==== 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 17-SEP-07 2RB2 . 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) . 8845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 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 . 12 7.4 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 0 0 0 0 1 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 X M 0 0 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.0 42.8 -1.7 9.1 2 2 X N > - 0 0 70 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.914 360.0 -78.2-159.1 177.8 39.4 -0.7 10.6 3 3 X I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 127.0 52.1 -57.6 -37.3 37.4 2.5 11.1 4 4 X F H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 114.0 41.5 -65.1 -47.3 39.5 3.6 14.1 5 5 X E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.868 114.9 53.2 -66.9 -37.1 42.8 3.2 12.2 6 6 X M H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.944 112.6 41.6 -63.5 -52.0 41.3 4.8 9.1 7 7 X L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.835 109.2 59.8 -66.9 -31.7 40.0 7.9 10.8 8 8 X R H X S+ 0 0 105 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.900 109.2 44.9 -61.3 -38.9 43.2 8.2 12.8 9 9 X I H < S+ 0 0 78 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.942 117.8 42.9 -66.2 -47.0 45.0 8.4 9.5 10 10 X D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.816 125.4 32.3 -72.8 -31.0 42.6 10.9 8.0 11 11 X E H < S- 0 0 43 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.667 92.3-154.0 -99.5 -23.6 42.2 13.1 11.1 12 12 X G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.184 23.2 -87.9 74.0-172.3 45.6 12.9 12.7 13 13 X L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 44.8 166.0-141.4 118.6 46.3 13.4 16.4 14 14 X R E -A 28 0A 146 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 22.2-160.2-134.5 134.8 46.9 16.8 18.1 15 15 X L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.517 74.1 64.5 -95.6 -6.2 46.8 17.4 21.8 16 16 X K E S-C 57 0B 98 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.869 100.8 -86.7-114.3 148.9 46.4 21.2 21.7 17 17 X I E + 0 0 31 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.297 58.3 166.8 -53.5 132.5 43.3 23.0 20.3 18 18 X Y E -A 26 0A 29 8,-2.7 8,-3.1 -4,-0.1 2,-0.5 -0.893 38.0-102.0-140.2 168.4 43.8 23.6 16.5 19 19 X K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.852 34.6-136.3 -98.3 134.2 41.6 24.6 13.6 20 20 X D > - 0 0 43 4,-2.8 3,-2.0 -2,-0.5 -1,-0.1 0.026 42.9 -77.5 -73.4-173.2 40.4 21.9 11.3 21 21 X T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.708 134.9 50.3 -63.6 -19.4 40.3 22.2 7.5 22 22 X E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.366 123.0-104.0 -98.7 3.3 37.2 24.4 7.7 23 23 X G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.599 75.5 139.6 84.4 15.2 38.8 26.7 10.3 24 24 X Y - 0 0 79 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.748 61.4-100.1 -98.4 139.0 36.9 25.3 13.2 25 25 X Y E +A 19 0A 36 11,-0.4 8,-2.7 9,-0.4 9,-1.2 -0.324 55.3 160.8 -60.8 130.4 38.3 24.7 16.7 26 26 X T E -AB 18 32A 2 -8,-3.1 -8,-2.7 6,-0.3 2,-0.3 -0.890 19.3-168.6-147.7 157.9 39.1 21.0 17.1 27 27 X I E > + B 0 31A 0 4,-1.7 4,-2.6 -2,-0.3 2,-0.2 -0.977 52.0 2.7-149.4 161.4 41.3 18.8 19.3 28 28 X G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.9 -0.401 123.3 -6.0 75.8-132.0 42.5 15.2 19.5 29 29 X I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.689 129.4 -52.6-101.3 71.0 41.5 12.9 16.6 30 30 X G T 4 S+ 0 0 11 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.805 81.4 165.3 62.8 34.0 39.3 15.3 14.8 31 31 X