==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 22-MAR-11 3R6U . COMPND 2 MOLECULE: CHOLINE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.PITTELKOW,B.TSCHAPEK,S.H.J.SMITS,L.SCHMITT,E.BREMER . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.4 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 2 3 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 PARALLEL BRIDGES PER LADDER . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 12 A Q 0 0 160 0, 0.0 31,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 45.6 -4.9 14.7 7.6 2 13 A T - 0 0 72 29,-0.4 2,-0.6 1,-0.0 30,-0.2 0.737 360.0-174.9-120.8 138.8 -3.4 14.3 4.9 3 14 A I E -a 32 0A 2 28,-3.0 30,-2.1 18,-0.1 2,-0.6 -0.897 18.8-147.5 -98.2 118.8 -4.7 12.0 2.2 4 15 A K E -a 33 0A 63 -2,-0.6 50,-2.4 28,-0.2 51,-1.7 -0.782 12.0-164.1 -91.1 119.7 -2.4 11.6 -0.8 5 16 A I E -ab 34 55A 0 28,-3.0 30,-2.6 -2,-0.6 2,-0.2 -0.897 10.6-141.3-112.1 124.2 -4.2 11.1 -4.2 6 17 A G E -ab 35 56A 0 49,-2.9 51,-2.1 -2,-0.6 52,-0.4 -0.546 12.9-165.6 -86.8 139.6 -2.3 9.8 -7.2 7 18 A A E - 0 0 0 28,-2.7 31,-2.4 -2,-0.2 7,-0.1 -0.996 15.0-135.8-122.6 130.7 -2.7 11.0 -10.7 8 19 A Q E -a 38 0A 18 -2,-0.4 2,-2.2 29,-0.2 29,-0.4 -0.325 45.8 -88.5 -67.7 159.6 -1.4 9.3 -13.9 9 20 A S S S+ 0 0 50 29,-1.8 2,-0.3 28,-0.2 -1,-0.1 -0.238 95.4 103.7 -70.6 53.8 0.2 11.6 -16.6 10 21 A M S > S- 0 0 21 -2,-2.2 4,-1.9 1,-0.1 3,-0.3 -0.982 77.3-126.5-132.7 145.5 -3.2 12.3 -18.3 11 22 A S H > S+ 0 0 32 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.894 112.2 57.7 -55.5 -42.2 -5.4 15.4 -18.2 12 23 A E H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.893 105.0 48.1 -56.6 -45.5 -8.3 13.2 -17.2 13 24 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.901 111.4 50.7 -67.7 -36.4 -6.5 11.8 -14.1 14 25 A E H X S+ 0 0 44 -4,-1.9 4,-2.1 -6,-0.2 -2,-0.2 0.913 110.6 49.0 -64.9 -43.7 -5.5 15.3 -13.0 15 26 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.953 115.5 42.9 -60.5 -48.2 -9.1 16.5 -13.3 16 27 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.891 112.7 52.4 -68.6 -40.6 -10.6 13.5 -11.3 17 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.915 113.0 44.2 -62.6 -41.5 -7.9 13.6 -8.7 18 29 A S H X S+ 0 0 17 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.923 113.0 52.3 -67.1 -39.5 -8.5 17.3 -8.0 19 30 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.943 112.6 44.9 -61.5 -49.5 -12.4 16.8 -8.1 20 31 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.916 113.0 50.0 -61.2 -42.5 -12.1 13.9 -5.4 21 32 A G H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.933 112.0 