==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 15-FEB-13 4J90 . COMPND 2 MOLECULE: KTR SYSTEM POTASSIUM UPTAKE PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.S.VIEIRA-PIRES,J.H.MORAIS-CABRAL . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.8 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 51 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 0 2 2 0 2 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 PARALLEL BRIDGES PER LADDER . 0 2 0 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 6 A N 0 0 148 0, 0.0 2,-0.4 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -94.4 29.8 -27.0 -32.0 2 7 A K - 0 0 62 2,-0.0 24,-1.3 64,-0.0 2,-0.6 -0.984 360.0-135.6-121.2 138.7 27.9 -27.3 -28.7 3 8 A Q E -a 26 0A 66 -2,-0.4 65,-1.7 62,-0.1 64,-0.7 -0.861 24.6-178.7-101.7 124.5 24.5 -25.8 -28.4 4 9 A F E -ab 27 68A 0 22,-3.0 24,-3.1 -2,-0.6 2,-0.5 -0.963 13.6-161.7-121.9 136.5 23.7 -23.8 -25.3 5 10 A A E -ab 28 69A 0 63,-2.4 65,-3.4 -2,-0.4 2,-0.7 -0.983 4.3-164.9-116.0 122.9 20.5 -22.1 -24.2 6 11 A V E -ab 29 70A 0 22,-3.1 24,-2.4 -2,-0.5 2,-0.7 -0.895 6.4-167.0-108.8 103.5 20.7 -19.4 -21.5 7 12 A I E +ab 30 71A 3 63,-3.0 65,-2.9 -2,-0.7 24,-0.2 -0.815 64.2 29.1 -95.2 115.2 17.2 -18.6 -20.2 8 13 A G - 0 0 7 22,-3.3 2,-1.7 -2,-0.7 23,-0.2 0.722 68.7-142.2 101.7 95.4 17.2 -15.5 -18.0 9 14 A L + 0 0 1 4,-0.2 -1,-0.1 21,-0.2 64,-0.1 -0.398 47.1 145.1 -88.1 62.0 19.7 -12.8 -18.7 10 15 A G S > S- 0 0 30 -2,-1.7 4,-1.2 62,-0.3 63,-0.1 0.199 73.1 -82.5 -72.6-159.1 20.4 -11.8 -15.2 11 16 A R H > S+ 0 0 62 3,-0.2 4,-0.8 2,-0.2 331,-0.1 0.839 136.1 37.8 -76.4 -33.5 23.8 -10.7 -13.9 12 17 A F H > S+ 0 0 3 60,-0.2 4,-1.9 2,-0.2 3,-0.2 0.937 121.6 41.7 -79.5 -54.7 24.7 -14.4 -13.6 13 18 A G H > S+ 0 0 0 59,-0.5 4,-2.4 1,-0.2 5,-0.2 0.938 112.8 56.6 -56.6 -48.8 22.9 -15.7 -16.7 14 19 A G H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.828 106.1 49.6 -50.7 -39.8 24.1 -12.7 -18.6 15 20 A S H X S+ 0 0 7 -4,-0.8 4,-3.6 -3,-0.2 5,-0.3 0.943 107.9 52.6 -69.4 -48.0 27.8 -13.5 -17.8 16 21 A I H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.954 114.5 43.0 -47.2 -57.3 27.4 -17.1 -18.9 17 22 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.901 116.0 47.4 -59.1 -45.6 26.0 -16.0 -22.3 18 23 A K H X S+ 0 0 78 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.924 118.1 41.7 -62.5 -45.8 28.6 -13.2 -22.7 19 24 A E H X S+ 0 0 32 -4,-3.6 4,-1.8 2,-0.2 3,-0.4 0.949 112.9 50.7 -67.7 -52.8 31.5 -15.5 -21.8 20 25 A L H <>S+ 0 0 0 -4,-3.3 5,-1.1 -5,-0.3 