==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-JUN-07 2Q89 . COMPND 2 MOLECULE: PUTATIVE ABC TRANSPORTER AMINO ACID-BINDING PROTE . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR N.HANEKOP,M.HOEING,L.SOHN-BOSSER,M.JEBBAR,L.SCHMITT,E.BREMER . 258 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.3 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 . 1 0.4 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 2 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 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 PARALLEL BRIDGES PER LADDER . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 A R 0 0 198 0, 0.0 4,-0.1 0, 0.0 209,-0.0 0.000 360.0 360.0 360.0 8.8 26.3 46.7 21.8 2 1 A D > + 0 0 88 209,-0.1 3,-0.9 211,-0.0 212,-0.3 0.598 360.0 0.6-113.5 -94.1 23.1 46.1 19.7 3 2 A E T 3 S+ 0 0 113 1,-0.2 3,-0.3 2,-0.1 208,-0.0 0.785 136.6 52.6 -70.6 -28.3 23.4 45.5 16.0 4 3 A N T 3> S+ 0 0 71 1,-0.2 4,-1.4 2,-0.1 -1,-0.2 -0.124 73.3 118.1 -99.1 35.3 27.2 45.8 16.2 5 4 A K H <> S+ 0 0 12 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.909 71.0 52.7 -69.4 -44.9 27.6 43.2 19.1 6 5 A L H > S+ 0 0 29 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.912 106.8 54.0 -57.7 -46.1 29.7 40.7 17.2 7 6 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 110.0 46.8 -54.6 -47.0 32.2 43.4 16.2 8 7 A E H X S+ 0 0 60 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.843 110.5 51.9 -65.6 -38.0 32.6 44.4 19.9 9 8 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 5,-0.4 0.830 109.4 51.3 -67.5 -33.8 33.1 40.8 21.0 10 9 A K H < S+ 0 0 94 -4,-2.1 42,-0.3 2,-0.2 -2,-0.2 0.936 113.9 41.7 -66.3 -48.5 35.8 40.4 18.4 11 10 A E H < S+ 0 0 163 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.604 114.7 53.4 -77.7 -11.7 37.7 43.5 19.5 12 11 A Q H < S- 0 0 84 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.770 103.1-137.7 -85.3 -34.1 37.0 42.4 23.2 13 12 A G < + 0 0 27 -4,-1.8 40,-1.2 -5,-0.1 2,-0.3 0.216 69.1 50.8 98.5 -13.2 38.5 39.0 22.4 14 13 A F E -a 53 0A 55 -5,-0.4 2,-0.4 38,-0.2 40,-0.2 -0.982 64.5-135.3-151.4 159.6 35.9 36.9 24.3 15 14 A A E -a 54 0A 0 38,-1.6 40,-2.8 -2,-0.3 2,-0.6 -0.952 25.4-126.2-116.5 141.4 32.2 36.3 24.9 16 15 A R E -a 55 0A 102 -2,-0.4 58,-2.0 38,-0.2 59,-1.5 -0.767 31.7-172.7 -87.4 121.5 30.6 35.9 28.3 17 16 A I E -ab 56 75A 0 38,-2.6 40,-2.6 -2,-0.6 2,-0.5 -0.908 17.4-136.2-118.5 145.2 28.6 32.6 28.6 18 17 A A E +ab 57 76A 0 57,-1.7 59,-1.7 -2,-0.4 2,-0.3 -0.878 30.7 163.7-103.5 129.9 26.3 31.4 31.3 19 18 A I E -a 58 0A 0 38,-3.3 40,-1.9 -2,-0.5 