H E < -B 27 0A 28 -4,-2.6 -4,-1.7 -20,-0.1 2,-0.3 -0.698 30.1-144.4 -83.4 102.4 37.1 16.1 17.7 32 32 X L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.491 17.6-174.5 -65.2 124.3 35.2 19.2 16.6 33 33 X L - 0 0 13 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.872 57.9 -37.0 -88.4 -43.8 34.7 21.5 19.6 34 34 X T - 0 0 35 -9,-1.2 -9,-0.4 2,-0.1 -1,-0.4 -0.948 35.8-127.5-173.3 156.4 32.5 24.2 18.1 35 35 X K S S+ 0 0 130 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.423 75.5 116.2 -93.2 -1.1 31.9 26.3 15.0 36 36 X S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.424 68.6-138.1 -64.1 136.8 32.2 29.5 17.0 37 37 X P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.478 76.2 105.8 -73.3 0.6 35.1 31.8 16.2 38 38 X S > - 0 0 51 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.726 56.2-163.5 -88.3 116.7 35.6 32.2 19.9 39 39 X L H > S+ 0 0 68 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.872 93.7 55.5 -63.1 -38.0 38.6 30.4 21.4 40 40 X N H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 106.3 51.4 -59.7 -40.4 37.2 30.8 24.9 41 41 X A H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.0 49.5 -63.3 -39.8 34.0 29.2 23.7 42 42 X A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.910 108.4 52.6 -64.7 -42.9 36.0 26.3 22.3 43 43 X K H X S+ 0 0 62 -4,-2.6 4,-2.4 2,-0.2 11,-0.3 0.855 108.7 50.8 -60.9 -37.8 37.9 25.9 25.6 44 44 X S H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.942 110.0 49.2 -64.7 -48.2 34.6 25.7 27.5 45 45 X E H X S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.899 111.6 50.9 -57.1 -40.1 33.4 23.0 25.1 46 46 X L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.947 110.0 47.6 -63.0 -48.7 36.7 21.2 25.7 47 47 X D H X>S+ 0 0 38 -4,-2.4 4,-2.4 1,-0.2 5,-1.0 0.880 112.8 50.3 -60.4 -38.7 36.4 21.3 29.5 48 48 X K H <5S+ 0 0 143 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.890 112.2 47.0 -64.8 -40.4 32.8 20.1 29.3 49 49 X A H <5S+ 0 0 40 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.862 120.8 36.4 -71.2 -36.4 33.8 17.2 27.0 50 50 X I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.761 101.5-127.4 -89.2 -30.0 36.7 16.1 29.2 51 51 X G T <5S+ 0 0 69 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.785 76.8 69.4 83.1 29.6 35.3 16.9 32.6 52 52 X R S - 0 0 8 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.658 32.5-141.5 -90.6 -22.8 42.1 21.5 30.5 55 55 X N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.772 74.3 -57.3 57.2 28.3 43.4 25.0 29.6 56 56 X G T 3 S+ 0 0 6 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.581 118.1 100.4 85.0 11.4 43.2 23.8 25.9 57 57 X V B < +C 16 0B 72 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.993 43.7 177.1-131.6 135.0 45.5 20.8 26.3 58 58 X I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.826 27.0-108.2-129.3 170.4 44.6 17.1 26.7 59 59 X T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.503 32.6-107.9 -91.8 165.0 46.4 13.7 26.9 60 60 X K H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 121.5 52.6 -56.8 -44.4 46.6 11.0 24.3 61 61 X D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 109.9 48.5 -58.3 -43.1 44.2 8.8 26.4 62 62 X E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 110.7 50.9 -64.6 -42.4 41.7 11.7 26.6 63 63 X A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.922 111.3 48.1 -58.8 -44.0 42.0 12.2 22.8 64 64 X E H X S+ 0 0 85 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.860 108.2 55.1 -69.0 -32.0 41.3 8.5 22.3 65 65 X K H X S+ 0 0 138 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.942 110.6 44.2 -64.2 -48.1 38.3 8.6 24.7 66 66 X L H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.895 112.2 54.9 -61.4 -40.0 36.6 11.4 22.7 67 67 X F H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.924 106.7 48.5 -61.9 -45.2 37.5 9.6 19.5 68 68 X N H X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.900 113.4 48.4 -63.1 -40.2 35.8 6.4 20.6 69 69 X Q H X S+ 0 0 97 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.918 112.1 49.0 -62.5 -42.2 32.7 8.4 21.6 70 70 X D H X S+ 0 0 37 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.886 113.0 46.0 -68.4 -41.2 32.7 10.3 18.3 71 71 X V H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.950 114.7 47.7 -64.2 -49.4 33.0 7.1 16.2 72 72 X D H X S+ 0 0 88 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.931 112.7 48.9 -57.4 -47.5 30.3 5.3 18.3 73 73 X A H X S+ 0 0 56 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.857 108.1 54.6 -63.4 -34.9 28.0 8.4 18.0 74 74 X A H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.940 111.6 44.2 -64.3 -48.0 28.5 8.6 14.2 75 75 X V H X S+ 0 0 31 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.949 112.9 50.5 -58.1 -52.0 27.4 5.0 13.8 76 76 X R H X S+ 0 0 151 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.867 110.4 51.7 -58.6 -37.5 24.4 5.3 16.2 77 77 X G H >X S+ 0 0 1 -4,-2.3 3,-1.0 2,-0.2 4,-0.8 0.936 105.8 53.0 -61.9 -49.4 23.3 8.4 14.3 78 78 X I H >< S+ 0 0 4 -4,-2.2 3,-1.2 1,-0.3 7,-0.5 0.913 108.2 51.5 -52.1 -45.9 23.5 6.6 10.9 79 79 X L H 3< S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.713 109.1 51.2 -66.3 -22.3 21.3 3.9 12.3 80 80 X R H << S+ 0 0 187 -3,-1.0 2,-0.7 -4,-0.8 -1,-0.3 0.506 92.1 89.3 -90.2 -10.5 18.8 6.5 13.5 81 81 X N S+ 0 0 89 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.848 119.7 36.2 -79.1 -38.5 17.8 7.8 4.7 84 84 X L H > S+ 0 0 16 -3,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.845 102.4 69.1 -88.0 -36.7 21.2 6.5 5.7 85 85 X K H X S+ 0 0 88 -4,-3.1 4,-3.1 -7,-0.5 5,-0.3 0.903 97.6 50.6 -52.8 -51.3 20.3 3.3 7.6 86 86 X P H > S+ 0 0 61 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.904 114.2 44.7 -59.1 -39.6 19.2 1.2 4.6 87 87 X V H X S+ 0 0 12 -4,-0.5 4,-0.8 2,-0.2 3,-0.4 0.950 114.4 48.9 -66.9 -47.2 22.3 2.1 2.6 88 88 X Y H >< S+ 0 0 32 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.939 111.2 49.4 -55.1 -48.7 24.6 1.4 5.6 89 89 X D H 3< S+ 0 0 66 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.778 105.9 58.4 -64.8 -25.4 22.9 -1.9 6.3 90 90 X S H 3< S+ 0 0 33 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.655 95.6 87.0 -75.5 -17.7 23.2 -2.9 2.6 91 91 X L S << S- 0 0 8 -3,-1.4 2,-0.1 -4,-0.8 31,-0.0 -0.459 78.7-115.9 -88.5 154.7 27.0 -2.5 2.7 92 92 X D > - 0 0 53 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.360 44.0 -97.1 -70.3 165.5 29.9 -4.9 3.6 93 93 X A H > S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.796 121.2 53.5 -61.4 -34.2 32.0 -3.9 6.7 94 94 X V H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.947 112.6 43.4 -67.6 -47.6 34.8 -2.2 4.7 95 95 X R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.835 107.5 61.1 -67.5 -30.9 32.4 0.1 2.9 96 96 X R H X S+ 0 0 79 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.883 101.8 53.8 -58.0 -37.8 30.5 0.7 6.1 97 97 X A H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.905 105.5 52.1 -64.3 -41.1 33.8 2.2 7.4 98 98 X A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.905 109.9 50.2 -58.8 -40.6 33.9 4.5 4.4 99 99 X A H X S+ 0 0 16 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 110.2 48.5 -63.2 -46.7 30.4 5.6 5.3 