==== 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 240L . 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) . 8583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.8 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 . 8 4.9 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.7 43.4 -1.8 9.2 2 2 A N > - 0 0 70 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.919 360.0 -81.6-151.3 177.0 40.2 -0.8 10.9 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.845 124.7 51.8 -54.1 -41.7 38.0 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 112.7 42.7 -64.1 -48.7 40.2 3.6 14.2 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.874 114.3 53.3 -65.8 -36.0 43.4 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.959 112.1 42.3 -63.8 -52.8 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.862 109.2 59.4 -64.3 -33.7 40.5 7.8 11.0 8 8 A R H X S+ 0 0 95 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.871 107.7 46.8 -62.9 -34.2 43.7 8.3 12.9 9 9 A I H < S+ 0 0 85 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.906 116.0 44.3 -72.2 -42.8 45.6 8.6 9.6 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 124.5 31.0 -72.1 -35.1 43.0 11.0 8.1 11 11 A E H < S- 0 0 46 -4,-2.8 19,-0.3 -5,-0.2 -3,-0.2 0.716 90.9-152.8 -96.8 -27.4 42.7 13.3 11.2 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.214 24.7 -90.1 77.3-175.9 46.1 13.1 12.8 13 13 A L + 0 0 33 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 40.6 175.6-140.0 123.0 46.5 13.7 16.6 14 14 A R E -A 28 0A 144 14,-1.8 14,-1.9 -2,-0.4 4,-0.1 -0.998 20.4-157.4-130.9 129.2 47.1 17.0 18.2 15 15 A L E S+ 0 0 71 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.230 76.3 58.2 -88.6 11.1 47.3 17.5 21.9 16 16 A K E S-C 57 0B 82 41,-0.2 12,-0.3 12,-0.1 41,-0.2 -0.932 100.7 -83.2-133.7 157.5 46.4 21.2 21.8 17 17 A I E + 0 0 15 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.423 59.5 170.0 -59.4 133.9 43.5 23.2 20.5 18 18 A Y E -A 26 0A 25 8,-3.0 8,-3.1 -4,-0.1 2,-0.5 -0.871 36.1-103.1-138.4 172.3 44.1 23.7 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.858 34.2-139.2-101.9 134.2 42.1 25.0 13.8 20 20 A D > - 0 0 48 4,-2.8 3,-1.6 -2,-0.5 -1,-0.1 -0.013 40.2 -80.4 -76.5-169.1 40.7 22.4 11.3 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.724 134.1 49.0 -66.1 -23.5 40.7 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 0.368 123.4-104.5 -94.6 0.3 37.7 24.9 7.8 23 23 A G S < S+ 0 0 38 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.595 74.5 140.8 85.9 15.5 39.2 27.1 10.4 24 24 A Y - 0 0 81 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.723 60.4-101.5 -95.1 145.1 37.2 25.7 13.3 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-2.9 11,-0.4 9,-1.4 -0.407 54.1 161.0 -65.4 126.1 38.6 25.0 16.8 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.0 6,-0.3 2,-0.3 -0.888 19.3-163.7-138.7 164.2 39.3 21.3 17.2 27 27 A A E > - B 0 31A 0 4,-1.8 4,-1.9 -2,-0.3 2,-0.2 -0.983 52.4 -2.5-148.9 161.0 41.4 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-1.9 -14,-1.8 -2,-0.3 2,-1.0 -0.396 123.3 -2.8 68.1-129.9 42.8 15.6 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.627 127.7 -54.4-100.5 71.4 41.8 13.3 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.737 83.0 160.8 70.6 24.4 39.5 15.6 14.8 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.8 1,-0.0 -1,-0.2 -0.638 33.6-142.0 -83.4 104.5 37.3 16.4 17.7 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.376 20.5-177.8 -63.7 129.7 35.4 19.6 16.7 33 33 A L E - 0 0 16 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.886 56.4 -26.8 -96.4 -46.0 34.9 21.8 19.6 34 34 A T E -B 25 0A 31 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.971 34.1-136.4-166.4 152.6 33.0 24.8 18.2 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.502 75.7 110.3 -91.7 -5.0 32.3 26.7 15.0 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.428 73.5-131.6 -75.7 146.6 32.6 29.9 17.0 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.560 76.0 106.3 -71.0 -9.4 35.5 32.3 16.5 38 38 A S > - 0 0 50 1,-0.2 4,-1.7 2,-0.0 -2,-0.1 -0.660 54.1-163.4 -84.5 120.5 36.2 32.5 20.2 39 39 A L H > S+ 0 0 67 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.795 96.0 56.3 -64.7 -30.0 39.2 30.6 21.6 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 103.8 50.0 -68.8 -44.1 37.6 31.0 24.9 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.886 111.7 51.1 -59.8 -36.2 34.5 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.914 108.6 49.3 -67.3 -44.5 36.7 26.6 22.5 43 43 A K H X S+ 0 0 50 -4,-2.5 4,-2.4 1,-0.2 11,-0.2 0.904 110.3 53.5 -61.8 -38.2 38.6 26.2 25.8 44 44 A S H X S+ 0 0 70 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.913 109.5 45.7 -63.0 -44.7 35.2 26.1 27.5 45 45 A E H X S+ 0 0 65 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.891 111.2 54.0 -67.8 -37.6 33.9 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.937 109.5 47.1 -62.3 -44.7 37.2 21.3 25.7 47 47 A D H X>S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 5,-1.2 0.912 112.1 49.9 -61.5 -42.4 37.0 21.5 29.5 48 48 A K H <5S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.0 48.8 -65.7 -36.2 33.4 20.4 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.885 120.4 35.3 -70.5 -37.9 34.2 17.5 27.2 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.745 104.0-124.9 -88.3 -30.2 37.2 16.3 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.821 76.0 70.2 88.6 32.0 35.9 17.1 32.7 52 52 A R S - 0 0 7 -2,-1.0 3,-1.4 -11,-0.2 -1,-0.2 0.751 32.7-142.9 -88.3 -27.7 42.6 21.8 30.6 55 55 A N T 3 S- 0 0 118 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.813 74.6 -61.5 64.8 27.9 44.0 25.2 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.4 1,-0.2 2,-0.4 0.595 117.6 105.8 75.1 12.8 43.6 24.0 26.1 57 57 A V B < +C 16 0B 76 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.988 43.3 176.7-127.5 131.3 46.0 21.1 26.5 58 58 A I - 0 0 6 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.810 25.5-112.3-127.9 169.5 45.1 17.4 26.8 59 59 A T > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.545 31.3-107.6 -96.1 168.4 46.9 14.1 27.1 60 60 A K H > S+ 0 0 104 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.899 121.0 52.2 -60.5 -44.1 47.0 11.2 24.6 61 61 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.884 109.5 49.9 -59.1 -41.7 44.7 9.1 26.7 62 62 A E H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 109.8 50.9 -63.3 -43.2 42.2 12.0 26.8 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -34,-0.4 0.914 110.8 49.1 -60.0 -44.6 42.4 12.4 23.1 64 64 A E H X S+ 0 0 77 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.821 107.7 54.2 -66.2 -32.1 41.8 8.7 22.6 65 65 A K H X S+ 0 0 136 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.946 109.0 46.3 -68.6 -44.8 38.9 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 112.3 55.0 -59.1 -41.1 37.2 11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.942 106.0 48.6 -58.9 -49.8 38.0 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.919 112.7 49.4 -58.3 -42.8 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 111.2 49.5 -62.4 -40.9 33.3 8.4 21.9 70 70 A D H X S+ 0 0 34 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.853 110.3 48.7 -67.9 -36.8 33.2 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.951 112.5 49.4 -66.8 -45.9 33.5 6.9 16.5 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.941 110.7 50.3 -56.9 -46.8 30.8 5.3 18.6 73 73 A A H X S+ 0 0 51 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.884 107.7 52.9 -62.7 -37.0 28.5 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.935 111.3 46.0 -63.9 -45.5 