==== 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 08-NOV-06 2NTU . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR J.K.LANYI,B.SCHOBERT . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 87.4 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 . 7 3.2 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 . 5 2.3 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 . 5 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 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 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 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 96 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 179.9 22.9 25.6 -15.2 2 6 A G + 0 0 85 4,-0.1 3,-0.1 3,-0.1 0, 0.0 0.292 360.0 94.5 -76.3 8.4 23.2 28.3 -17.8 3 7 A R > - 0 0 47 1,-0.2 3,-2.6 191,-0.0 4,-0.3 -0.914 69.0-151.0-105.0 118.9 22.8 30.9 -15.1 4 8 A P T > S+ 0 0 87 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.876 95.7 61.5 -61.2 -33.6 26.2 32.1 -13.9 5 9 A E T >> S+ 0 0 10 1,-0.2 4,-1.7 2,-0.1 3,-0.9 0.554 75.9 98.2 -68.3 -2.6 24.7 32.9 -10.5 6 10 A W H <> S+ 0 0 108 -3,-2.6 4,-2.7 1,-0.3 5,-0.3 0.889 75.0 59.5 -55.3 -40.4 23.8 29.1 -10.1 7 11 A I H <> S+ 0 0 67 -3,-0.9 4,-2.6 -4,-0.3 -1,-0.3 0.913 105.9 45.3 -59.0 -36.6 26.9 28.5 -8.0 8 12 A W H <> S+ 0 0 69 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.2 0.855 111.7 52.8 -77.3 -28.5 26.0 30.9 -5.3 9 13 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.867 111.9 47.0 -68.8 -36.1 22.5 29.7 -5.2 10 14 A A H X S+ 0 0 27 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.939 113.4 47.0 -67.2 -51.1 23.9 26.1 -4.8 11 15 A L H X S+ 0 0 70 -4,-2.6 4,-2.5 -5,-0.3 5,-0.3 0.899 113.4 49.5 -56.9 -37.3 26.3 27.1 -2.0 12 16 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.933 110.1 50.4 -70.5 -37.9 23.5 29.1 -0.3 13 17 A T H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.970 113.7 45.6 -56.2 -53.6 21.2 26.1 -0.5 14 18 A A H X S+ 0 0 42 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.953 113.7 47.6 -58.1 -47.5 23.8 23.9 1.0 15 19 A L H X S+ 0 0 61 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.951 113.3 47.2 -66.4 -35.2 24.8 26.2 3.8 16 20 A M H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 34,-0.2 0.906 112.2 51.2 -72.2 -31.1 21.3 26.9 4.8 17 21 A G H X S+ 0 0 12 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.937 112.3 46.6 -64.5 -50.4 20.5 23.2 4.7 18 22 A L H X S+ 0 0 110 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.903 110.8 50.5 -62.4 -43.2 23.6 22.5 6.9 19 23 A G H X S+ 0 0 6 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.939 110.0 52.5 -63.5 -35.3 22.8 25.2 9.4 20 24 A T H X S+ 0 0 16 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.956 111.9 44.0 -64.4 -47.6 19.2 23.9 9.7 21 25 A L H X S+ 0 0 112 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.945 112.9 52.9 -66.7 -38.6 20.4 20.4 10.4 22 26 A Y H X S+ 0 0 102 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.964 112.9 43.0 -54.9 -49.8 23.0 21.7 12.9 23 27 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.892 111.9 54.5 -71.4 -31.2 20.5 23.8 14.9 24 28 A L H < S+ 0 0 98 