59,-0.1 -0.857 32.6-152.4-135.9 166.9 26.5 27.7 32.5 20 19 A A - 0 0 14 -2,-0.3 38,-0.1 38,-0.2 41,-0.1 0.475 44.3-113.9-119.0 -7.9 25.3 25.7 35.5 21 20 A N + 0 0 59 1,-0.2 134,-0.3 6,-0.1 6,-0.2 0.992 62.1 144.5 63.4 69.7 28.0 22.9 35.7 22 21 A E >> - 0 0 15 132,-0.1 3,-1.9 56,-0.1 4,-1.5 -0.812 48.2-108.1-137.4 91.3 25.8 19.8 34.9 23 22 A P T 34 S+ 0 0 40 0, 0.0 157,-0.2 0, 0.0 156,-0.2 -0.369 95.6 19.4 -64.7 144.3 27.6 17.2 32.8 24 23 A P T 34 S+ 0 0 12 0, 0.0 13,-2.6 0, 0.0 14,-0.2 -0.948 129.6 48.5 -96.1 18.8 27.3 16.3 30.1 25 24 A F T <4 S- 0 0 0 -3,-1.9 13,-2.1 1,-0.3 2,-0.3 0.949 130.5 -1.3 -72.0 -52.7 25.6 19.7 29.2 26 25 A T S < S+ 0 0 0 -4,-1.5 -1,-0.3 10,-0.2 2,-0.3 -0.967 70.6 178.7-137.0 152.6 28.3 21.8 31.0 27 26 A A E -E 35 0B 18 8,-2.1 8,-2.1 -2,-0.3 2,-0.4 -0.991 15.7-161.4-153.7 148.0 31.4 20.9 32.9 28 27 A V E -E 34 0B 50 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.970 16.7-151.7-131.9 117.6 34.3 22.5 34.8 29 28 A G > - 0 0 33 4,-1.9 3,-1.3 -2,-0.4 -2,-0.0 -0.387 34.3-104.8 -77.6 163.6 37.5 20.6 35.5 30 29 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.749 123.1 65.4 -57.8 -27.0 39.8 21.3 38.5 31 30 A D T 3 S- 0 0 143 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.847 116.9-116.9 -58.7 -38.3 42.0 22.9 35.9 32 31 A G < + 0 0 46 -3,-1.3 -2,-0.1 1,-0.4 2,-0.1 0.180 66.6 142.3 113.2 -12.9 39.3 25.5 35.3 33 32 A K - 0 0 127 1,-0.1 -4,-1.9 -5,-0.1 2,-0.7 -0.348 47.4-135.2 -62.2 135.7 38.6 24.5 31.7 34 33 A V E +E 28 0B 22 -6,-0.2 -6,-0.2 20,-0.1 2,-0.2 -0.869 39.1 152.9 -97.0 116.7 35.0 24.7 30.7 35 34 A S E +E 27 0B 18 -8,-2.1 -8,-2.1 -2,-0.7 3,-0.1 -0.452 10.4 110.2-122.7-157.9 33.8 21.7 28.7 36 35 A G S > S- 0 0 0 -10,-0.3 4,-1.9 -2,-0.2 -11,-0.2 -0.168 80.1 -75.0 98.5 159.2 30.6 19.9 28.1 37 36 A A H > S+ 0 0 0 -13,-2.6 4,-1.9 1,-0.2 5,-0.2 0.867 126.0 48.1 -59.9 -43.7 28.5 19.8 25.0 38 37 A A H > S+ 0 0 5 -13,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.937 114.6 42.2 -68.3 -50.8 27.0 23.3 25.1 39 38 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.825 112.9 54.8 -64.4 -33.6 30.2 25.3 25.8 40 39 A D H X S+ 0 0 46 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.923 112.6 42.3 -64.6 -46.6 32.2 23.2 23.3 41 40 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.947 117.9 46.5 -61.4 -49.7 29.7 24.1 20.5 42 41 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.912 113.2 50.3 -58.5 -44.4 29.5 27.7 21.7 43 42 A R H X S+ 0 0 75 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.924 111.4 47.3 -60.0 -50.3 33.3 27.8 21.9 44 43 A E H X S+ 