==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 11-SEP-08 2JLN . COMPND 2 MOLECULE: MHP1; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROBACTERIUM LIQUEFACIENS; . AUTHOR S.WEYAND,T.SHIMAMURA,S.YAJIMA,S.SUZUKI,O.MIRZA,K.KRUSONG, . 463 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 81.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 1 0.2 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 . 9 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 5 2 1 0 0 3 1 0 2 1 1 1 2 0 0 0 1 0 1 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A E 0 0 208 0, 0.0 2,-0.5 0, 0.0 389,-0.0 0.000 360.0 360.0 360.0 -91.7 24.8 41.8 -13.0 2 9 A A - 0 0 37 389,-0.1 2,-0.1 388,-0.1 0, 0.0 -0.817 360.0-131.5-110.2 128.0 22.3 39.3 -14.3 3 10 A R - 0 0 142 -2,-0.5 387,-2.0 1,-0.1 2,-0.4 -0.356 29.7-120.1 -60.5 141.7 21.2 38.4 -17.8 4 11 A S B -A 389 0A 49 385,-0.2 385,-0.2 1,-0.1 -1,-0.1 -0.768 23.5-173.9 -91.8 136.2 17.4 38.3 -18.4 5 12 A L + 0 0 13 383,-3.0 2,-0.2 -2,-0.4 384,-0.2 0.322 48.9 111.4-107.2 4.0 15.8 35.1 -19.6 6 13 A L + 0 0 47 382,-0.5 5,-0.1 3,-0.0 -2,-0.1 -0.583 32.4 159.9 -84.3 139.9 12.3 36.4 -20.2 7 14 A N - 0 0 9 -2,-0.2 3,-0.5 318,-0.0 4,-0.4 -0.935 54.3 -95.1-149.2 163.6 10.7 36.7 -23.6 8 15 A P S > S+ 0 0 120 0, 0.0 3,-0.5 0, 0.0 320,-0.1 0.792 120.9 48.2 -58.8 -30.6 7.0 37.0 -24.7 9 16 A S T 3 S+ 0 0 36 1,-0.2 312,-0.1 315,-0.1 319,-0.1 0.881 115.4 42.3 -73.3 -40.5 6.6 33.2 -25.4 10 17 A N T 3 S+ 0 0 4 -3,-0.5 72,-0.2 310,-0.3 -1,-0.2 0.175 90.1 114.9 -92.8 15.6 8.2 31.9 -22.2 11 18 A A S < S- 0 0 27 -3,-0.5 3,-0.0 -4,-0.4 -5,-0.0 -0.583 79.9 -87.7 -84.7 149.6 6.5 34.5 -19.8 12 19 A P - 0 0 6 0, 0.0 2,-0.7 0, 0.0 68,-0.2 -0.108 49.5-108.9 -50.1 155.3 4.0 33.5 -17.1 13 20 A T - 0 0 7 67,-0.9 5,-0.1 212,-0.2 446,-0.1 -0.845 34.2-123.1-104.5 117.2 0.5 33.3 -18.5 14 21 A R > - 0 0 59 -2,-0.7 3,-1.3 1,-0.1 4,-0.4 -0.194 12.4-121.0 -64.8 145.0 -1.8 36.1 -17.2 15 22 A Y G > S+ 0 0 35 444,-0.6 3,-1.3 1,-0.3 214,-0.2 0.876 117.8 49.4 -46.5 -48.8 -5.1 35.6 -15.4 16 23 A A G 3 S+ 0 0 84 443,-0.5 -1,-0.3 1,-0.2 444,-0.1 0.766 106.3 58.0 -67.0 -23.9 -6.9 37.5 -18.1 17 24 A E G < S+ 0 0 114 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.494 80.8 113.7 -83.2 -1.1 -5.1 35.4 -20.7 18 25 A R < + 0 0 19 -3,-1.3 209,-0.2 -4,-0.4 208,-0.1 -0.451 31.3 165.9 -81.2 144.7 -6.5 32.0 -19.4 19 26 A S + 0 0 34 207,-1.5 2,-0.6 -2,-0.2 208,-0.2 0.446 43.3 85.3-138.9 -1.6 -8.9 30.0 -21.6 20 27 A V B +b 227 0B 0 206,-1.6 208,-1.6 204,-0.1 -1,-0.1 -0.928 48.8 178.9-115.6 111.2 -9.4 26.4 -20.5 21 28 A G > - 0 0 10 -2,-0.6 4,-1.5 206,-0.2 -2,-0.0 -0.204 46.9 -80.2 -93.9-169.7 -12.0 25.7 -17.8 22 29 A P H > S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.843 