==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 27-JAN-12 3VOK . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR H.SAWAI,H.SUGIMOTO,Y.SHIRO,S.AONO . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 69.9 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 . 0 0.0 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 . 0 0.0 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 1 1 1 0 1 1 0 0 0 1 2 0 1 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A P 0 0 41 0, 0.0 51,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 163.5 40.0 42.5 -1.0 2 3 A K >> - 0 0 71 49,-2.6 3,-2.0 1,-0.1 4,-1.3 -0.448 360.0-108.5 -81.9 156.5 43.7 43.4 -0.3 3 4 A S H 3> S+ 0 0 89 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.878 119.6 61.1 -49.1 -41.8 45.6 42.7 2.9 4 5 A T H 34 S+ 0 0 61 46,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.742 98.2 58.6 -63.5 -22.7 45.5 46.4 3.8 5 6 A Y H X4 S+ 0 0 6 -3,-2.0 3,-1.4 45,-0.3 -1,-0.2 0.951 108.3 44.2 -65.2 -49.8 41.7 46.1 3.8 6 7 A F H 3< S+ 0 0 103 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.712 105.1 63.3 -69.3 -20.6 41.8 43.5 6.5 7 8 A S T 3< S+ 0 0 99 -4,-1.5 -1,-0.3 6,-0.0 -2,-0.2 0.506 80.9 113.2 -83.2 -4.8 44.5 45.4 8.5 8 9 A L S < S- 0 0 26 -3,-1.4 -3,-0.0 -4,-0.2 6,-0.0 -0.302 80.5 -96.6 -62.1 149.7 42.0 48.3 9.0 9 10 A S > - 0 0 69 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.276 37.9-107.9 -58.2 152.4 40.7 49.0 12.5 10 11 A D H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.905 121.3 51.3 -50.5 -42.6 37.4 47.4 13.3 11 12 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.946 114.1 39.4 -60.7 -53.4 35.8 50.8 13.1 12 13 A K H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.861 114.3 53.4 -68.9 -37.7 37.3 51.8 9.7 13 14 A R H X S+ 0 0 61 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.889 109.8 48.9 -66.0 -40.1 36.8 48.4 8.1 14 15 A N H X S+ 0 0 85 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.880 110.7 50.2 -67.1 -38.9 33.1 48.4 9.1 15 16 A R H X S+ 0 0 99 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.926 113.8 45.5 -61.1 -44.6 32.7 51.9 7.6 16 17 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.949 115.8 45.6 -65.5 -49.5 34.3 50.9 4.3 17 18 A Y H X S+ 0 0 26 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.930 110.3 52.3 -58.7 -50.5 32.4 47.6 4.1 18 19 A D H X S+ 0 0 85 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.827 108.9 52.9 -57.6 -32.5 29.0 49.2 5.0 19 20 A A H X S+ 0 0 13 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.898 110.3 45.4 -69.2 -43.5 29.6 51.8 2.2 20 21 A C H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.947 113.7 51.0 -62.3 -45.2 30.3 49.1 -0.4 21 22 A L H X S+ 0 0 26 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.920 109.8 50.1 -59.4 -43.5 27.2 47.2 0.9 22 23 A N H X S+ 0 0 86 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.900 108.6 51.4 -63.3 -43.1 25.1 50.3 0.6 23 24 A E H X S+ 0 0 11 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.912 112.4 46.4 -58.8 -43.8 26.2 51.0 -3.0 24 25 A F H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.695 105.2 59.2 -78.8 -17.0 25.4 47.5 -4.1 25 26 A Q H < S+ 0 0 63 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.789 119.1 31.9 -72.4 -28.8 22.0 47.5 -2.3 26 27 A T H < S+ 0 0 65 -4,-1.1 2,-0.4 -3,-0.4 -2,-0.2 0.476 120.0 49.9-105.2 -5.5 21.2 50.5 -4.5 27 28 A H < - 0 0 42 -4,-0.9 -1,-0.1 -5,-0.1 82,-0.1 -0.995 69.9-128.3-141.9 135.5 23.1 49.8 -7.7 28 29 A S > - 0 0 4 -2,-0.4 4,-2.2 1,-0.1 3,-0.4 -0.282 48.4 -98.4 -63.9 161.3 23.6 46.9 -10.2 29 30 A F T 4 S+ 0 0 22 84,-0.4 -1,-0.1 1,-0.2 85,-0.1 0.884 127.8 50.2 -52.5 -38.9 27.3 46.2 -10.7 30 31 A H T 4 S+ 0 0 96 1,-0.2 -1,-0.2 83,-0.1 -3,-0.0 0.809 113.5 43.4 -72.6 -29.6 27.1 48.2 -13.9 31 32 A E T 4 S+ 0 0 103 -3,-0.4 -1,-0.2 -7,-0.0 -2,-0.2 0.693 94.9 99.6 -83.2 -22.1 25.5 51.2 -12.2 32 33 A A < - 0 0 1 -4,-2.2 2,-0.4 -8,-0.1 3,-0.1 -0.355 55.9-165.8 -69.0 144.0 27.8 51.0 -9.2 33 34 A K > - 0 0 106 1,-0.1 4,-1.4 -2,-0.1 3,-0.5 -0.992 30.2-141.6-136.2 139.3 30.7 53.4 -9.1 34 35 A I H > S+ 0 0 16 -2,-0.4 4,-2.3 1,-0.2 5,-0.3 0.905 106.4 61.5 -56.5 -41.3 33.9 53.7 -7.0 35 36 A M H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.862 101.3 53.8 -56.4 -37.1 33.5 57.4 -7.0 36 37 A H H > S+ 0 0 74 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.931 108.6 46.9 -60.5 -50.4 30.1 56.9 -5.2 37 38 A I H X S+ 0 0 3 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.915 113.2 47.3 -62.7 -45.2 31.6 54.8 -2.4 38 39 A V H X>S+ 0 0 8 -4,-2.3 5,-1.9 1,-0.2 4,-0.8 0.849 110.1 53.2 -69.3 -31.6 34.6 57.1 -1.7 39 40 A K H <5S+ 0 0 155 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.841 108.9 50.0 -68.7 -32.8 32.4 60.2 -1.7 40 41 A A H <5S+ 0 0 76 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.2 40.9 -72.9 -36.6 30.1 58.6 0.9 41 42 A L H <5S- 0 0 10 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.569 104.3-134.0 -81.6 -13.4 33.1 57.7 3.1 42 43 A D T <5 + 0 0 147 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.949 60.4 131.1 48.9 53.7 34.7 61.1 2.4 43 44 A I < - 0 0 29 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.909 65.6 -86.1-124.2 159.0 38.1 59.5 1.8 44 45 A P >> - 0 0 90 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.310 34.6-120.1 -65.3 147.9 40.5 60.0 -1.2 45 46 A R H >> S+ 0 0 110 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.867 110.5 64.1 -56.6 -41.4 39.9 57.9 -4.3 46 47 A G H 3> S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.786 92.8 64.6 -52.4 -32.2 43.4 56.3 -4.0 47 48 A S H X> S+ 0 0 19 -3,-1.4 4,-1.4 1,-0.2 3,-0.8 0.853 92.7 60.0 -62.8 -37.4 42.3 54.7 -0.7 48 49 A F H XX S+ 0 0 4 -3,-1.0 4,-2.3 -4,-0.7 3,-0.6 0.930 103.8 51.5 -56.0 -42.9 39.7 52.5 -2.4 49 50 A Y H 3< S+ 0 0 86 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.653 103.1 58.6 -73.2 -14.8 42.4 51.0 -4.5 50 51 A Q H << S+ 0 0 114 -3,-0.8 -46,-0.3 -4,-0.6 -45,-0.3 0.811 114.0 38.4 -75.8 -33.3 44.5 50.2 -1.4 51 52 A Y H << S+ 0 0 27 -4,-1.4 -49,-2.6 -3,-0.6 2,-0.3 0.774 125.8 26.0 -84.9 -31.7 41.5 48.2 -0.1 52 53 A F < - 0 0 2 -4,-2.3 -1,-0.2 -51,-0.2 3,-0.1 -0.973 63.2-132.1-137.8 149.6 40.4 46.6 -3.4 53 54 A E S S- 0 0 119 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.951 87.0 -44.3 -56.1 -53.2 41.8 45.5 -6.7 54 55 A D S > S- 0 0 64 -3,-0.1 4,-1.4 -6,-0.1 3,-0.2 -0.867 75.5 -67.3-162.7-172.6 38.8 47.2 -8.5 55 56 A L H > S+ 0 0 23 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 128.1 57.3 -59.0 -41.0 35.0 47.5 -8.2 56 57 A K H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.878 101.2 56.9 -61.1 -38.7 34.5 43.8 -9.0 57 58 A D H > S+ 0 0 30 