==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 30-OCT-03 1R9Q . COMPND 2 MOLECULE: GLYCINE BETAINE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.SCHIEFNER,J.BREED,L.BOSSER,S.KNEIP,J.GADE,G.HOLTMANN, . 310 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 2 0 2 1 0 1 1 0 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A A 0 0 152 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.8 17.5 31.7 34.1 2 2 A D - 0 0 119 1,-0.1 33,-0.0 2,-0.1 0, 0.0 -0.236 360.0-116.1 -59.4 126.4 16.6 33.6 37.3 3 3 A L > - 0 0 74 1,-0.1 3,-1.7 2,-0.1 -1,-0.1 -0.311 22.8-118.7 -63.3 143.7 17.8 31.9 40.4 4 4 A P T 3 S+ 0 0 37 0, 0.0 31,-0.2 0, 0.0 -1,-0.1 0.702 107.6 51.6 -63.1 -26.0 15.1 30.8 42.8 5 5 A G T > S+ 0 0 0 29,-2.4 3,-2.1 26,-0.1 32,-0.4 0.312 74.0 139.3 -94.5 5.9 16.0 32.9 45.9 6 6 A K T < S+ 0 0 133 -3,-1.7 30,-0.1 28,-0.3 3,-0.1 -0.290 78.5 4.8 -51.8 124.4 16.1 36.2 43.9 7 7 A G T 3 S+ 0 0 72 28,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.303 102.5 116.6 85.6 -7.8 14.6 39.0 46.1 8 8 A I < - 0 0 58 -3,-2.1 29,-2.7 27,-0.1 2,-0.4 -0.797 54.7-144.7-101.3 132.9 14.1 36.8 49.1 9 9 A T E -a 37 0A 68 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.810 8.3-156.4-103.0 137.5 15.9 37.6 52.4 10 10 A V E -a 38 0A 0 27,-3.1 29,-2.8 -2,-0.4 48,-0.0 -0.937 3.9-162.3-115.6 132.6 17.2 35.0 54.8 11 11 A N - 0 0 54 -2,-0.4 48,-2.7 27,-0.2 49,-0.8 -0.881 12.3-161.0-112.6 97.9 17.9 35.5 58.5 12 12 A P E -b 60 0B 1 0, 0.0 30,-2.1 0, 0.0 2,-0.3 -0.399 3.8-157.9 -71.2 154.0 20.2 32.8 60.0 13 13 A V E +bc 61 42B 6 47,-1.9 49,-0.5 28,-0.2 50,-0.3 -0.991 20.5 154.8-131.4 143.5 20.3 32.3 63.8 14 14 A Q E - c 0 43B 3 28,-2.3 30,-2.2 -2,-0.3 2,-0.1 -0.834 42.8 -92.8-143.1-180.0 23.1 30.7 66.0 15 15 A S - 0 0 2 -2,-0.3 30,-0.2 28,-0.2 5,-0.1 -0.267 45.2 -93.4 -86.6-174.1 24.1 31.1 69.6 16 16 A T S S+ 0 0 79 27,-0.1 2,-0.9 28,-0.1 29,-0.1 0.446 92.3 114.3 -80.9 0.5 26.7 33.5 71.0 17 17 A I > - 0 0 13 1,-0.2 3,-2.1 2,-0.1 -2,-0.2 -0.653 58.2-157.7 -69.7 104.9 29.2 30.6 70.7 18 18 A T G > S+ 0 0 57 -2,-0.9 3,-1.7 1,-0.3 4,-0.4 0.729 86.3 72.7 -59.1 -23.8 31.5 32.1 68.0 19 19 A E G 3 S+ 0 0 27 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.595 88.7 62.6 -71.1 -8.4 32.6 28.6 67.2 20 20 A E G <> S+ 0 0 9 -3,-2.1 4,-1.5 1,-0.1 -1,-0.3 0.527 82.7 82.8 -87.6 -9.4 29.2 28.0 65.5 21 21 A T H <> S+ 0 0 15 -3,-1.7 4,-2.7 1,-0.2 5,-0.3 0.894 80.8 59.2 -69.0 -42.9 29.8 30.8 62.9 22 22 A F H > S+ 0 0 5 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.921 110.2 40.6 -52.0 -53.3 31.9 28.7 60.5 23 23 A Q H > S+ 0 0 4 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.840 114.3 54.2 -71.9 -30.5 29.1 26.1 59.8 24 24 A T H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.929 110.1 45.5 -65.3 -47.1 26.4 28.7 