122.8 48.5 -67.5 -36.2 -13.0 22.3 -16.3 23 30 A F H > S+ 0 0 163 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.855 112.5 50.1 -69.8 -32.9 -15.4 20.9 -18.9 24 31 A S H > S+ 0 0 12 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.869 105.7 55.3 -76.3 -35.8 -13.0 21.7 -21.7 25 32 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 3,-0.3 0.884 107.2 50.2 -66.1 -40.2 -10.0 20.0 -20.0 26 33 A A H X S+ 0 0 19 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.881 109.0 53.4 -59.3 -36.2 -12.1 16.8 -19.7 27 34 A A H X S+ 0 0 12 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.704 108.7 48.6 -77.1 -19.9 -12.8 17.1 -23.4 28 35 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -1,-0.2 0.869 111.7 48.9 -82.3 -41.7 -9.2 17.4 -24.2 29 36 A W H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.808 107.3 56.4 -67.6 -29.8 -8.3 14.3 -22.1 30 37 A F H X S+ 0 0 28 -4,-2.1 4,-0.8 2,-0.2 3,-0.2 0.954 115.1 36.3 -65.9 -48.3 -11.1 12.3 -23.7 31 38 A A H < S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.2 3,-0.2 0.839 114.5 57.3 -75.9 -28.6 -9.6 12.9 -27.2 32 39 A M H < S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.752 104.2 53.0 -70.3 -25.7 -6.0 12.7 -26.0 33 40 A A H < S+ 0 0 5 -4,-1.4 2,-1.0 -3,-0.2 5,-0.2 0.735 86.9 86.8 -83.6 -25.2 -6.4 9.2 -24.5 34 41 A I < + 0 0 1 -4,-0.8 2,-0.3 -3,-0.2 271,-0.2 -0.662 64.0 116.2 -75.8 101.8 -7.8 7.5 -27.6 35 42 A Q S > S- 0 0 43 -2,-1.0 3,-2.1 1,-0.1 4,-0.2 -0.864 76.9 -89.1-173.3 132.5 -4.7 6.4 -29.5 36 43 A V T >> S+ 0 0 34 1,-0.3 3,-2.4 -2,-0.3 4,-1.5 0.515 107.7 73.4 -2.4 -65.8 -3.0 3.3 -30.7 37 44 A A H 3> S+ 0 0 49 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.797 96.0 53.0 -34.6 -43.2 -0.9 2.5 -27.6 38 45 A I H <> S+ 0 0 20 -3,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.714 102.4 55.9 -79.2 -19.8 -4.0 1.3 -25.7 39 46 A F H <> S+ 0 0 15 -3,-2.4 4,-2.0 -4,-0.2 -1,-0.2 0.949 114.0 42.3 -65.1 -49.9 -5.1 -1.1 -28.3 40 47 A I H X S+ 0 0 55 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.955 117.0 45.8 -61.6 -50.1 -1.7 -2.8 -28.1 41 48 A A H X S+ 0 0 24 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.945 116.9 41.5 -59.2 -51.8 -1.4 -2.6 -24.3 42 49 A A H X S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.787 113.6 56.2 -74.1 -27.7 -4.9 -3.9 -23.4 43 50 A G H >< S+ 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 4,-0.4 0.971 107.9 44.6 -62.6 -59.7 -4.7 -6.5 -26.2 44 51 A Q H >< S+ 0 0 125 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.757 103.7 66.8 -57.0 -26.5 -1.5 -8.2 -24.9 45 52 A M H >X S+ 0 0 9 -4,-1.3 4,-1.9 -5,-0.2 3,-1.9 0.764 82.4 74.1 -66.5 -25.3 -2.9 -8.1 -21.3 46 53 A T T << S+ 0 0 10 -3,-1.4 149,-3.0 -4,-0.5 150,-0.3 0.743 85.2 68.4 -63.9 -23.6 -5.6 -10.7 -22.2 47 54 A S T <4 S+ 0 0 57 -3,-1.0 150,-0.4 -4,-0.4 -1,-0.3 0.823 112.1 28.4 -54.6 -35.9 -2.9 -13.2 -22.3 48 55 A S T <4 S+ 0 0 25 -3,-1.9 2,-0.3 -4,-0.3 151,-0.2 0.691 130.7 17.4-106.4 -23.2 -2.4 -12.8 -18.5 49 56 A F S < S- 0 0 18 -4,-1.9 146,-1.4 149,-0.1 2,-0.2 -0.908 85.3 -94.0-140.4 167.0 -5.9 -11.8 -17.2 50 57 A Q >> - 0 0 60 144,-0.4 4,-1.6 -2,-0.3 3,-1.2 -0.583 43.2-100.1 -87.6 154.1 -9.4 -12.0 -18.6 51 58 A V H 3> S+ 0 0 0 139,-0.3 4,-2.3 1,-0.3 5,-0.2 0.797 120.9 53.3 -38.4 -50.5 -11.0 -9.0 -20.4 52 59 A W H 3> S+ 0 0 117 139,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.921 109.6 49.6 -57.0 -42.2 -13.1 -7.8 -17.4 53 60 A Q H <> S+ 0 0 53 -3,-1.2 4,-3.0 138,-0.2 -1,-0.2 0.869 106.3 55.9 -61.4 -34.9 -9.9 -7.7 -15.3 54 61 A V H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.946 105.9 51.5 -64.6 -43.8 -8.1 -5.7 -18.1 55 62 A I H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.851 111.7 47.9 -55.4 -37.5 -10.9 -3.1 -17.9 56 63 A V H X S+ 0 0 70 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.900 108.7 51.4 -74.6 -41.6 -10.3 -3.0 -14.1 57 64 A A H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.800 112.2 50.3 -61.6 -29.5 -6.5 -2.6 -14.5 58 65 A I H X S+ 0 0 3 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.947 110.7 45.2 -72.8 -54.0 -7.2 0.2 -16.9 59 66 A A H X S+ 0 0 29 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.872 118.1 46.9 -55.8 -39.0 -9.7 2.1 -14.6 60 67 A A H X S+ 0 0 28 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.932 112.5 47.4 -68.2 -48.9 -7.2 1.6 -11.7 61 68 A G H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.835 111.0 53.7 -63.0 -33.7 -4.2 2.7 -13.8 62 69 A C H X S+ 0 0 3 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.879 108.3 50.3 -62.6 -39.7 -6.2 5.7 -14.9 63 70 A T H X S+ 0 0 52 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.857 106.1 51.7 -72.3 -39.6 -6.9 6.6 -11.3 64 71 A I H X S+ 0 0 66 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.878 106.1 58.4 -64.4 -34.5 -3.3 6.5 -10.0 65 72 A A H X S+ 0 0 1 -4,-1.2 4,-1.5 -5,-0.2 -2,-0.2 0.914 106.1 48.2 -60.7 -46.3 -2.4 8.8 -12.9 66 73 A V H X S+ 0 0 15 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.898 105.0 56.1 -61.0 -48.7 -4.9 11.4 -11.6 67 74 A I H X S+ 0 0 100 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.824 111.0 47.6 -48.4 -35.5 -3.7 11.3 -8.0 68 75 A L H >X S+ 0 0 22 -4,-1.3 4,-2.5 -3,-0.2 3,-0.5 0.860 109.8 52.2 -73.6 -37.2 -0.2 12.1 -9.5 69 76 A L H 3X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 5,-0.3 0.913 97.6 64.9 -64.3 -46.9 -1.7 15.0 -11.6 70 77 A F H 3< S+ 0 0 58 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.820 114.9 33.1 -42.0 -36.9 -3.4 16.6 -8.6 71 78 A F H X< S+ 0 0 83 -4,-0.5 3,-0.7 -3,-0.5 4,-0.4 0.872 117.7 47.5 -93.6 -43.7 0.2 17.2 -7.3 72 79 A T H 3< S+ 0 0 16 -4,-2.5 149,-0.3 1,-0.2 4,-0.2 0.636 114.4 48.3 -76.0 -10.6 2.4 17.8 -10.4 73 80 A Q T 3X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 3,-0.3 0.531 85.5 88.3-102.6 -9.3 -0.1 20.3 -12.0 74 81 A S H <> S+ 0 0 5 -3,-0.7 4,-1.5 -5,-0.3 -2,-0.1 0.828 87.4 46.5 -70.9 -34.9 -0.8 22.5 -9.0 75 82 A A H > S+ 0 0 11 -4,-0.4 4,-2.1 2,-0.2 6,-0.4 0.780 109.8 54.5 -73.5 -31.6 2.0 25.1 -9.4 76 83 A A H > S+ 0 0 0 -3,-0.3 4,-1.2 -4,-0.2 -2,-0.2 0.860 108.1 48.8 -73.7 -37.9 1.4 25.6 -13.2 77 84 A I H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.943 116.5 41.9 -64.1 -48.2 -2.3 26.4 -12.7 78 85 A R H < S+ 0 0 30 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.1 0.913 128.3 26.2 -68.6 -43.3 -1.6 29.0 -9.9 79 86 A W H < S- 0 0 25 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.334 94.1-128.0-109.5 3.8 1.5 30.7 -11.4 80 87 A G < + 0 0 1 -4,-1.2 -67,-0.9 -68,-0.2 -4,-0.2 0.643 55.4 150.7 60.2 22.6 1.0 30.2 -15.2 81 88 A I - 0 0 0 -6,-0.4 -1,-0.2 -69,-0.2 144,-0.1 -0.481 43.4-108.5 -96.8 157.2 4.5 28.7 -15.7 82 89 A N > - 0 0 6 -72,-0.2 4,-1.3 -2,-0.2 -1,-0.1 -0.131 21.9-123.8 -52.2 161.5 6.4 26.2 -18.1 83 90 A F H > S+ 0 0 3 136,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.944 113.9 48.2 -68.7 -56.0 7.7 22.8 -17.3 84 91 A T H 4 S+ 0 0 2 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.881 115.5 45.0 -56.6 -42.6 11.2 23.8 -18.5 85 92 A V H >4 S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.894 108.8 55.5 -65.0 -44.6 11.1 27.0 -16.4 86 93 A A H >< S+ 0 0 3 -4,-1.3 3,-1.2 1,-0.2 -2,-0.2 0.746 96.5 65.3 -63.1 -26.2 9.7 25.4 -13.3 87 94 A A T 3X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.3 -1,-0.2 0.745 82.0 78.8 -69.7 -20.4 12.5 22.8 -13.1 88 95 A R T <4 S+ 0 0 10 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.766 83.0 70.8 -57.1 -23.8 15.0 25.7 -12.5 89 96 A M T <4 S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.987 110.5 17.0 -63.8 -69.5 13.7 25.6 -8.9 90 97 A P T 4 S+ 0 0 2 0, 0.0 314,-0.2 0, 0.0 -2,-0.1 0.964 132.1 41.3 -75.9 -49.4 15.1 22.3 -7.4 91 98 A F S < S- 0 0 0 -4,-1.2 309,-0.1 1,-0.2 5,-0.1 -0.289 112.1 -80.5 -77.4 178.2 17.9 21.6 -10.0 92 99 A G > - 0 0 0 1,-0.1 4,-0.7 -2,-0.1 -1,-0.2 0.020 34.4-102.2 -71.2-174.9 19.7 24.7 -11.1 93 100 A I T 4 S+ 0 0 12 301,-0.8 307,-0.2 302,-0.1 302,-0.1 0.788 131.5 17.3 -68.0 -26.8 18.8 27.4 -13.6 94 101 A R T >4 S+ 0 0 127 305,-3.1 3,-2.4 301,-0.2 4,-0.2 0.739 118.8 66.1-111.3 -41.6 21.3 25.5 -15.7 95 102 A G T >4 S+ 0 0 0 304,-2.7 3,-1.3 1,-0.3 305,-0.1 0.744 90.2 68.8 -49.5 -30.7 21.5 22.1 -13.9 96 103 A S T 3X S+ 0 0 2 -4,-0.7 4,-2.0 