==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2RBS . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8900.0 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 . 10 6.2 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 2 1 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 1 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 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 147.9 40.4 -38.3 7.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.906 360.0 -82.4-155.5 175.1 41.1 -35.0 5.3 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.833 125.5 51.5 -59.7 -35.3 39.4 -31.6 4.9 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 112.5 44.1 -67.8 -45.8 37.2 -32.9 2.0 5 5 A E H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.880 114.4 52.0 -64.8 -37.9 35.9 -35.9 4.0 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.949 112.9 41.8 -63.3 -52.5 35.4 -33.7 7.1 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.848 109.4 59.6 -67.8 -32.0 33.4 -31.1 5.3 8 8 A R H X S+ 0 0 109 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.905 108.4 45.8 -60.0 -40.5 31.4 -33.7 3.4 9 9 A I H < S+ 0 0 80 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.936 117.7 42.8 -63.9 -47.5 30.3 -35.1 6.8 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.792 125.3 31.6 -73.2 -29.1 29.4 -31.7 8.1 11 11 A E H < S- 0 0 42 -4,-2.7 19,-0.4 -5,-0.1 -1,-0.2 0.666 91.4-152.3-103.3 -23.3 27.7 -30.3 5.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.170 22.2 -90.1 74.6-174.0 26.1 -33.3 3.4 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.939 44.0 166.2-142.8 117.6 25.4 -33.6 -0.4 14 14 A R E -A 28 0A 148 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.999 22.9-159.0-132.9 135.0 22.2 -32.5 -2.0 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.519 74.2 63.2 -95.2 -5.6 21.7 -32.1 -5.7 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.876 100.9 -84.6-115.5 150.6 18.7 -29.8 -5.7 17 17 A I E + 0 0 32 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.281 58.7 166.9 -52.7 129.8 18.5 -26.2 -4.2 18 18 A Y E -A 26 0A 28 8,-2.7 8,-3.0 -4,-0.1 2,-0.5 -0.872 37.7-103.3-135.3 169.7 17.8 -26.4 -0.5 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.870 34.3-137.4 -98.1 135.0 18.0 -23.9 2.4 20 20 A D > - 0 0 44 4,-2.7 3,-2.0 -2,-0.5 -1,-0.1 0.006 42.0 -77.2 -74.9-171.6 20.9 -24.2 4.8 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 134.8 49.7 -62.8 -24.9 20.8 -24.0 8.6 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.397 123.0-104.5 -93.9 0.7 20.5 -20.2 8.4 23 23 A G S < S+ 0 0 39 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.594 75.1 139.2 86.0 14.9 17.6 -20.4 5.8 24 24 A Y - 0 0 73 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.751 61.4-100.6 -99.3 137.8 19.8 -19.5 2.8 25 25 A Y E +A 19 0A 34 11,-0.4 8,-2.6 -2,-0.4 9,-1.2 -0.300 55.1 160.3 -58.4 130.4 19.6 -21.1 -0.7 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.7 6,-0.3 2,-0.3 -0.891 19.2-168.1-147.7 160.4 22.4 -23.6 -1.1 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 2,-0.2 -0.977 51.4 4.7-150.6 164.2 23.3 -26.6 -3.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.9 -0.422 123.8 -7.0 72.8-130.0 25.8 -29.5 -3.4 29 29 A I T 4 S- 0 0 7 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.715 129.2 -52.4-104.7 74.7 28.2 -29.8 -0.5 30 30 A G T 4 S+ 0 0 12 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.818 81.4 164.6 61.6 33.5 27.3 -26.6 1.3 31 31 A H E < -B 27 0A 28 -4,-2.4 -4,-1.7 2,-0.0 2,-0.3 -0.731 31.2-143.4 -80.8 102.8 27.7 -24.3 -1.7 32 32 A L E -B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.500 18.5-174.9 -65.4 124.7 26.0 -21.1 -0.6 33 33 A L - 0 0 12 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.885 57.4 -35.7 -88.1 -46.7 24.2 -19.5 -3.6 34 34 A T - 0 0 33 -9,-1.2 -1,-0.4 2,-0.1 -9,-0.3 -0.959 36.4-127.4-169.3 157.4 22.9 -16.3 -2.2 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.385 75.3 116.8 -93.6 2.6 21.4 -14.7 1.0 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.445 66.0-141.5 -67.7 136.9 18.4 -13.4 -1.