48.1 -63.4 -42.4 -9.7 15.9 -3.2 22 33 A Q H X S+ 0 0 36 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.871 111.4 51.1 -64.2 -36.8 -12.0 19.0 -3.3 23 34 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.912 109.3 49.0 -69.2 -42.4 -15.0 16.8 -2.5 24 35 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.3 0.923 112.5 48.5 -58.9 -44.7 -13.2 15.2 0.5 25 36 A E H < S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.819 107.4 57.5 -70.0 -28.9 -12.2 18.7 1.8 26 37 A H H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.816 118.4 30.4 -64.7 -35.0 -15.9 19.9 1.3 27 38 A H H < S+ 0 0 82 -4,-1.3 2,-0.2 -3,-0.3 -2,-0.2 0.679 122.7 26.4 -96.1 -24.6 -17.2 17.2 3.6 28 39 A T S < S- 0 0 21 -4,-1.9 0, 0.0 2,-0.2 0, 0.0 -0.719 74.6-107.5-136.7 175.5 -14.5 16.5 6.2 29 40 A D S S+ 0 0 144 -2,-0.2 2,-0.1 2,-0.1 -4,-0.1 0.340 76.4 121.9 -93.7 6.2 -11.5 18.0 8.0 30 41 A L - 0 0 4 -6,-0.3 2,-0.3 -29,-0.1 -2,-0.2 -0.406 56.8-138.9 -64.0 139.4 -9.0 15.9 6.0 31 42 A K - 0 0 131 -2,-0.1 -28,-3.0 -7,-0.0 -29,-0.4 -0.669 19.9-157.2 -88.5 150.0 -6.3 17.7 4.0 32 43 A T E -a 3 0A 26 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.980 12.0-173.5-130.9 146.5 -5.6 16.4 0.5 33 44 A T E -a 4 0A 63 -30,-2.1 -28,-3.0 -2,-0.4 2,-0.5 -0.955 21.7-127.3-129.2 160.1 -2.6 16.6 -1.7 34 45 A T E -a 5 0A 53 -2,-0.3 2,-0.7 -30,-0.2 -28,-0.2 -0.922 8.4-157.6-110.9 126.6 -2.1 15.4 -5.4 35 46 A I E -a 6 0A 59 -30,-2.6 -28,-2.7 -2,-0.5 3,-0.4 -0.900 30.3-165.6 -99.8 98.9 0.8 13.1 -6.4 36 47 A K E + 0 0 111 -2,-0.7 -27,-0.1 -30,-0.2 -28,-0.1 -0.291 48.7 33.1 -87.3 168.8 1.1 13.8 -10.2 37 48 A N E + 0 0 118 -29,-0.4 -29,-0.2 1,-0.2 -28,-0.2 0.631 58.2 168.4 65.3 23.0 2.8 12.3 -13.1 38 49 A L E -a 8 0A 21 -31,-2.4 -29,-1.8 -3,-0.4 -1,-0.2 -0.449 31.6-140.4 -62.4 134.7 2.6 8.6 -12.2 39 50 A G - 0 0 18 -31,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.763 57.1 -18.1 -79.9 -17.6 3.6 7.0 -15.5 40 51 A S S > S- 0 0 31 1,-0.1 4,-2.5 -32,-0.0 5,-0.2 -0.971 74.3 -75.3-169.7 169.2 1.4 4.0 -15.8 41 52 A N H > S+ 0 0 15 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.895 126.4 51.4 -46.9 -45.0 -0.9 1.4 -14.3 42 53 A A H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.894 107.4 51.4 -67.9 -39.9 2.1 -0.4 -12.8 43 54 A V H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 110.9 47.6 -59.9 -46.9 3.4 2.7 -11.2 44 55 A Q H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.906 110.2 54.8 -62.1 -40.7 0.1 3.4 -9.6 45 56 A Q H X S+ 0 0 18 -4,-2.4 4,-1.5 2,-0.2 3,-0.3 0.943 110.1 43.5 -52.9 -54.8 -0.1 -0.2 -8.4 46 57 A Q H X S+ 0 0 114 -4,-2.5 4,-1.6 