0 0 41 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.925 114.2 46.7 -58.5 -48.1 33.8 26.4 18.4 45 44 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.927 111.6 49.1 -64.1 -47.6 31.2 28.8 16.8 46 45 A F H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-0.4 0.934 109.0 54.9 -57.0 -47.2 32.5 32.0 18.5 47 46 A K H ><5S+ 0 0 132 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.911 107.8 49.2 -46.2 -50.8 36.0 31.0 17.4 48 47 A R H 3<5S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.3 55.4 -62.8 -29.6 34.7 30.8 13.8 49 48 A L T 3<5S- 0 0 20 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.406 127.0-100.0 -83.7 1.6 33.0 34.3 14.3 50 49 A G T < 5S+ 0 0 43 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.573 83.1 132.7 89.7 12.1 36.5 35.7 15.3 51 50 A V < - 0 0 2 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.876 46.4-154.3 -99.5 109.2 35.8 35.6 19.0 52 51 A A - 0 0 81 -2,-0.7 2,-0.3 -42,-0.3 -38,-0.2 0.718 60.9 -7.0 -63.6 -34.3 39.0 34.1 20.5 53 52 A D E -a 14 0A 80 -40,-1.2 -38,-1.6 -7,-0.1 2,-0.4 -0.941 60.5-117.6-152.4 172.3 37.6 32.5 23.7 54 53 A V E -a 15 0A 11 -2,-0.3 2,-0.6 -40,-0.2 -38,-0.2 -0.962 13.8-153.3-117.7 139.0 34.6 32.2 26.0 55 54 A V E -a 16 0A 63 -40,-2.8 -38,-2.6 -2,-0.4 2,-0.3 -0.966 23.5-151.1-110.6 119.0 34.5 33.4 29.7 56 55 A A E -a 17 0A 32 -2,-0.6 2,-0.4 -40,-0.2 -38,-0.2 -0.660 12.5-161.1-100.1 143.9 32.0 31.3 31.6 57 56 A S E -a 18 0A 39 -40,-2.6 -38,-3.3 -2,-0.3 2,-0.5 -0.979 13.2-142.1-118.2 135.1 29.8 32.1 34.7 58 57 A I E +a 19 0A 104 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.827 38.4 139.2 -92.5 130.3 28.2 29.4 36.9 59 58 A S - 0 0 34 -40,-1.9 2,-0.1 -2,-0.5 5,-0.0 -0.939 54.3 -85.0-152.5 172.4 24.8 30.2 38.2 60 59 A E > - 0 0 92 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.476 46.5-105.4 -80.6 158.5 21.5 28.3 38.8 61 60 A Y G >> S+ 0 0 11 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.772 115.4 58.6 -58.7 -32.6 19.1 27.9 35.9 62 61 A G G 34 S+ 0 0 40 69,-1.6 -1,-0.3 1,-0.2 70,-0.1 0.636 102.8 53.2 -74.5 -15.8 16.6 30.5 37.2 63 62 A A G <> S+ 0 0 53 -3,-1.6 4,-2.0 68,-0.2 -1,-0.2 0.506 90.2 82.0 -92.0 -6.8 19.2 33.3 37.2 64 63 A M H <> S+ 0 0 1 -3,-0.9 4,-2.0 -4,-0.4 -2,-0.1 0.944 91.6 40.3 -71.7 -54.5 20.3 32.9 33.6 65 64 A I H X S+ 0 0 24 -4,-0.5 4,-2.8 2,-0.2 5,-0.3 0.948 117.1 50.4 -61.7 -48.6 17.6 34.7 31.6 66 65 A P H > S+ 0 0 63 0, 0.0 4,-1.5 0, 0.0 -2,-0.2 0.898 111.4 49.7 -52.5 -42.8 17.5 37.6 34.2 67 66 A G H <>S+ 0 0 2 -4,-2.0 5,-2.6 2,-0.2 6,-0.6 0.858 111.8 48.6 -64.5 -37.3 21.3 37.8 34.0 