==== 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 PROTON TRANSPORT 07-MAY-03 1P8I . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR J.K.LANYI . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 86.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0.5 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 . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 111 0, 0.0 6,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-143.9 23.4 25.8 -15.3 2 6 A G + 0 0 81 4,-0.0 3,-0.1 3,-0.0 0, 0.0 0.389 360.0 94.5 -85.6 0.5 23.6 28.5 -18.0 3 7 A R > - 0 0 49 1,-0.2 3,-2.9 191,-0.0 4,-0.3 -0.846 69.0-153.4 -96.0 113.3 22.9 31.0 -15.2 4 8 A P T > S+ 0 0 85 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.860 94.3 61.0 -59.7 -30.1 26.3 32.3 -14.0 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.6 2,-0.1 3,-0.8 0.605 76.5 95.6 -71.6 -6.9 24.7 33.0 -10.6 6 10 A W H <> S+ 0 0 104 -3,-2.9 4,-2.8 1,-0.2 5,-0.3 0.888 75.5 60.8 -51.7 -41.6 23.8 29.3 -10.1 7 11 A I H <> S+ 0 0 70 -3,-0.8 4,-2.7 -4,-0.3 -1,-0.2 0.915 105.8 45.7 -57.6 -38.3 27.0 28.6 -8.1 8 12 A W H <> S+ 0 0 68 -3,-0.8 4,-1.9 -4,-0.3 -1,-0.2 0.873 112.0 51.2 -73.3 -31.6 26.1 31.1 -5.4 9 13 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 48,-0.2 0.872 112.1 48.6 -69.7 -33.8 22.5 29.8 -5.3 10 14 A A H X S+ 0 0 27 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.927 112.8 46.3 -66.5 -48.5 23.9 26.3 -4.9 11 15 A L H X S+ 0 0 69 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.906 113.5 49.5 -60.6 -38.2 26.3 27.3 -2.1 12 16 A G H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.906 108.7 52.8 -70.5 -35.1 23.6 29.2 -0.3 13 17 A T H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 113.0 44.8 -60.1 -48.9 21.3 26.3 -0.6 14 18 A A H X S+ 0 0 43 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.913 113.2 49.0 -62.4 -44.8 23.9 24.0 1.0 15 19 A L H X S+ 0 0 63 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.920 112.8 46.6 -69.8 -32.9 24.9 26.5 3.7 16 20 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 34,-0.2 0.918 113.0 50.4 -73.1 -36.5 21.3 27.1 4.8 17 21 A G H X S+ 0 0 12 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.944 112.6 46.8 -58.8 -53.6 20.6 23.3 4.7 18 22 A L H X S+ 0 0 106 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.890 111.4 50.0 -61.0 -41.7 23.6 22.6 6.9 19 23 A G H X S+ 0 0 7 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.941 109.0 53.8 -65.2 -36.8 22.9 25.3 9.4 20 24 A T H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 111.4 44.0 -60.3 -46.9 19.3 24.0 9.7 21 25 A L H X S+ 0 0 108 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.946 112.4 53.3 -65.6 -43.2 20.5 20.5 10.5 22 26 A Y H X S+ 0 0 102 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.961 112.3 43.0 -54.8 -50.1 23.1 21.8 12.9 23 27 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.894 112.0 56.2 -67.9 -31.3 20.7 23.9 14.9 24 28 A L H < S+ 0 0 94 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.964 111.2 41.2 -58.0 -56.7 18.2 