59.8 25 25 A L H X S+ 0 0 16 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.761 103.8 63.8 -69.5 -26.8 28.2 30.8 57.1 26 26 A L H X S+ 0 0 1 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.2 0.957 107.1 43.7 -61.0 -44.9 28.8 27.7 55.1 27 27 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.888 110.5 55.9 -64.5 -39.3 25.1 27.3 54.7 28 28 A S H X S+ 0 0 8 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.909 105.3 51.8 -59.0 -42.7 24.8 31.0 54.0 29 29 A R H X S+ 0 0 71 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.873 109.1 50.4 -62.4 -37.5 27.3 30.7 51.1 30 30 A A H X S+ 0 0 0 -4,-1.5 4,-0.9 1,-0.2 3,-0.2 0.930 109.6 50.0 -68.6 -42.7 25.2 27.9 49.6 31 31 A L H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.4 0.843 105.5 57.5 -65.2 -33.7 22.0 29.9 49.8 32 32 A E H ><5S+ 0 0 79 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.873 102.8 54.2 -64.3 -37.6 23.7 32.8 48.1 33 33 A K H 3<5S+ 0 0 126 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.745 103.9 55.8 -66.7 -24.7 24.5 30.6 45.2 34 34 A L T 3<5S- 0 0 0 -4,-0.9 -29,-2.4 -3,-0.4 -28,-0.3 0.392 127.8-103.2 -85.5 1.6 20.8 29.8 45.0 35 35 A G T < 5S+ 0 0 20 -3,-1.4 -28,-0.4 1,-0.3 -3,-0.2 0.258 73.3 141.1 101.9 -9.1 20.2 33.5 44.7 36 36 A Y < - 0 0 7 -5,-1.9 2,-0.7 -30,-0.1 -1,-0.3 -0.219 53.5-125.3 -65.7 149.5 19.0 34.4 48.2 37 37 A T E -a 9 0A 74 -29,-2.7 -27,-3.1 -32,-0.4 2,-0.6 -0.896 32.1-162.0 -89.8 117.8 20.0 37.5 50.1 38 38 A V E -a 10 0A 20 -2,-0.7 -27,-0.2 -29,-0.2 2,-0.1 -0.909 3.8-152.5-110.3 121.1 21.5 36.3 53.4 39 39 A N - 0 0 72 -29,-2.8 3,-0.1 -2,-0.6 -11,-0.0 -0.412 37.5 -84.3 -77.1 162.8 21.9 38.6 56.4 40 40 A K - 0 0 131 1,-0.1 -1,-0.1 -2,-0.1 -15,-0.0 -0.369 60.3 -91.9 -63.8 146.8 24.5 38.1 59.0 41 41 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -28,-0.2 -0.296 30.9-128.0 -60.9 144.3 23.4 35.6 61.7 42 42 A S E -c 13 0B 63 -30,-2.1 -28,-2.3 -3,-0.1 2,-0.7 -0.795 19.0-145.6 -84.9 139.0 21.7 36.8 64.8 43 43 A E E +c 14 0B 100 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.940 38.7 143.3-112.8 106.0 23.4 35.4 67.9 44 44 A V - 0 0 44 -30,-2.2 -28,-0.1 -2,-0.7 5,-0.1 -0.907 57.9 -70.8-136.8 163.3 20.9 34.7 70.6 45 45 A D > - 0 0 75 -2,-0.3 4,-2.1 -30,-0.2 3,-0.4 -0.270 52.2-113.8 -52.1 143.4 20.2 32.1 73.4 46 46 A Y H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 116.0 51.7 -50.8 -46.8 19.2 28.8 71.8 47 47 A N H > S+ 0 0 77 92,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.886 109.6 49.4 -63.5 -37.4 15.7 28.9 73.2 48 48 A V H > S+ 0 0 70 -3,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.845 108.3 56.0 -66.7 -35.3 15.2 32.4 71.8 49 49 A G H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.942 106.9 48.3 -59.0 -48.8 16.5 31.0 68.5 50 50 A Y