100 100 X I H X S+ 0 0 9 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.894 108.0 56.7 -60.0 -40.3 31.3 6.3 8.9 101 101 X N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.944 108.2 46.2 -57.4 -48.7 34.3 8.2 7.8 102 102 X M H X S+ 0 0 10 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.904 113.9 47.2 -63.0 -42.2 32.2 10.6 5.7 103 103 X V H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.899 109.8 54.1 -69.6 -37.5 29.6 11.1 8.4 104 104 X F H < S+ 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.933 115.9 40.4 -55.4 -46.3 32.4 11.7 11.0 105 105 X Q H < S+ 0 0 48 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.903 134.0 15.6 -72.2 -43.2 33.8 14.4 8.7 106 106 X M H X S- 0 0 43 -4,-2.7 4,-0.8 -5,-0.2 -3,-0.2 0.556 95.4-131.0-112.8 -14.3 30.7 16.2 7.5 107 107 X G H X - 0 0 27 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.1 0.042 41.8 -69.4 76.8 169.4 27.9 15.1 9.8 108 108 X E H 4 S+ 0 0 65 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.871 137.7 50.6 -62.1 -37.7 24.5 13.8 8.7 109 109 X T H >4 S+ 0 0 124 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.865 103.6 60.6 -68.4 -34.7 23.5 17.3 7.4 110 110 X G H 3< S+ 0 0 33 -4,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.741 107.0 45.2 -62.5 -27.6 26.8 17.4 5.5 111 111 X V T >< S+ 0 0 12 -4,-0.9 3,-1.8 -3,-0.5 -1,-0.3 0.291 80.2 104.6 -99.7 9.4 25.8 14.3 3.5 112 112 X A G X S+ 0 0 68 -3,-1.5 3,-0.6 1,-0.3 -1,-0.2 0.811 79.6 53.1 -58.8 -32.3 22.2 15.5 2.8 113 113 X G G 3 S+ 0 0 70 -3,-0.3 3,-0.5 -4,-0.3 -1,-0.3 0.468 87.1 84.6 -82.9 0.5 23.1 16.3 -0.9 114 114 X F G <> + 0 0 28 -3,-1.8 4,-2.9 1,-0.2 3,-0.3 0.224 49.8 121.3 -90.1 16.6 24.6 12.8 -1.5 115 115 X T H <> S+ 0 0 89 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.847 75.4 46.7 -45.4 -46.2 21.2 11.3 -2.3 116 116 X N H > S+ 0 0 78 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.891 112.8 48.6 -71.3 -37.4 22.3 10.1 -5.8 117 117 X S H > S+ 0 0 4 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.906 109.7 54.0 -63.4 -43.3 25.6 8.7 -4.5 118 118 X L H X S+ 0 0 34 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.902 107.3 50.0 -57.5 -45.3 23.6 6.8 -1.8 119 119 X R H X S+ 0 0 115 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.932 110.6 49.7 -60.2 -46.4 21.3 5.3 -4.4 120 120 X M H <>S+ 0 0 31 -4,-2.0 5,-2.7 1,-0.2 4,-0.3 0.885 111.0 49.5 -61.9 -38.9 24.3 4.1 -6.5 121 121 X L H ><5S+ 0 0 6 -4,-2.5 3,-1.3 2,-0.2 -1,-0.2 0.923 110.0 50.3 -63.8 -44.4 25.9 2.6 -3.4 122 122 X Q H 3<5S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.871 111.4 49.6 -59.0 -37.4 22.7 0.8 -2.5 123 123 X Q T 3<5S- 0 0 78 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.499 111.4-125.9 -77.1 -7.4 22.6 -0.5 -6.1 124 124 X K T < 5 + 0 0 97 -3,-1.3 2,-1.4 -4,-0.3 -3,-0.2 0.817 59.6 148.6 59.4 34.0 26.2 -1.6 -5.7 125 125 X R >< + 0 0 122 -5,-2.7 4,-2.9 1,-0.2 5,-0.2 -0.668 21.4 174.7 -92.0 77.9 27.1 0.4 -8.8 126 126 X W H > + 0 0 51 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.844 67.3 44.1 -67.4 -43.2 30.6 1.0 -7.5 127 127 X D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 116.9 47.8 -68.8 -39.7 32.4 2.8 -10.3 128 128 X E H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 111.5 50.5 -64.3 -42.9 29.3 5.0 -10.9 129 129 X A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.921 108.9 52.7 -58.7 -44.7 29.0 5.8 -7.2 130 130 X A H X S+ 0 0 11 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.903 110.1 47.1 -60.3 -43.2 32.7 6.7 -7.1 131 131 X V H < S+ 0 0 101 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.921 