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.491 76.0 101.0 -75.9 -1.1 15.0 -14.8 -0.1 38 38 A S >> - 0 0 56 1,-0.2 4,-1.7 -13,-0.0 3,-0.5 -0.767 61.1-157.7 -89.7 116.8 14.2 -14.9 -3.9 39 39 A L H 3> S+ 0 0 67 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.840 94.1 58.3 -60.4 -34.4 14.5 -18.5 -5.3 40 40 A N H 3> S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 103.7 51.7 -63.9 -36.3 14.9 -17.0 -8.8 41 41 A A H <> S+ 0 0 33 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.911 109.8 50.2 -64.8 -41.3 17.9 -15.0 -7.7 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.899 108.4 52.1 -60.8 -42.5 19.4 -18.3 -6.3 43 43 A K H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 11,-0.3 0.887 108.1 51.5 -63.6 -38.8 18.7 -20.0 -9.6 44 44 A S H X S+ 0 0 73 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.951 110.0 49.3 -60.9 -48.2 20.6 -17.2 -11.5 45 45 A E H X S+ 0 0 69 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 111.2 50.2 -58.4 -40.8 23.5 -17.6 -9.1 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.949 110.4 48.2 -61.2 -51.4 23.5 -21.4 -9.7 47 47 A D H X>S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 5,-0.8 0.876 112.6 50.0 -58.6 -37.8 23.5 -21.1 -13.5 48 48 A K H <5S+ 0 0 144 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.883 112.3 47.0 -67.0 -40.8 26.3 -18.5 -13.3 49 49 A A H <5S+ 0 0 42 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.874 120.7 36.4 -70.0 -37.7 28.4 -20.8 -11.1 50 50 A I H <5S- 0 0 37 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.777 101.8-126.1 -89.4 -29.0 27.9 -24.0 -13.2 51 51 A G T <5S+ 0 0 68 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.695 78.3 68.8 87.0 22.0 27.9 -22.4 -16.7 52 52 A R S - 0 0 7 -2,-1.0 3,-1.4 -11,-0.3 -1,-0.2 0.627 30.3-143.4 -91.9 -18.4 20.4 -25.8 -14.4 55 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.881 74.3 -54.2 52.4 39.3 16.8 -25.2 -13.4 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.528 119.0 98.7 76.9 9.8 17.8 -25.7 -9.7 57 57 A V B < +C 16 0B 73 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.993 44.0 176.8-135.5 135.0 19.4 -29.2 -10.2 58 58 A I - 0 0 5 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.813 27.1-109.1-128.0 170.5 23.0 -30.3 -10.6 59 59 A T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.541 32.4-109.0 -93.1 165.8 25.0 -33.5 -10.9 60 60 A K H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 121.5 52.5 -59.0 -43.1 27.4 -35.1 -8.3 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 109.9 48.9 -59.2 -41.9 30.4 -34.1 -10.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.919 110.6 50.4 -64.4 -43.2 29.1 -30.5 -10.6 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.902 111.1 48.7 -58.0 -44.0 28.6 -30.5 -6.8 64 64 A E H X S+ 0 0 76 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.857 108.2 54.4 -70.6 -32.0 32.2 -31.8 -6.3 65 65 A K H X S+ 0 0 136 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 110.0 46.0 -64.3 -46.3 33.6 -29.2 -8.7 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.911 111.7 54.1 -59.5 -39.7 31.9 -26.4 -6.7 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.923 106.7 49.4 -62.3 -46.8 33.2 -28.1 -3.5 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.931 114.1 46.8 -56.8 -46.2 36.9 -28.2 -4.7 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.897 112.4 49.6 -61.1 -42.3 36.5 -24.5 -5.6 70 70 A D H X S+ 0 0 34 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.850 112.2 46.3 -71.0 -36.7 35.0 -23.6 -2.3 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.947 113.5 49.4 -66.4 -49.2 37.6 -25.4 -0.2 72 72 A D H X S+ 0 0 99 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.925 112.0 49.7 -53.9 -46.7 40.4 -23.8 -2.3 73 73 A A H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.830 107.0 54.3 -65.3 -35.1 38.7 -20.4 -1.8 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.936 113.4 42.3 -63.2 -46.7 38.4 -20.9 2.0 75 75 A V H X S+ 0 0 33 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.954 113.5 50.1 -63.9 -52.1 42.2 -21.6 2.3 76 76 A R