==== 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 26-SEP-05 2B4L . COMPND 2 MOLECULE: GLYCINE BETAINE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR C.HORN,L.SOHN-BOESSER,J.BREED,W.WELTE,L.SCHMITT,E.BREMER . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 10.8 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 . 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 . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 31.0 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 3 0 1 1 2 0 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 . 0 0 1 0 2 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 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 5 A D > 0 0 182 0, 0.0 3,-1.5 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 122.4 21.7 -1.8 -13.7 2 6 A E T 3 + 0 0 215 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.824 360.0 41.0 -59.5 -33.2 18.8 -1.0 -16.1 3 7 A N T 3 S+ 0 0 158 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.057 83.7 150.2-107.2 33.9 16.4 -3.5 -14.5 4 8 A A < - 0 0 27 -3,-1.5 2,-0.0 1,-0.1 0, 0.0 -0.454 38.8-134.5 -73.3 132.7 17.4 -2.8 -10.8 5 9 A S > - 0 0 25 -2,-0.2 4,-2.8 1,-0.1 5,-0.1 -0.207 29.6-101.6 -68.8 169.3 14.7 -3.3 -8.1 6 10 A A H > S+ 0 0 9 259,-0.4 4,-1.7 2,-0.2 6,-0.2 0.945 126.3 50.7 -55.5 -51.0 14.1 -0.8 -5.3 7 11 A A H 4>S+ 0 0 1 258,-0.4 5,-2.7 1,-0.2 4,-0.4 0.933 111.9 47.1 -52.1 -52.8 16.0 -3.0 -3.0 8 12 A E H >45S+ 0 0 104 1,-0.2 3,-1.3 3,-0.2 -1,-0.2 0.924 107.6 57.1 -55.7 -49.0 18.9 -3.2 -5.5 9 13 A Q H 3<5S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 117.0 32.6 -55.4 -37.7 18.9 0.6 -6.0 10 14 A V T ><5S- 0 0 17 -4,-1.7 3,-0.8 -3,-0.4 -1,-0.3 0.269 109.7-118.3-104.5 8.6 19.4 1.5 -2.3 11 15 A N T < 5 - 0 0 129 -3,-1.3 -3,-0.2 -4,-0.4 29,-0.1 0.877 64.2 -67.2 57.5 40.0 21.5 -1.6 -1.6 12 16 A K T 3 - 0 0 31 25,-0.2 3,-1.7 1,-0.1 -1,-0.3 -0.331 62.5-129.6 -60.5 136.0 19.2 7.8 16.9 19 23 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 0.698 103.1 59.0 -67.4 -20.3 19.1 4.1 17.9 20 24 A G T 3 S+ 0 0 24 4,-0.1 -2,-0.1 182,-0.0 2,-0.0 0.511 82.8 109.2 -83.7 -4.2 17.0 4.7 21.1 21 25 A S S <> S- 0 0 2 -3,-1.7 4,-1.2 1,-0.1 3,-0.2 -0.344 74.5-128.3 -71.3 151.1 14.1 6.3 19.1 22 26 A G H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.807 105.4 64.5 -67.5 -32.9 10.9 4.4 18.8 23 27 A I H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 102.0 51.1 -61.8 -33.0 10.8 4.8 15.0 24 28 A M H > S+ 0 0 5 -6,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.916 110.1 48.7 -69.0 -43.1 14.0 2.7 14.8 25 29 A S H X S+ 0 0 66 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.934 113.1 47.5 -56.1 -51.6 12.3 0.0 17.0 26 30 A L H X S+ 0 0 15 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.805 110.8 51.9 -60.1 -36.2 9.2 0.1 14.8 27 31 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.868 105.0 55.3 -68.8 -38.6 11.4 -0.1 11.7 28 32 A D H X S+ 0 0 71 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.920 112.5 44.7 -56.4 -42.2 13.2 -3.2 13.2 29 33 A K H >X S+ 0 0 94 -4,-1.9 4,-2.9 