==== 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 1L00 . 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) . 8824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 74.4 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 . 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 76 0, 0.0 2,-0.2 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.8 43.8 -1.9 8.8 2 2 A N > - 0 0 71 95,-0.0 4,-2.1 92,-0.0 5,-0.2 -0.802 360.0 -90.6-133.2 177.0 40.8 -0.9 10.9 3 3 A I H > S+ 0 0 21 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.851 121.8 51.7 -64.2 -36.1 38.6 2.3 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.7 45.2 -67.2 -42.6 40.7 3.8 14.0 5 5 A E H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.891 113.2 52.2 -67.4 -39.3 44.0 3.5 12.1 6 6 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 112.5 43.9 -61.8 -47.5 42.3 4.8 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.5 0.866 108.4 57.6 -69.4 -33.2 41.0 7.9 10.8 8 8 A R H X S+ 0 0 115 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.929 107.5 50.3 -62.6 -34.6 44.3 8.4 12.6 9 9 A I H < S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.981 116.5 39.0 -64.2 -53.6 45.8 8.6 9.1 10 10 A D H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.697 125.2 34.8 -68.2 -31.0 43.3 11.2 7.8 11 11 A E H < S- 0 0 40 -4,-2.5 19,-0.4 -5,-0.1 -3,-0.2 0.723 88.4-151.7-102.1 -28.4 43.0 13.3 11.0 12 12 A G < - 0 0 21 -4,-1.9 2,-0.4 -5,-0.5 -1,-0.1 -0.255 23.0 -92.1 79.6 176.2 46.4 13.4 12.5 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.934 39.2 176.0-135.0 116.3 46.9 13.8 16.2 14 14 A R E -A 28 0A 115 14,-1.7 14,-2.3 -2,-0.4 4,-0.1 -0.982 18.3-161.7-122.4 125.1 47.4 17.2 17.9 15 15 A L E S+ 0 0 72 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.396 76.9 58.0 -84.0 1.9 47.7 17.5 21.7 16 16 A K E S-C 57 0B 119 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.974 100.9 -82.8-132.3 152.2 47.0 21.2 21.6 17 17 A I E + 0 0 13 39,-1.1 2,-0.3 -2,-0.3 10,-0.2 -0.044 58.1 170.9 -45.5 138.9 44.1 23.3 20.2 18 18 A Y E -A 26 0A 22 8,-2.0 8,-2.5 -4,-0.1 2,-0.6 -0.947 35.1-104.1-152.5 164.9 44.4 23.9 16.7 19 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.908 34.1-134.6-103.4 132.1 42.6 25.2 13.8 20 20 A D > - 0 0 46 4,-4.0 3,-1.1 -2,-0.6 -1,-0.1 -0.002 33.4 -93.4 -69.1 174.2 41.1 22.9 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.869 127.8 50.7 -53.0 -42.6 41.2 23.1 7.6 22 22 A E T 3 S- 0 0 71 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.517 127.4 -95.6 -75.8 -16.0 37.9 24.9 7.8 23 23 A G S < S+ 0 0 40 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.330 79.1 139.2 112.9 -0.4 38.9 27.4 10.4 24 24 A Y - 0 0 73 -5,-0.1 -4,-4.0 1,-0.1 2,-0.4 -0.516 61.0-108.0 -93.2 152.8 37.6 25.6 13.4 25 25 A Y E +AB 19 34A 30 9,-1.1 8,-2.9 11,-0.3 9,-1.1 -0.552 52.5 164.2 -70.6 112.0 38.8 25.0 16.9 26 26 A T E -AB 18 32A 2 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.3 -0.913 18.9-164.6-132.3 156.7 39.7 21.2 17.0 27 27 A I E > - B 0 31A 0 4,-2.1 4,-2.0 -2,-0.3 -12,-0.2 -0.973 50.9 -15.2-147.1 153.7 41.7 18.9 19.3 28 28 A G E 4 S+A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-1.0 -0.281 124.2 2.1 62.1-120.8 43.4 15.4 19.3 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.678 130.5 -52.5-101.0 81.5 42.2 13.2 16.4 30 30 A G T 4 S+ 0 0 20 -2,-1.0 2,-1.0 -19,-0.4 -2,-0.2 0.689 84.8 158.9 65.0 20.8 39.8 15.4 14.5 