68 67 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.5 3,-0.2 -1,-0.2 0.940 111.1 47.9 -67.6 -49.3 21.2 37.9 30.2 69 68 A Q H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.739 108.8 55.8 -63.9 -26.3 18.5 40.6 30.0 70 69 A A T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.504 117.4-117.2 -83.0 -7.1 20.5 42.7 32.6 71 70 A G T < 5S+ 0 0 42 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.715 77.0 127.6 80.9 24.2 23.4 42.5 30.2 72 71 A R S > - 0 0 21 -2,-0.3 4,-3.4 1,-0.1 3,-0.7 -0.984 47.8-112.3-138.0 146.0 10.0 26.8 26.1 84 83 A P H 3> S+ 0 0 47 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.881 119.0 46.3 -41.6 -53.4 7.3 29.3 24.8 85 84 A E H 34 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.2 169,-0.0 0.780 115.4 45.6 -66.7 -32.4 7.8 31.6 27.8 86 85 A R H X> S+ 0 0 14 -3,-0.7 3,-1.3 2,-0.2 4,-1.3 0.872 109.3 56.4 -72.3 -42.3 11.6 31.4 27.6 87 86 A a H 3< S+ 0 0 17 -4,-3.4 -2,-0.2 1,-0.3 5,-0.2 0.799 103.2 55.0 -58.4 -33.2 11.4 32.0 23.8 88 87 A A T 3< S+ 0 0 77 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.651 111.3 45.3 -73.2 -17.5 9.4 35.2 24.4 89 88 A A T <4 S+ 0 0 25 -3,-1.3 120,-0.4 -4,-0.3 2,-0.3 0.631 118.5 28.3-102.0 -19.6 12.2 36.5 26.7 90 89 A V S < S- 0 0 2 -4,-1.3 2,-0.8 118,-0.1 118,-0.2 -0.872 75.6-111.1-136.9 167.8 15.3 35.7 24.7 91 90 A A E -D 207 0A 7 116,-3.6 116,-2.1 -2,-0.3 2,-0.1 -0.881 42.7-159.4-102.9 99.7 16.6 35.2 21.1 92 91 A Y E -D 206 0A 2 -2,-0.8 114,-0.2 114,-0.2 2,-0.1 -0.431 10.4-132.1 -78.1 150.7 17.3 31.5 20.8 93 92 A S - 0 0 0 112,-1.8 3,-0.1 1,-0.2 -1,-0.1 -0.273 47.1 -75.6 -77.1 178.9 19.6 29.9 18.2 94 93 A Q S S- 0 0 53 1,-0.2 111,-0.4 -2,-0.1 -1,-0.2 -0.270 75.9 -61.8 -67.9 167.3 18.3 26.8 16.3 95 94 A P + 0 0 0 0, 0.0 109,-0.2 0, 0.0 -1,-0.2 -0.179 60.2 156.4 -61.2 147.3 18.3 23.5 18.3 96 95 A I + 0 0 6 107,-1.8 2,-0.6 1,-0.2 149,-0.2 0.570 60.1 34.5-131.5 -65.8 21.5 22.1 19.7 97 96 A L - 0 0 0 106,-0.1 106,-2.1 148,-0.1 2,-0.4 -0.902 64.0-173.4-113.1 113.3 21.2 19.7 22.7 98 97 A b E +G 202 0D 11 -2,-0.6 143,-0.4 143,-0.3 2,-0.3 -0.823 14.2 149.8-105.6 141.7 18.1 17.5 23.0 99 98 A D E -G 201 0D 21 102,-2.9 102,-2.5 -2,-0.4 2,-0.1 -0.987 34.8-128.0-161.6 158.7 17.2 15.2 25.9 100 99 A A - 0 0 19 -2,-0.3 74,-1.6 100,-0.2 2,-0.3 -0.376 40.6 -95.1 -93.7-177.4 14.3 13.7 27.8 101 100 A E E -H 173 0E 1 72,-0.3 94,-2.9 98,-0.3 2,-0.3 -0.783 38.6-166.8-105.0 148.1 13.7 13.9 31.6 102 101 A A E -H 172 0E 0 70,-3.2 70,-0.9 -2,-0.3 2,-0.4 -0.892 14.8-133.6-133.6 160.0 14.9 11.4 34.2 103 102 A F E -HI 171 192E 0 89,-2.7 89,-2.5 -2,-0.3 2,-0.5 -0.944 5.2-153.1-111.6 133.7 14.4 10.4 37.9 104 103 A A E +HI 170 191E 0 66,-3.2 66,-2.2 -2,-0.4 2,-0.3 -0.946 38.7 169.7 -98.0 129.9 17.1 9.5 40.4 105 104 A L E -HI 169 190E 2 85,-2.7 85,-3.1 -2,-0.5 64,-0.1 -0.922 39.9 -86.5-147.4 153.5 15.4 7.2 42.8 106 105 A K E > - I 0 189E 75 62,-0.6 3,-2.3 -2,-0.3 83,-0.2 -0.434 64.3 -86.7 -64.2 142.3 15.8 4.8 45.7 107 106 A K T 3 S+ 0 0 144 81,-2.8 -1,-0.1 1,-0.3 83,-0.1 -0.236 116.5 17.7 -55.8 132.4 16.5 1.2 44.6 108 107 A G T 3 S- 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.289 109.1-109.0 84.8 -8.5 13.3 -0.8 43.9 109 108 A N X - 0 0 20 -3,-2.3 3,-1.7 1,-0.1 -1,-0.2 0.959 39.2-166.8 48.0 70.1 11.4 2.5 43.7 110 109 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.763 82.9 46.7 -61.0 -28.7 9.4 2.1 47.0 111 110 A L T 3 S- 0 0 67 57,-0.1 -2,-0.1 -5,-0.1 14,-0.1 0.454 106.8-122.3 -93.6 -2.5 7.0 4.9 46.2 112 111 A G < + 0 0 36 -3,-1.7 2,-0.7 1,-0.2 -3,-0.1 0.912 45.0 174.9 61.9 44.6 6.2 3.8 42.6 113 112 A L + 0 0 2 1,-0.2 -1,-0.2 55,-0.1 3,-0.1 -0.766 21.8 137.1 -90.2 110.9 7.3 7.1 41.2 114 113 A K + 0 0 123 -2,-0.7 82,-2.4 1,-0.3 2,-0.3 0.490 66.6 29.8-128.9 -19.4 7.2 7.0 37.4 115 114 A S B > S-l 196 0F 21 80,-0.2 4,-0.9 82,-0.1 -1,-0.3 -0.897 81.2-110.3-135.4 167.4 5.6 10.3 36.4 116 115 A Y H > S+ 0 0 10 80,-0.6 4,-1.8 -2,-0.3 3,-0.1 0.803 119.1 61.7 -67.1 -27.9 5.5 13.8 37.9 117 116 A K H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 95.6 58.9 -63.0 -41.7 1.8 13.1 38.6 118 117 A D H 4 S+ 0 0 49 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.851 105.8 49.5 -54.2 -40.0 2.8 10.2 40.9 119 118 A I H >< S+ 0 0 0 -4,-0.9 3,-1.0 1,-0.2 6,-0.3 0.927 111.1 49.3 -64.0 -45.8 4.8 12.7 43.0 120 119 A A H 3< S+ 0 0 15 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.869 108.3 53.6 -60.2 -40.1 1.7 15.0 43.1 121 120 A D T 3< S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.506 100.3 68.0 -77.4 -9.0 -0.6 12.2 44.1 122 121 A N X - 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0 0 46 -134,-0.4 3,-2.2 -2,-0.3 7,-0.2 -0.460 39.3-118.0 -63.8 144.5 19.3 39.1 24.2 209 208 A K G > S+ 0 0 110 -120,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.896 118.1 53.5 -48.8 -45.0 16.4 40.2 21.9 210 209 A G G 3 S+ 0 0 31 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.505 100.9 62.5 -71.7 -5.2 18.5 43.2 20.9 211 210 A D G <> + 0 0 1 -3,-2.2 4,-2.1 1,-0.2 3,-0.4 -0.083 62.4 123.3-108.8 33.1 21.4 40.9 19.9 212 211 A E H <> S+ 0 0 63 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.793 70.1 59.2 -63.3 -31.7 19.4 39.0 