2,-0.2 3,-0.6 0.935 109.6 53.3 -67.8 -50.1 9.7 -4.7 13.4 30 34 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.918 105.8 55.4 -47.6 -45.9 8.6 -3.6 9.9 31 35 A M H 3<>S+ 0 0 17 -4,-2.5 5,-3.7 1,-0.2 -1,-0.2 0.804 111.8 43.1 -64.5 -31.7 11.8 -5.3 8.5 32 36 A K H X<5S+ 0 0 128 -4,-1.0 3,-1.3 -3,-0.6 -1,-0.2 0.888 113.6 51.7 -75.6 -43.2 10.8 -8.6 10.2 33 37 A D H 3<5S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.818 116.1 39.8 -61.5 -35.1 7.1 -8.2 9.1 34 38 A Y T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.129 113.6-113.7-104.0 19.3 8.0 -7.6 5.5 35 39 A D T < 5 + 0 0 98 -3,-1.3 -3,-0.2 1,-0.2 3,-0.2 0.904 69.9 141.2 46.7 50.1 10.8 -10.2 5.4 36 40 A L > < + 0 0 2 -5,-3.7 3,-1.5 -6,-0.2 -1,-0.2 -0.292 17.2 132.1-105.1 42.1 13.5 -7.6 4.9 37 41 A N T 3 + 0 0 112 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.682 64.2 60.3 -77.8 -14.0 15.9 -9.4 7.1 38 42 A D T 3 S+ 0 0 95 -3,-0.2 -1,-0.3 -7,-0.1 2,-0.2 0.256 90.7 102.4 -90.7 12.9 18.8 -9.1 4.7 39 43 A W < - 0 0 20 -3,-1.5 2,-0.5 -8,-0.1 -26,-0.2 -0.551 67.8-133.6 -92.5 160.0 18.5 -5.3 4.9 40 44 A T E -a 13 0A 74 -28,-2.9 -26,-2.8 -2,-0.2 2,-0.6 -0.968 8.9-160.5-116.7 120.9 20.6 -2.9 6.9 41 45 A L E -a 14 0A 27 -2,-0.5 2,-0.7 -28,-0.2 -26,-0.2 -0.928 19.2-143.5 -97.1 116.3 19.1 -0.2 9.1 42 46 A I E -a 15 0A 69 -28,-3.2 -26,-2.2 -2,-0.6 2,-0.3 -0.748 6.4-146.3 -86.5 116.0 21.7 2.5 9.7 43 47 A S + 0 0 70 -2,-0.7 -25,-0.2 -28,-0.1 2,-0.1 -0.599 45.4 123.6 -71.1 141.6 21.6 4.0 13.1 44 48 A A - 0 0 37 -27,-2.7 2,-0.3 -2,-0.3 -27,-0.2 -0.382 55.4 -79.8-159.9-117.4 22.6 7.6 13.1 45 49 A S > - 0 0 49 -29,-0.6 4,-2.3 -27,-0.2 5,-0.2 -0.961 37.8 -95.8-164.3 162.3 20.9 10.9 14.2 46 50 A S H > S+ 0 0 10 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.927 123.1 46.8 -51.6 -49.3 18.3 13.3 13.0 47 51 A A H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 112.7 47.7 -67.8 -39.3 20.9 15.7 11.5 48 52 A A H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.846 110.8 52.8 -68.8 -34.9 22.9 12.9 9.7 49 53 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.940 112.0 44.0 -67.3 -45.2 19.7 11.5 8.3 50 54 A T H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.844 112.9 51.7 -71.0 -31.7 18.7 14.9 6.8 51 55 A A H X S+ 0 0 40 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.929 113.2 45.3 -66.6 -44.0 22.2 15.6 5.5 52 56 A T H X S+ 0 0 48 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.930 111.7 52.6 -61.9 -46.2 22.2 12.2 3.8 53 57 A L H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.924 109.2 50.6 -52.7 -48.5 18.7 12.9 2.5 54 58 A K H X S+ 0 0 90 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 110.1 48.5 -56.4 -47.1 19.9 16.3 1.1 55 59 A K H X S+ 0 0 116 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.929 116.3 41.7 -64.8 -47.0 22.8 14.7 -0.7 56 60 A S H ><>S+ 0 0 13 -4,-2.3 5,-2.7 2,-0.2 3,-0.7 0.949 114.9 51.6 -63.7 -48.2 20.8 11.9 -2.3 57 61 A Y H ><5S+ 0 0 41 -4,-2.9 3,-1.6 -5,-0.3 -2,-0.2 0.906 107.0 51.2 -57.0 -49.7 17.9 14.2 -3.2 58 62 A D H 3<5S+ 0 0 84 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.722 