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-2.1 -20,-0.0 2,-0.2 -0.677 31.4-147.4 -83.3 98.4 37.7 16.4 17.6 32 32 A L E -B 26 0A 62 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.419 18.9-179.6 -64.7 126.3 35.9 19.6 16.8 33 33 A L E - 0 0 17 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.927 60.9 -16.1 -92.3 -58.6 35.4 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.1 -9,-1.1 2,-0.1 -1,-0.4 -0.986 36.3-145.5-149.3 154.4 33.5 24.8 18.4 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 -3,-0.0 0.459 76.2 105.6 -92.3 -9.7 32.6 26.5 15.1 36 36 A S S S- 0 0 41 2,-0.1 -11,-0.3 1,-0.1 6,-0.2 -0.402 77.8-123.7 -75.7 151.1 32.9 29.8 17.0 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.570 76.5 103.2 -68.3 -17.5 35.7 32.3 16.8 38 38 A S > - 0 0 52 1,-0.2 4,-2.2 2,-0.1 5,-0.3 -0.587 52.3-163.5 -85.2 117.3 36.6 32.5 20.4 39 39 A L H > S+ 0 0 73 -2,-0.8 4,-1.9 1,-0.3 -1,-0.2 0.765 100.8 54.7 -59.4 -19.8 39.7 30.6 21.5 40 40 A N H > S+ 0 0 119 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.894 103.5 50.4 -80.6 -40.0 38.1 31.1 24.9 41 41 A A H >> S+ 0 0 37 -3,-0.2 3,-2.2 1,-0.2 4,-2.0 0.999 113.5 48.4 -55.0 -59.3 34.9 29.4 23.8 42 42 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.859 108.3 53.6 -45.0 -45.7 37.1 26.5 22.5 43 43 A K H 3X S+ 0 0 54 -4,-1.9 4,-1.2 -5,-0.3 11,-0.3 0.820 110.5 48.4 -67.1 -20.7 39.0 26.4 25.8 44 44 A S H S+ 0 0 38 -4,-1.2 4,-3.3 2,-0.2 5,-0.9 0.900 115.0 49.9 -71.1 -35.4 37.5 21.6 29.8 48 48 A K H <5S+ 0 0 138 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.939 109.2 50.5 -67.2 -46.3 33.9 20.4 29.7 49 49 A A H <5S+ 0 0 44 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.845 122.5 33.3 -60.1 -33.1 34.7 17.7 27.2 50 50 A I H <5S- 0 0 39 -4,-1.6 -2,-0.2 2,-0.3 -1,-0.2 0.757 100.1-126.8 -94.8 -34.6 37.6 16.4 29.5 51 51 A G T <5S+ 0 0 68 -4,-3.3 2,-0.3 1,-0.4 -3,-0.2 0.694 79.0 74.8 94.0 18.2 36.4 17.2 33.0 52 52 A R S - 0 0 8 -2,-0.7 3,-1.5 -11,-0.3 -1,-0.2 0.647 29.8-149.8-103.4 -24.5 43.2 21.9 30.3 55 55 A N T 3 S- 0 0 121 1,-0.3 -12,-0.1 -12,-0.2 3,-0.1 0.801 77.0 -50.0 56.2 32.5 44.3 25.2 29.2 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.1 1,-0.2 2,-0.5 0.539 118.0 104.1 86.6 9.1 44.3 24.0 25.6 57 57 A V B < +C 16 0B 79 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.951 40.6 173.3-135.8 135.8 46.3 21.0 26.3 58 58 A I - 0 0 4 -43,-2.3 2,-0.1 -2,-0.5 -30,-0.1 -0.895 27.1-118.8-130.2 162.6 45.6 17.3 26.6 59 59 A T >> - 0 0 63 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.421 35.5-106.0 -88.2 164.3 47.5 14.0 26.9 60 60 A K H 3> S+ 0 0 108 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.916 120.1 58.4 -54.7 -50.5 47.4 11.1 24.4 61 61 A D H 3> S+ 0 0 117 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.774 106.8 47.0 -49.4 -39.2 45.2 9.2 26.6 62 62 A E H <> S+ 0 0 36 -3,-0.7 4,-2.1 2,-0.2 -1,-0.3 0.833 110.3 51.0 -74.7 -39.4 42.7 11.9 26.6 63 63 A A H X S+ 0 0 1 -4,-1.6 4,-1.5 -3,-0.2 -34,-0.4 0.771 112.1 48.8 -66.2 -35.1 42.8 12.3 22.8 64 64 A E H X S+ 0 0 74 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.797 107.9 53.0 -76.3 -32.2 42.3 8.6 22.4 65 65 A K H X S+ 0 0 137 -4,-1.0 4,-2.1 -5,-0.2 -2,-0.2 0.948 111.8 47.5 -66.0 -47.1 39.3 8.6 25.0 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.843 111.3 50.8 -56.5 -43.1 37.8 11.4 22.8 67 67 A F H X S+ 0 0 12 -4,-1.5 4,-2.3 2,-0.2 5,-0.3 0.918 105.6 54.8 -69.7 -40.9 38.4 9.4 19.7 68 68 A N