21.1 14.8 25 29 A V H >< S+ 0 0 96 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.941 113.0 56.5 -57.7 -45.2 20.6 18.6 16.4 26 30 A K H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.911 102.9 53.2 -55.3 -43.6 21.8 21.2 18.8 27 31 A G T >< S+ 0 0 20 -4,-2.4 3,-1.1 -5,-0.2 2,-0.4 0.541 81.4 114.8 -76.3 0.9 18.3 21.9 20.2 28 32 A M T < S+ 0 0 143 -3,-1.8 3,-0.1 -4,-0.4 -3,-0.0 -0.594 80.9 20.3 -71.6 126.6 17.8 18.2 20.9 29 33 A G T 3 S+ 0 0 78 -2,-0.4 -1,-0.2 1,-0.4 -2,-0.1 -0.036 85.3 134.5 106.3 -28.4 17.5 17.8 24.7 30 34 A V < + 0 0 32 -3,-1.1 -1,-0.4 -4,-0.2 -3,-0.0 -0.302 18.2 164.1 -56.6 126.2 16.6 21.4 25.5 31 35 A S + 0 0 95 -3,-0.1 -1,-0.2 -2,-0.1 3,-0.0 0.566 37.4 111.1-118.1 -14.8 13.7 21.3 27.9 32 36 A D > - 0 0 42 1,-0.2 4,-3.1 2,-0.1 5,-0.2 -0.477 64.3-144.1 -63.4 116.6 13.9 24.9 29.2 33 37 A P H > S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.820 99.0 49.3 -48.1 -40.2 10.7 26.5 27.8 34 38 A D H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.960 112.7 45.6 -69.8 -48.5 12.4 29.8 27.2 35 39 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 106.3 63.4 -56.2 -42.2 15.4 28.2 25.4 36 40 A K H X S+ 0 0 120 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.866 101.0 51.1 -49.1 -45.0 12.8 26.1 23.5 37 41 A K H X S+ 0 0 92 -4,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.937 109.3 48.7 -61.0 -47.1 11.4 29.3 21.9 38 42 A F H X S+ 0 0 9 -4,-1.6 4,-2.2 183,-0.2 -2,-0.2 0.913 112.6 49.0 -64.8 -36.8 14.8 30.6 20.8 39 43 A Y H X S+ 0 0 20 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.935 111.6 48.1 -66.9 -43.0 15.7 27.2 19.2 40 44 A A H X S+ 0 0 51 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.969 116.6 42.5 -58.8 -52.5 12.4 27.0 17.3 41 45 A I H X S+ 0 0 15 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.953 117.2 46.7 -60.4 -44.0 12.6 30.5 16.0 42 46 A T H < S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.761 113.1 47.5 -75.5 -24.3 16.3 30.2 15.2 43 47 A T H X S+ 0 0 20 -4,-2.1 4,-1.3 -3,-0.2 -1,-0.2 0.833 108.6 55.7 -79.8 -39.7 16.1 26.8 13.4 44 48 A L H X S+ 0 0 89 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.879 95.6 67.3 -61.5 -37.4 13.1 27.8 11.3 45 49 A V H X S+ 0 0 2 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.964 107.9 34.3 -57.3 -55.8 14.8 30.8 9.8 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.813 112.8 63.9 -72.7 -17.0 17.5 28.9 7.8 47 51 A A H X S+ 0 0 29 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.957 107.4 41.4 -64.4 -46.6 14.9 26.1 7.1 48 52 A I H X S+ 0 0 39 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.943 114.2 52.3 -64.4 -43.7 12.8 28.6 5.2 49 53 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.3 5,-0.3 0.910 103.7 58.7 -61.5 -39.2 15.8 30.1 3.5 50 54 A F H X S+ 0 0 78 -4,-2.7 4,-2.5 -34,-0.2 5,-0.3 0.948 106.5 47.3 -51.5 -49.6 16.9 26.7 2.4 51 55 A T H X S+ 0 0 65 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.917 114.1 45.9 -63.0 -37.2 13.7 26.1 0.5 52 56 A M H X S+ 0 0 39 