4,-0.4 0.866 110.4 52.6 -53.5 -38.7 30.3 -18.6 -23.7 21 26 A H H ><5S+ 0 0 64 -4,-2.0 3,-0.6 22,-0.3 -1,-0.3 0.840 104.8 53.7 -66.5 -35.9 29.9 -16.3 -26.8 22 27 A R H 3<5S+ 0 0 155 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.814 106.9 52.9 -66.2 -30.4 33.5 -15.0 -26.4 23 28 A M T 3<5S- 0 0 44 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.611 120.1-117.5 -75.9 -14.4 34.5 -18.7 -26.4 24 29 A G T < 5 + 0 0 50 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.966 61.3 145.1 74.1 55.5 32.5 -19.0 -29.7 25 30 A H < - 0 0 24 -5,-1.1 2,-0.9 -24,-0.1 -1,-0.2 -0.848 61.5 -96.8-112.1 157.7 29.8 -21.5 -28.8 26 31 A E E -a 3 0A 78 -24,-1.3 -22,-3.0 -2,-0.3 2,-0.5 -0.668 51.6-178.3 -76.5 107.2 26.3 -21.4 -30.2 27 32 A V E -a 4 0A 2 -2,-0.9 18,-1.7 -24,-0.2 19,-1.3 -0.946 20.2-156.9-116.9 121.5 24.4 -19.6 -27.4 28 33 A L E -ac 5 46A 14 -24,-3.1 -22,-3.1 -2,-0.5 2,-0.7 -0.875 13.4-155.7 -93.9 114.8 20.6 -18.9 -27.5 29 34 A A E -ac 6 47A 0 17,-2.2 19,-2.2 -2,-0.7 2,-0.4 -0.837 15.3-177.4 -96.5 112.3 19.8 -16.0 -25.2 30 35 A V E +ac 7 48A 0 -24,-2.4 -22,-3.3 -2,-0.7 2,-0.3 -0.917 11.2 153.1-113.4 133.8 16.3 -16.1 -23.9 31 36 A D E - c 0 49A 20 17,-1.5 19,-1.9 -2,-0.4 6,-0.1 -0.975 41.5-141.9-151.2 152.2 14.5 -13.5 -21.7 32 37 A I S S+ 0 0 107 -2,-0.3 2,-0.6 17,-0.2 19,-0.1 0.760 87.4 83.9 -80.0 -29.2 10.9 -12.3 -21.1 33 38 A N S >> S- 0 0 66 1,-0.2 4,-1.5 17,-0.1 3,-1.1 -0.686 71.7-152.7 -79.3 114.5 12.2 -8.7 -20.7 34 39 A E H 3> S+ 0 0 115 -2,-0.6 4,-2.4 1,-0.3 5,-0.2 0.881 93.4 57.4 -53.4 -44.6 12.6 -7.2 -24.2 35 40 A E H 3> S+ 0 0 143 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.742 103.9 53.0 -63.1 -26.9 15.3 -4.8 -23.1 36 41 A K H <> S+ 0 0 80 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.882 107.9 50.0 -72.5 -42.2 17.5 -7.7 -21.9 37 42 A V H < S+ 0 0 8 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.925 112.8 48.2 -58.1 -46.0 17.1 -9.4 -25.3 38 43 A N H < S+ 0 0 102 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.817 110.3 52.5 -62.4 -34.0 18.2 -6.0 -26.8 39 44 A A H < S+ 0 0 58 -4,-1.3 3,-0.4 1,-0.2 -2,-0.2 0.897 115.2 37.6 -72.2 -41.9 21.1 -5.7 -24.4 40 45 A Y S >< S+ 0 0 35 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.238 84.1 104.5 -97.9 12.6 22.7 -9.1 -25.1 41 46 A A G > S+ 0 0 56 -3,-0.4 3,-0.7 -4,-0.4 -1,-0.2 0.828 83.4 48.8 -59.9 -36.0 21.9 -9.1 -28.9 42 47 A S G 3 S+ 0 0 96 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.700 110.1 53.6 -74.0 -21.8 25.6 -8.4 -29.5 43 48 A Y G < S+ 0 0 100 -3,-0.7 -22,-0.3 -4,-0.1 2,-0.3 0.027 104.1 53.4-110.7 25.9 26.7 -11.2 -27.2 44 49 A A S < S- 0 0 12 -3,-0.7 3,-0.2 1,-0.1 -16,-0.1 -0.956 72.0-124.7-148.8 167.1 24.8 -14.2 -28.6 45 50 A T S S+ 0 0 65 -18,-1.7 2,-0.4 1,-0.3 -17,-0.2 0.920 104.5 8.4 -76.0 -49.5 24.1 -16.2 -31.8 46 51 A H E -c 28 0A 125 -19,-1.3 -17,-2.2 -3,-0.1 2,-0.6 -0.981 66.8-167.4-136.9 123.2 20.3 -15.7 -31.4 47 52 A A E -c 29 0A 33 -2,-0.4 2,-0.4 -3,-0.2 -17,-0.2 -0.947 18.0-179.4-112.0 115.3 18.6 -13.5 -28.9 48 53 A V E -c 30 0A 56 -19,-2.2 -17,-1.5 -2,-0.6 2,-0.6 -0.926 30.4-129.7-123.6 136.7 14.8 -14.1 -28.5 49 54 A I E +c 31 0A 89 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.736 49.1 151.0 -75.2 118.4 12.0 -12.6 -26.5 50 55 A A - 0 0 3 -19,-1.9 2,-0.9 -2,-0.6 -17,-0.1 -0.989 52.6-129.9-152.0 144.9 10.2 -15.6 -24.9 51 56 A N > - 0 0 48 -2,-0.3 3,-1.9 1,-0.1 6,-0.2 -0.853 26.8-160.0 -87.8 102.1 8.1 -16.5 -21.8 52 57 A A T 3 S+ 0 0 9 -2,-0.9 -1,-0.1 1,-0.3 34,-0.1 0.560 86.1 58.5 -68.4 -10.3 10.1 -19.7 -20.9 53 58 A T T 3 S+ 0 0 30 33,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.634 85.8 90.1 -88.8 -17.3 7.2 -21.0 -18.8 54 59 A E <> - 0 0 94 -3,-1.9 4,-1.4 1,-0.2 3,-0.4 -0.737 69.5-153.9 -85.0 114.9 4.9 -21.0 -21.8 55 60 A E H > S+ 0 0 107 -2,-0.7 4,-1.6 1,-0.2 5,-0.2 0.868 89.2 52.2 -58.6 -47.0 5.2 -24.4 -23.5 56 61 A N H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.824 108.8 51.8 -62.9 -32.5 4.3 -23.4 -27.1 57 62 A E H > S+ 0 0 60 -3,-0.4 4,-1.2 -6,-0.2 -1,-0.2 0.841 106.2 56.2 -68.2 -34.1 6.9 -20.6 -27.0 58 63 A L H X>S+ 0 0 0 -4,-1.4 5,-1.8 1,-0.2 4,-0.6 0.825 108.9 44.6 -69.6 -33.9 9.4 -23.2 -25.8 59 64 A L H <5S+ 0 0 80 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.783 108.5 58.8 -76.4 -30.0 8.7 -25.3 -28.9 60 65 A S H <5S+ 0 0 103 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.735 105.9 48.3 -70.1 -25.4 8.8 -22.1 -31.1 61 66 A L H <5S- 0 0 32 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.709 110.2-131.9 -79.7 -24.7 12.4 -21.6 -29.8 62 67 A G T ><5 + 0 0 19 -4,-0.6 3,-1.1 -5,-0.1 -3,-0.2 0.934 42.6 166.8 71.5 51.1 13.0 -25.3 -30.7 63 68 A I G > < + 0 0 1 -5,-1.8 3,-1.8 1,-0.2 -4,-0.1 0.742 58.0 78.4 -74.4 -23.1 14.6 -26.0 -27.3 64 69 A R G 3 S+ 0 0 162 1,-0.3 -1,-0.2 -6,-0.2 -5,-0.1 0.746 87.6 63.2 -53.5 -25.7 14.5 -29.9 -27.7 65 70 A N G < S+ 0 0 118 -3,-1.1 -1,-0.3 27,-0.1 2,-0.2 0.718 82.8 99.1 -73.2 -23.7 17.6 -29.5 -30.0 66 71 A F < - 0 0 22 -3,-1.8 28,-0.2 -4,-0.2 -62,-0.1 -0.451 56.6-158.2 -81.8 137.2 19.9 -28.1 -27.3 67 72 A E S S+ 0 0 