29.1 8.3 14.3 75 75 A V H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 114.0 47.9 -61.4 -46.9 28.0 4.6 14.1 76 76 A R H X S+ 0 0 106 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.877 110.0 54.2 -63.1 -32.4 25.0 5.2 16.3 77 77 A G H X S+ 0 0 13 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.919 108.0 48.6 -66.9 -44.7 24.1 8.2 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 7,-0.3 0.928 110.3 51.8 -61.6 -43.2 24.2 6.2 11.0 79 79 A L H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.2 46.9 -69.6 -21.5 22.0 3.5 12.5 80 80 A R H 3< S+ 0 0 195 -4,-1.3 2,-0.6 -3,-0.2 -1,-0.3 0.552 92.9 94.3 -94.4 -8.1 19.4 5.9 13.6 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.2 3,-0.3 0.843 101.2 68.4 -87.2 -38.5 21.9 6.2 6.1 85 85 A K H X S+ 0 0 81 -4,-2.8 4,-2.9 -7,-0.3 5,-0.2 0.911 97.9 50.4 -51.7 -48.9 21.0 3.0 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.882 112.3 48.6 -61.5 -33.3 19.9 1.1 4.7 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.3 3,-0.3 0.962 111.4 48.0 -68.8 -49.2 23.0 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.923 110.1 52.7 -56.5 -47.0 25.2 1.0 5.8 89 89 A D H 3< S+ 0 0 75 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.819 107.1 54.1 -63.0 -29.1 23.4 -2.3 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.658 96.6 86.3 -78.3 -15.6 23.9 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.1 2,-0.1 -4,-0.9 31,-0.0 -0.498 75.7-115.8 -91.8 160.2 27.6 -2.6 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.249 43.9 -93.0 -78.2 171.6 30.6 -4.9 3.3 93 93 A A H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.843 121.6 48.3 -60.6 -39.2 32.8 -4.2 6.3 94 94 A V H >> S+ 0 0 27 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.951 113.4 46.4 -67.0 -47.4 35.5 -2.2 4.5 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.837 105.4 61.3 -66.1 -30.9 33.0 0.1 2.7 96 96 A R H 3X S+ 0 0 76 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.900 101.1 53.8 -59.1 -39.9 31.1 0.5 6.0 97 97 A A H S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 128.1 51.8 -58.1 -44.4 25.1 12.7 9.5 109 109 A T H > S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.930 108.6 51.3 -62.2 -44.8 23.2 15.5 8.0 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-0.7 1,-0.2 -2,-0.2 0.945 114.2 41.9 -57.7 -51.9 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.2 -1,-0.2 0.907 106.5 61.2 -64.9 -41.0 26.3 12.7 4.4 112 112 A A H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 95.4 66.9 -56.1 -25.7 22.6 12.1 4.2 113 113 A G T << S+ 0 0 56 -4,-1.1 2,-1.4 -3,-0.7 -1,-0.3 0.550 74.3 87.6 -73.2 -7.9 22.6 14.9 1.6 114 114 A F <> + 0 0 41 -3,-2.8 4,-2.6 1,-0.2 5,-0.3 -0.270 56.1 159.6 -88.8 57.2 24.6 12.9 -0.9 115 115 A T H > + 0 0 88 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.840 65.8 43.7 -44.0 -57.2 21.4 11.4 -2.2 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.911 114.8 48.2 -62.2 -43.1 22.5 10.2 -5.6 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.877 109.8 54.5 -65.9 -38.0 25.8 8.7 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.925 108.3 48.3 -60.7 -44.0 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 119 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.911 111.3 50.3 -65.1 -38.9 21.6 5.3 -4.1 120 120 A M H <>S+ 0 0 29 -4,-2.1 5,-2.1 1,-0.2 4,-0.4 0.875 110.5 49.6 -66.6 -37.1 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.924 108.3 52.6 -67.1 -42.4 26.3 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 109.5 50.5 -60.6 -32.7 23.3 0.9 -2.3 123 123 A Q T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.477 112.0-121.8 -82.2 -6.1 23.0 -0.5 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.5 2,-1.4 -4,-0.4 -3,-0.2 0.787 62.4 145.9 68.7 29.8 26.7 -1.6 -5.8 125 125 A R >< + 0 0 106 -5,-2.1 4,-2.2 1,-0.2 