H X S+ 0 0 92 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.950 110.9 46.8 -57.0 -46.0 36.8 6.3 21.1 69 69 A Q H X S+ 0 0 91 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.860 111.2 51.4 -59.0 -45.2 33.7 8.3 21.8 70 70 A D H X S+ 0 0 38 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.895 111.6 43.8 -59.9 -52.1 33.6 9.9 18.4 71 71 A V H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.951 115.5 51.5 -59.9 -49.2 33.9 6.7 16.4 72 72 A D H X S+ 0 0 88 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.944 112.2 44.9 -55.1 -49.1 31.3 5.2 18.7 73 73 A A H X S+ 0 0 43 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.3 0.898 111.2 55.3 -65.3 -35.7 29.0 8.1 18.2 74 74 A A H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.950 111.0 42.9 -59.8 -54.3 29.6 7.9 14.4 75 75 A V H X S+ 0 0 35 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.929 115.2 47.9 -60.6 -46.5 28.6 4.3 14.1 76 76 A R H X S+ 0 0 115 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.829 110.4 55.7 -65.4 -27.7 25.5 4.5 16.4 77 77 A G H >X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.3 3,-1.1 0.964 106.7 46.7 -64.5 -57.1 24.5 7.6 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 7,-0.6 0.907 112.6 52.4 -46.3 -48.2 24.6 5.8 11.1 79 79 A L H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.604 112.2 44.5 -68.6 -18.2 22.5 2.9 12.7 80 80 A R H << S+ 0 0 157 -3,-1.1 2,-0.4 -4,-0.7 -1,-0.3 0.505 94.8 96.5-100.4 -21.1 19.9 5.2 14.0 81 81 A N S+ 0 0 135 2,-0.1 4,-0.7 1,-0.1 -1,-0.2 0.842 121.1 44.5 -87.2 -36.7 18.9 7.2 5.2 84 84 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.890 100.3 64.1 -74.9 -49.3 22.2 5.9 6.5 85 85 A K H X S+ 0 0 89 -4,-2.7 4,-3.0 -7,-0.6 5,-0.3 0.878 101.5 48.3 -46.9 -52.1 21.3 2.6 8.0 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.859 112.1 50.3 -64.8 -35.2 20.1 0.8 4.8 87 87 A V H X S+ 0 0 3 -4,-0.7 4,-0.6 -3,-0.4 -2,-0.2 0.939 112.9 47.4 -63.3 -49.0 23.2 1.9 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.7 1,-0.2 -3,-0.2 0.937 110.2 50.7 -57.7 -48.4 25.4 0.7 5.7 89 89 A D H 3< S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.2 56.0 -59.2 -32.8 23.6 -2.7 6.0 90 90 A S H 3< S+ 0 0 30 -4,-1.3 2,-0.3 -5,-0.3 -1,-0.3 0.620 95.5 86.0 -77.1 -13.3 24.0 -3.1 2.3 91 91 A L S << S- 0 0 5 -3,-1.7 31,-0.0 -4,-0.6 30,-0.0 -0.694 74.8-116.7 -99.2 157.4 27.8 -2.7 2.2 92 92 A D > - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.036 47.3 -91.0 -68.1 172.9 30.8 -5.0 2.7 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.848 120.4 46.0 -66.1 -35.4 33.1 -4.4 5.6 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.937 111.7 51.4 -71.6 -45.6 35.7 -2.1 4.0 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.898 103.9 60.9 -59.1 -34.4 33.2 0.1 2.4 96 96 A R H X S+ 0 0 79 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.896 101.2 51.9 -56.4 -44.5 31.5 0.3 5.8 97 97 A C H X S+ 0 0 20 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.856 106.6 55.1 -57.5 -41.0 34.7 1.9 7.2 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.862 108.8 45.9 -59.1 -48.0 34.6 4.5 4.3 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.876 113.5 51.6 -65.0 -37.5 31.0 5.6 5.2 100 100 A I H X S+ 0 0 7 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.901 106.4 53.0 -67.8 -37.7 32.0 5.7 8.7 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.970 111.6 45.7 -60.1 -48.9 35.0 7.9 7.9 102 102 A M