8 -38.9 47.4 11.3 24.2 61 61 A D H 3> S+ 0 0 118 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.848 104.8 52.1 -62.8 -34.1 45.2 9.3 26.4 62 62 A E H <> S+ 0 0 37 -3,-1.0 4,-1.8 1,-0.2 -2,-0.2 0.895 109.1 48.9 -67.3 -39.8 42.8 12.1 26.5 63 63 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -34,-0.5 0.661 109.8 51.3 -72.4 -26.4 42.6 12.3 22.7 64 64 A E H X S+ 0 0 79 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.789 107.4 53.0 -83.3 -31.1 42.1 8.6 22.3 65 65 A K H X S+ 0 0 129 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.886 110.8 47.4 -66.8 -40.0 39.3 8.8 24.7 66 66 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.951 112.3 51.0 -63.8 -45.1 37.8 11.5 22.6 67 67 A F H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.914 106.4 52.0 -59.0 -54.4 38.5 9.3 19.5 68 68 A N H X S+ 0 0 92 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.885 112.5 47.3 -51.4 -46.1 36.8 6.2 20.9 69 69 A Q H X S+ 0 0 98 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.879 111.9 49.9 -62.4 -45.3 33.7 8.3 21.8 70 70 A D H X S+ 0 0 37 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.840 111.4 46.6 -62.1 -42.5 33.6 10.0 18.4 71 71 A V H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.931 114.1 49.9 -68.2 -43.2 33.9 6.7 16.4 72 72 A D H X S+ 0 0 86 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.949 111.0 47.9 -58.6 -48.3 31.2 5.2 18.6 73 73 A A H X S+ 0 0 43 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.846 110.1 53.7 -61.8 -37.1 28.9 8.1 18.1 74 74 A A H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.972 111.4 44.0 -64.2 -53.8 29.5 7.9 14.4 75 75 A V H X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.906 115.2 48.1 -53.3 -50.9 28.5 4.2 14.2 76 76 A R H X S+ 0 0 113 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.812 110.5 52.4 -63.6 -32.2 25.5 4.6 16.4 77 77 A G H X S+ 0 0 1 -4,-1.7 4,-1.0 -5,-0.2 3,-0.3 0.887 108.7 49.6 -68.7 -41.9 24.3 7.6 14.4 78 78 A I H < S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 7,-0.4 0.914 111.2 49.4 -60.2 -45.9 24.6 5.7 11.2 79 79 A L H < S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.637 113.8 46.0 -70.3 -20.4 22.5 2.8 12.7 80 80 A R H < S+ 0 0 165 -4,-0.9 2,-0.4 -3,-0.3 -1,-0.2 0.550 93.5 96.6 -93.0 -17.6 19.8 5.2 14.0 81 81 A N X - 0 0 24 -4,-1.0 4,-2.7 -3,-0.5 -4,-0.0 -0.683 64.8-149.3 -87.0 127.2 19.6 7.2 10.7 82 82 A A T 4 S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.752 99.7 40.7 -64.0 -24.3 16.8 6.2 8.3 83 83 A K T 4 S+ 0 0 137 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.855 120.3 41.5 -88.6 -39.7 18.9 7.3 5.3 84 84 A L T >> S+ 0 0 0 -7,-0.2 4,-2.5 1,-0.1 3,-0.9 0.880 101.5 66.8 -79.6 -47.1 22.2 5.9 6.5 85 85 A K H 3X S+ 0 0 82 -4,-2.7 4,-2.8 -7,-0.4 5,-0.3 0.878 98.5 48.8 -49.6 -55.0 21.2 2.6 7.9 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.815 112.6 49.7 -60.1 -29.1 20.1 0.8 4.7 87 87 A V H <> S+ 0 0 1 -3,-0.9 4,-0.9 -4,-0.4 -2,-0.2 0.936 111.9 48.3 -73.2 -43.5 23.3 1.9 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.4 1,-0.2 -3,-0.2 0.953 110.6 50.0 -59.5 -48.8 25.4 0.7 5.7 89 89 A D H 3< S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.5 55.5 -60.2 -37.2 23.6 -2.7 5.9 90 90 A S H 3< S+ 0 0 37 -4,-1.4 -1,-0.3 -5,-0.3 2,-0.2 0.704 96.6 90.3 -69.1 -17.2 23.9 -3.2 2.2 91 91 A L S << S- 0 0 5 -3,-1.4 31,-0.0 -4,-0.9 30,-0.0 -0.544 74.3-118.4 -95.8 160.3 