303,-0.3 -1,-0.3 0.763 81.0 77.6 -60.2 -26.3 17.8 21.6 -14.8 97 104 A L H <> S+ 0 0 60 -3,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.769 85.7 62.8 -57.7 -25.3 19.0 21.2 -18.4 98 105 A I H X> S+ 0 0 98 -3,-1.3 4,-1.6 -4,-0.2 3,-0.6 0.999 110.9 30.3 -65.7 -70.3 20.2 17.6 -17.6 99 106 A P H 3> S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 118.5 58.4 -56.5 -38.8 17.0 15.8 -16.6 100 107 A I H 3X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.838 103.5 52.2 -62.0 -31.4 15.0 18.1 -19.0 101 108 A T H X S+ 0 0 14 -4,-2.2 4,-1.6 1,-0.2 3,-1.1 0.991 111.0 44.6 -55.8 -63.3 11.1 10.3 -30.4 110 117 A W H 3X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.3 5,-0.3 0.812 104.0 65.3 -58.5 -30.8 7.4 9.6 -29.9 111 118 A F H 3X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.3 0.909 106.0 43.5 -54.2 -43.7 6.4 12.6 -32.0 112 119 A G H X S+ 0 0 33 -4,-2.3 3,-1.8 1,-0.2 4,-0.6 0.944 111.9 48.4 -70.3 -44.7 -5.2 8.0 -51.0 127 134 A R H 3X S+ 0 0 101 -4,-2.2 4,-1.8 1,-0.3 3,-0.2 0.757 103.5 62.3 -71.6 -17.0 -4.3 4.6 -52.6 128 135 A L H 3< S+ 0 0 30 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.215 116.4 33.7 -83.7 15.0 -7.8 3.3 -51.8 129 136 A L H <4 S+ 0 0 120 -3,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.307 140.7 10.0-137.5 -3.8 -8.9 6.1 -54.2 130 137 A T H < S- 0 0 105 -4,-0.6 -3,-0.2 -3,-0.2 -2,-0.2 0.362 83.6-120.9-165.4 -1.2 -6.0 6.3 -56.7 131 138 A G < + 0 0 56 -4,-1.8 2,-0.2 -5,-0.3 -4,-0.2 0.306 69.9 136.7 60.9 -14.0 -3.6 3.3 -56.3 132 139 A F - 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0 0 39 -4,-2.9 2,-0.3 -8,-0.3 -1,-0.1 -0.886 57.2-164.2-120.1 151.6 14.0 30.9 -30.5 328 335 A T > - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.832 42.7 -96.6-119.8 166.3 10.4 31.8 -30.1 329 336 A F H > S+ 0 0 21 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 0.928 124.9 45.9 -44.9 -58.7 7.4 29.4 -29.5 330 337 A K H > S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.876 116.7 46.4 -55.6 -34.8 6.4 29.3 -33.1 331 338 A T H > S+ 0 0 61 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.824 107.8 55.1 -78.3 -27.8 10.0 28.7 -34.2 332 339 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 -3,-0.4 -2,-0.2 0.824 103.5 56.9 -72.7 -36.3 10.8 26.0 -31.5 333 340 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.882 106.2 49.6 -57.7 -46.0 7.8 24.0 -32.8 334 341 A I H X S+ 0 0 79 -4,-1.1 4,-0.9 1,-0.2 -2,-0.2 0.888 112.5 46.5 -63.0 -41.7 9.4 24.0 -36.3 335 342 A V H X S+ 0 0 53 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.791 112.6 51.1 -71.3 -26.8 12.8 22.9 -35.1 336 343 A S H X S+ 0 0 3 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.881 107.6 49.5 -78.3 -40.0 11.2 20.1 -32.8 337 344 A A H X S+ 0 0 5 