5,-0.2 -0.655 22.1 174.6 -96.6 75.4 27.5 0.6 -8.8 126 126 A W H > + 0 0 49 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.881 68.1 44.5 -54.4 -52.7 31.0 1.3 -7.5 127 127 A D H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 114.6 50.3 -64.0 -39.4 32.6 3.2 -10.3 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 109.7 49.6 -65.9 -38.2 29.6 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.911 107.8 55.2 -65.2 -40.8 29.3 6.2 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.898 108.7 47.5 -61.1 -41.3 33.0 7.2 -7.1 131 131 A V H X S+ 0 0 93 -4,-1.8 4,-0.6 2,-0.2 3,-0.3 0.943 114.1 46.4 -65.7 -46.0 32.5 9.6 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.899 108.0 56.6 -64.5 -39.3 29.4 11.1 -8.3 133 133 A L H 3< S+ 0 0 3 -4,-3.4 6,-0.4 1,-0.3 -1,-0.2 0.857 101.3 58.4 -61.4 -32.7 31.1 11.4 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.8 -3,-0.3 -1,-0.3 0.680 85.9 80.2 -71.6 -17.4 33.9 13.5 -6.5 135 135 A K S << S+ 0 0 163 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.523 81.1 95.4 -86.7 68.1 31.5 16.2 -7.7 136 136 A S S > S- 0 0 18 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.997 85.7-114.2-153.6 160.7 31.2 17.8 -4.4 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.906 114.1 63.1 -62.7 -38.9 32.6 20.6 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.943 105.5 43.9 -48.8 -50.4 34.1 17.9 0.0 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 114.4 49.3 -66.4 -41.9 36.3 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.0 42.2 -68.9 -31.4 37.4 20.0 -3.9 141 141 A Q H < S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.861 131.9 19.8 -82.5 -39.3 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 22 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 -0.569 73.9 162.0-131.0 71.1 40.0 18.1 0.9 143 143 A P H > + 0 0 50 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.827 69.0 51.5 -62.9 -37.7 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.925 116.1 41.0 -71.0 -38.6 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 114.3 52.1 -70.0 -44.6 41.4 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.933 107.6 54.0 -58.3 -41.6 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 102 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.884 107.3 50.8 -58.9 -40.3 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.936 114.0 42.7 -65.3 -43.8 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 114.3 51.4 -68.7 -42.1 37.7 7.4 1.0 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.908 109.3 50.0 -60.9 -42.7 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.6 4,-2.9 -5,-0.2 6,-0.4 0.867 107.6 55.8 -63.4 -33.5 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.924 110.6 42.8 -65.1 -44.7 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.4 51.7 -69.1 -36.5 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 107 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.908 124.5 22.4 -64.9 -45.6 35.4 1.9 -5.3 155 155 A T H < S- 0 0 44 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.676 85.5-135.0 -97.8 -26.0 37.5 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.707 73.8 101.0 73.2 20.1 36.3 -2.4 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.812 80.7-120.0-127.9 172.2 40.0 -2.8 -0.0 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 0.122 70.4 123.7 -96.3 18.1 42.2 -0.7 2.2 159 159 A D G >4 + 0 0 94 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.815 66.8 57.8 -51.8 -33.0 44.7 -0.1 -0.6 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.663 108.1 48.0 -73.2 -15.4 44.6 3.7 -0.3 161 161 A Y G <4 0 0 18 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.444 360.0 360.0-105.9 0.5 45.6 3.5 3.3 162 162 A K << 0 0 171 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.811 360.0 360.0-106.3 360.0 48.5 1.1 2.9