27.7 -2.8 2.2 92 92 A D > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.181 45.9 -94.8 -73.5 168.5 30.7 -5.1 2.7 93 93 A A H > S+ 0 0 71 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.811 119.1 47.7 -57.8 -38.7 33.1 -4.4 5.7 94 94 A V H >> S+ 0 0 28 62,-0.2 4,-1.5 2,-0.2 3,-0.9 0.969 113.8 47.0 -66.2 -52.6 35.7 -2.1 3.9 95 95 A R H 3> S+ 0 0 22 1,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.836 105.8 59.0 -57.7 -36.8 33.2 0.1 2.3 96 96 A R H 3X S+ 0 0 79 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.809 104.0 53.4 -61.1 -30.9 31.3 0.3 5.6 97 97 A C H S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 128.3 53.2 -55.2 -44.3 25.3 12.5 10.0 109 109 A T H > S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.894 107.6 48.8 -64.7 -42.3 23.5 15.4 8.5 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-0.9 1,-0.2 4,-0.2 0.935 112.1 46.7 -64.3 -49.8 26.1 16.1 5.9 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.7 1,-0.3 -2,-0.2 0.897 105.6 58.9 -62.9 -41.3 26.4 12.6 4.6 112 112 A A H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.3 3,-0.3 0.735 96.5 66.4 -60.9 -17.8 22.7 12.0 4.5 113 113 A G T << S+ 0 0 53 -3,-0.9 2,-1.0 -4,-0.5 -1,-0.3 0.623 75.3 85.7 -80.0 -9.8 22.6 14.9 2.1 114 114 A F X> + 0 0 42 -3,-2.7 4,-1.9 1,-0.2 3,-0.8 -0.243 57.5 160.9 -84.8 47.7 24.6 13.0 -0.5 115 115 A T H 3> + 0 0 81 -2,-1.0 4,-1.8 1,-0.3 -1,-0.2 0.775 66.3 43.7 -33.0 -58.0 21.4 11.4 -1.9 116 116 A N H 3> S+ 0 0 71 -3,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.883 114.0 49.8 -67.9 -36.7 22.5 10.4 -5.2 117 117 A S H <> S+ 0 0 2 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.828 109.0 52.7 -64.1 -43.2 25.7 8.9 -4.1 118 118 A L H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.844 108.4 51.3 -59.7 -41.7 24.1 6.9 -1.4 119 119 A R H X S+ 0 0 122 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.897 110.2 48.9 -67.6 -38.4 21.7 5.5 -4.0 120 120 A M H <>S+ 0 0 33 -4,-1.8 5,-2.6 1,-0.2 -1,-0.2 0.876 111.3 48.8 -67.9 -40.8 24.5 4.4 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.876 109.0 53.0 -66.4 -37.8 26.4 2.8 -3.5 122 122 A Q H 3<5S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.4 49.8 -63.5 -30.6 23.3 1.0 -2.4 123 123 A Q T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.363 114.2-120.8 -87.9 4.0 23.0 -0.2 -6.0 124 124 A K T < 5 + 0 0 99 -3,-1.5 2,-1.4 1,-0.2 -3,-0.2 0.661 62.8 147.8 63.2 26.3 26.7 -1.3 -5.9 125 125 A R >< + 0 0 125 -5,-2.6 4,-2.5 1,-0.2 5,-0.2 -0.565 19.3 172.8 -93.4 69.2 27.5 1.0 -8.8 126 126 A W H > + 0 0 49 -2,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.758 68.2 45.5 -45.4 -57.3 31.1 1.7 -7.7 127 127 A D H > S+ 0 0 83 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 115.7 49.0 -62.7 -40.3 32.6 3.7 -10.5 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.937 109.8 49.2 -68.2 -44.1 29.5 5.9 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.834 108.5 54.9 -57.7 -41.1 29.3 6.6 -7.1 130 130 A A H X S+ 0 0 8 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.868 109.1 47.9 -61.5 -38.9 33.0 7.6 -7.1 131 131 A V H < S+ 0 0 81 -4,-1.7 4,-0.5 2,-0.2 3,-0.3 0.924 114.0 46.6 -68.1 -46.7 32.5 10.1 -9.9 132 132 A N H >< S+ 0 0 45 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.854 108.0 55.8 -63.9 -38.8 29.4 11.6 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.2 6,-0.3 1,-0.2 -1,-0.2 0.845 100.9 