116.4 42.6 -62.4 -23.9 20.0 16.9 -4.9 59 63 A R T <<5S- 0 0 174 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.342 111.8-122.6 -98.4 2.3 21.5 14.1 -7.1 60 64 A K T < 5 + 0 0 150 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.885 56.5 159.5 50.8 44.8 18.1 12.4 -7.5 61 65 A K < - 0 0 122 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.715 48.2-100.6 -92.6 142.3 19.5 9.2 -6.0 62 66 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.400 52.6 164.1 -57.3 136.2 17.3 6.5 -4.6 63 67 A I - 0 0 8 191,-0.1 2,-0.4 -2,-0.1 -49,-0.1 -0.971 26.9-157.7-154.0 145.2 17.1 6.7 -0.8 64 68 A I + 0 0 1 -51,-0.4 -49,-2.9 -2,-0.3 2,-0.3 -0.998 20.9 179.6-123.9 130.5 14.8 5.3 2.0 65 69 A I E -bC 15 252A 1 187,-2.4 187,-2.6 -2,-0.4 2,-1.0 -0.795 38.9-108.9-123.7 161.0 14.7 7.0 5.4 66 70 A T E + C 0 251A 0 -51,-1.9 2,-0.3 -2,-0.3 185,-0.2 -0.863 56.1 179.1 -85.5 102.3 12.9 6.6 8.7 67 71 A G E - C 0 250A 0 183,-2.0 183,-2.3 -2,-1.0 2,-0.3 -0.717 18.2-170.9-110.1 159.0 10.6 9.6 8.4 68 72 A W E - C 0 249A 12 -2,-0.3 181,-0.3 181,-0.2 179,-0.0 -0.958 23.5-108.5-144.7 161.5 7.9 11.2 10.5 69 73 A T E S+ C 0 248A 25 179,-2.5 179,-1.6 -2,-0.3 2,-0.1 -0.932 96.7 56.1-132.8 89.1 5.3 13.9 10.2 70 74 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 106,-0.2 -0.079 84.6 124.2-114.2 127.4 5.5 16.7 11.7 71 75 A H > - 0 0 9 -2,-0.1 3,-1.3 104,-0.1 4,-0.3 -0.908 63.8-131.4-162.5 135.2 8.9 17.4 10.1 72 76 A W T >> S+ 0 0 11 -2,-0.3 4,-2.2 1,-0.2 3,-1.7 0.727 98.1 78.1 -61.0 -24.6 10.2 20.3 8.0 73 77 A M H 3> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.837 86.5 59.6 -58.2 -32.9 11.7 17.9 5.4 74 78 A F H <4 S+ 0 0 57 -3,-1.3 -1,-0.3 1,-0.2 5,-0.3 0.712 109.8 44.3 -66.0 -20.8 8.2 17.3 4.0 75 79 A S H <4 S+ 0 0 90 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.846 117.6 42.6 -85.4 -44.0 8.2 21.1 3.2 76 80 A R H < S+ 0 0 120 -4,-2.2 2,-0.3 2,-0.0 -2,-0.2 0.879 122.3 34.1 -67.8 -41.0 11.7 21.3 1.9 77 81 A Y S < S- 0 0 12 -4,-3.1 2,-1.0 -5,-0.2 -23,-0.0 -0.784 81.1-114.7-120.2 157.5 11.5 18.1 -0.2 78 82 A K + 0 0 140 -2,-0.3 177,-2.8 2,-0.0 178,-0.4 -0.820 56.5 159.5 -89.6 96.6 8.8 16.2 -2.2 79 83 A L E -D 254 0A 10 -2,-1.0 2,-0.3 175,-0.3 173,-0.0 -0.817 23.9-165.3-118.8 161.0 8.6 13.1 -0.1 80 84 A K E -D 253 0A 41 173,-3.0 173,-2.6 -2,-0.3 2,-0.3 -0.986 23.8-114.7-141.7 150.3 6.0 10.3 0.4 81 85 A Y E -D 252 0A 42 -2,-0.3 2,-0.4 171,-0.2 171,-0.2 -0.689 32.0-120.2 -77.9 136.4 5.4 7.5 2.9 82 86 A L - 0 0 6 169,-3.1 169,-0.3 -2,-0.3 180,-0.3 -0.650 42.1-100.1 -69.2 128.9 5.7 3.9 1.6 83 87 A D B -e 262 0B 103 178,-2.8 180,-2.9 -2,-0.4 181,-0.3 -0.236 31.7-157.8 -52.4 142.5 2.3 2.2 2.2 84 88 A D > + 0 0 35 178,-0.2 3,-2.1 1,-0.1 5,-0.1 -0.676 21.4 167.0-128.8 70.3 2.3 -0.0 5.3 85 89 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.781 80.6 54.4 -60.6 -28.5 -0.6 -2.5 4.7 86 90 A K T 3 S- 0 0 101 -3,-0.1 4,-0.0 -56,-0.0 -2,-0.0 0.537 104.2-133.9 -78.5 -6.6 0.7 -4.6 7.6 87 91 A Q X + 0 0 117 -3,-2.1 3,-0.8 1,-0.1 4,-0.1 0.894 47.0 158.6 47.5 45.8 0.5 -1.5 9.9 88 92 