H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.847 111.9 47.4 -64.6 -38.6 13.8 28.3 68.4 51 51 A T H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 6,-0.2 0.914 112.7 50.1 -70.3 -40.6 10.9 30.6 69.2 52 52 A S H X>S+ 0 0 32 -4,-2.2 6,-1.8 1,-0.2 5,-1.3 0.888 111.3 49.1 -61.4 -39.6 12.1 33.1 66.5 53 53 A L H <5S+ 0 0 0 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.899 110.2 50.9 -64.5 -41.5 12.4 30.2 64.0 54 54 A A H <5S+ 0 0 18 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.844 112.5 46.6 -68.0 -31.8 8.8 29.1 64.9 55 55 A S H <5S- 0 0 74 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.706 113.6-114.5 -81.5 -22.7 7.4 32.6 64.4 56 56 A G T <5S+ 0 0 42 -4,-1.3 -3,-0.2 2,-0.2 -4,-0.1 0.447 87.3 114.3 97.5 1.8 9.2 33.2 61.1 57 57 A D S - D 0 236B 3 -2,-0.7 4,-1.8 171,-0.2 171,-0.2 -0.790 7.0-123.7 -96.1 138.7 21.7 19.4 68.5 66 66 A T E 4 S+ D 0 235B 38 169,-2.4 169,-1.7 -2,-0.4 -2,-0.0 -0.993 89.3 0.6-115.7 129.5 20.1 15.9 69.0 67 67 A P T >4 S+ 0 0 30 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.997 126.1 61.7 -96.0 -0.6 19.4 14.9 71.7 68 68 A L T 34 S+ 0 0 17 1,-0.3 4,-0.2 2,-0.1 -2,-0.2 0.700 111.7 40.3 -60.7 -25.6 20.5 18.0 73.8 69 69 A H T 3X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.1 -1,-0.3 0.393 83.9 102.8 -99.5 1.1 18.0 20.3 72.1 70 70 A D H <> S+ 0 0 53 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.898 81.9 49.7 -55.9 -44.7 15.0 17.9 71.9 71 71 A N H > S+ 0 0 88 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.894 114.8 42.9 -63.7 -40.0 13.2 19.5 74.8 72 72 A M H > S+ 0 0 26 -3,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.840 114.1 53.0 -72.1 -33.9 13.5 23.0 73.4 73 73 A Y H <>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 4,-0.3 0.949 113.5 40.9 -65.1 -52.1 12.6 21.8 69.9 74 74 A E H ><5S+ 0 0 119 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.936 112.4 55.8 -62.4 -48.5 9.4 20.1 71.0 75 75 A A H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.831 105.7 51.8 -53.4 -36.4 8.4 22.9 73.4 76 76 A A T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.473 139.2 -71.8 -84.9 -2.2 8.6 25.5 70.5 77 77 A G T X 5 - 0 0 29 -3,-1.8 3,-1.3 -4,-0.3 4,-0.3 0.176 60.2-149.6 137.1 -20.5 6.3 23.5 68.2 78 78 A G G >> - H 0 203C 3 84,-1.1 4,-2.1 -2,-0.3 104,-0.3 -0.335 34.7-131.4 -63.0 141.9 43.1 14.8 84.3 100 100 A K H > S+ 0 0 66 102,-2.5 4,-2.7 2,-0.2 5,-0.2 0.828 103.0 61.9 -63.6 -35.4 44.8 11.5 83.5 101 101 A K H > S+ 0 0 126 101,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.954 110.9 38.4 -57.1 -51.5 47.5 11.9 86.3 102 102 A T H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 6,-0.3 0.900 114.6 54.5 -66.6 -43.5 44.8 11.9 89.0 103 103 A A H X>S+ 0 0 6 -4,-2.1 5,-1.5 1,-0.2 4,-0.7 0.904 111.5 44.8 -56.8 -43.0 42.7 9.2 87.2 104 104 A D H <5S+ 0 0 85 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.872 113.3 50.2 -71.7 -37.6 45.7 6.8 87.1 105 105 A Q H <5S+ 0 0 114 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.922 123.7 27.1 -67.0 -48.3 46.8 7.5 90.7 106 106 A Y H <5S- 0 0 113 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.311 105.8-120.6-101.5 5.9 43.5 6.9 92.4 107 107 A K T <5 + 0 0 161 -4,-0.7 2,-0.6 -5,-0.2 -3,-0.2 0.905 47.1 172.0 53.7 51.6 42.1 4.5 89.7 108 108 A I < + 0 0 4 -5,-1.5 -1,-0.2 -6,-0.3 -10,-0.1 -0.819 18.0 144.7 -94.1 114.5 39.0 6.7 88.9 109 109 A T + 0 0 91 -2,-0.6 98,-2.5 1,-0.2 2,-0.4 0.455 60.9 52.2-120.5 -12.1 37.1 5.5 85.8 110 110 A N B > S-l 207 0D 34 96,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.991 70.6-135.0-135.5 136.5 33.5 6.3 86.8 111 111 A I G > S+ 0 0 0 96,-2.7 3,-2.0 -2,-0.4 97,-0.1 0.765 101.5 75.0 -61.3 -27.1 31.9 9.6 88.0 112 112 A A G > S+ 0 0 20 95,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.743 81.2 71.1 -55.8 -24.7 30.0 7.6 90.6 113 113 A Q G X S+ 0 0 68 -3,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.713 79.9 74.5 -67.0 -20.1 33.4 7.4 92.5 114 114 A L G < S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 17,-0.2 0.479 72.8 83.1 -73.1 -1.5 33.0 11.1 93.3 115 115 A K G < S+ 0 0 106 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.720 73.8 85.6 -64.9 -24.2 30.4 10.1 95.9 116 116 A D S X> S- 0 0 72 -3,-1.5 4,-2.5 -4,-0.2 3,-1.0 -0.744 79.0-147.5 -80.7 115.4 33.4 9.5 98.1 117 117 A P H 3> S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.753 95.6 59.6 -59.9 -26.8 34.2 12.9 99.7 118 118 A K H 34 S+ 0 0 159 2,-0.2 4,-0.5 1,-0.2 -4,-0.1 0.861 110.1 41.2 -64.4 -41.6 37.9 12.1 99.8 119 119 A I H X4 S+ 0 0 24 -3,-1.0 3,-1.1 -6,-0.3 4,-0.4 0.910 114.1 53.3 -70.0 -46.1 38.0 11.7 96.0 120 120 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 12,-0.2 0.847 99.1 63.4 -58.7 -35.4 35.7 14.7 95.5 121 121 A K G >< S+ 0 0 149 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.769 88.0 70.9 -62.7 -28.5 38.0 16.9 97.5 122 122 A L G < S+ 0 0 37 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.799 104.2 41.3 -54.5 -31.4 40.8 16.4 94.9 123 123 A F G < S+ 0 0 2 -3,-1.5 9,-2.0 -4,-0.4 2,-0.5 0.193 84.0 121.6-107.9 9.8 38.8 18.6 92.6 124 124 A D < + 0 0 28 -3,-1.5 7,-0.2 7,-0.2 -3,-0.0 -0.657 27.3 168.8 -76.4 121.1 37.7 21.2 95.1 125 125 A T S S+ 0 0 78 -2,-0.5 -1,-0.1 5,-0.3 6,-0.1 0.587 74.7 43.5-106.0 -18.4 38.9 24.7 93.9 126 126 A N S S- 0 0 98 4,-0.3 -2,-0.1 0, 0.0 -1,-0.0 0.333 106.1-113.7-112.0 6.8 36.9 27.0 96.3 127 127 A G S S+ 0 0 66 3,-0.1 -3,-0.0 -6,-0.1 -6,-0.0 0.493 80.8 117.7 78.2 8.3 37.4 25.1 99.6 128 128 A D S S- 0 0 80 2,-0.2 3,-0.1 1,-0.0 -1,-0.1 0.410 85.4-112.3 -86.2 7.3 33.8 24.0 100.4 129 129 A G S S+ 0 0 35 1,-0.3 2,-0.3 -8,-0.1 -6,-0.1 0.169 82.4 112.5 84.9 -18.1 34.8 20.2 100.2 130 130 A K S S- 0 0 66 -9,-0.1 -4,-0.3 1,-0.1 -5,-0.3 -0.629 75.1-106.8 -91.6 144.3 32.7 19.6 97.0 131 131 A A E -i 159 0C 0 27,-3.4 29,-3.4 -2,-0.3 2,-0.8 -0.500 32.0-133.5 -65.0 134.6 34.2 18.8 93.5 132 132 A D E -i 160 0C 7 -9,-2.0 2,-0.6 -12,-0.2 52,-0.4 -0.826 18.7-163.1-100.8 102.3 34.0 21.8 91.2 133 133 A L E -i 161 0C 0 27,-2.7 29,-2.6 -2,-0.8 2,-0.9 -0.757 17.4-135.8 -84.8 117.7 32.7 20.7 87.7 134 134 A T E +ij 162 185C 7 50,-2.2 52,-2.2 -2,-0.6 29,-0.1 -0.656 48.4 162.9 -71.4 109.2 33.3 23.2 85.0 135 135 A G - 0 0 0 27,-2.5 29,-0.2 -2,-0.9 2,-0.1 -0.226 28.2 -45.6-121.4-154.6 29.9 23.2 83.3 136 136 A a - 0 0 0 6,-0.2 -1,-0.1 27,-0.1 3,-0.1 -0.426 45.1-110.4 -94.5 149.2 27.4 24.7 81.0 137 137 A N > - 0 0 26 26,-0.2 3,-2.1 -2,-0.1 6,-0.3 -0.358 50.3 -86.7 -63.8 147.8 26.1 28.2 80.6 138 138 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.348 118.2 27.8 -51.5 132.0 22.5 29.0 81.5 139 139 A G T 3 S+ 0 0 23 1,-0.4 -92,-0.3 -3,-0.1 2,-0.2 0.152 89.0 122.8 97.1 -19.9 20.3 28.1 78.5 140 140 A W X> - 0 0 16 -3,-2.1 3,-1.1 1,-0.1 4,-0.8 -0.509 69.3-125.7 -72.4 145.8 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-2,-0.1 0.645 74.6 135.4 84.8 18.4 49.7 20.2 88.0 181 181 A K < - 0 0 96 -5,-1.9 -1,-0.3 1,-0.1 2,-0.1 -0.620 61.1 -94.4 -98.1 156.0 46.4 20.3 89.9 182 182 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.427 41.9-165.7 -71.7 145.1 43.4 18.0 89.3 183 183 A V - 0 0 5 -2,-0.1 -84,-1.1 -6,-0.1 2,-0.3 -0.933 13.2-168.6-134.7 156.3 40.6 19.2 87.0 184 184 A F E +G 98 0C 3 -52,-0.4 -50,-2.2 -2,-0.3 2,-0.3 -0.950 24.4 143.3-150.2 117.2 37.1 18.1 86.3 185 185 A Y E -Gj 97 134C 1 -88,-2.1 -88,-3.2 -2,-0.3 2,-0.4 -0.972 41.5-122.7-153.9 158.1 35.0 19.4 83.4 186 186 A Y E +G 96 0C 0 -52,-2.2 2,-0.3 -2,-0.3 -90,-0.2 -0.841 38.0 163.5 -95.5 143.2 32.3 18.7 80.8 187 187 A T E -G 95 0C 0 -92,-2.0 -92,-1.8 -2,-0.4 2,-0.3 -0.953 19.1-154.3-149.6 174.6 33.1 19.3 77.1 188 188 A W E -G 94 0C 5 -2,-0.3 6,-0.3 -94,-0.2 -94,-0.3 -0.945 24.5 -90.3-138.7 163.7 32.0 18.4 73.6 189 189 A T S S+ 0 0 20 -96,-2.7 -96,-0.3 -2,-0.3 74,-0.1 -0.937 97.4 48.5-115.6 148.1 33.3 18.1 70.1 190 190 A P S S+ 0 0 6 0, 0.0 2,-0.3 0, 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-22,-0.1 -135,-0.1 0.234 93.8 65.2 96.5 -13.5 26.4 9.4 79.7 231 231 A F S S- 0 0 13 -137,-0.2 -2,-0.3 -10,-0.2 -137,-0.2 -0.999 74.8-126.0-140.7 143.3 25.6 10.8 76.2 232 232 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -138,-0.1 -0.201 50.8 -75.1 -75.3 172.1 25.0 9.1 72.9 233 233 A V - 0 0 104 -140,-0.1 2,-0.3 1,-0.0 -140,-0.2 -0.583 67.3-146.2 -60.2 127.5 26.9 9.9 69.7 234 234 A S E - F 0 92B 0 -142,-2.1 -142,-2.0 -2,-0.3 -143,-0.3 -0.722 16.6-160.1-109.7 157.7 25.3 13.3 68.9 235 235 A T