H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.906 111.9 50.8 -56.2 -49.9 32.8 10.4 6.1 103 103 A V H X S+ 0 0 7 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.913 109.8 50.9 -59.1 -40.8 30.2 10.5 8.8 104 104 A F H < S+ 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.929 115.8 42.3 -60.9 -44.5 32.9 11.1 11.3 105 105 A A H < S+ 0 0 42 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.830 131.9 17.0 -74.0 -33.9 34.3 14.0 9.2 106 106 A M H X S- 0 0 49 -4,-2.8 4,-0.7 -5,-0.2 -3,-0.2 0.359 103.9-113.9-131.6 18.2 31.1 15.7 8.2 107 107 A G H X - 0 0 33 -4,-1.7 4,-2.5 -5,-0.3 5,-0.2 0.353 35.5 -77.7 63.9 160.1 28.4 14.5 10.5 108 108 A E H > S+ 0 0 53 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.888 128.2 52.3 -52.8 -47.0 25.3 12.4 9.7 109 109 A T H > S+ 0 0 124 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.917 108.2 48.9 -62.5 -46.3 23.4 15.3 8.3 110 110 A G H >< S+ 0 0 30 -4,-0.7 3,-0.8 2,-0.2 4,-0.3 0.936 113.5 47.8 -59.5 -47.6 26.1 16.2 5.9 111 111 A V H >< S+ 0 0 1 -4,-2.5 3,-2.8 1,-0.3 -2,-0.2 0.946 106.4 54.6 -61.4 -49.1 26.5 12.7 4.7 112 112 A A H 3< S+ 0 0 11 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.719 94.5 71.4 -62.3 -12.7 22.8 12.0 4.2 113 113 A G T << S+ 0 0 52 -4,-0.9 2,-1.8 -3,-0.8 3,-0.3 0.728 76.7 84.0 -69.7 -20.5 22.7 15.1 2.0 114 114 A F <> + 0 0 47 -3,-2.8 4,-2.4 -4,-0.3 -1,-0.2 -0.241 57.2 156.3 -78.9 49.3 24.7 12.9 -0.5 115 115 A T H > + 0 0 86 -2,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.854 65.3 43.9 -46.2 -52.6 21.4 11.5 -1.8 116 116 A N H > S+ 0 0 102 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.904 113.9 48.4 -65.8 -43.8 22.6 10.5 -5.2 117 117 A S H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 109.0 54.9 -62.9 -41.1 25.9 9.0 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.855 105.9 52.7 -58.6 -40.6 24.1 7.0 -1.4 119 119 A R H X S+ 0 0 174 -4,-1.6 4,-1.2 -5,-0.2 -1,-0.2 0.836 110.3 47.4 -63.2 -41.3 21.7 5.5 -4.0 120 120 A M H <>S+ 0 0 43 -4,-1.6 5,-2.6 2,-0.2 4,-0.4 0.762 109.9 53.3 -71.6 -32.3 24.7 4.4 -6.2 121 121 A L H ><5S+ 0 0 3 -4,-1.7 3,-1.0 3,-0.2 -2,-0.2 0.918 109.1 48.4 -67.9 -41.7 26.5 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.835 110.7 50.6 -66.0 -31.6 23.4 0.9 -2.5 123 123 A Q T 3<5S- 0 0 77 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.563 113.2-122.0 -83.0 -6.2 23.1 -0.2 -6.1 124 124 A K T < 5 + 0 0 100 -3,-1.0 2,-1.5 -4,-0.4 -3,-0.2 0.710 60.1 151.5 65.8 27.7 26.8 -1.2 -5.9 125 125 A R >< + 0 0 132 -5,-2.6 4,-1.9 1,-0.2 -1,-0.2 -0.662 17.6 174.4 -87.0 79.9 27.6 1.1 -8.8 126 126 A W H > + 0 0 48 -2,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.880 68.6 43.2 -58.3 -53.8 31.2 1.7 -7.7 127 127 A D H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 114.9 50.6 -61.4 -48.0 32.7 3.7 -10.5 128 128 A E H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 110.2 49.6 -60.5 -43.0 29.6 6.0 -10.8 129 129 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.874 105.9 57.0 -65.2 -39.3 29.5 6.7 -7.1 130 130 A A H X S+ 0 0 10 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.934 109.9 44.6 -56.9 -46.9 33.2 7.6 -7.1 131 131 A V H X S+ 0 0 88 -4,-2.0 4,-0.8 2,-0.2 3,-0.5 0.947 113.0 50.1 -61.4 -50.7 32.6 10.2 -9.8 132 132 A N H >< S+ 0 0 43 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.905 108.6 52.7 -54.6 -45.2 29.5 11.7 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.5 6,-0.3 1,-0.2 -1,-0.2 