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 111.7 41.7 -54.6 -51.3 36.8 42.9 -6.1 58 59 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.860 114.4 52.6 -66.2 -38.6 34.5 44.8 -3.7 59 60 A Y H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.949 111.7 44.1 -62.4 -50.6 31.3 43.5 -5.4 60 61 A F H X S+ 0 0 11 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.844 111.7 55.0 -66.1 -33.8 32.3 39.9 -5.2 61 62 A Y H X S+ 0 0 40 -4,-2.0 4,-2.2 -5,-0.3 5,-0.2 0.978 110.0 45.1 -62.8 -52.7 33.4 40.3 -1.6 62 63 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.904 114.9 49.1 -56.4 -44.1 30.1 41.7 -0.6 63 64 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.923 110.6 49.1 -61.0 -44.6 28.3 39.0 -2.5 64 65 A S H < S+ 0 0 50 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.5 42.9 -66.7 -30.2 30.4 36.3 -0.9 65 66 A Q H < S+ 0 0 111 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.882 124.5 30.8 -79.6 -42.7 29.7 37.8 2.5 66 67 A E H < S+ 0 0 52 -4,-2.9 2,-0.2 -5,-0.2 -3,-0.2 0.737 111.4 53.3 -90.5 -25.3 26.0 38.5 2.1 67 68 A T < - 0 0 11 -4,-2.4 2,-0.3 -5,-0.3 31,-0.0 -0.685 59.4-139.8-122.1 164.3 24.5 35.9 -0.2 68 69 A L - 0 0 82 -2,-0.2 2,-0.7 29,-0.0 3,-0.1 -0.775 29.3-110.4-114.0 159.7 24.2 32.2 -0.8 69 70 A E >> - 0 0 49 -2,-0.3 4,-1.5 1,-0.1 3,-0.7 -0.839 19.0-150.1 -90.8 118.4 24.4 30.2 -4.0 70 71 A I H 3> S+ 0 0 25 -2,-0.7 4,-1.6 1,-0.3 5,-0.2 0.795 95.7 66.1 -62.4 -24.6 20.9 28.8 -4.8 71 72 A H H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.959 103.6 46.0 -53.3 -49.9 22.6 25.8 -6.5 72 73 A D H <> S+ 0 0 76 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.833 104.4 60.0 -66.9 -37.2 24.0 24.8 -3.1 73 74 A L H X S+ 0 0 20 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.901 111.6 42.2 -56.2 -39.5 20.6 25.3 -1.3 74 75 A F H X S+ 0 0 15 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.945 114.1 46.5 -76.3 -47.6 19.2 22.7 -3.7 75 76 A F H X S+ 0 0 65 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.838 108.2 57.9 -69.5 -28.9 21.9 20.1 -3.7 76 77 A N H X S+ 0 0 81 -4,-2.4 4,-0.5 -5,-0.2 3,-0.4 0.901 106.5 49.8 -62.2 -38.6 22.2 20.3 0.0 77 78 A L H >X S+ 0 0 24 -4,-1.2 3,-1.3 -5,-0.2 4,-0.8 0.892 104.9 58.6 -62.0 -39.5 18.5 19.3 0.2 78 79 A L H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.742 94.8 63.1 -65.6 -25.9 19.1 16.4 -2.2 79 80 A K H 3< S+ 0 0 166 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.786 118.7 27.1 -64.8 -30.7 21.6 14.9 0.2 80 81 A D H << S+ 0 0 139 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.392 121.8 37.6-109.0 -3.4 18.8 14.5 2.7 81 82 A N S < S- 0 0 37 -4,-0.8 -1,-0.1 -3,-0.2 0, 0.0 -0.972 82.8 -89.9-151.3 156.2 15.5 14.1 0.7 82 83 A S > - 0 0 62 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.189 47.6-104.5 -63.4 162.9 14.0 12.6 -2.4 83 84 A I H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 123.1 48.5 -55.7 -44.2 14.0 14.8 -5.6 84 85 A E H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.921 113.9 44.3 -64.4 -45.4 10.3 15.5 -5.2 85 86 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.893 112.2 53.6 -67.1 -38.4 10.6 16.4 -1.5 86 87 A S H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.929 109.4 48.0 -60.0 -44.1 13.7 18.5 -2.2 87 88 A L H X S+ 0 0 7 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.894 110.5 52.6 -66.2 -35.5 