114.0 48.0 -61.8 -44.9 32.3 9.1 -10.0 132 132 X N H >< S+ 0 0 31 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.889 105.2 58.7 -66.3 -38.5 29.2 10.7 -8.4 133 133 X L H 3< S+ 0 0 3 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.832 100.7 56.9 -59.2 -33.6 30.9 11.0 -5.0 134 134 X A T 3< S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.3 0.605 83.7 83.8 -77.4 -12.2 33.7 13.2 -6.5 135 135 X K S < S+ 0 0 129 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 -0.479 81.2 99.1 -85.9 65.7 31.2 15.8 -7.9 136 136 X S S > S- 0 0 16 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.990 85.6-118.4-152.6 153.3 31.1 17.5 -4.5 137 137 X R H > S+ 0 0 142 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.919 115.3 62.2 -54.8 -45.6 32.4 20.3 -2.4 138 138 X W H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.920 105.4 43.0 -45.5 -54.3 33.8 17.6 -0.2 139 139 X Y H 4 S+ 0 0 53 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.9 49.6 -63.8 -43.2 36.1 16.2 -2.9 140 140 X N H < S+ 0 0 112 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.7 40.2 -67.0 -36.8 37.2 19.7 -4.1 141 141 X Q H < S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 133.8 20.7 -82.8 -35.3 38.1 20.9 -0.6 142 142 X T S X S+ 0 0 20 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.545 74.2 157.4-129.4 68.6 39.7 17.7 0.7 143 143 X P H > S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.855 70.1 52.7 -67.6 -36.2 40.6 15.7 -2.4 144 144 X N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.950 116.0 40.2 -67.6 -43.3 43.3 13.5 -1.0 145 145 X R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 115.5 51.8 -66.0 -44.9 41.1 12.3 1.8 146 146 X A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.910 106.6 54.3 -60.7 -42.0 38.1 12.0 -0.5 147 147 X K H X S+ 0 0 103 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.902 109.9 47.8 -57.1 -41.2 40.1 10.0 -3.0 148 148 X R H X S+ 0 0 69 -4,-1.6 4,-1.7 2,-0.2 12,-0.2 0.928 114.7 44.4 -64.6 -46.8 41.0 7.5 -0.2 149 149 X V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.923 114.3 49.8 -65.5 -43.7 37.4 7.2 1.0 150 150 X I H X S+ 0 0 15 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.909 108.1 52.7 -62.7 -42.0 36.1 6.9 -2.6 151 151 X T H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.2 6,-0.4 0.880 107.5 53.8 -58.7 -37.0 38.6 4.2 -3.4 152 152 X T H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.914 111.8 43.5 -65.9 -44.4 37.3 2.3 -0.3 153 153 X F H < S+ 0 0 5 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.847 115.3 50.3 -63.8 -37.8 33.7 2.6 -1.6 154 154 X R H < S+ 0 0 110 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.922 126.0 21.9 -68.1 -41.8 34.8 1.6 -5.2 155 155 X T H < S- 0 0 38 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.665 85.3-134.1-104.3 -23.5 36.8 -1.5 -4.2 156 156 X G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.742 74.3 106.8 65.6 22.0 35.6 -2.7 -0.8 157 157 X T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.788 79.5-123.2-122.2 172.2 39.3 -3.0 0.1 158 158 X W S > S+ 0 0 51 -2,-0.3 3,-2.1 1,-0.2 4,-0.4 0.095 70.5 121.9 -98.5 19.6 41.7 -1.1 2.3 159 159 X D G > + 0 0 119 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.826 67.8 58.5 -56.1 -36.0 44.1 -0.4 -0.5 160 160 X A G 3 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.633 110.7 42.3 -70.5 -13.9 44.0 3.4 -0.2 161 161 X Y G < 0 0 4 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.322 360.0 360.0-112.2 9.1 45.2 3.1 3.5 162 162 X K < 0 0 201 -3,-1.2 -1,-0.3 -4,-0.4 -4,-0.1 -0.665 360.0 360.0 62.8 360.0 47.9 0.5 2.9