H X S+ 0 0 53 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.848 111.2 52.1 -58.9 -36.3 43.3 -18.9 -0.1 77 77 A G H >X S+ 0 0 3 -4,-1.9 3,-1.4 -5,-0.2 4,-0.9 0.967 106.0 51.4 -59.8 -57.9 41.1 -16.4 1.9 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-1.2 1,-0.3 7,-0.5 0.889 108.4 53.6 -46.5 -46.0 42.6 -17.4 5.3 79 79 A L H 3< S+ 0 0 68 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.750 106.7 51.3 -67.1 -23.6 46.1 -16.8 3.8 80 80 A R H << S+ 0 0 192 -3,-1.4 2,-0.7 -4,-0.9 -1,-0.3 0.553 90.7 91.8 -89.1 -5.7 45.1 -13.3 2.6 81 81 A N S+ 0 0 123 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.816 118.9 39.0 -86.2 -35.0 44.8 -11.8 11.4 84 84 A L H > S+ 0 0 18 -6,-0.2 4,-2.9 -3,-0.1 3,-0.3 0.880 103.0 67.9 -83.8 -38.2 44.1 -15.4 10.4 85 85 A K H X S+ 0 0 85 -4,-2.9 4,-3.1 -7,-0.5 5,-0.2 0.880 98.4 48.0 -53.4 -51.8 47.3 -16.3 8.5 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.882 115.6 46.0 -62.0 -34.7 49.8 -16.2 11.4 87 87 A V H >X S+ 0 0 9 -4,-0.5 4,-0.8 -3,-0.3 3,-0.6 0.954 113.5 48.5 -71.1 -47.2 47.5 -18.4 13.5 88 88 A Y H >< S+ 0 0 30 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.934 111.5 50.3 -54.3 -47.9 46.8 -20.8 10.7 89 89 A D H 3< S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.751 105.3 57.9 -64.4 -24.5 50.5 -21.1 9.9 90 90 A S H << S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.675 94.8 88.6 -76.5 -19.9 51.2 -21.8 13.6 91 91 A L S << S- 0 0 8 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.387 78.5-116.3 -82.7 155.6 48.9 -24.9 13.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.348 43.3 -94.4 -74.6 169.1 49.6 -28.5 12.7 93 93 A A H > S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.834 121.8 50.7 -60.6 -37.8 47.8 -30.0 9.7 94 94 A V H >> S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 3,-0.8 0.962 112.7 45.3 -67.9 -48.7 44.8 -31.5 11.6 95 95 A R H 3> S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.830 105.2 62.9 -65.2 -28.7 44.0 -28.3 13.4 96 96 A R H 3X S+ 0 0 78 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.872 100.1 54.6 -60.2 -33.4 44.4 -26.4 10.1 97 97 A C H 4 S+ 0 0 72 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.925 134.4 46.5 -63.5 -49.2 36.1 -14.6 7.1 109 109 A T G >4 S+ 0 0 135 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.794 104.2 68.6 -63.4 -25.2 34.1 -11.7 8.3 110 110 A G G 34 S+ 0 0 30 1,-0.2 3,-0.3 -4,-0.2 -1,-0.3 0.748 99.3 46.6 -63.1 -27.2 32.1 -14.3 10.2 111 111 A V G X< S+ 0 0 12 -3,-1.4 3,-1.8 -4,-0.6 -1,-0.2 0.223 75.9 111.1-104.1 15.9 35.1 -15.0 12.5 112 112 A A T < S+ 0 0 69 -3,-1.3 3,-0.5 1,-0.3 -1,-0.2 0.775 75.9 54.6 -60.3 -30.1 35.9 -11.3 13.3 113 113 A G T 3 S+ 0 0 73 -3,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.443 85.0 87.3 -83.1 1.2 34.7 -11.7 16.9 114 114 A F <> + 0 0 30 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.166 46.8 123.0 -91.4 21.9 37.1 -14.6 17.6 115 115 A T H > S+ 0 0 77 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.857 75.4 46.5 -48.0 -46.0 40.1 -12.5 18.6 116 116 A N H > S+ 0 0 76 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.899 113.1 48.3 -71.3 -38.4 40.5 -14.1 22.0 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.904 109.3 54.6 -63.6 -42.4 40.1 -17.7 20.6 118 118 A L H X S+ 0 0 33 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.901 107.7 49.5 -57.6 -43.3 42.7 -16.9 17.9 119 119 A R H X S+ 0 0 117 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.931 111.0 48.9 -62.9 -46.1 45.2 -15.8 20.6 120 120 A M H <>S+ 0 0 35 -4,-2.0 5,-2.4 1,-0.2 4,-0.4 0.872 110.2 51.9 -63.0 -39.9 44.7 -19.0 22.6 121 121 A L H ><5S+ 0 0 9 -4,-2.6 3,-1.3 2,-0.2 -1,-0.2 0.935 110.0 47.9 -60.9 -46.6 45.1 -21.1 19.5 122 122 A Q H 3<5S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.871 111.9 50.6 -62.5 -35.5 48.4 -19.4 18.6 123 123 A Q T 3<5S- 0 0 84 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.523 110.7-127.0 -74.2 -9.8 49.5 -19.9 22.2 124 124 A K T < 5 + 0 0 96 -3,-1.3 2,-1.4 -4,-0.4 -3,-0.2 0.812 58.4 149.1 60.8 32.7 48.6 -23.6 21.9 125 125 A R >< + 0 0 123 -5,-2.4 