11.8 20.4 -4.9 88 89 A D H X S+ 0 0 66 -4,-2.1 4,-0.7 1,-0.2 3,-0.3 0.959 115.5 38.7 -62.7 -48.8 8.9 20.9 -2.5 89 90 A K H X S+ 0 0 88 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.829 107.2 68.5 -68.5 -32.9 11.1 22.4 0.3 90 91 A Y H X S+ 0 0 8 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.868 91.5 55.7 -62.1 -43.4 13.2 24.3 -2.2 91 92 A K H X S+ 0 0 10 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.913 111.1 45.7 -58.2 -40.8 10.6 26.8 -3.3 92 93 A Y H X S+ 0 0 111 -4,-0.7 4,-2.3 -3,-0.3 -1,-0.2 0.898 112.2 51.0 -69.7 -39.5 10.1 27.9 0.4 93 94 A L H X S+ 0 0 44 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.891 108.4 52.6 -61.7 -43.8 13.8 28.1 1.0 94 95 A L H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.4 0.940 111.4 46.1 -54.9 -49.4 14.3 30.3 -2.1 95 96 A L H X>S+ 0 0 4 -4,-2.0 5,-2.2 1,-0.2 4,-1.9 0.915 109.0 55.0 -63.2 -43.2 11.7 32.7 -0.9 96 97 A E H <5S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 119.5 33.4 -56.5 -38.3 13.1 32.8 2.7 97 98 A N H <5S+ 0 0 24 -4,-1.8 6,-0.3 -5,-0.1 -2,-0.2 0.875 125.4 36.7 -84.5 -43.1 16.5 33.8 1.3 98 99 A L H <5S+ 0 0 1 -4,-3.2 -3,-0.2 -5,-0.2 9,-0.2 0.839 132.1 15.2 -82.4 -38.3 15.7 35.9 -1.8 99 100 A I T <5S+ 0 0 44 -4,-1.9 5,-0.2 -5,-0.4 -3,-0.2 0.857 121.7 50.6-104.7 -56.9 12.6 37.9 -0.7 100 101 A D S S- 0 0 22 -6,-0.2 3,-1.2 -4,-0.2 -4,-0.1 -0.748 87.0-114.1-118.4 163.6 15.7 38.7 3.9 102 103 A P T 3 S+ 0 0 107 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.531 111.3 69.5 -66.5 -11.8 17.8 42.0 4.1 103 104 A Q T 3> + 0 0 41 -6,-0.3 4,-2.3 1,-0.2 3,-0.3 0.296 64.3 113.5 -89.3 6.5 19.7 40.7 1.0 104 105 A Y H <> S+ 0 0 62 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.886 76.9 45.1 -46.0 -50.0 16.7 41.2 -1.2 105 106 A K H > S+ 0 0 65 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.867 110.4 54.4 -69.6 -35.2 18.3 44.0 -3.3 106 107 A L H > S+ 0 0 3 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.910 111.5 44.3 -60.4 -44.9 21.6 42.1 -3.6 107 108 A Y H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.879 108.1 59.8 -68.7 -38.6 19.9 39.1 -5.1 108 109 A K H X S+ 0 0 48 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.950 109.8 40.2 -54.9 -52.3 17.7 41.2 -7.3 109 110 A Y H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.831 111.3 58.6 -69.0 -31.4 20.7 42.7 -9.2 110 111 A R H < S+ 0 0 27 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.816 116.9 33.6 -64.9 -35.8 22.5 39.4 -9.2 111 112 A F H < S+ 0 0 12 -4,-2.0 3,-0.3 -3,-0.3 -2,-0.2 0.851 125.8 39.0 -85.1 -42.7 19.6 37.9 -11.1 112 113 A L H < S+ 0 0 40 -4,-3.0 2,-0.5 -5,-0.3 -3,-0.2 0.831 125.0 34.4 -82.1 -35.7 18.5 40.8 -13.2 113 114 A D S < S+ 0 0 65 -4,-2.2 -84,-0.4 -5,-0.3 2,-0.3 -0.761 78.8 121.7-124.3 98.1 21.9 42.2 -14.0 114 115 A W - 0 0 42 -2,-0.5 2,-0.3 -3,-0.3 -4,-0.0 -0.986 34.4-169.7-150.1 138.3 24.6 39.6 -14.5 115 116 A T > - 0 0 51 -2,-0.3 4,-2.8 1,-0.0 3,-0.4 -0.834 42.6-100.2-128.4 164.5 26.6 39.1 -17.6 116 117 A Y H > S+ 0 0 169 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.796 120.6 66.3 -52.6 -29.4 29.0 36.4 -18.8 117 118 A E H > S+ 0 0 77 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.969 108.7 35.2 -56.9 -55.2 31.8 38.8 -17.6 118 119 A L H > S+ 0 0 1 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.920 116.3 56.1 -64.9 -44.1 30.7 