17.2 213 212 A A H > S+ 0 0 29 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 106.8 47.0 -65.4 -39.3 22.2 39.9 14.6 214 213 A L H > S+ 0 0 2 -3,-0.4 4,-2.5 -212,-0.3 -2,-0.2 0.924 110.7 53.1 -63.0 -47.1 24.7 38.1 16.8 215 214 A R H X S+ 0 0 36 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.897 107.2 52.1 -53.4 -46.0 22.2 35.2 17.1 216 215 A D H X S+ 0 0 69 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.893 110.2 47.8 -56.7 -45.5 21.9 35.1 13.2 217 216 A A H X S+ 0 0 20 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.925 110.9 50.0 -64.4 -47.7 25.7 34.9 12.9 218 217 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.886 111.7 51.2 -53.4 -43.0 26.0 32.1 15.5 219 218 A D H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.796 101.3 59.1 -67.7 -33.5 23.2 30.3 13.6 220 219 A V H X S+ 0 0 81 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.929 112.6 41.0 -61.9 -41.8 25.0 30.6 10.2 221 220 A E H X S+ 0 0 26 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.906 111.2 55.2 -71.9 -44.1 27.9 28.6 11.8 222 221 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 108.4 50.4 -51.3 -46.7 25.6 26.2 13.6 223 222 A A H X S+ 0 0 57 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.857 111.0 47.6 -61.8 -39.5 24.0 25.3 10.3 224 223 A K H X S+ 0 0 108 -4,-1.4 4,-1.8 2,-0.2 6,-0.3 0.841 110.8 52.0 -70.1 -35.6 27.4 24.8 8.6 225 224 A L H X>S+ 0 0 0 -4,-2.6 6,-2.3 2,-0.2 4,-1.3 0.908 112.1 46.7 -63.3 -44.6 28.5 22.6 11.6 226 225 A K H <5S+ 0 0 29 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.892 111.0 51.9 -62.4 -43.9 25.3 20.5 11.1 227 226 A E H <5S+ 0 0 164 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 112.5 43.6 -64.5 -40.7 25.7 20.2 7.4 228 227 A S H <5S- 0 0 88 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.773 110.6-114.2 -77.5 -27.6 29.3 18.9 7.5 229 228 A G T X5S+ 0 0 28 -4,-1.3 4,-1.4 -5,-0.2 -3,-0.2 0.279 87.8 115.7 103.4 -6.1 28.8 16.4 10.4 230 229 A E H > S+ 0 0 0 -6,-2.3 4,-2.1 1,-0.2 3,-0.5 0.937 105.6 47.9 -53.9 -51.6 28.1 19.2 14.9 232 231 A A H > S+ 0 0 18 -7,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.818 107.3 57.2 -58.9 -35.4 27.7 15.4 15.5 233 232 A K H < S+ 0 0 141 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.803 111.1 42.8 -69.4 -30.0 31.4 15.1 16.2 234 233 A I H < S+ 0 0 26 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.907 123.8 30.5 -81.9 -42.9 31.2 17.7 19.0 235 234 A I H ><>S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.1 3,-1.0 0.748 104.9 67.4 -94.8 -25.8 28.0 16.6 20.8 236 235 A E G ><5S+ 0 0 