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.942 112.6 42.8 -62.8 -49.3 18.0 21.0 14.8 25 29 A V H >< S+ 0 0 88 -4,-2.5 3,-2.7 -5,-0.2 -2,-0.2 0.990 113.6 52.8 -56.4 -57.5 20.5 18.5 16.3 26 30 A K H 3< S+ 0 0 58 -4,-3.1 4,-0.2 1,-0.3 -2,-0.2 0.856 104.7 53.6 -48.5 -42.0 21.7 21.1 18.8 27 31 A G T >< S+ 0 0 20 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.3 0.570 82.6 113.0 -78.9 -1.6 18.3 21.9 20.1 28 32 A M T < S+ 0 0 143 -3,-2.7 3,-0.1 -4,-0.4 -3,-0.0 -0.453 77.6 28.9 -62.9 132.4 17.8 18.2 20.7 29 33 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 -0.163 85.0 137.6 115.0 -48.1 17.7 17.8 24.5 30 34 A V < + 0 0 31 -3,-1.1 -1,-0.3 -4,-0.2 -3,-0.0 -0.023 14.3 158.8 -62.4 126.6 16.2 21.2 25.3 31 35 A S + 0 0 94 -3,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.683 41.0 105.8-114.6 -25.6 13.5 21.3 28.0 32 36 A D > - 0 0 38 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.487 66.5-143.8 -60.4 118.5 13.6 24.9 29.2 33 37 A P H > S+ 0 0 82 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.825 98.1 53.1 -55.8 -35.1 10.5 26.3 27.5 34 38 A D H >> S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.935 110.6 44.7 -66.0 -48.3 12.3 29.7 27.0 35 39 A A H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.872 106.9 61.6 -61.0 -38.5 15.2 28.1 25.2 36 40 A K H 3X S+ 0 0 118 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.848 101.5 54.1 -56.6 -34.9 12.8 26.0 23.3 37 41 A K H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.813 113.4 62.1 -75.2 -13.7 17.4 28.8 7.7 47 51 A A H X S+ 0 0 29 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.952 108.7 42.7 -68.7 -41.5 15.0 26.0 7.0 48 52 A I H X S+ 0 0 40 -4,-2.8 4,-2.0 -5,-0.2 5,-0.2 0.955 113.9 51.1 -62.7 -44.5 12.7 28.5 5.2 49 53 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.3 5,-0.3 0.918 105.2 57.7 -61.7 -37.9 15.7 30.0 3.5 50 54 A F H X S+ 0 0 78 -4,-2.5 4,-2.5 -34,-0.2 5,-0.2 0.942 106.8 48.1 -51.6 -50.1 16.9 26.6 2.4 51 55 A T H X S+ 0 0 63 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.896 114.2 44.8 -65.3 -34.5 13.6 26.1 0.6 52 56 A M H X S+ 0 0 39 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.901 111.9 51.5 -80.6 -35.6 13.7 29.4 -1.1 53 57 A Y H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.2 5,-0.2 0.944 111.7 48.8 -56.7 -43.3 17.4 29.1 -2.1 54 58 A L H X S+ 0 0 60 -4,-2.5 4,-2.5 -5,-0.3 6,-0.3 0.953 108.0 53.7 -65.7 -36.6 16.6 25.8 -3.6 55 59 A S H X>S+ 0 0 17 -4,-2.0 6,-2.0 -5,-0.2 5,-0.9 0.906 111.3 46.3 -66.9 -29.4 13.6 27.2 -5.5 56 60 A M H ><5S+ 0 0 1 -4,-2.1 3,-0.9 4,-0.2 -1,-0.2 0.957 109.7 54.2 -71.4 -43.4 15.9 29.8 -7.0 57 61 A L H 3<5S+ 0 0 31 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 111.0 45.2 -52.8 -44.9 18.5 27.2 -7.8 58 62 A L H 3<5S- 0 0 123 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.545 117.9-108.7 -82.3 -6.3 15.9 25.1 -9.7 59 63 A G T X<5S+ 0 0 28 -3,-0.9 3,-1.0 -4,-0.6 -3,-0.2 0.309 90.3 108.8 106.2 -11.6 14.4 28.1 -11.6 60 64 A Y T 3 +A 70 0A 10 3,-2.2 3,-1.5 -2,-0.4 59,-0.1 -0.961 60.9 22.0-161.2 163.0 11.5 47.5 -17.4 68 72 A G T 3 S- 0 0 47 57,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.812 133.6 -65.9 42.3 38.9 13.7 50.1 -19.0 69 