A S T 3 S+ 0 0 1 1,-0.2 -58,-0.1 2,-0.1 -59,-0.1 0.823 78.0 46.3 -58.4 -35.4 4.0 -2.3 11.3 89 93 A Y T 3 S- 0 0 5 1,-0.3 -1,-0.2 -5,-0.1 136,-0.1 0.429 110.5-140.5 -88.8 0.4 4.1 1.5 12.3 90 94 A G < - 0 0 26 -3,-0.8 2,-0.3 -6,-0.1 -1,-0.3 -0.310 14.1 -95.1 78.7-160.4 0.6 1.3 13.7 91 95 A S S S+ 0 0 68 1,-0.1 133,-0.1 -3,-0.1 157,-0.0 -0.956 84.2 37.0-152.6 165.1 -2.2 3.9 13.5 92 96 A A S S+ 0 0 84 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.881 71.9 177.7 57.4 46.4 -3.8 6.8 15.4 93 97 A E E +F 247 0C 4 154,-0.6 154,-1.1 -3,-0.1 153,-0.7 -0.518 5.1 178.7 -85.8 151.3 -0.6 8.1 16.7 94 98 A E E -FG 245 222C 59 128,-2.6 128,-2.3 151,-0.2 2,-0.5 -0.904 31.7-114.0-142.8 165.3 -0.3 11.3 18.8 95 99 A I E -FG 244 221C 1 149,-2.4 148,-1.7 -2,-0.3 149,-1.3 -0.949 39.4-161.4-105.8 128.1 2.2 13.5 20.7 96 100 A H E -FG 242 220C 21 124,-3.7 124,-1.3 -2,-0.5 2,-0.6 -0.761 19.0-133.8-114.6 155.9 1.6 13.4 24.4 97 101 A T E -F 241 0C 0 144,-2.5 143,-1.8 -2,-0.3 144,-1.0 -0.943 31.4-174.8-107.9 116.0 2.5 15.6 27.4 98 102 A I E -FG 239 217C 0 119,-2.2 119,-2.5 -2,-0.6 2,-0.3 -0.841 7.0-167.0-116.0 149.1 3.8 13.6 30.3 99 103 A T E -FG 238 216C 0 139,-2.3 139,-2.5 -2,-0.3 117,-0.3 -0.910 33.0 -94.0-126.9 160.2 4.8 14.5 33.9 100 104 A R E > -F 237 0C 35 115,-2.6 3,-1.7 -2,-0.3 4,-0.3 -0.338 65.5 -80.1 -60.1 153.8 6.6 12.9 36.8 101 105 A K T 3 S+ 0 0 108 135,-0.6 -1,-0.1 108,-0.4 135,-0.0 -0.305 116.0 20.0 -63.5 141.1 4.1 11.3 39.1 102 106 A G T >> S+ 0 0 11 -3,-0.1 4,-2.5 4,-0.0 3,-0.5 0.233 86.0 117.8 86.8 -12.4 2.4 13.7 41.6 103 107 A F H <> + 0 0 0 -3,-1.7 4,-3.8 1,-0.2 8,-0.3 0.844 68.4 58.4 -57.5 -38.4 3.1 16.8 39.5 104 108 A S H 34 S+ 0 0 47 -4,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.874 116.9 32.2 -64.2 -40.0 -0.6 17.6 38.8 105 109 A K H <4 S+ 0 0 171 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.790 122.4 51.4 -82.8 -29.3 -1.4 17.9 42.6 106 110 A E H < S+ 0 0 121 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.950 131.1 12.3 -70.8 -52.6 2.1 19.2 43.4 107 111 A Q S X S+ 0 0 44 -4,-3.8 4,-2.1 -5,-0.2 -1,-0.2 -0.647 73.9 166.9-127.4 72.4 2.2 22.0 40.8 108 112 A P H > S+ 0 0 79 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.747 71.9 57.5 -67.5 -24.8 -1.4 22.3 39.6 109 113 A N H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.945 111.3 40.5 -68.5 -49.6 -1.0 25.6 37.8 110 114 A A H > S+ 0 0 0 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.860 112.8 56.6 -67.1 -38.3 1.8 24.4 35.5 111 115 A A H X S+ 0 0 6 -4,-2.1 4,-2.4 -8,-0.3 -1,-0.2 0.874 105.6 51.4 -59.6 -39.1 -0.1 21.1 35.0 112 116 A K H X S+ 0 0 94 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.919 110.8 48.0 -65.5 -43.5 -3.1 23.0 33.8 113 117 A L H >< S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 4,-0.5 0.954 113.6 46.9 -58.4 -52.6 -1.0 24.9 31.2 114 118 A L H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.853 109.4 53.5 -61.9 -38.3 0.6 21.7 30.0 115 119 A S H 3< S+ 0 0 49 -4,-2.4 127,-0.4 1,-0.2 -1,-0.3 0.759 110.4 48.4 -66.9 -25.6 -2.7 19.8 29.7 116 120 A Q T << S+ 0 0 57 -4,-1.2 2,-0.6 -3,-0.7 -1,-0.2 0.396 82.1 115.9 -97.6 -0.8 -4.1 22.7 27.6 117 121 A F < + 0 0 0 -3,-0.8 2,-0.3 -4,-0.5 125,-0.1 -0.618 37.1 145.7 -70.8 114.2 -1.0 22.8 25.2 118 122 A K + 0 0 136 -2,-0.6 2,-0.3 33,-0.1 126,-0.2 -0.986 11.6 154.7-148.0 148.8 -2.1 21.8 21.7 119 123 A W - 0 0 11 124,-2.6 126,-0.2 -2,-0.3 2,-0.2 -0.977 33.0 -99.7-165.8 170.9 -1.1 22.8 18.1 120 124 A T > - 0 0 57 -2,-0.3 4,-2.7 124,-0.1 5,-0.3 -0.495 31.0-109.0-101.8 166.3 -1.0 21.7 14.5 121 125 A Q H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.876 120.0 49.5 -56.9 -42.8 1.6 20.3 12.2 122 126 A D H > S+ 0 0 120 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.837 110.3 51.1 -67.6 -34.2 1.7 23.5 10.2 123 127 A E H > S+ 0 0 41 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.942 113.2 43.5 -68.5 -48.4 2.1 25.6 13.4 124 128 A M H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.920 109.4 60.5 -58.0 -40.7 5.0 23.4 14.6 125 129 A G H X S+ 0 0 8 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.846 95.4 61.8 -54.3 -40.2 6.3 23.6 11.0 126 130 A E H X S+ 0 0 35 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.960 111.2 38.0 -50.5 -55.3 6.6 27.4 11.4 127 131 A I H X S+ 0 0 1 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.946 114.9 52.6 -64.4 -49.1 9.1 27.0 14.2 128 132 A M H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.878 108.9 49.7 -58.6 -42.7 11.0 24.0 12.7 129 133 A I H X S+ 0 0 59 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.914 112.0 47.4 -61.0 -48.0 11.6 25.7 9.3 130 134 A K H <>S+ 0 0 53 -4,-1.5 5,-2.0 -5,-0.3 -1,-0.2 0.857 112.5 51.0 -65.7 -33.8 12.9 28.8 11.0 131 135 A V H ><5S+ 0 0 35 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.919 109.5 48.1 -70.1 -41.9 15.2 26.7 13.3 132 136 A E H 3<5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.830 104.2 61.4 -70.0 -27.8 16.7 24.7 10.4 133 137 A E T 3<5S- 0 0 146 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.483 131.8 -90.7 -72.9 -7.0 17.4 27.9 8.5 134 138 A G T < 5S+ 0 0 59 -3,-1.4 -3,-0.2 1,-0.4 2,-0.2 0.393 81.4 132.0 120.8 -2.7 19.6 28.9 11.4 135 139 A E < - 0 0 78 -5,-2.0 -1,-0.4 1,-0.1 -2,-0.0 -0.521 63.2-104.3 -76.8 149.7 17.6 30.9 14.0 136 140 A K > - 0 0 138 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.512 23.5-126.7 -72.4 135.8 17.9 29.8 17.6 137 141 A P H > S+ 0 0 23 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.901 108.8 55.7 -50.2 -44.5 14.9 27.8 19.0 138 142 A A H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.891 111.0 43.2 -55.6 -43.1 14.5 30.3 21.9 139 143 A K H > S+ 0 0 151 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.909 113.0 51.4 -74.8 -38.2 14.3 33.3 19.6 140 144 A V H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.905 110.0 50.5 -62.9 -42.7 11.9 31.5 17.2 141 145 A A H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.893 107.4 53.9 -58.0 -43.0 9.6 30.5 20.1 142 146 A A H X S+ 0 0 30 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.880 109.3 48.6 -61.1 -40.5 9.6 34.1 21.3 143 147 A E H X S+ 0 0 93 