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.918 110.6 52.4 -77.3 -36.0 13.7 29.5 -1.2 53 57 A Y H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 5,-0.2 0.938 111.3 49.0 -57.4 -43.3 17.4 29.2 -2.2 54 58 A L H X S+ 0 0 60 -4,-2.5 4,-2.8 -5,-0.3 6,-0.3 0.948 107.0 54.5 -66.0 -37.6 16.6 25.9 -3.7 55 59 A S H X>S+ 0 0 15 -4,-2.1 6,-2.1 -5,-0.3 5,-1.0 0.917 111.2 45.5 -63.2 -31.0 13.6 27.4 -5.5 56 60 A M H ><5S+ 0 0 1 -4,-1.9 3,-1.0 4,-0.2 -2,-0.2 0.961 110.6 53.9 -72.2 -43.1 15.9 30.0 -7.1 57 61 A L H 3<5S+ 0 0 38 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.890 111.1 44.6 -52.5 -47.4 18.5 27.3 -7.9 58 62 A L H 3<5S- 0 0 129 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.565 117.3-113.3 -79.6 -5.1 16.0 25.2 -9.8 59 63 A G T X<5S+ 0 0 27 -3,-1.0 3,-1.0 -4,-0.5 -3,-0.2 0.385 87.5 112.2 95.1 -4.2 14.6 28.3 -11.5 60 64 A Y T 3 +A 70 0A 14 3,-1.7 3,-2.2 -2,-0.5 59,-0.1 -0.935 63.8 24.8-161.3 159.4 11.4 47.7 -17.5 68 72 A G T 3 S- 0 0 59 57,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.803 130.3 -71.2 48.9 32.1 13.9 50.0 -19.2 69 73 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.735 113.2 100.6 50.3 31.8 12.7 48.2 -22.4 70 74 A E E < S-A 67 0A 132 -3,-2.2 -3,-1.7 -5,-0.1 2,-0.8 -0.832 81.3-106.6-129.8 171.8 14.5 44.9 -21.5 71 75 A Q E -A 66 0A 132 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.882 41.0-162.1 -99.1 99.4 13.5 41.6 -19.9 72 76 A N E -A 65 0A 25 -7,-2.6 -7,-2.8 -2,-0.8 2,-0.3 -0.728 15.4-131.5 -93.1 118.7 15.0 41.8 -16.4 73 77 A P E -A 64 0A 40 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.500 29.6-174.0 -64.6 120.8 15.5 38.5 -14.4 74 78 A I E -A 63 0A 0 -11,-3.6 -11,-2.6 -2,-0.3 2,-1.4 -0.968 22.4-145.1-124.6 119.9 14.1 39.1 -11.0 75 79 A Y > + 0 0 1 -2,-0.5 3,-0.8 -13,-0.2 4,-0.3 -0.642 24.6 173.2 -77.5 92.7 14.4 36.5 -8.2 76 80 A W T >> + 0 0 81 -2,-1.4 3,-1.7 -15,-0.4 4,-1.1 0.779 64.0 78.6 -74.3 -23.3 11.0 37.0 -6.4 77 81 A A H 3> S+ 0 0 0 -16,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.815 79.0 70.9 -60.9 -20.5 11.5 34.1 -4.1 78 82 A R H <> S+ 0 0 4 -3,-0.8 4,-2.7 -17,-0.3 -1,-0.3 0.896 97.0 51.3 -58.7 -34.1 13.8 36.2 -1.9 79 83 A Y H <> S+ 0 0 7 -3,-1.7 4,-2.3 -4,-0.3 -1,-0.2 0.873 105.1 54.5 -75.0 -33.2 10.8 38.2 -0.8 80 84 A A H X S+ 0 0 31 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.892 112.5 45.8 -62.6 -37.3 8.8 35.1 0.1 81 85 A D H >X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 3,-1.2 0.991 115.0 44.4 -58.8 -61.7 11.8 34.1 2.3 82 86 A W H 3X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.803 99.9 70.0 -63.9 -30.2 12.2 37.5 3.9 83 87 A L H 3< S+ 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.894 117.4 22.6 -54.7 -34.9 8.5 38.0 4.5 84 88 A F H S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.933 111.6 53.3 -64.3 -33.5 10.0 39.0 11.6 88 92 A L H X S+ 0 0 38 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.932 107.2 51.1 -62.1 -38.1 11.2 35.8 13.1 89 93 A L H X S+ 0 0 17 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.920 111.2 48.3 -64.4 -41.0 