73 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.827 115.4 101.0 49.8 45.0 12.5 48.1 -22.1 70 74 A E E < S-A 67 0A 121 -3,-1.5 -3,-2.2 -5,-0.1 2,-1.1 -0.990 79.2-108.7-148.6 154.7 14.3 44.9 -21.1 71 75 A Q E -A 66 0A 126 -2,-0.3 -3,-0.0 -5,-0.2 -7,-0.0 -0.754 40.0-164.8 -89.9 101.8 13.5 41.5 -19.6 72 76 A N E -A 65 0A 28 -7,-2.2 -7,-2.9 -2,-1.1 2,-0.8 -0.706 18.6-129.4 -88.8 123.6 15.1 41.7 -16.2 73 77 A P E -A 64 0A 42 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.596 31.1-172.1 -73.1 108.8 15.5 38.4 -14.3 74 78 A I E -A 63 0A 0 -11,-3.6 -11,-2.5 -2,-0.8 2,-1.3 -0.917 21.4-145.1-111.2 122.5 14.0 39.0 -10.9 75 79 A Y E > +A 62 0A 1 -2,-0.6 3,-0.6 -13,-0.2 4,-0.3 -0.656 25.2 171.7 -77.8 93.9 14.4 36.5 -8.1 76 80 A W T >> + 0 0 77 -2,-1.3 3,-1.5 -15,-0.5 4,-1.3 0.730 63.6 78.8 -78.4 -21.9 11.0 37.0 -6.3 77 81 A A H 3> S+ 0 0 0 -16,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.842 79.7 69.7 -61.7 -21.2 11.5 34.0 -4.0 78 82 A R H <> S+ 0 0 2 -3,-0.6 4,-2.7 -17,-0.3 -1,-0.3 0.902 97.6 51.0 -59.4 -34.7 13.8 36.1 -1.8 79 83 A Y H <> S+ 0 0 5 -3,-1.5 4,-2.1 -4,-0.3 -1,-0.2 0.868 106.2 53.3 -75.4 -32.5 10.7 38.1 -0.7 80 84 A A H X S+ 0 0 30 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.896 113.4 45.8 -63.7 -33.7 8.8 35.0 0.2 81 85 A D H >X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 3,-1.3 0.990 115.5 43.5 -58.1 -64.4 11.8 34.0 2.3 82 86 A W H 3X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.823 99.9 71.3 -59.9 -31.9 12.2 37.3 4.0 83 87 A L H 3< S+ 0 0 77 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.898 117.5 21.2 -53.7 -34.7 8.5 37.8 4.5 84 88 A F H S+ 0 0 22 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.909 111.2 54.5 -64.2 -33.7 10.1 38.9 11.5 88 92 A L H X S+ 0 0 37 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.939 107.0 50.8 -61.6 -40.9 11.3 35.7 13.0 89 93 A L H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.921 111.7 48.4 -63.2 -42.8 14.8 37.2 13.4 90 94 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.888 106.0 56.4 -64.9 -33.1 13.1 40.2 15.1 91 95 A L H X S+ 0 0 52 -4,-2.7 4,-3.2 -5,-0.2 5,-0.3 0.946 103.7 54.7 -63.9 -41.7 11.1 38.0 17.3 92 96 A D H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.923 112.8 43.0 -53.9 -47.5 14.4 36.4 18.6 93 97 A L H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.951 114.6 50.8 -63.8 -43.8 15.7 39.9 19.5 94 98 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.3 0.909 110.2 47.4 -63.9 -42.7 12.4 40.9 21.0 95 99 A L H ><5S+ 0 0 49 -4,-3.2 3,-1.0 2,-0.2 -1,-0.2 0.868 103.2 63.2 -67.7 -36.3 12.1 37.9 23.2 96 100 A L H 3<5S+ 0 0 10 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.938 113.0 35.6 -51.1 -48.8 15.6 38.2 24.5 97 101 A V T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 62,-0.1 -2,-0.2 0.374 110.4-117.9 -93.6 8.3 14.7 41.5 26.0 98 102 A D T < 5 - 0 0 141 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.940 42.8-162.5 64.9 39.6 11.1 40.7 27.0 99 103 A A < - 0 0 17 -5,-2.5 -1,-0.1 -6,-0.1 53,-0.1 -0.280 21.8-102.9 -59.6 147.5 9.7 43.3 24.8 100 104 A D > - 0 0 126 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.274 31.5-115.7 -59.4 149.3 