1,-0.2 6,-0.3 0.904 109.8 56.9 -66.2 -33.4 3.2 -0.1 -6.6 47 58 A A H <>S+ 0 0 9 -4,-2.1 6,-1.8 1,-0.2 5,-0.9 0.829 106.9 50.1 -64.6 -30.1 2.5 3.3 -5.1 48 59 A L H <5S+ 0 0 7 -4,-1.8 3,-0.3 -3,-0.3 -1,-0.2 0.834 112.5 46.9 -69.9 -36.5 -0.7 1.9 -3.5 49 60 A M H <5S+ 0 0 86 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.654 115.9 43.6 -83.6 -18.9 1.1 -1.1 -2.0 50 61 A N T <5S- 0 0 81 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.379 112.4-108.3-107.2 6.2 4.0 0.9 -0.6 51 62 A G T 5S+ 0 0 38 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.443 82.8 121.2 84.6 2.7 2.1 3.9 0.9 52 63 A E S - C 0 212A 5 -2,-0.3 4,-1.8 152,-0.2 3,-0.3 -0.970 11.4-138.0-123.8 129.1 -8.9 1.2 -15.7 61 72 A T H > S+ 0 0 0 150,-2.0 4,-2.9 -2,-0.4 3,-0.3 0.922 103.5 51.8 -58.0 -44.2 -10.1 -2.4 -15.7 62 73 A G H > S+ 0 0 0 147,-1.1 4,-1.3 1,-0.2 5,-0.4 0.856 110.6 48.9 -58.0 -34.3 -8.4 -3.3 -19.0 63 74 A D H > S+ 0 0 28 -3,-0.3 4,-1.7 1,-0.2 5,-0.4 0.891 115.2 43.5 -71.3 -40.0 -5.0 -1.9 -17.8 64 75 A A H X>S+ 0 0 0 -4,-1.8 5,-2.7 -3,-0.3 4,-1.0 0.837 108.3 57.1 -79.0 -38.2 -5.2 -3.8 -14.4 65 76 A L H <5S+ 0 0 0 -4,-2.9 6,-2.4 -5,-0.2 -2,-0.2 0.926 121.4 27.0 -58.4 -43.9 -6.4 -7.2 -15.9 66 77 A T H X5S+ 0 0 26 -4,-1.3 4,-0.9 4,-0.2 -2,-0.2 0.972 131.2 36.2 -75.7 -63.1 -3.5 -7.5 -18.2 67 78 A G H <5S+ 0 0 32 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.884 129.3 21.0 -68.3 -51.3 -0.8 -5.5 -16.4 68 79 A T T <5S+ 0 0 18 -4,-1.0 -3,-0.2 -5,-0.4 -1,-0.1 0.937 130.8 34.7 -90.5 -54.5 -1.3 -6.2 -12.7 69 80 A L T 4 S- 0 0 66 1,-0.1 4,-2.7 133,-0.1 5,-0.2 -0.746 72.5-140.0 -85.6 128.7 -17.3 -8.0 -21.4 77 88 A P H > S+ 0 0 57 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.919 98.9 44.1 -52.2 -53.0 -17.3 -4.7 -19.3 78 89 A D H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 117.4 45.3 -64.1 -45.0 -19.5 -5.9 -16.4 79 90 A K H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 112.1 52.1 -60.9 -43.1 -17.6 -9.3 -16.1 80 91 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.933 111.5 47.5 -61.7 -44.9 -14.2 -7.5 -16.4 81 92 A L H X S+ 0 0 24 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.945 112.3 47.8 -63.6 -48.0 -15.2 -5.1 -13.5 82 93 A A H X S+ 0 0 55 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 112.9 48.3 -60.8 -39.9 -16.5 -7.8 -11.2 83 94 A L H X S+ 0 0 30 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.948 113.0 48.7 -65.6 -42.1 -13.4 -10.0 -11.8 84 95 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.922 111.7 48.8 -61.2 -49.3 -11.1 -7.0 -11.1 85 96 A Q H X S+ 0 0 53 -4,-2.7 4,-1.8 -5,-0.2 11,-0.2 