E -D 66 0B 24 -169,-1.7 -169,-2.4 -2,-0.3 2,-0.4 -0.924 9.9-139.1-132.1 156.9 24.4 15.0 65.7 236 236 A M E -DF 65 89B 3 -147,-2.4 -147,-2.1 -2,-0.3 -148,-1.4 -0.907 21.4-169.7-113.9 151.2 23.6 18.5 64.5 237 237 A H E -D 64 0B 19 -173,-2.1 -173,-1.9 -2,-0.4 2,-0.5 -0.915 27.0-115.7-134.2 157.4 20.9 19.5 62.0 238 238 A I E - 0 0 1 -153,-0.4 -153,-0.5 17,-0.3 2,-0.4 -0.850 35.2-169.2 -89.6 130.7 19.8 22.4 59.9 239 239 A V E -D 61 0B 0 -178,-2.3 -178,-2.4 -2,-0.5 2,-0.3 -0.981 5.6-178.3-123.8 133.5 16.3 23.4 61.1 240 240 A A E -DE 60 83B 0 -157,-2.5 -157,-2.5 -2,-0.4 2,-0.3 -0.876 41.5 -85.7-125.6 159.8 14.2 25.9 59.2 241 241 A N E > - E 0 82B 18 -182,-1.9 4,-2.2 -2,-0.3 -159,-0.2 -0.548 41.9-137.3 -57.8 125.8 10.8 27.5 59.6 242 242 A K H > S+ 0 0 66 -161,-2.2 4,-2.2 -2,-0.3 5,-0.2 0.912 99.3 49.2 -59.6 -46.6 8.4 24.9 58.1 243 243 A A H > S+ 0 0 59 -162,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.913 111.9 48.4 -64.4 -43.8 6.2 27.4 56.2 244 244 A W H > S+ 0 0 37 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.893 110.9 52.3 -59.1 -40.9 9.2 29.1 54.7 245 245 A A H >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 7,-0.3 0.877 104.6 55.0 -66.1 -36.9 10.7 25.7 53.7 246 246 A E H 3< S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.820 111.2 45.6 -65.2 -30.2 7.4 24.7 51.9 247 247 A K H 3< S+ 0 0 176 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.499 114.4 50.0 -89.5 -7.8 7.6 27.9 49.8 248 248 A N S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.725 76.1 58.5 -58.1 -29.5 11.9 23.9 47.7 250 250 A A H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.935 111.8 41.9 -63.8 -46.0 15.5 24.6 46.4 251 251 A A H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.891 111.6 55.9 -62.9 -43.3 16.5 25.7 49.9 252 252 A A H X S+ 0 0 12 -4,-2.2 4,-1.4 -7,-0.3 -2,-0.2 0.930 109.8 45.8 -56.5 -45.9 14.6 22.8 51.5 253 253 A K H X S+ 0 0 91 -4,-2.2 4,-1.3 1,-0.2 3,-0.4 0.931 110.8 52.9 -64.2 -45.8 16.6 20.3 49.4 254 254 A L H >X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.6 0.916 107.2 52.3 -55.3 -44.0 19.9 22.0 50.1 255 255 A F H 3< S+ 0 0 5 -4,-2.5 -17,-0.3 1,-0.2 -1,-0.2 0.832 107.6 52.8 -63.8 -32.4 19.2 21.8 53.9 256 256 A A H 3< S+ 0 0 31 -4,-1.4 -169,-0.4 -3,-0.4 -1,-0.2 0.774 116.0 36.8 -75.2 -24.8 18.6 18.0 53.6 257 257 A I H << S+ 0 0 38 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.638 82.9 109.4-110.0 -15.8 21.8 17.2 51.8 258 258 A M < + 0 0 1 -4,-1.7 2,-0.3 -5,-0.2 -171,-0.2 -0.398 41.9 179.0 -66.2 142.8 24.5 19.4 53.2 259 259 A Q - 0 0 109 -2,-0.1 -170,-0.2 -173,-0.1 -171,-0.1 -0.991 12.2-170.5-149.2 129.9 27.1 17.6 55.4 260 260 A L - 0 0 5 -172,-2.8 -170,-0.4 -2,-0.3 2,-0.1 -0.992 28.0-119.4-128.2 124.3 30.1 18.9 57.2 261 261 A P >> - 0 0 62 0, 0.0 4,-1.3 0, 0.0 