38.4 -14.0 119 120 A E H < S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 105.2 52.0 -55.7 -45.6 29.8 34.7 -14.5 120 121 A R H < S+ 0 0 135 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.915 117.9 35.9 -56.9 -47.7 33.3 33.9 -15.8 121 122 A D H < S+ 0 0 61 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.714 94.9 102.8 -82.8 -21.2 35.1 35.5 -12.9 122 123 A W < 0 0 30 -4,-2.4 -4,-0.0 -5,-0.2 -62,-0.0 -0.413 360.0 360.0 -71.6 135.8 32.6 34.5 -10.2 123 124 A K 0 0 162 -2,-0.1 -1,-0.1 -63,-0.0 -3,-0.1 -0.409 360.0 360.0-103.9 360.0 33.6 31.6 -7.9 124 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 125 137 A D 0 0 182 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 22.7 27.5 19.0 -15.6 126 138 A N > - 0 0 68 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.833 360.0-110.3-122.4 161.4 24.5 16.7 -16.2 127 139 A P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.834 115.3 54.8 -57.4 -36.6 21.2 17.2 -18.0 128 140 A I H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.938 110.6 44.7 -65.8 -46.9 19.1 17.1 -14.8 129 141 A S H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 114.1 49.1 -61.2 -46.3 21.2 19.9 -13.2 130 142 A Q H X S+ 0 0 86 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.882 113.1 47.3 -65.0 -41.7 21.2 22.1 -16.3 131 143 A V H X S+ 0 0 71 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.964 115.2 43.2 -65.8 -50.3 17.4 21.8 -16.8 132 144 A L H X S+ 0 0 20 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.922 113.6 53.1 -60.5 -43.2 16.5 22.5 -13.1 133 145 A K H X S+ 0 0 108 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.940 110.7 47.3 -57.0 -48.6 19.0 25.3 -13.0 134 146 A S H X S+ 0 0 68 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.911 115.3 43.6 -57.8 -49.1 17.5 26.9 -16.1 135 147 A V H X S+ 0 0 30 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.896 116.7 45.6 -68.6 -42.0 13.9 26.7 -15.0 136 148 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.917 111.7 52.1 -68.8 -44.0 14.6 27.8 -11.4 137 149 A H H X S+ 0 0 79 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.912 110.3 49.3 -57.6 -42.1 16.8 30.7 -12.6 138 150 A N H X S+ 0 0 77 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.877 109.7 50.6 -66.6 -38.4 14.0 31.8 -14.9 139 151 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.917 113.1 46.3 -62.6 -43.8 11.3 31.6 -12.1 140 152 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.885 108.8 55.7 -67.9 -40.4 13.6 33.7 -9.9 141 153 A Y H X S+ 0 0 99 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.935 112.3 42.6 -55.4 -48.9 14.3 36.2 -12.7 142 154 A R H X S+ 0 0 42 -4,-2.2 4,-2.5 2,-0.2 6,-0.4 0.859 106.6 62.0 -66.3 -37.3 10.5 36.7 -13.1 143 155 A L H <>S+ 0 0 4 -4,-2.3 5,-1.3 -5,-0.2 4,-0.2 0.940 115.9 32.8 -53.4 -46.6 10.0 36.9 -9.3 144 156 A F H ><5S+ 0 0 1 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.951 121.1 46.0 -75.3 -49.7 12.3 39.9 -9.3 145 157 A S H 3<5S+ 0 0 52 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.768 122.7 35.8 -70.5 -29.7 11.5 41.6 -12.6 146 158 A E T 3<5S- 0 0 112 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.331 103.0-127.7-101.1 3.0 7.7 41.2 -12.2 147 159 A N T < 5 - 0 0 107 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.1 0.902 38.4-166.8 48.8 50.0 7.6 41.8 -8.4 148 160 A W < - 0 0 