14.7 37.4 13.5 90 94 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.820 106.2 57.5 -66.6 -30.3 13.1 40.4 15.2 91 95 A L H X S+ 0 0 52 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.921 101.7 56.4 -67.2 -38.4 11.1 38.1 17.4 92 96 A D H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.918 112.4 41.8 -57.3 -45.9 14.4 36.5 18.7 93 97 A L H X S+ 0 0 4 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.929 114.0 51.8 -67.4 -43.7 15.6 40.0 19.7 94 98 A A H <>S+ 0 0 1 -4,-2.6 5,-2.8 1,-0.2 4,-0.3 0.836 110.5 47.5 -62.5 -35.1 12.3 41.0 21.1 95 99 A L H ><5S+ 0 0 53 -4,-2.5 3,-0.6 3,-0.2 -1,-0.2 0.876 105.6 59.8 -74.4 -38.7 12.0 37.9 23.3 96 100 A L H 3<5S+ 0 0 10 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.913 115.1 34.6 -51.4 -48.1 15.6 38.3 24.6 97 101 A V T 3<5S- 0 0 21 -4,-1.7 -1,-0.2 58,-0.1 -2,-0.2 0.398 108.4-121.9 -94.4 2.7 14.7 41.8 26.0 98 102 A D T < 5 - 0 0 137 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.926 40.9-162.3 62.8 40.1 11.1 40.8 27.0 99 103 A A < - 0 0 15 -5,-2.8 -1,-0.1 -6,-0.1 2,-0.1 -0.129 23.3 -98.4 -57.3 152.1 9.6 43.6 24.9 100 104 A D > - 0 0 122 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.376 32.0-119.1 -63.9 147.7 6.1 44.8 25.4 101 105 A Q H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 113.3 60.4 -62.1 -32.9 3.6 43.2 22.9 102 106 A G H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 106.6 46.4 -62.0 -38.0 2.8 46.7 21.5 103 107 A T H > S+ 0 0 42 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.887 110.1 53.2 -70.3 -38.6 6.4 47.1 20.5 104 108 A I H X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.915 109.3 49.1 -64.3 -37.7 6.6 43.6 19.0 105 109 A L H X S+ 0 0 127 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.936 109.3 52.2 -70.0 -35.8 3.5 44.4 16.9 106 110 A A H X S+ 0 0 33 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.939 112.9 46.4 -58.8 -42.4 5.1 47.6 15.7 107 111 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.962 113.2 44.6 -68.3 -54.3 8.2 45.8 14.7 108 112 A V H X S+ 0 0 55 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.929 116.3 49.1 -56.9 -40.2 6.6 42.8 12.8 109 113 A G H X S+ 0 0 33 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.949 109.5 49.1 -69.0 -42.6 4.2 45.2 11.0 110 114 A A H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.892 111.4 53.4 -58.0 -35.9 6.9 47.6 10.0 111 115 A D H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.4 0.922 105.1 52.0 -66.6 -41.9 8.8 44.6 8.7 112 116 A G H X S+ 0 0 30 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.926 110.3 49.2 -63.0 -36.3 5.9 43.4 6.6 113 117 A I H X S+ 0 0 97 -4,-2.1 4,-2.5 -5,-0.2 5,-0.4 0.953 109.0 53.9 -65.2 -43.0 5.7 46.8 5.1 114 118 A M H X S+ 0 0 18 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.940 115.7 37.3 -53.5 -51.7 9.5 46.7 4.4 115 119 A I H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.942 115.8 51.7 -73.4 -43.0 9.4 43.4 2.5 116 120 A G H X S+ 0 0 29 -4,-2.5 4,-2.3 -5,-0.4 -2,-0.2 0.926 111.6 45.9 -61.8 -37.4 6.1 43.9 