3,-0.9 -0.418 15.7-133.7 -61.7 134.2 32.7 16.6 58.8 262 262 A V H 3> S+ 0 0 32 -172,-0.6 4,-2.5 1,-0.2 5,-0.2 0.841 105.9 61.9 -56.0 -34.1 33.1 17.1 62.6 263 263 A A H 3> S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.845 99.6 53.7 -63.1 -35.1 36.9 17.1 62.1 264 264 A D H <> S+ 0 0 45 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.890 110.3 45.8 -67.1 -37.4 36.7 20.2 59.8 265 265 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.910 111.5 53.0 -71.2 -43.0 34.8 22.2 62.4 266 266 A N H X S+ 0 0 50 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.939 110.6 47.9 -51.4 -48.2 37.3 21.0 65.1 267 267 A A H X S+ 0 0 53 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 112.8 47.4 -64.2 -43.8 40.2 22.2 62.9 268 268 A Q H X S+ 0 0 9 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.902 111.5 50.7 -63.6 -40.3 38.5 25.6 62.3 269 269 A N H X S+ 0 0 2 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.864 108.7 52.1 -68.0 -36.0 37.7 26.1 66.0 270 270 A A H X S+ 0 0 11 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.901 109.3 49.7 -65.1 -42.1 41.3 25.3 66.9 271 271 A I H <>S+ 0 0 84 -4,-2.0 5,-1.3 1,-0.2 -2,-0.2 0.905 109.7 51.5 -62.8 -44.9 42.6 27.9 64.5 272 272 A M H ><5S+ 0 0 8 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.869 107.6 52.7 -54.1 -43.5 40.2 30.5 65.9 273 273 A H H 3<5S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 97.8 64.9 -71.5 -30.7 41.4 29.8 69.4 274 274 A D T 3<5S- 0 0 116 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.1 0.048 133.8 -81.7 -77.5 25.5 45.0 30.3 68.3 275 275 A G T < 5S+ 0 0 64 -3,-1.2 2,-1.4 1,-0.1 -3,-0.2 0.089 103.1 107.4 108.0 -23.2 44.1 34.0 67.6 276 276 A K < + 0 0 127 -5,-1.3 -2,-0.1 1,-0.2 -3,-0.1 -0.576 40.4 122.5 -91.5 76.7 42.4 34.2 64.2 277 277 A A + 0 0 43 -2,-1.4 -1,-0.2 -5,-0.1 2,-0.1 0.139 29.3 119.7-128.4 16.8 38.9 34.8 65.4 278 278 A S S > S- 0 0 62 -3,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.423 77.7-105.6 -78.4 161.3 37.7 38.0 63.8 279 279 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.883 121.8 53.2 -49.2 -43.3 34.7 38.1 61.4 280 280 A G H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.850 107.2 49.3 -66.3 -38.4 37.1 38.5 58.5 281 281 A D H > S+ 0 0 54 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.854 110.3 50.7 -67.3 -37.8 39.2 35.4 59.4 282 282 A I H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.902 106.6 54.9 -70.7 -38.3 36.1 33.2 59.8 283 283 A Q H X S+ 0 0 46 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.896 109.3 48.2 -59.1 -40.0 34.8 34.3 56.4 284 284 A G H X S+ 0 0 39 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.774 106.5 55.8 -71.0 -29.8 38.1 33.2 54.9 285 285 A H H X S+ 0 0 40 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.917 111.1 