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.755 114.1 48.8 -70.6 -23.4 9.1 18.5 -35.5 338 345 A V H X S+ 0 0 78 -4,-0.9 4,-2.0 -5,-0.2 -2,-0.2 0.950 112.6 43.6 -80.6 -54.5 12.2 18.4 -37.8 339 346 A V H X S+ 0 0 67 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.960 111.1 58.4 -49.8 -51.7 14.6 16.9 -35.2 340 347 A G H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.899 110.1 42.2 -41.9 -52.4 11.9 14.5 -34.3 341 348 A L H >< S+ 0 0 31 -4,-1.2 3,-1.7 1,-0.2 -1,-0.2 0.781 104.6 62.2 -73.4 -30.3 11.6 13.2 -37.9 342 349 A L H 3< S+ 0 0 138 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.479 93.5 65.3 -78.0 2.2 15.4 13.0 -38.6 343 350 A M T << S- 0 0 73 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.452 93.2-153.0 -87.3 -5.6 15.6 10.4 -35.8 344 351 A M X + 0 0 89 -3,-1.7 3,-1.1 1,-0.2 -3,-0.1 0.832 22.1 178.8 29.5 57.9 13.5 8.4 -38.1 345 352 A P G >> + 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.459 59.3 83.0 -69.8 -9.2 12.2 6.6 -34.9 346 353 A W G 34 S+ 0 0 41 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.431 92.8 52.1 -77.0 2.3 9.7 4.3 -36.7 347 354 A Q G <4 S+ 0 0 125 -3,-1.1 -1,-0.2 2,-0.1 4,-0.2 0.288 111.0 41.6-118.5 7.2 12.7 2.0 -37.3 348 355 A F T <> S+ 0 0 93 -3,-1.2 4,-3.2 2,-0.1 -2,-0.2 0.350 88.7 84.7-132.9 -4.2 14.1 1.7 -33.8 349 356 A A H X S+ 0 0 15 -4,-0.8 4,-1.8 2,-0.2 7,-0.1 0.898 92.2 52.1 -68.4 -39.7 10.9 1.3 -31.7 350 357 A G H 4 S+ 0 0 69 2,-0.2 3,-0.4 1,-0.1 4,-0.3 0.986 120.2 32.6 -56.5 -65.3 11.0 -2.4 -32.5 351 358 A V H >4 S+ 0 0 116 1,-0.2 3,-0.7 -4,-0.2 -2,-0.2 0.986 125.0 44.0 -46.2 -67.8 14.6 -2.8 -31.3 352 359 A L H >X S+ 0 0 53 -4,-3.2 4,-2.2 1,-0.2 3,-1.3 0.485 74.0 111.4 -73.5 -8.1 14.5 -0.1 -28.6 353 360 A N H 3X S+ 0 0 96 -4,-1.8 4,-1.5 -3,-0.4 -1,-0.2 0.829 86.3 42.5 -27.8 -56.7 11.1 -0.9 -27.0 354 361 A T H <> S+ 0 0 110 -3,-0.7 4,-0.8 -4,-0.3 -1,-0.3 0.788 111.0 54.3 -68.9 -32.4 12.9 -2.1 -23.8 355 362 A F H <> S+ 0 0 116 -3,-1.3 4,-1.9 -4,-0.2 3,-0.4 0.911 109.5 48.5 -65.3 -44.3 15.4 0.8 -23.7 356 363 A L H X S+ 0 0 15 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.795 103.0 59.2 -68.6 -33.9 12.6 3.4 -23.9 357 364 A N H X S+ 0 0 115 -4,-1.5 4,-1.6 -5,-0.4 -1,-0.2 0.804 109.1 48.4 -63.9 -28.9 10.6 1.7 -21.1 358 365 A L H X S+ 0 0 79 -4,-0.8 4,-1.2 -3,-0.4 -2,-0.2 0.930 109.1 49.8 -71.2 -52.8 13.7 2.3 -19.0 359 366 A L H < S+ 0 0 49 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.897 112.6 49.5 -56.6 -41.4 14.1 6.0 -20.0 360 367 A A H >< S+ 0 0 16 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.977 109.9 47.3 -63.6 -54.6 10.5 6.7 -19.2 361 368 A S H >< S+ 0 0 16 -4,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.666 97.2 75.5 -67.9 -9.1 10.4 5.1 -15.8 362 