0.8 117 121 A T H X S+ 0 0 18 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.876 110.3 55.4 -73.0 -31.6 7.0 47.3 -0.7 118 122 A G H X S+ 0 0 9 -4,-1.6 4,-2.3 -5,-0.4 -2,-0.2 0.934 108.5 49.0 -60.6 -39.2 10.4 45.8 -1.7 119 123 A L H X S+ 0 0 59 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.936 110.6 49.0 -64.8 -45.6 8.5 43.1 -3.6 120 124 A V H X S+ 0 0 61 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.954 111.6 50.2 -59.4 -44.4 6.3 45.7 -5.3 121 125 A G H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.946 107.9 53.8 -59.0 -38.3 9.3 47.6 -6.2 122 126 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.0 38.2 -64.6 -31.1 11.0 44.5 -7.6 123 127 A L H 3< S+ 0 0 72 -4,-1.7 -1,-0.2 -3,-0.4 2,-0.2 0.444 86.2 117.2-100.1 -2.4 8.0 43.8 -9.9 124 128 A T << - 0 0 26 -4,-1.3 6,-0.1 -3,-0.6 -59,-0.0 -0.451 49.5-158.4 -68.8 131.6 7.1 47.4 -11.0 125 129 A K S S+ 0 0 146 -2,-0.2 2,-0.8 1,-0.1 -57,-0.3 0.696 72.0 84.2 -90.0 -14.6 7.5 47.9 -14.8 126 130 A V S >> S- 0 0 76 1,-0.2 4,-1.1 -59,-0.1 3,-0.7 -0.805 74.4-149.2 -88.6 106.6 7.8 51.7 -14.7 127 131 A Y H >> S+ 0 0 91 -2,-0.8 3,-1.1 1,-0.2 4,-0.7 0.888 89.3 49.4 -49.0 -53.9 11.5 52.2 -13.9 128 132 A S H >> S+ 0 0 85 1,-0.2 3,-0.8 2,-0.2 4,-0.7 0.895 107.0 57.5 -57.7 -33.6 11.4 55.5 -12.0 129 133 A Y H X> S+ 0 0 138 -3,-0.7 4,-1.8 1,-0.2 3,-0.6 0.813 88.8 74.5 -68.9 -24.6 8.7 54.1 -9.7 130 134 A R H X S+ 0 0 139 -4,-2.5 4,-3.3 -5,-0.2 3,-0.7 0.922 108.6 47.4 -53.3 -48.1 15.5 53.0 15.5 147 151 A V H 3X S+ 0 0 11 -4,-2.1 4,-1.5 1,-0.3 5,-0.3 0.902 106.7 55.9 -67.3 -37.0 13.3 50.9 17.7 148 152 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.755 119.5 35.5 -65.2 -21.3 16.0 48.3 18.2 149 153 A F H << S+ 0 0 73 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.734 131.4 20.9-103.8 -32.2 18.2 51.2 19.4 150 154 A F H < S+ 0 0 148 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.1 0.260 110.5 67.0-127.0 15.5 16.0 53.6 21.3 151 155 A G < 0 0 47 -4,-1.5 -3,-0.1 -5,-0.3 -4,-0.1 0.561 360.0 360.0-109.0 -14.2 12.9 51.6 22.4 152 156 A F 0 0 89 -5,-0.3 -2,-0.1 -53,-0.1 -1,-0.1 0.495 360.0 360.0 -99.9 360.0 14.6 49.2 24.8 153 ! 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 0.0 154 162 A S 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.8 16.6 45.8 34.4 155 163 A M - 0 0 78 1,-0.1 -58,-0.1 2,-0.1 -59,-0.0 -0.336 360.0 -95.4 -61.9 152.7 17.5 42.8 32.1 156 164 A R >> - 0 0 90 1,-0.1 4,-1.6 64,-0.1 3,-1.3 -0.512 42.5-108.2 -62.2 147.0 20.0 40.4 33.8 157 165 A P H 3> S+ 0 0 110 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.782 118.3 60.8 -47.7 -38.2 23.5 41.5 32.5 158 166 A E H 3> S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.854 104.4 49.1 -60.1 -39.4 23.7 38.3 30.3 159 167 A V H <> S+ 0 0 7 -3,-1.3 4,-2.6 1,-0.2 5,-0.3 0.967 111.5 47.4 -65.4 -48.4 20.6 39.4 28.4 160 168 A A H X S+ 0 0 17 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.890 111.9 51.8 -61.4 -40.4 21.9 43.0 27.8 161 169 A S H X S+ 0 0 71 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.940 