88 -4,-1.9 3,-1.3 1,-0.3 -1,-0.1 0.789 89.2 63.7 -75.5 -29.1 27.7 12.8 20.3 237 236 A P G 3 5S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 103.8 54.3 -58.0 -20.4 30.8 11.8 22.4 238 237 A Y G < 5S- 0 0 63 -3,-1.0 -2,-0.2 -4,-0.1 -3,-0.1 0.546 127.7-102.6 -88.5 -11.4 28.7 13.4 25.2 239 238 A G T < 5S+ 0 0 46 -3,-1.3 -3,-0.2 1,-0.3 2,-0.1 0.356 76.6 134.8 106.8 -3.0 25.7 11.1 24.4 240 239 A F < - 0 0 6 -5,-1.5 2,-0.6 -216,-0.1 -1,-0.3 -0.381 54.3-122.6 -76.9 155.5 23.5 13.6 22.5 241 240 A S > - 0 0 56 -143,-0.4 4,-1.3 1,-0.2 -143,-0.3 -0.887 14.6-167.1-101.3 119.6 21.7 12.9 19.2 242 241 A A H > S+ 0 0 6 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.915 90.3 56.4 -67.4 -42.4 22.6 15.2 16.3 243 242 A K H > S+ 0 0 154 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.849 101.8 55.5 -57.9 -41.3 19.6 13.9 14.3 244 243 A A H >4 S+ 0 0 40 2,-0.2 3,-0.6 1,-0.2 4,-0.4 0.958 111.6 43.4 -55.9 -53.2 17.1 14.8 17.0 245 244 A A H >< S+ 0 0 0 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.875 115.9 48.1 -59.9 -41.4 18.3 18.4 17.0 246 245 A M H 3< S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.639 102.3 66.0 -74.8 -16.4 18.4 18.5 13.1 247 246 A S T << S+ 0 0 72 -4,-1.4 -1,-0.2 -3,-0.6 2,-0.2 0.540 107.0 34.7 -83.1 -8.9 14.9 17.0 13.0 248 247 A T S < S- 0 0 35 -3,-0.9 2,-0.3 -4,-0.4 3,-0.1 -0.723 71.1-131.2-135.1-177.1 13.2 20.0 14.5 249 248 A T > - 0 0 55 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.894 28.6-108.3-134.7 165.7 13.3 23.8 14.7 250 249 A R H > S+ 0 0 65 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.930 118.1 52.7 -54.2 -49.1 13.3 26.8 17.1 251 250 A E H > S+ 0 0 154 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.853 107.2 51.3 -62.3 -37.8 9.8 27.8 16.1 252 251 A K H 4 S+ 0 0 134 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.912 114.8 42.6 -62.1 -44.0 8.4 24.2 16.6 253 252 A L H < S+ 0 0 36 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.774 114.8 50.6 -74.8 -27.6 9.9 24.1 20.2 254 253 A a H < S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.529 89.0 109.6 -85.6 -9.9 8.8 27.7 20.9 255 254 A A S < S- 0 0 41 -4,-0.7 2,-1.8 -3,-0.4 -3,-0.0 -0.401 82.6-110.0 -71.3 143.1 5.2 27.0 19.8 256 255 A A 0 0 97 -2,-0.1 -1,-0.1 -172,-0.1 -2,-0.1 -0.551 360.0 360.0 -74.4 83.1 2.4 26.9 22.3 257 256 A K 0 0 262 -2,-1.8 -2,-0.0 -4,-0.2 -1,-0.0 -0.925 360.0 360.0-111.0 360.0 1.7 23.1 22.2 258 ! 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 0.0 259 501 A X 0 0 0 0, 0.0 -125,-1.1 0, 0.0 -179,-0.2 0.000 360.0 360.0 360.0 360.0 17.0 22.3 32.4