369 A A T 3< S+ 0 0 11 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.1 0.009 79.5 74.0 -84.2 26.4 13.7 7.0 -15.0 363 370 A L T <> + 0 0 0 -3,-1.1 4,-2.4 2,-0.1 5,-0.3 0.258 66.4 97.0-112.9 2.8 11.5 10.1 -14.6 364 371 A G H <> S+ 0 0 0 -3,-1.1 4,-1.5 1,-0.2 -2,-0.1 0.934 86.8 43.2 -59.4 -49.3 10.2 8.9 -11.2 365 372 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.863 109.5 59.0 -64.2 -33.2 12.8 10.9 -9.3 366 373 A L H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.927 111.3 40.0 -60.9 -43.1 12.2 13.9 -11.6 367 374 A A H X S+ 0 0 5 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.803 116.8 53.0 -71.2 -28.2 8.5 13.9 -10.6 368 375 A G H X S+ 0 0 0 -4,-1.5 4,-1.3 -5,-0.3 -2,-0.2 0.858 109.1 45.7 -78.0 -38.5 9.4 13.2 -7.0 369 376 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.777 113.6 49.8 -76.0 -28.2 11.9 16.0 -6.6 370 377 A M H X S+ 0 0 29 -4,-1.2 4,-1.8 -5,-0.3 5,-0.3 0.879 109.5 49.3 -81.9 -37.4 9.6 18.6 -8.1 371 378 A I H X S+ 0 0 21 -4,-1.7 4,-2.4 1,-0.2 5,-0.5 0.898 116.7 45.0 -65.3 -34.8 6.6 17.7 -6.1 372 379 A S H X>S+ 0 0 0 -4,-1.3 5,-2.4 2,-0.2 4,-1.3 0.917 109.1 51.7 -78.6 -46.8 8.8 17.9 -3.0 373 380 A D H <>S+ 0 0 1 -4,-2.2 5,-2.7 3,-0.2 6,-0.3 0.966 119.7 36.9 -51.5 -55.4 10.7 21.1 -3.7 374 381 A Y H <5S+ 0 0 12 -4,-1.8 6,-2.6 3,-0.2 7,-0.2 0.941 128.0 29.1 -69.7 -49.7 7.4 23.0 -4.3 375 382 A F H <5S+ 0 0 42 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.934 132.9 21.0 -78.3 -46.8 5.0 21.4 -1.7 376 383 A L T <5S+ 0 0 91 -4,-1.3 -3,-0.2 -5,-0.5 -4,-0.1 0.950 127.1 36.7 -91.9 -56.6 7.2 20.4 1.2 377 384 A V T > - 0 0 1 -2,-0.2 4,-1.1 1,-0.2 3,-1.1 -0.785 12.9-176.5-117.6 91.5 10.0 33.8 -6.7 384 391 A L H >> S+ 0 0 0 -2,-0.6 4,-1.0 1,-0.2 3,-0.7 0.891 84.5 66.2 -46.9 -41.6 9.1 34.3 -10.4 385 392 A H H >4 S+ 0 0 47 66,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.904 105.0 42.2 -46.8 -46.0 11.6 37.2 -10.4 386 393 A D H X4 S+ 0 0 11 -3,-1.1 3,-1.1 1,-0.2 -1,-0.2 0.701 102.8 65.4 -82.3 -20.2 14.5 34.8 -9.9 387 394 A L H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.685 105.5 46.4 -73.0 -19.3 13.3 32.0 -12.3 388 395 A Y T << S+ 0 0 2 -4,-1.0 -383,-3.0 -3,-0.6 -382,-0.5 0.173 103.3 78.4-109.6 22.0 13.7 34.4 -15.2 389 396 A R B < S-A 4 0A 47 -3,-1.1 5,-0.2 -385,-0.2 -385,-0.2 -0.995 70.4-138.6-137.8 130.1 17.2 35.7 -14.2 390 397 A T S S+ 0 0 15 -387,-2.0 2,-0.5 -2,-0.4 -297,-0.1 0.770 96.4 40.2 -50.0 -39.1 20.6 34.2 -14.6 391 398 A K S S+ 0 0 120 -388,-0.3 2,-0.2 -298,-0.0 -1,-0.2 -0.904 88.2 92.4-122.2 106.3 21.9 35.2 -11.1 392 399 A G S > S- 0 0 31 -2,-0.5 3,-1.5 -3,-0.1 4,-0.4 -0.812 91.8 -46.6-164.4-159.9 19.3 34.9 -8.2 393 400 A I T 3 S+ 0 0 20 1,-0.3 -6,-0.1 -2,-0.2 -2,-0.0 0.467 129.9 53.2 -71.5 1.4 18.1 