0.944 113.6 47.4 -56.7 -48.4 -13.0 -6.0 -7.9 86 97 A R H X S+ 0 0 148 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.958 115.7 42.3 -58.2 -55.1 -12.8 -9.6 -6.6 87 98 A E H X S+ 0 0 13 -4,-3.0 4,-2.8 1,-0.2 5,-0.4 0.841 109.9 56.8 -68.5 -31.6 -9.1 -10.2 -7.3 88 99 A F H X S+ 0 0 0 -4,-2.7 6,-1.9 -5,-0.3 4,-1.6 0.904 111.5 42.8 -63.4 -40.5 -8.0 -6.8 -6.1 89 100 A K H X S+ 0 0 98 -4,-1.8 4,-1.4 4,-0.3 -2,-0.2 0.944 119.2 44.8 -66.6 -48.2 -9.6 -7.4 -2.6 90 101 A K H < S+ 0 0 162 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.924 123.7 31.0 -63.0 -47.8 -8.2 -11.0 -2.5 91 102 A R H < S+ 0 0 105 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.812 137.6 14.2 -83.3 -35.1 -4.7 -10.4 -3.7 92 103 A Y H < S- 0 0 53 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.2 0.422 88.2-119.6-124.9 -5.0 -3.9 -6.9 -2.5 93 104 A D < + 0 0 77 -4,-1.4 125,-2.5 -5,-0.4 2,-0.4 0.876 67.8 142.8 56.7 35.2 -6.6 -5.9 0.1 94 105 A L E -D 217 0A 2 -6,-1.9 2,-0.7 123,-0.2 -1,-0.2 -0.910 50.8-135.8-104.0 141.4 -7.4 -3.0 -2.2 95 106 A K E -D 216 0A 60 121,-3.3 121,-2.2 -2,-0.4 2,-0.8 -0.861 14.6-165.9 -96.8 112.0 -11.0 -1.8 -2.8 96 107 A W E -D 215 0A 6 -2,-0.7 119,-0.2 -11,-0.2 -7,-0.1 -0.905 22.1-147.3 -94.9 106.1 -11.6 -1.2 -6.5 97 108 A Y - 0 0 2 117,-2.2 3,-0.1 -2,-0.8 -12,-0.0 -0.186 23.5 -83.7 -71.2 167.7 -14.9 0.8 -6.5 98 109 A D - 0 0 99 1,-0.1 -1,-0.1 115,-0.1 138,-0.0 -0.252 66.7 -77.1 -59.2 161.0 -17.7 0.8 -9.1 99 110 A S - 0 0 18 114,-0.2 137,-1.9 1,-0.1 114,-0.3 -0.256 22.2-129.7 -62.0 147.8 -17.0 3.1 -12.1 100 111 A Y - 0 0 0 112,-2.5 138,-2.8 135,-0.3 137,-0.6 0.789 65.9 -94.4 -59.7 -23.4 -17.4 6.9 -12.2 101 112 A G S S+ 0 0 36 111,-0.6 139,-0.6 1,-0.5 2,-0.3 0.377 95.0 88.7 126.0 -7.1 -19.5 6.2 -15.3 102 113 A F - 0 0 0 110,-0.4 110,-2.3 137,-0.3 -1,-0.5 -0.875 54.2-152.2-122.7 156.7 -17.0 6.5 -18.2 103 114 A D B -E 211 0B 58 -2,-0.3 2,-0.5 108,-0.2 108,-0.3 -0.970 4.1-158.5-126.3 138.3 -14.5 4.2 -20.0 104 115 A N + 0 0 14 106,-1.9 2,-0.3 -2,-0.4 -2,-0.0 -0.872 23.4 174.4-120.1 90.3 -11.4 5.4 -21.7 105 116 A T - 0 0 34 -2,-0.5 82,-2.5 1,-0.1 83,-0.1 -0.705 38.9-103.5 -98.5 150.1 -10.3 2.9 -24.3 106 117 A Y E -F 186 0C 29 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.453 45.9-170.6 -55.6 139.5 -7.5 3.0 -26.9 107 118 A A E -F 185 0C 10 78,-2.1 78,-2.7 -2,-0.1 2,-0.3 -0.918 26.6-128.7-145.5 123.9 -9.2 3.7 -30.3 108 119 A F E -F 184 0C 2 92,-0.3 92,-3.3 -2,-0.3 2,-0.4 -0.538 40.7-171.2 -70.5 125.9 -7.7 3.7 -33.7 109 120 A T E +FG 183 199C 0 74,-3.2 74,-2.3 -2,-0.3 2,-0.3 -0.965 15.9 174.2-133.3 137.5 -8.7 7.1 -35.1 