6.1 44.6 25.3 101 105 A Q H > S+ 0 0 170 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.883 114.4 60.1 -62.4 -33.3 3.7 43.1 22.8 102 106 A G H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 106.1 46.9 -63.2 -35.9 3.0 46.6 21.3 103 107 A T H > S+ 0 0 33 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.906 111.3 51.3 -73.0 -39.0 6.7 46.9 20.4 104 108 A I H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.924 109.8 49.3 -62.3 -41.0 6.7 43.4 18.9 105 109 A L H X S+ 0 0 128 -4,-2.9 4,-2.3 -5,-0.2 5,-0.3 0.961 110.2 52.3 -67.7 -37.8 3.6 44.2 16.8 106 110 A A H X S+ 0 0 31 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.932 112.4 45.1 -54.2 -45.2 5.3 47.4 15.6 107 111 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.967 114.4 45.7 -66.7 -53.6 8.4 45.6 14.6 108 112 A V H X S+ 0 0 53 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.921 116.5 46.2 -58.1 -41.3 6.7 42.7 12.8 109 113 A G H X S+ 0 0 33 -4,-2.3 4,-2.1 -5,-0.4 -1,-0.2 0.940 111.7 49.2 -74.2 -37.8 4.3 45.0 10.9 110 114 A A H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.916 112.1 52.1 -60.7 -35.8 7.0 47.5 9.9 111 115 A D H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.943 106.2 52.0 -64.0 -45.9 8.9 44.4 8.7 112 116 A G H X S+ 0 0 31 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.927 110.9 48.7 -54.7 -39.4 6.0 43.2 6.7 113 117 A I H X S+ 0 0 96 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.958 109.1 53.5 -65.9 -40.7 5.8 46.6 5.1 114 118 A M H X S+ 0 0 18 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.953 115.6 37.9 -57.3 -52.1 9.5 46.6 4.4 115 119 A I H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.941 116.1 51.1 -72.1 -43.3 9.4 43.3 2.6 116 120 A G H X S+ 0 0 28 -4,-2.5 4,-2.4 -5,-0.4 -2,-0.2 0.936 111.7 45.9 -64.2 -35.7 6.2 43.8 0.8 117 121 A T H X S+ 0 0 18 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.884 110.0 56.5 -73.3 -31.1 7.1 47.2 -0.6 118 122 A G H X S+ 0 0 10 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.911 109.2 47.2 -56.5 -40.4 10.4 45.6 -1.6 119 123 A L H X S+ 0 0 59 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.941 110.8 49.3 -68.0 -44.8 8.5 43.0 -3.5 120 124 A V H X S+ 0 0 63 -4,-2.4 4,-0.9 -5,-0.2 3,-0.4 0.964 112.4 49.2 -59.5 -47.1 6.2 45.5 -5.2 121 125 A G H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.921 108.4 54.5 -58.8 -37.4 9.3 47.5 -6.1 122 126 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 115.8 37.2 -65.3 -29.5 11.0 44.4 -7.5 123 127 A L H 3< S+ 0 0 72 -4,-1.7 2,-0.3 -3,-0.4 -1,-0.2 0.389 86.2 119.4-104.0 1.0 8.0 43.6 -9.8 124 128 A T << - 0 0 24 -4,-0.9 6,-0.1 -3,-0.7 -59,-0.0 -0.506 48.8-158.1 -71.6 130.5 7.2 47.2 -10.8 125 129 A K S S+ 0 0 144 -2,-0.3 2,-0.7 -58,-0.1 -57,-0.4 0.643 72.1 83.5 -91.7 -10.4 7.5 47.8 -14.6 126 130 A V S >> S- 0 0 73 1,-0.2 4,-1.2 -59,-0.1 3,-0.6 -0.865 74.4-148.7 -88.8 108.8 7.9 51.6 -14.5 127 131 A Y H >> S+ 0 0 89 -2,-0.7 3,-0.9 1,-0.2 4,-0.7 0.889 90.5 50.0 -48.6 -52.6 11.6 52.0 -13.8 128 132 A S H >> S+ 0 0 83 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.898 106.5 55.9 -57.7 -37.1 11.4 55.3 -11.9 129 133 A Y H X> S+ 0 0 135 -3,-0.6 4,-1.9 1,-0.2 3,-0.6 