37 -5,-1.3 -1,-0.1 -6,-0.4 2,-0.1 -0.305 18.1-121.8 -63.0 146.6 5.6 38.6 -7.8 149 161 A T > - 0 0 84 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.396 33.3-104.6 -73.1 162.9 4.0 37.9 -4.5 150 162 A E H > S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 123.1 54.2 -56.4 -43.7 5.1 34.7 -2.7 151 163 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 108.2 49.0 -57.7 -42.8 1.8 33.0 -3.7 152 164 A T H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 111.6 49.0 -64.7 -41.5 2.4 33.9 -7.4 153 165 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.939 112.1 48.6 -64.0 -44.7 5.9 32.5 -7.3 154 166 A I H X S+ 0 0 34 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.923 110.8 50.6 -62.6 -43.7 4.7 29.3 -5.6 155 167 A E H X S+ 0 0 77 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.924 115.0 41.9 -61.6 -44.0 1.9 28.8 -8.2 156 168 A N H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.907 113.8 52.2 -70.4 -41.9 4.3 29.3 -11.2 157 169 A Y H X S+ 0 0 3 -4,-2.9 4,-2.8 -5,-0.2 5,-0.4 0.942 109.4 51.0 -55.5 -49.3 7.0 27.2 -9.6 158 170 A D H X S+ 0 0 69 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.924 113.0 44.5 -57.0 -48.0 4.5 24.4 -9.0 159 171 A K H X S+ 0 0 111 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.929 117.9 42.1 -63.9 -47.7 3.3 24.3 -12.6 160 172 A E H X S+ 0 0 49 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.850 115.4 48.7 -74.8 -32.9 6.7 24.5 -14.3 161 173 A I H X S+ 0 0 10 -4,-2.8 4,-3.2 -5,-0.3 5,-0.2 0.856 111.1 51.9 -72.8 -32.8 8.3 22.0 -11.9 162 174 A K H X S+ 0 0 122 -4,-1.9 4,-2.5 -5,-0.4 5,-0.5 0.917 109.0 50.2 -67.9 -40.4 5.4 19.7 -12.5 163 175 A L H X S+ 0 0 53 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.944 115.2 44.1 -59.2 -48.5 5.9 20.0 -16.2 164 176 A V H < S+ 0 0 45 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.918 116.9 43.8 -62.3 -45.6 9.6 19.3 -15.7 165 177 A T H < S+ 0 0 64 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.929 126.8 28.3 -74.3 -43.7 9.2 16.3 -13.3 166 178 A E H < S- 0 0 118 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.636 119.6-106.4 -92.5 -14.1 6.3 14.5 -15.1 167 179 A G X - 0 0 26 -4,-1.7 4,-1.7 -5,-0.5 -3,-0.2 0.225 14.4 -99.1 102.5 145.5 7.2 15.7 -18.6 168 180 A L H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.896 119.4 50.9 -63.3 -43.2 6.0 18.2 -21.1 169 181 A L H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 109.6 49.5 -66.9 -42.3 4.2 15.7 -23.2 170 182 A N H 4 S+ 0 0 88 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 110.2 54.7 -59.6 -31.9 2.3 14.2 -20.2 171 183 A Y H < S+ 0 0 103 -4,-1.7 -2,-0.2 -8,-0.2 -1,-0.2 0.886 114.7 37.1 -66.0 -42.6 1.4 17.8 -19.3 172 184 A I H < S+ 0 0 123 -4,-1.9 2,-0.3 1,-0.1 -2,-0.2 0.765 121.3 27.2 -85.3 -32.2 -0.2 18.5 -22.7 173 185 A T < - 0 0 57 -4,-2.2 -1,-0.1 -5,-0.2 0, 0.0 -0.966 54.2-142.9-136.6 151.6 -1.9 15.3 -23.7 174 186 A D S S+ 0 0 156 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.547 72.9 111.1 -82.9 -11.8 -3.5 12.2 -22.0 175 187 A R - 0 0 209 -6,-0.1 2,-0.2 1,-0.1 -2,-0.2 -0.407 67.8-128.3 -66.3 145.8 -2.1 10.1 -24.9 176 188 A K 0 0 178 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.637 360.0 360.0-104.1 150.5 0.7 7.8 -23.6 177 189 A N 0 0 211 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.920 360.0 360.0 -47.4 360.0 4.2 7.3 -25.0