110 121 A V E - G 0 198C 2 88,-2.8 88,-3.2 -2,-0.4 72,-0.1 -0.819 40.2 -85.6-130.8 168.9 -8.5 8.7 -38.6 111 122 A S E > - G 0 197C 20 70,-0.5 4,-2.3 -2,-0.3 5,-0.2 -0.434 35.8-120.8 -68.7 152.1 -9.6 11.9 -40.2 112 123 A K H > S+ 0 0 109 84,-0.5 4,-2.3 1,-0.2 5,-0.2 0.908 114.2 58.8 -60.9 -35.7 -13.2 12.0 -41.5 113 124 A E H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 108.7 41.9 -58.2 -48.9 -11.6 12.8 -45.0 114 125 A L H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 114.1 52.0 -65.8 -42.2 -9.5 9.5 -45.0 115 126 A A H X>S+ 0 0 8 -4,-2.3 5,-1.9 1,-0.2 4,-0.6 0.869 113.2 44.7 -60.8 -37.7 -12.4 7.5 -43.7 116 127 A D H <5S+ 0 0 90 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.893 112.6 51.7 -74.5 -38.8 -14.7 8.8 -46.4 117 128 A Q H <5S+ 0 0 144 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.896 124.6 26.0 -67.1 -38.0 -12.1 8.3 -49.2 118 129 A Y H <5S- 0 0 88 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.248 105.5-117.4-114.8 11.2 -11.4 4.7 -48.4 119 130 A H T <5 + 0 0 154 -4,-0.6 2,-0.6 -3,-0.3 -3,-0.2 0.942 47.2 179.2 52.1 53.8 -14.7 3.7 -46.7 120 131 A L < + 0 0 6 -5,-1.9 -1,-0.2 -6,-0.2 3,-0.1 -0.794 24.2 140.7 -90.1 120.0 -13.0 3.0 -43.3 121 132 A E + 0 0 97 -2,-0.6 80,-2.8 1,-0.3 2,-0.2 0.609 64.1 31.7-121.8 -29.0 -15.3 1.8 -40.5 122 133 A T B S-j 201 0D 30 78,-0.3 4,-0.4 1,-0.1 -1,-0.3 -0.762 77.8-110.8-131.0 163.1 -13.4 -0.9 -38.6 123 134 A V S > S+ 0 0 2 78,-2.6 3,-1.8 -2,-0.2 4,-0.4 0.915 118.8 57.7 -61.2 -44.2 -9.8 -1.8 -37.7 124 135 A S G > S+ 0 0 42 77,-0.3 3,-1.3 1,-0.3 4,-0.4 0.829 94.8 65.9 -54.8 -32.6 -10.1 -4.8 -40.1 125 136 A D G 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.2 3,-0.2 0.697 99.0 53.4 -62.7 -20.4 -10.9 -2.4 -43.0 126 137 A V G X> S+ 0 0 1 -3,-1.8 3,-1.6 -4,-0.4 4,-1.2 0.577 80.0 95.4 -90.2 -6.4 -7.3 -0.9 -42.6 127 138 A K G X4 S+ 0 0 113 -3,-1.3 3,-0.9 -4,-0.4 32,-0.2 0.898 85.0 47.0 -50.8 -49.0 -5.6 -4.3 -43.0 128 139 A K G 34 S+ 0 0 165 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.687 117.0 44.9 -67.8 -17.6 -5.0 -3.9 -46.7 129 140 A W G X4 S+ 0 0 71 -3,-1.6 3,-2.3 -4,-0.1 4,-0.4 0.490 81.2 103.7-101.4 -8.4 -3.7 -0.3 -46.3 130 141 A A G X< S+ 0 0 1 -4,-1.2 31,-2.1 -3,-0.9 3,-1.9 0.856 74.8 55.8 -50.3 -48.2 -1.4 -0.9 -43.3 131 142 A P G 3 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.739 111.3 46.5 -58.8 -17.4 1.9 -0.9 -45.1 132 143 A Q G < S+ 0 0 140 -3,-2.3 2,-0.4 29,-0.1 -2,-0.2 0.376 95.4 96.0-106.1 3.8 1.1 2.6 -46.5 133 144 A L < - 0 0 14 -3,-1.9 29,-1.3 -4,-0.4 28,-0.6 -0.784 63.3-141.8-102.5 140.9 -0.1 4.2 -43.3 134 145 A K E -h 