59.5 -63.3 -32.9 31.2 11.8 -4.7 134 134 A A T 3< S+ 0 0 29 -4,-1.1 2,-1.1 -3,-0.3 -1,-0.2 0.673 87.3 79.3 -73.7 -13.0 34.0 13.9 -6.4 135 135 A K S < S+ 0 0 148 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 -0.358 79.2 100.6 -89.2 54.1 31.5 16.5 -7.3 136 136 A S S > S- 0 0 16 -2,-1.1 4,-1.9 -3,-0.2 3,-0.3 -0.961 82.1-120.7-138.3 159.2 31.3 18.1 -3.9 137 137 A R H > S+ 0 0 152 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.905 114.8 62.0 -57.7 -41.2 32.6 21.0 -1.9 138 138 A W H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.886 105.6 42.3 -50.7 -49.9 34.0 18.2 0.4 139 139 A Y H 4 S+ 0 0 56 -6,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.847 115.3 50.7 -66.3 -43.3 36.3 16.8 -2.3 140 140 A N H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.818 111.6 48.0 -66.6 -33.3 37.3 20.3 -3.5 141 141 A Q H < S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.948 131.7 14.1 -76.0 -45.2 38.2 21.4 -0.0 142 142 A T S X S+ 0 0 34 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 -0.666 71.5 169.3-131.8 80.0 40.3 18.4 0.9 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.822 71.6 53.5 -60.9 -42.5 41.1 16.4 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.916 115.7 38.4 -65.6 -43.1 43.7 14.0 -0.8 145 145 A R H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 116.5 51.5 -71.6 -45.0 41.6 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.936 110.3 50.3 -55.7 -43.4 38.4 12.7 -0.1 147 147 A K H X S+ 0 0 92 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.866 108.7 51.9 -62.1 -38.0 40.2 10.7 -2.8 148 148 A R H X S+ 0 0 51 -4,-1.4 4,-1.7 2,-0.2 3,-0.2 0.954 114.0 43.1 -60.1 -50.5 41.4 8.2 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.2 0.952 114.4 51.3 -60.7 -47.6 37.8 7.7 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.783 107.7 50.9 -62.1 -32.3 36.5 7.6 -2.5 151 151 A T H X S+ 0 0 51 -4,-1.5 4,-2.3 -5,-0.2 6,-0.4 0.849 107.3 54.8 -74.0 -35.9 39.0 5.0 -3.7 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 -2,-0.2 0.918 111.3 45.2 -62.5 -41.2 38.0 2.9 -0.7 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.908 113.9 48.4 -65.4 -46.6 34.4 3.1 -1.9 154 154 A R H < S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 125.9 24.9 -60.8 -43.5 35.3 2.4 -5.6 155 155 A T H < S- 0 0 59 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.595 84.9-133.9 -97.8 -30.6 37.5 -0.6 -4.9 156 156 A G S < S+ 0 0 18 -4,-2.4 2,-0.2 -5,-0.4 -62,-0.2 0.652 73.5 103.5 76.1 10.6 36.5 -2.2 -1.6 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.750 80.4-121.1-123.0 169.5 40.2 -2.5 -0.6 158 158 A W S >> S+ 0 0 55 -2,-0.2 3,-0.9 1,-0.2 4,-0.7 0.021 71.1 125.8 -94.8 26.6 42.5 -0.6 1.7 159 159 A D H >> + 0 0 87 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.856 63.9 56.5 -50.9 -45.3 44.7 0.3 -1.2 160 160 A A H 34 S+ 0 0 11 -3,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.742 114.1 40.3 -63.0 -23.4 44.7 4.1 -0.7 161 161 A Y H <4 S+ 0 0 1 -3,-0.9 3,-0.4 1,-0.1 -1,-0.3 0.502 92.3 81.7 -99.6 -14.3 46.0 3.8 2.8 162 162 A K H << S+ 0 0 161 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 0.808 87.4 65.7 -66.3 -23.7 48.5 1.0 2.1 163 163 A N < 0 0 120 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.723 360.0 360.0 -24.6 -79.5 50.5 3.9 1.0 164 164 A L 0 0 140 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 -0.441 360.0 360.0 161.6 360.0 50.8 5.3 4.3