0.847 101.2 61.9 -59.9 -35.1 31.3 11.9 -4.7 134 134 A A H 3< S+ 0 0 28 -4,-1.3 2,-1.4 -3,-0.5 -1,-0.2 0.706 88.6 76.8 -66.3 -20.5 34.2 13.9 -6.4 135 135 A K S << S+ 0 0 151 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 -0.387 79.0 101.6 -90.9 60.3 31.6 16.6 -7.2 136 136 A S S > S- 0 0 14 -2,-1.4 4,-2.1 1,-0.1 5,-0.1 -0.956 82.6-119.4-140.5 159.8 31.4 18.1 -3.9 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.925 116.5 59.6 -59.9 -42.0 32.6 21.0 -1.9 138 138 A W H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 8,-0.2 0.872 105.3 46.3 -52.3 -46.6 34.3 18.3 0.4 139 139 A Y H 4 S+ 0 0 53 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.936 113.4 50.0 -63.2 -46.9 36.4 16.9 -2.5 140 140 A N H < S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.824 114.1 43.2 -62.6 -36.2 37.4 20.4 -3.5 141 141 A Q H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 130.7 19.9 -82.3 -36.1 38.5 21.5 -0.0 142 142 A T S X S+ 0 0 39 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 -0.519 72.1 166.1-135.8 71.0 40.4 18.4 1.0 143 143 A P H > S+ 0 0 53 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.730 70.1 51.6 -54.5 -42.8 41.2 16.6 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.939 116.6 37.7 -69.2 -48.9 43.8 14.1 -0.9 145 145 A R H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.909 116.8 51.9 -65.9 -45.3 41.8 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.920 109.5 52.6 -57.1 -38.8 38.5 12.8 0.0 147 147 A K H X S+ 0 0 97 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.865 105.3 52.0 -64.6 -39.9 40.4 10.9 -2.7 148 148 A R H X S+ 0 0 54 -4,-1.5 4,-2.2 2,-0.2 12,-0.2 0.921 112.9 46.7 -59.5 -43.3 41.5 8.1 -0.3 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.932 111.6 49.6 -65.6 -49.4 37.9 7.7 0.9 150 150 A I H X S+ 0 0 13 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.903 110.6 50.7 -57.1 -43.4 36.5 7.6 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.913 105.9 55.5 -61.3 -42.4 39.1 5.0 -3.6 152 152 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.876 112.7 43.2 -58.0 -36.9 38.1 3.0 -0.6 153 153 A F H < S+ 0 0 1 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.795 113.5 49.8 -75.0 -37.5 34.5 3.1 -2.0 154 154 A R H < S+ 0 0 113 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.874 127.0 24.0 -70.2 -41.5 35.4 2.4 -5.6 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.697 83.6-137.1 -98.6 -34.5 37.6 -0.6 -4.8 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.739 72.5 107.2 74.5 19.1 36.6 -2.1 -1.4 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.813 79.6-123.1-125.2 167.5 40.3 -2.4 -0.6 158 158 A W S > S+ 0 0 36 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.137 72.0 122.0 -92.7 16.9 42.6 -0.5 1.8 159 159 A D G > + 0 0 106 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.836 64.5 58.0 -47.0 -48.0 44.9 0.4 -1.1 160 160 A A G 3 S+ 0 0 18 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.697 109.8 47.8 -60.2 -17.0 44.7 4.2 -0.7 161 161 A Y G X S+ 0 0 1 -3,-1.9 3,-0.8 1,-0.2 2,-0.5 0.376 86.5 91.6-105.3 -0.1 46.0 3.7 2.9 162 162 A K T < S+ 0 0 125 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.191 84.2 45.9 -95.3 45.8 48.8 1.4 2.0 163 163 A N T 3 0 0 128 -2,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.210 360.0 360.0-150.7 -4.3 51.6 4.0 1.5 164 164 A L < 0 0 118 -3,-0.8 -2,-0.2 0, 0.0 -3,-0.1 0.402 360.0 360.0-113.1 360.0 50.9 5.9 4.6