4,-2.7 1,-0.2 -1,-0.2 -0.675 21.9 175.7 -89.8 77.2 46.4 -23.3 25.1 126 126 A W H > + 0 0 49 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.850 67.4 43.9 -66.1 -43.4 44.1 -25.9 23.7 127 127 A D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 116.3 49.4 -68.5 -39.6 41.6 -26.5 26.5 128 128 A E H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 111.0 49.4 -63.0 -44.1 41.2 -22.7 27.0 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.923 109.4 52.5 -59.6 -44.5 40.7 -22.1 23.3 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.892 109.9 48.5 -61.3 -40.8 38.1 -24.9 23.2 131 131 A V H >< S+ 0 0 87 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.936 114.1 46.4 -62.5 -45.4 36.2 -23.2 26.1 132 132 A N H >< S+ 0 0 38 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.882 106.1 58.3 -67.1 -40.6 36.4 -19.8 24.4 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.788 101.5 56.8 -57.2 -31.7 35.3 -21.1 21.0 134 134 A A T << S+ 0 0 28 -4,-1.0 2,-1.7 -3,-0.5 -1,-0.2 0.579 83.8 83.9 -81.9 -11.2 32.0 -22.4 22.6 135 135 A K S < S+ 0 0 156 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.2 -0.512 81.5 98.5 -85.3 65.3 31.0 -19.0 23.9 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.992 85.5-118.5-154.1 152.7 29.5 -18.1 20.5 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.914 115.3 62.6 -55.4 -42.4 26.5 -17.8 18.4 138 138 A W H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.923 106.3 41.3 -47.9 -55.6 28.2 -20.4 16.2 139 139 A Y H 4 S+ 0 0 53 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.924 115.5 50.4 -63.2 -44.7 28.2 -23.0 18.9 140 140 A N H < S+ 0 0 109 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 116.0 40.6 -65.0 -35.5 24.6 -22.2 20.1 141 141 A Q H < S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.808 133.0 21.1 -85.2 -31.6 23.1 -22.4 16.6 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 -0.527 73.8 157.2-130.9 68.1 25.0 -25.5 15.4 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.857 69.5 53.9 -66.6 -37.9 26.2 -27.3 18.5 144 144 A N H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.936 117.1 38.1 -62.6 -44.5 26.7 -30.8 17.1 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 115.5 52.4 -72.2 -43.7 29.0 -29.5 14.4 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.901 105.9 55.6 -58.5 -41.0 30.7 -26.9 16.5 147 147 A K H X S+ 0 0 104 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 109.3 47.4 -58.5 -41.8 31.5 -29.6 19.1 148 148 A R H X S+ 0 0 68 -4,-1.4 4,-1.8 2,-0.2 12,-0.2 0.929 114.2 45.5 -63.4 -47.2 33.2 -31.7 16.4 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 113.9 49.3 -65.7 -43.6 35.2 -28.7 15.1 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.906 108.1 53.4 -62.3 -41.9 36.2 -27.7 18.7 151 151 A T H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 6,-0.4 0.885 107.8 52.2 -59.8 -37.3 37.3 -31.2 19.6 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.914 111.9 44.9 -64.7 -44.3 39.5 -31.2 16.5 153 153 A F H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 115.0 49.9 -62.4 -37.2 41.1 -27.8 17.7 154 154 A R H < S+ 0 0 104 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.898 126.5 20.5 -71.3 -38.0 41.4 -29.2 21.3 155 155 A T H < S- 0 0 39 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.662 83.7-133.2-108.2 -24.9 43.1 -32.5 20.4 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.766 74.9 106.9 64.6 25.0 44.7 -32.2 16.9 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.832 79.9-122.2-125.2 170.9 43.1 -35.6 16.2 158 158 A W >> + 0 0 60 -2,-0.3 3,-2.3 1,-0.2 4,-0.7 0.118 69.7 123.7 -95.8 19.3 40.2 -36.8 14.1 159 159 A D G >4 + 0 0 128 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.799 68.9 56.0 -55.2 -34.1 38.4 -38.4 17.1 160 160 A A G 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.603 108.4 49.1 -75.4 -10.6 35.2 -36.4 16.5 161 161 A Y G <4 0 0 4 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.439 360.0 360.0-111.9 -2.1 34.9 -37.7 13.0 162 162 A K << 0 0 220 -4,-0.7 -3,-0.1 -3,-0.6 -2,-0.1 0.365 360.0 360.0 40.4 360.0 35.4 -41.5 13.5