78 -64,-0.7 27,-1.5 1,-0.2 2,-0.4 0.849 84.5 32.5 -73.0 -39.0 22.4 -30.2 -25.4 68 73 A Y E -bd 4 94A 16 -65,-1.7 -63,-2.4 25,-0.1 2,-0.4 -0.986 62.5-177.0-128.3 127.2 22.6 -27.7 -22.5 69 74 A V E -bd 5 95A 0 25,-2.6 27,-2.3 -2,-0.4 2,-0.6 -0.993 9.6-160.8-124.3 128.3 19.9 -25.4 -21.1 70 75 A I E -bd 6 96A 1 -65,-3.4 -63,-3.0 -2,-0.4 2,-1.0 -0.933 7.3-157.7-113.0 116.7 20.7 -23.0 -18.3 71 76 A V E +bd 7 97A 0 25,-2.5 27,-3.3 -2,-0.6 -63,-0.2 -0.813 15.9 174.9 -91.6 98.2 17.9 -21.6 -16.1 72 77 A A + 0 0 7 -65,-2.9 2,-0.7 -2,-1.0 -59,-0.5 -0.037 40.3 116.5 -96.6 29.5 19.5 -18.4 -14.8 73 78 A I + 0 0 38 -66,-0.2 27,-0.1 25,-0.1 25,-0.1 -0.905 26.0 152.0 -97.8 115.1 16.2 -17.2 -13.1 74 79 A G + 0 0 5 -2,-0.7 3,-0.2 25,-0.1 -1,-0.1 0.321 63.5 52.7-130.9 2.5 16.9 -17.2 -9.4 75 80 A A S S+ 0 0 72 1,-0.2 2,-1.3 25,-0.0 -2,-0.1 0.766 101.8 59.4 -99.5 -45.5 14.6 -14.5 -7.9 76 81 A N > - 0 0 89 1,-0.2 4,-2.6 2,-0.1 -1,-0.2 -0.667 64.5-178.5 -89.4 86.8 11.3 -15.8 -9.4 77 82 A I H > S+ 0 0 59 -2,-1.3 4,-3.6 1,-0.2 5,-0.2 0.904 80.2 52.3 -50.1 -50.0 11.1 -19.4 -7.9 78 83 A Q H > S+ 0 0 152 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.905 111.9 45.4 -57.9 -46.0 7.8 -20.2 -9.8 79 84 A A H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.966 116.3 47.1 -58.6 -54.0 9.2 -19.2 -13.2 80 85 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.940 116.8 42.5 -49.0 -59.2 12.4 -21.1 -12.5 81 86 A T H X S+ 0 0 33 -4,-3.6 4,-2.5 1,-0.2 5,-0.2 0.954 114.4 48.9 -55.6 -59.6 10.6 -24.2 -11.2 82 87 A L H X S+ 0 0 70 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.835 113.7 47.9 -51.6 -42.5 7.9 -24.2 -14.0 83 88 A T H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.953 108.9 51.7 -63.9 -53.3 10.6 -23.8 -16.7 84 89 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.918 110.8 50.0 -51.8 -45.6 12.9 -26.5 -15.4 85 90 A L H X S+ 0 0 75 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.917 108.8 51.7 -58.9 -46.6 9.9 -28.9 -15.3 86 91 A L H X S+ 0 0 23 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.935 111.3 47.4 -54.3 -49.8 9.0 -28.0 -18.9 87 92 A L H <>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 -2,-0.2 0.866 110.1 53.3 -62.7 -38.8 12.6 -28.7 -20.0 88 93 A K H ><5S+ 0 0 79 -4,-2.5 3,-2.1 -5,-0.2 -2,-0.2 0.962 108.8 47.0 -60.1 -54.0 12.6 -32.0 -18.2 89 94 A E H 3<5S+ 0 0 153 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.1 61.9 -58.3 -28.0 9.5 -33.3 -19.8 90 95 A L T 3<5S- 0 0 16 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.195 115.4-118.5 -84.8 15.4 11.0 -32.2 -23.1 91 96 A D T < 5 + 0 0 143 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.724 45.5 176.1 55.9 34.2 13.9 -34.7 -22.6 92 97 A I < - 0 0 4 -5,-1.7 3,-0.2 1,-0.1 -1,-0.2 -0.521 27.4-140.4 -68.7 130.4 16.8 -32.1 -22.4 93 98 A P S S+ 0 0 60 0, 0.0 2,-0.5 0, 0.0 -25,-0.1 0.930 83.9 24.7 -56.7 -56.2 20.1 -33.8 -21.6 94 99 A N E -d 68 0A 42 -27,-1.5 -25,-2.6 -28,-0.2 2,-0.6 -0.948 62.0-179.3-123.7 113.0 21.6 -31.2 -19.2 95 100 A I E -d 69 0A 0 -2,-0.5 19,-2.3 -3,-0.2 20,-1.8 -0.924 6.2-175.6-113.1 108.0 19.5 -28.8 -17.2 96 101 A W E -de 70 115A 21 -27,-2.3 -25,-2.5 -2,-0.6 2,-0.4 -0.911 10.1-169.4-103.6 124.1 21.6 -26.4 -15.1 97 102 A V E -de 71 116A 0 18,-3.0 20,-2.7 -2,-0.5 2,-0.4 -0.949 23.1-132.2-125.3 135.3 19.6 -24.1 -12.8 98 103 A K E - e 0 117A 10 -27,-3.3 2,-0.3 -2,-0.4 20,-0.2 -0.669 31.8-155.1 -74.0 128.3 20.4 -21.1 -10.7 99 104 A A - 0 0 2 18,-2.9 -25,-0.1 -2,-0.4 3,-0.1 -0.825 18.3-164.4-111.4 152.1 18.9 -21.5 -7.2 100 105 A Q - 0 0 60 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.878 68.5 -0.1 -98.0 -52.1 17.8 -18.9 -4.6 101 106 A N S > S- 0 0 63 1,-0.0 4,-2.3 0, 0.0 -1,-0.3 -0.846 79.4 -90.6-136.7 174.5 17.4 -20.7 -1.3 102 107 A Y H > S+ 0 0 146 -2,-0.3 4,-1.7 1,-0.2 -1,-0.0 0.813 124.5 47.3 -57.1 -35.8 17.7 -24.2 0.2 103 108 A Y H > S+ 0 0 170 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.863 109.5 51.1 -76.3 -38.1 14.0 -25.0 -0.6 104 109 A H H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.825 110.1 53.3 -64.6 -32.1 14.1 -23.7 -4.2 105 110 A H H X S+ 0 0 43 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.941 105.6 54.3 -59.7 -49.5 17.1 -26.0 -4.4 106 111 A K H X S+ 0 0 61 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.877 107.7 46.7 -57.0 -46.9 15.0 -28.9 -3.1 107 112 A V H X S+ 0 0 58 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.924 111.9 51.6 -64.1 -42.8 12.3 -28.6 -5.7 108 113 A L H <>S+ 0 0 0 -4,-1.5 5,-2.4 1,-0.2 -2,-0.2 0.929 110.9 48.7 -57.7 -47.0 14.8 -28.4 -8.5 109 114 A E H ><5S+ 0 0 90 -4,-2.6 3,-1.2 3,-0.2 -1,-0.2 0.927 113.6 47.3 -51.9 -48.9 16.5 -31.5 -7.2 110 115 A K H 3<5S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.770 110.1 49.9 -73.3 -31.1 13.1 -33.3 -7.0 111 116 A I T 3<5S- 0 0 46 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.295 124.9-106.1 -88.8 8.3 12.0 -32.2 -10.5 112 117 A G T < 5 + 0 0 25 -3,-1.2 -3,-0.2 -5,-0.2 2,-0.2 0.897 49.1 177.7 74.3 48.3 15.4 -33.5 -11.7 113 118 A A < - 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