114.2 39.7 -59.2 -54.2 25.4 41.7 26.7 162 170 A T H X S+ 0 0 19 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.861 114.9 54.2 -69.7 -35.8 24.1 39.2 24.1 163 171 A F H X S+ 0 0 2 -4,-2.6 4,-3.2 -5,-0.3 5,-0.3 0.935 104.7 54.0 -65.8 -41.8 21.4 41.6 22.9 164 172 A K H X S+ 0 0 108 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.918 110.7 46.6 -60.6 -38.2 24.0 44.4 22.4 165 173 A V H X S+ 0 0 69 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.947 115.2 44.2 -66.4 -48.6 26.1 42.1 20.1 166 174 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.903 111.5 54.5 -67.5 -36.7 23.1 40.8 18.1 167 175 A R H X S+ 0 0 42 -4,-3.2 4,-2.4 -5,-0.3 5,-0.3 0.936 109.4 47.5 -61.1 -40.5 21.7 44.3 17.7 168 176 A N H X S+ 0 0 87 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.898 111.8 50.5 -68.0 -35.0 25.0 45.5 16.3 169 177 A V H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.903 111.0 50.3 -62.3 -41.8 25.1 42.6 13.9 170 178 A T H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 5,-0.5 0.921 108.4 49.6 -67.9 -46.2 21.6 43.3 12.8 171 179 A V H X S+ 0 0 27 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.957 114.0 45.7 -61.1 -44.9 22.0 46.9 12.0 172 180 A V H X S+ 0 0 105 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.957 119.1 38.9 -65.8 -43.0 25.1 46.4 10.0 173 181 A L H >X S+ 0 0 28 -4,-2.4 4,-0.8 -5,-0.2 3,-0.7 0.959 116.3 47.9 -75.4 -43.8 23.9 43.5 7.9 174 182 A W H >< S+ 0 0 15 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.898 105.5 60.1 -64.8 -38.1 20.3 44.6 7.3 175 183 A S H 3X S+ 0 0 43 -4,-1.8 4,-0.7 -5,-0.5 -1,-0.2 0.782 98.7 60.3 -59.3 -24.9 21.5 48.1 6.3 176 184 A A H S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.881 111.1 51.9 -60.8 -31.0 18.9 48.3 0.4 179 187 A V H X S+ 0 0 77 -4,-0.7 4,-2.3 -3,-0.2 5,-0.3 0.952 108.6 48.3 -68.0 -43.5 22.3 49.2 -1.0 180 188 A V H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 7,-0.2 0.948 113.7 48.3 -61.6 -41.6 22.8 45.9 -2.9 181 189 A W H < S+ 0 0 15 -4,-2.4 6,-0.6 -5,-0.2 5,-0.2 0.948 110.4 51.8 -60.2 -46.6 19.3 46.2 -4.3 182 190 A L H < S+ 0 0 57 -4,-2.3 6,-3.0 -5,-0.3 7,-0.2 0.897 118.0 35.6 -59.1 -40.4 19.9 49.8 -5.4 183 191 A I H < S+ 0 0 49 -4,-2.3 8,-2.2 4,-0.2 7,-1.8 0.686 111.7 78.8 -89.6 -17.4 23.1 49.0 -7.2 184 192 A G S ><>S- 0 0 0 -4,-1.8 5,-2.3 -5,-0.3 3,-1.6 0.025 102.9 -75.7 -86.8-170.3 21.9 45.6 -8.5 185 193 A S T 3 5S+ 0 0 21 1,-0.3 -4,-0.1 6,-0.2 8,-0.1 0.645 126.7 56.9 -66.0 -19.2 19.7 44.3 -11.3 186 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.622 122.9 18.3 -79.5 -21.9 16.5 45.3 -9.4 187 195 A G T < 5S- 0 0 2 -3,-1.6 -4,-0.2 -6,-0.6 -5,-0.2 0.413 133.4 -12.6-116.4-113.5 17.6 48.9 -9.2 188 196 A A T 5S- 0 0 41 -6,-3.0 -5,-0.2 -7,-0.2 -3,-0.2 0.624 74.3-131.0 -79.7 -15.5 20.3 50.8 -11.2 189 197 A G < + 0 0 51 -5,-2.3 -5,-0.2 -7,-0.2 -4,-0.2 0.844 64.4 133.5 72.3 29.1 21.9 47.8 -12.8 190 198 A I + 0 0 126 -7,-1.8 -6,-0.2 -6,-0.2 -7,-0.1 0.682 68.0 47.2 -82.6 -30.7 25.4 48.9 -11.9 191 199 A V S S- 0 0 30 -8,-2.2 -6,-0.2 -11,-0.1 -1,-0.1 -0.964 94.9-114.7-114.2 131.5 26.4 45.5 -10.6 192 200 A P > - 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.122 27.7-109.3 -62.0 160.7 25.6 42.3 -12.6 193 201 A L H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 115.9 57.0 -59.8 -37.1 23.2 39.7 -11.3 194 202 A N H > S+ 0 0 54 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.926 110.9 43.1 -66.5 -38.3 25.8 37.1 -10.6 195 203 A I H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 113.1 52.4 -72.0 -38.3 27.7 39.5 -8.3 196 204 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.945 107.7 51.8 -57.0 -42.8 24.5 40.7 -6.7 197 205 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.896 108.6 51.7 -64.5 -39.1 23.5 37.1 -6.0 198 206 A L H X S+ 0 0 46 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.936 108.9 50.3 -60.6 -44.0 26.8 36.5 -4.3 199 207 A L H X S+ 0 0 64 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.946 111.2 47.5 -61.8 -43.6 26.4 39.6 -2.1 200 208 A F H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.878 108.7 55.5 -69.2 -29.4 23.0 38.5 -1.0 201 209 A M H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.940 109.4 46.0 -64.4 -47.6 24.2 35.0 -0.3 202 210 A V H X S+ 0 0 76 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.951 115.2 46.7 -60.3 -44.4 26.9 36.3 2.1 203 211 A L H X S+ 0 0 23 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.968 113.7 48.5 -62.6 -46.7 24.5 38.6 3.8 204 212 A D H X>S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.5 0.927 111.4 47.5 -60.0 -48.1 21.8 35.9 4.2 205 213 A V H X>S+ 0 0 27 -4,-2.7 5,-2.6 -5,-0.2 4,-0.9 0.939 116.8 44.8 -63.8 -37.6 24.1 33.3 5.6 206 214 A S H <>S+ 0 0 47 -4,-2.0 5,-2.2 -5,-0.3 -2,-0.2 0.929 114.8 47.6 -66.9 -39.6 25.6 35.7 8.1 207 215 A A H <5S+ 0 0 2 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.828 126.8 26.3 -74.4 -26.3 22.3 37.2 9.1 208 216 A K H X5S+ 0 0 5 -4,-2.2 4,-1.8 -5,-0.2 -3,-0.2 0.870 134.5 23.0-100.8 -63.8 20.7 33.7 9.6 209 217 A V H XX S+ 0 0 65 -4,-2.2 3,-0.7 -5,-0.2 4,-0.6 0.955 117.0 43.3 -58.5 -48.0 26.0 33.7 18.3 215 223 A L H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.926 111.7 49.9 -65.6 -47.5 22.5 33.5 20.0 216 224 A L H 3< S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.437 106.4 58.3 -75.9 -2.8 22.3 29.8 20.6 217 225 A R H << S+ 0 0 170 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.662 91.9 88.4 -98.6 -18.1 25.7 29.7 22.2 218 226 A S S X< S- 0 0 23 -3,-1.2 3,-0.8 -4,-0.6 -59,-0.0 -0.416 73.0-139.2 -81.6 148.9 24.7 32.3 24.9 219 227 A R G > S+ 0 0 171 1,-0.2 3,-2.0 -2,-0.1 -1,-0.1 0.545 89.7 92.6 -82.6 -4.3 23.1 31.5 28.3 220 228 A A G 3 S+ 0 0 4 1,-0.3 -1,-0.2 -62,-0.2 -64,-0.1 0.792 76.2 62.0 -59.7 -26.0 21.0 34.5 27.7 221 229 A I G < S+ 0 0 1 -3,-0.8 2,-0.3 -6,-0.3 -1,-0.3 0.516 91.2 82.8 -80.1 -3.7 18.3 32.2 26.1 222 230 A F < 0 0 41 -3,-2.0 -3,-0.0 -188,-0.1 0, 0.0 -0.776 360.0 360.0-106.5 144.6 17.8 30.2 29.4 223 231 A G 0 0 78 -2,-0.3 -1,-0.1 0, 0.0 -191,-0.0 -0.044 360.0 360.0 -68.6 360.0 15.5 31.0 32.3