32.5 -5.5 394 401 A Y T 3 S+ 0 0 0 -8,-0.2 -301,-0.8 -5,-0.2 -1,-0.3 0.140 83.9 86.0-117.3 16.3 18.1 29.6 -8.1 395 402 A T <> + 0 0 21 -3,-1.5 4,-2.1 -303,-0.2 5,-0.3 0.817 57.2 165.7 -88.0 -31.8 21.6 29.8 -9.4 396 403 A Y T 4 + 0 0 18 -4,-0.4 2,-1.5 3,-0.2 5,-0.2 -0.194 65.9 5.8 48.5-136.0 23.3 27.7 -6.7 397 404 A W B >4 S-C 400 0C 102 3,-1.1 3,-1.2 1,-0.2 -1,-0.1 -0.582 137.5 -46.3 -78.5 89.5 26.9 26.7 -7.7 398 405 A R T 34 S- 0 0 229 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 121.6 -38.6 56.2 36.0 27.4 28.6 -11.0 399 406 A G T 3< S+ 0 0 1 -4,-2.1 -305,-3.1 1,-0.1 -304,-2.7 0.371 122.7 87.4 101.3 -1.6 23.9 27.5 -12.3 400 407 A V B < -C 397 0C 21 -3,-1.2 -3,-1.1 -5,-0.3 2,-1.1 -0.991 61.3-146.4-137.1 133.9 23.7 23.9 -11.1 401 408 A N >> - 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0 0 79 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.522 12.5-154.7 -87.0 149.0 18.8 31.0 0.5 447 454 A L S S+ 0 0 15 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.0 0.556 77.2 38.3 -95.0 -14.0 15.4 29.3 -0.1 448 455 A F - 0 0 61 -66,-0.1 2,-0.3 -65,-0.0 -66,-0.1 -0.857 68.7-151.1-132.3 168.0 13.3 32.5 -0.4 449 456 A S > - 0 0 21 -2,-0.3 3,-1.1 1,-0.1 -64,-0.1 -0.993 24.5-132.0-145.4 152.3 13.8 35.9 -1.9 450 457 A E G > S+ 0 0 183 -2,-0.3 3,-1.4 1,-0.2 4,-0.1 0.852 103.5 67.7 -65.3 -34.0 12.7 39.5 -1.5 451 458 A A G > S+ 0 0 22 1,-0.3 3,-2.2 2,-0.2 -66,-0.3 0.579 74.2 91.9 -68.0 -4.8 11.9 39.9 -5.2 452 459 A E G X + 0 0 47 -3,-1.1 3,-0.7 1,-0.3 -1,-0.3 0.523 68.6 74.6 -68.6 -2.0 9.1 37.5 -4.6 453 460 A S G < S+ 0 0 101 -3,-1.4 3,-0.5 1,-0.2 -1,-0.3 0.668 84.9 63.7 -84.3 -15.1 6.9 40.5 -4.0 454 461 A R G X> S+ 0 0 101 -3,-2.2 4,-1.0 1,-0.2 3,-1.0 0.423 72.7 104.2 -82.2 3.6 6.8 41.2 -7.7 455 462 A N H X> S+ 0 0 9 -3,-0.7 3,-0.7 1,-0.3 4,-0.6 0.863 78.4 48.9 -53.7 -42.2 5.0 37.9 -8.4 456 463 A E H 3> S+ 0 0 64 -3,-0.5 4,-2.9 1,-0.3 3,-0.3 0.731 98.5 69.5 -78.2 -18.7 1.6 39.5 -9.0 457 464 A D H <4 S+ 0 0 57 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.878 97.0 53.2 -58.8 -41.3 3.2 42.0 -11.4 458 465 A Y H << S+ 0 0 19 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.759 122.8 25.6 -65.1 -27.7 3.8 39.1 -13.8 459 466 A L H < S+ 0 0 0 -4,-0.6 -444,-0.6 -3,-0.3 -443,-0.5 0.826 96.3 87.0-106.7 -45.2 0.1 38.0 -13.8 460 467 A R S < S- 0 0 130 -4,-2.9 -446,-0.1 1,-0.1 2,-0.0 -0.135 89.7 -77.6 -66.3 161.8 -2.3 40.8 -12.9 461 468 A P - 0 0 97 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.277 44.3-134.6 -60.7 140.5 -3.7 43.1 -15.6 462 469 A I 0 0 144 -3,-0.1 -5,-0.0 -2,-0.0 0, 0.0 -0.778 360.0 360.0-103.3 138.6 -1.5 45.9 -17.0 463 470 A G 0 0 127 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.922 360.0 360.0 173.6 360.0 -2.7 49.5 -17.5