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.893 110.4 52.7 -62.5 -42.1 8.5 35.2 17.8 144 148 A Y H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.906 106.5 49.4 -63.4 -46.6 5.8 32.5 17.9 145 149 A V H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 7,-0.2 0.850 116.1 45.0 -64.8 -33.1 4.2 33.5 21.2 146 150 A N H < S+ 0 0 99 -4,-1.3 3,-0.3 -5,-0.2 -2,-0.2 0.869 116.2 45.0 -73.7 -40.0 4.0 37.1 20.0 147 151 A K H < S+ 0 0 133 -4,-2.5 2,-0.8 1,-0.2 -2,-0.2 0.875 116.0 48.0 -70.7 -37.8 2.7 36.1 16.5 148 152 A H X + 0 0 38 -4,-3.0 4,-1.5 -5,-0.2 -1,-0.2 -0.672 65.0 149.7-110.2 77.3 0.1 33.7 18.0 149 153 A K H > S+ 0 0 125 -2,-0.8 4,-2.2 -3,-0.3 -1,-0.2 0.930 70.1 51.0 -74.6 -49.8 -1.6 35.6 20.7 150 154 A D H > S+ 0 0 138 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.825 111.2 49.6 -61.7 -34.7 -5.0 34.0 20.6 151 155 A Q H >> S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.933 108.9 50.7 -68.3 -47.6 -3.5 30.5 20.8 152 156 A I H 3X S+ 0 0 28 -4,-1.5 4,-2.5 1,-0.3 -2,-0.2 0.871 107.6 54.7 -61.2 -34.9 -1.3 31.3 23.8 153 157 A A H 3< S+ 0 0 54 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.814 106.2 53.0 -64.2 -32.2 -4.4 32.7 25.5 154 158 A E H X< S+ 0 0 129 -4,-1.0 3,-1.0 -3,-0.5 -2,-0.2 0.927 110.8 45.6 -65.9 -48.1 -6.1 29.3 24.9 155 159 A W H 3< S+ 0 0 3 -4,-2.2 -39,-0.2 1,-0.2 -2,-0.2 0.919 115.9 45.9 -61.1 -44.2 -3.2 27.5 26.5 156 160 A T T >< S+ 0 0 31 -4,-2.5 3,-3.2 -5,-0.2 2,-0.3 0.356 78.8 141.9 -83.5 5.3 -3.1 29.9 29.5 157 161 A K T < S- 0 0 151 -3,-1.0 3,-0.1 1,-0.3 -3,-0.1 -0.301 85.6 -4.7 -53.4 110.7 -6.9 29.8 29.9 158 162 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 -2,-0.3 -1,-0.3 0.577 106.5 129.1 77.1 10.5 -7.4 29.9 33.7 159 163 A V < - 0 0 11 -3,-3.2 -1,-0.3 -47,-0.1 2,-0.2 -0.837 45.3-148.7 -99.6 136.9 -3.6 29.6 34.3 160 164 A Q - 0 0 133 -2,-0.4 2,-0.1 -3,-0.1 31,-0.0 -0.600 16.2-102.7-105.6 161.9 -2.0 32.2 36.6 161 165 A K - 0 0 164 -2,-0.2 2,-0.3 31,-0.1 31,-0.2 -0.458 36.7-159.5 -75.6 152.1 1.4 33.9 36.9 162 166 A V - 0 0 25 29,-2.3 2,-0.7 -2,-0.1 -1,-0.0 -0.870 22.1-116.2-131.1 168.2 4.0 32.7 39.4 163 167 A K S S- 0 0 202 -2,-0.3 30,-0.1 1,-0.1 29,-0.1 -0.668 83.3 -45.7-110.7 74.5 7.0 34.1 41.2 164 168 A G S S+ 0 0 35 28,-1.8 29,-0.2 -2,-0.7 -1,-0.1 0.560 73.6 174.4 87.7 13.1 10.0 32.0 40.1 165 169 A D - 0 0 63 1,-0.1 29,-2.2 28,-0.1 -1,-0.2 -0.288 31.4-123.7 -57.7 128.9 8.7 28.5 40.4 166 170 A K E +h 194 0C 143 27,-0.2 2,-0.3 29,-0.1 29,-0.2 -0.519 34.4 173.6 -79.0 138.0 11.2 26.0 39.1 167 171 A I E -h 195 0C 2 27,-2.3 29,-2.3 -2,-0.2 2,-0.5 -0.984 17.2-154.9-147.0 139.7 10.3 23.6 36.4 168 172 A N E -h 196 0C 33 -2,-0.3 47,-1.8 27,-0.2 48,-1.7 -0.959 5.6-162.3-120.8 114.2 12.4 21.2 34.4 169 173 A L E -hi 197 216C 3 27,-2.6 29,-2.9 -2,-0.5 2,-0.3 -0.879 8.5-153.3 -98.7 113.6 11.4 20.1 30.9 170 174 A A E +hi 198 217C 0 46,-2.6 48,-0.6 -2,-0.7 49,-0.4 -0.658 25.7 166.4 -79.3 140.8 13.1 16.9 29.7 171 175 A Y E -h 199 0C 34 27,-2.3 29,-2.9 -2,-0.3 2,-0.4 -0.989 33.9-129.5-152.8 163.0 13.3 16.6 25.9 172 176 A V - 0 0 6 -2,-0.3 2,-1.9 27,-0.2 29,-0.1 -0.915 34.5-114.0-112.9 142.3 15.0 14.8 23.0 173 177 A A + 0 0 39 -2,-0.4 2,-0.3 27,-0.3 -127,-0.1 -0.151 65.4 136.0 -78.1 45.1 16.7 16.7 20.2 174 178 A W > - 0 0 13 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.697 67.3-116.9 -78.8 147.4 14.2 15.6 17.5 175 179 A D H > S+ 0 0 29 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.886 114.3 48.8 -55.1 -42.8 13.4 18.7 15.3 176 180 A S H > S+ 0 0 0 -106,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 112.7 46.0 -64.4 -42.4 9.7 18.5 16.3 177 181 A E H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.738 106.0 58.0 -80.3 -25.1 10.4 18.2 20.0 178 182 A I H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.890 110.7 47.1 -64.4 -38.7 13.0 21.0 20.1 179 183 A A H X S+ 0 0 2 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.921 114.8 42.3 -67.6 -49.8 10.1 23.2 18.7 180 184 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.907 115.4 50.6 -66.9 -39.9 7.4 22.1 21.1 181 185 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.933 112.5 44.7 -66.2 -46.1 9.7 22.2 24.1 182 186 A N H X S+ 0 0 21 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.816 112.8 51.5 -67.8 -31.4 11.0 25.7 23.4 183 187 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.939 115.5 40.2 -74.2 -43.5 7.6 27.1 22.7 184 188 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.851 112.8 56.9 -70.4 -36.4 6.0 25.8 25.9 185 189 A G H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.875 107.2 48.8 -58.4 -40.8 9.2 26.7 27.8 186 190 A K H X S+ 0 0 55 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.890 109.2 51.7 -68.5 -40.8 8.8 30.3 26.7 187 191 A V H X S+ 0 0 4 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.948 112.3 46.4 -61.3 -48.1 5.1 30.4 27.7 188 192 A L H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.7 0.905 112.2 51.5 -56.0 -45.2 6.1 29.1 31.1 189 193 A E H ><5S+ 0 0 107 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.904 109.5 49.0 -58.7 -44.7 8.9 31.7 31.2 190 194 A D H 3<5S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.785 106.3 58.1 -65.5 -28.4 6.5 34.5 30.3 191 195 A L H 3<5S- 0 0 17 -4,-1.6 -29,-2.3 -5,-0.2 -1,-0.2 0.640 127.8 -99.4 -76.0 -15.8 4.2 33.1 33.1 192 196 A G T <<5S+ 0 0 29 -3,-1.0 -28,-1.8 -4,-0.7 -3,-0.2 0.372 75.0 141.2 112.4 -1.4 7.1 33.7 35.6 193 197 A Y < - 0 0 11 -5,-2.2 2,-0.8 -29,-0.2 -1,-0.3 -0.388 55.8-125.0 -69.8 145.6 8.5 30.2 35.9 194 198 A E E -h 166 0C 102 -29,-2.2 -27,-2.3 -2,-0.1 2,-0.5 -0.867 39.4-158.5 -86.0 107.7 12.2 29.5 36.2 195 199 A V E -h 167 0C 25 -2,-0.8 2,-0.4 -29,-0.2 -27,-0.2 -0.813 18.6-174.3-103.8 128.3 12.6 27.1 33.2 196 200 A T E -h 168 0C 73 -29,-2.3 -27,-2.6 -2,-0.5 2,-0.6 -0.970 13.1-151.9-111.7 133.6 15.4 24.5 32.7 197 201 A L E -h 169 0C 61 -2,-0.4 2,-0.7 -29,-0.2 -27,-0.2 -0.941 10.3-162.9-106.6 120.0 15.5 22.5 29.5 198 202 A T E -h 170 0C 43 -29,-2.9 -27,-2.3 -2,-0.6 2,-0.4 -0.894 4.8-154.2-110.8 105.1 17.2 19.2 30.0 199 203 A Q E +h 171 0C 124 -2,-0.7 2,-0.3 -29,-0.2 -27,-0.2 -0.648 27.4 156.7 -80.4 126.3 18.3 17.5 26.7 200 204 A V - 0 0 39 -29,-2.9 -27,-0.3 -2,-0.4 3,-0.1 -0.935 40.3 -99.5-142.9 162.4 18.5 13.7 26.9 201 205 A E > - 0 0 144 -2,-0.3 4,-2.0 -29,-0.1 2,-0.4 -0.214 52.1 -85.3 -67.1 168.4 18.4 10.7 24.7 202 206 A A T 4 S+ 0 0 8 2,-0.2 -1,-0.1 1,-0.2 -181,-0.1 -0.711 123.4 35.0 -75.8 133.5 15.4 8.5 24.2 203 207 A G T > S+ 0 0 13 -2,-0.4 4,-2.4 -3,-0.1 3,-0.4 -0.796 116.0 56.0 108.2 -81.3 15.4 6.1 27.0 204 208 A P H > S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.780 101.3 58.6 -49.8 -33.9 16.9 8.7 29.5 205 209 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.940 109.8 42.3 -63.4 -47.8 14.0 11.1 28.8 206 210 A W H > S+ 0 0 0 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.929 114.1 52.2 -62.9 -44.8 11.5 8.5 30.0 207 211 A T H X S+ 0 0 48 -4,-2.4 4,-1.8 1,-0.2 6,-0.3 0.872 107.1 53.5 -58.0 -41.4 13.7 7.5 32.9 208 212 A A H X>S+ 0 0 8 -4,-2.5 5,-1.5 2,-0.2 6,-1.5 0.921 113.3 42.0 -59.5 -48.2 14.0 11.1 34.0 209 213 A I H ><5S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 -108,-0.4 0.938 114.4 52.0 -63.3 -47.6 10.2 11.5 34.1 210 214 A A H 3<5S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.731 117.5 37.7 -65.1 -26.1 9.7 8.1 35.7 211 215 A T H 3<5S- 0 0 98 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.520 110.5-117.8 -99.7 -11.4 12.2 8.9 38.5 212 216 A G T <<5S+ 0 0 33 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.626 76.6 127.9 81.3 14.7 11.2 12.5 38.9 213 217 A S S -G 95 0C 8 -2,-0.6 5,-2.3 -126,-0.2 -126,-0.2 -0.927 33.9-128.6-101.9 114.3 4.9 9.8 20.9 222 226 A L E 5 -G 94 0C 9 -128,-2.3 -128,-2.6 -2,-0.6 -2,-0.0 -0.948 51.8 -10.7-141.2 150.3 2.1 7.5 21.9 223 227 A P T 5S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 -0.998 130.1 23.2 -90.4 -6.7 0.7 4.9 21.8 224 228 A N T > 5S+ 0 0 32 2,-0.1 3,-1.5 -133,-0.1 4,-0.3 0.950 115.4 50.2 -86.2 -54.1 2.9 3.3 19.2 225 229 A T T 3 5S+ 0 0 15 1,-0.3 3,-0.3 2,-0.1 -3,-0.2 0.891 123.5 28.1 -62.2 -45.4 6.3 4.9 18.9 226 230 A H T 3> S+ 0 0 135 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.920 74.7 47.8 -51.4 -50.4 5.2 1.8 23.5 228 232 A A H > S+ 0 0 75 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.860 112.9 47.3 -64.3 -39.8 8.1 -0.0 25.1 229 233 A Y H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.942 113.1 48.4 -66.9 -47.0 9.2 3.0 27.2 230 234 A A H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.2 6,-0.2 0.887 113.1 48.3 -59.6 -41.8 5.6 3.6 28.4 231 235 A A H >< S+ 0 0 69 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.900 109.3 53.0 -66.0 -41.5 5.2 -0.2 29.2 232 236 A K H 3< S+ 0 0 136 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.895 120.9 32.2 -59.9 -41.2 8.6 -0.2 31.1 233 237 A Y T >< S+ 0 0 26 -4,-2.1 3,-2.6 1,-0.2 -1,-0.3 -0.031 82.1 148.9-107.3 30.9 7.5 2.8 33.3 234 238 A K T < S+ 0 0 164 -3,-1.2 3,-0.5 1,-0.3 -1,-0.2 0.770 75.0 25.8 -36.1 -61.0 3.7 1.9 33.3 235 239 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.2 -4,-0.1 0.251 109.2 78.6 -92.1 18.1 2.7 3.2 36.7 236 240 A K S < S+ 0 0 122 -3,-2.6 -135,-0.6 -6,-0.2 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