45.7 -63.8 -43.1 37.9 29.9 56.7 286 286 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.946 114.0 47.2 -66.2 -49.9 34.5 29.3 55.0 287 287 A D H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.863 112.9 50.1 -60.4 -35.4 35.8 30.4 51.6 288 288 A G H X S+ 0 0 41 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.833 108.1 52.0 -73.6 -34.5 38.9 28.2 52.0 289 289 A W H X S+ 0 0 19 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.923 110.6 49.3 -64.1 -44.2 36.9 25.2 52.9 290 290 A I H >< S+ 0 0 15 -4,-2.1 3,-1.0 2,-0.2 7,-0.3 0.949 109.4 50.0 -61.6 -51.0 34.7 25.7 49.8 291 291 A K H >< S+ 0 0 174 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.901 112.0 49.6 -54.6 -42.7 37.6 26.0 47.4 292 292 A A H 3< S+ 0 0 78 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.645 122.5 32.3 -71.9 -17.7 39.1 22.8 48.9 293 293 A H T + 0 0 72 -3,-1.0 4,-2.8 1,-0.2 5,-0.2 0.847 69.4 51.3 -62.0 -39.5 34.5 22.6 45.4 295 295 A Q H > S+ 0 0 182 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 114.0 44.1 -61.3 -49.6 33.1 19.5 43.7 296 296 A Q H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.933 115.5 47.5 -58.9 -48.9 31.2 18.5 46.8 297 297 A F H X S+ 0 0 1 -4,-2.7 4,-1.8 -7,-0.3 -2,-0.2 0.923 113.2 47.4 -62.0 -46.8 29.9 22.1 47.4 298 298 A D H X S+ 0 0 63 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.850 107.6 58.3 -63.1 -35.9 28.9 22.6 43.7 299 299 A G H X S+ 0 0 26 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.895 105.5 48.6 -60.7 -43.1 27.1 19.2 43.8 300 300 A W H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.910 112.6 48.6 -59.5 -45.4 24.9 20.3 46.7 301 301 A V H X S+ 0 0 12 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.927 111.4 49.2 -63.8 -46.1 24.1 23.5 44.8 302 302 A N H X S+ 0 0 103 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.844 111.5 49.1 -60.7 -40.4 23.3 21.7 41.5 303 303 A E H < S+ 0 0 110 -4,-2.1 4,-0.4 2,-0.2 3,-0.3 0.897 111.4 49.6 -66.0 -41.1 21.0 19.2 43.3 304 304 A A H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.898 110.5 50.0 -64.0 -41.3 19.2 22.0 45.1 305 305 A L H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.706 106.3 57.4 -69.7 -22.3 18.7 23.9 41.8 306 306 A A T 3< S+ 0 0 82 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.436 82.9 110.0 -90.3 -2.2 17.3 20.7 40.2 307 307 A A S < S- 0 0 20 -3,-1.0 2,-1.4 -4,-0.4 -57,-0.1 -0.171 94.1 -84.1 -60.3 166.1 14.5 20.3 42.8 308 308 A Q 0 0 198 -59,-0.1 -1,-0.1 -58,-0.0 -2,-0.1 -0.637 360.0 360.0 -75.5 93.8 10.9 20.9 41.7 309 309 A K 0 0 134 -2,-1.4 -61,-0.1 -4,-0.2 -4,-0.0 -0.816 360.0 360.0-129.6 360.0 11.1 24.7 42.1 310 ! 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 0.0 311 1001 A X 0 0 2 0, 0.0 -169,-2.6 0, 0.0 -168,-0.2 0.000 360.0 360.0 360.0 360.0 25.2 22.6 73.2