162 0C 82 -2,-0.4 48,-2.0 27,-0.2 47,-1.9 -0.882 23.2-157.5 -92.5 115.5 1.7 6.4 -40.8 135 146 A L E -hi 163 182C 0 27,-2.7 29,-2.0 -2,-0.6 2,-0.3 -0.899 5.2-159.1-100.5 121.3 0.6 5.5 -37.2 136 147 A G E +hi 164 183C 0 46,-2.7 48,-2.0 -2,-0.5 2,-0.3 -0.777 24.4 164.6 -93.4 139.9 0.9 8.0 -34.2 137 148 A V E -h 165 0C 0 27,-1.5 29,-2.2 -2,-0.3 48,-0.1 -0.942 37.5 -89.0-151.5 165.1 0.9 6.4 -30.8 138 149 A D > - 0 0 4 -2,-0.3 4,-0.5 46,-0.3 29,-0.2 -0.150 46.9 -99.6 -72.6 173.2 1.7 7.2 -27.1 139 150 A N T 4 S+ 0 0 78 27,-0.4 28,-0.1 1,-0.2 -1,-0.1 0.412 114.1 39.9 -80.4 9.6 5.2 6.5 -25.6 140 151 A Y T >> S+ 0 0 123 2,-0.1 3,-1.4 3,-0.0 4,-0.6 0.689 92.4 73.9-120.8 -34.7 4.1 3.1 -23.9 141 152 A W G >4 S+ 0 0 0 1,-0.3 8,-1.6 2,-0.2 3,-0.7 0.791 86.1 64.6 -67.9 -30.9 1.9 1.1 -26.1 142 153 A M G 3< S+ 0 0 53 -4,-0.5 8,-0.3 1,-0.2 -1,-0.3 0.780 115.9 32.2 -58.9 -28.4 4.6 -0.1 -28.7 143 154 A K G <4 S+ 0 0 171 -3,-1.4 -1,-0.2 6,-0.1 2,-0.2 0.360 88.4 122.0-114.3 2.0 6.3 -2.0 -25.8 144 155 A L << - 0 0 64 -3,-0.7 4,-0.5 -4,-0.6 6,-0.4 -0.471 51.2-151.1 -69.9 131.6 3.3 -3.0 -23.8 145 156 A K S S+ 0 0 170 -2,-0.2 -1,-0.1 2,-0.1 6,-0.0 0.749 79.1 48.7 -80.2 -27.5 2.9 -6.8 -23.3 146 157 A G S S- 0 0 24 1,-0.2 -1,-0.1 -83,-0.1 -83,-0.0 0.985 135.2 -9.3 -74.1 -70.1 -0.9 -7.4 -22.9 147 158 A N S S+ 0 0 9 4,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.416 103.5 126.3-130.8 48.4 -2.7 -5.6 -25.7 148 159 A G S > S- 0 0 0 -4,-0.5 4,-1.8 -5,-0.1 -6,-0.2 -0.221 80.8 -75.4 -97.7-170.8 0.2 -3.7 -27.0 149 160 A Y H > S+ 0 0 31 -8,-1.6 4,-2.4 2,-0.2 5,-0.3 0.826 125.5 59.8 -54.3 -41.5 1.5 -3.5 -30.5 150 161 A Q H > S+ 0 0 126 -6,-0.4 4,-1.5 -8,-0.3 -1,-0.2 0.952 112.9 36.9 -55.5 -53.1 3.2 -7.0 -30.4 151 162 A D H > S+ 0 0 58 -7,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.778 112.5 60.6 -73.8 -30.2 -0.1 -8.7 -29.7 152 163 A F H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.5 0.947 105.2 46.9 -61.2 -46.2 -2.1 -6.3 -32.0 153 164 A T H X S+ 0 0 30 -4,-2.4 4,-1.5 1,-0.2 5,-0.4 0.891 113.8 48.6 -67.1 -40.2 -0.1 -7.3 -35.1 154 165 A K H < S+ 0 0 154 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.928 116.9 42.2 -63.5 -43.2 -0.4 -11.0 -34.3 155 166 A T H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.951 126.7 29.1 -71.1 -47.9 -4.2 -10.7 -33.7 156 167 A Y H < S- 0 0 3 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.656 99.4-133.8 -87.0 -16.4 -5.2 -8.4 -36.6 157 168 A G < + 0 0 43 -4,-1.5 2,-0.3 -5,-0.5 -3,-0.2 0.889 64.0 111.0 67.4 37.5 -2.4 -9.6 -38.9 158 169 A M - 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