0.813 89.4 75.3 -71.0 -24.3 8.7 54.0 -9.6 130 134 A R H > - 0 0 94 -2,-0.2 4,-2.1 1,-0.2 3,-0.9 -0.487 58.9-124.6 -63.8 138.1 20.1 40.2 33.4 157 165 A P H 3> S+ 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.824 110.3 56.1 -52.0 -39.9 23.6 41.2 32.3 158 166 A E H 3> S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.821 105.9 49.9 -65.4 -35.4 23.8 38.1 30.1 159 167 A V H <> S+ 0 0 6 -3,-0.9 4,-3.0 2,-0.2 5,-0.3 0.983 111.3 48.5 -66.6 -48.5 20.6 39.0 28.2 160 168 A A H X S+ 0 0 11 -4,-2.1 4,-3.7 1,-0.2 5,-0.2 0.938 109.9 51.9 -55.6 -47.9 21.8 42.5 27.5 161 169 A S H X S+ 0 0 72 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.902 114.2 40.2 -58.6 -43.2 25.2 41.4 26.3 162 170 A T H X S+ 0 0 20 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.904 115.3 54.0 -74.2 -37.0 23.9 38.9 23.8 163 171 A F H X S+ 0 0 4 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.917 107.7 50.5 -62.5 -42.7 21.2 41.2 22.8 164 172 A K H X S+ 0 0 99 -4,-3.7 4,-1.8 -5,-0.3 -1,-0.2 0.912 110.7 48.0 -65.8 -34.5 23.7 44.0 22.1 165 173 A V H X S+ 0 0 67 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.950 114.2 44.5 -68.3 -43.5 25.8 41.8 19.9 166 174 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.883 110.6 56.0 -71.0 -33.0 23.0 40.4 17.8 167 175 A R H X S+ 0 0 34 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.914 109.7 46.2 -61.4 -40.7 21.5 43.9 17.5 168 176 A N H X S+ 0 0 85 -4,-1.8 4,-1.9 -5,-0.2 5,-0.3 0.900 112.1 49.9 -70.8 -38.4 24.8 45.1 16.1 169 177 A V H X S+ 0 0 36 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.925 111.4 51.5 -59.2 -42.3 25.0 42.2 13.8 170 178 A T H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.5 0.954 109.3 46.4 -66.0 -49.1 21.5 43.0 12.7 171 179 A V H X S+ 0 0 27 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.954 114.8 47.9 -61.8 -42.0 22.0 46.7 11.9 172 180 A V H X S+ 0 0 104 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.973 119.0 36.5 -64.3 -45.7 25.1 46.1 10.0 173 181 A L H >X S+ 0 0 28 -4,-2.2 3,-0.9 -5,-0.3 4,-0.8 0.969 116.6 49.2 -73.6 -46.0 23.9 43.3 7.8 174 182 A W H >< S+ 0 0 12 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.863 104.6 62.0 -63.1 -31.0 20.3 44.4 7.2 175 183 A S H 3X S+ 0 0 43 -4,-1.8 4,-0.8 -5,-0.5 -1,-0.2 0.785 97.4 58.7 -65.0 -22.8 21.6 47.8 6.3 176 184 A A H S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.899 111.6 52.2 -59.7 -33.0 18.9 48.1 0.4 179 187 A V H X S+ 0 0 77 -4,-0.8 4,-2.3 2,-0.2 5,-0.3 0.954 109.4 47.6 -64.2 -42.6 22.3 49.1 -1.0 180 188 A V H X S+ 0 0 10 -4,-2.4 4,-1.7 1,-0.2 7,-0.2 0.959 113.7 48.0 -63.2 -44.9 22.7 45.8 -2.9 181 189 A W H < S+ 0 0 15 -4,-2.5 6,-0.6 -5,-0.2 8,-0.3 0.924 110.6 52.7 -61.4 -44.1 19.2 46.1 -4.3 182 190 A L H < S+ 0 0 55 -4,-2.3 6,-3.0 -5,-0.3 -1,-0.2 0.895 118.1 33.8 -60.7 -39.7 19.8 49.7 -5.3 183 191 A I H < S+ 0 0 50 -4,-2.3 8,-2.3 4,-0.2 7,-1.5 0.644 113.7 73.2 -94.2 -11.8 23.0 49.0 -7.2 184 192 A G S ><>S- 0 0 0 -4,-1.7 5,-2.8 -5,-0.3 3,-1.2 0.081 105.0 -66.3 -92.5-157.3 22.0 45.6 -8.5 185 193 A S T 3 5S+ 0 0 18 1,-0.3 -4,-0.1 3,-0.2 8,-0.1 0.663 127.3 54.0 -71.4 -24.2 19.6 44.1 -11.0 186 194 A E T 3 5S+ 0 0 1 -5,-0.2 -1,-0.3 7,-0.0 -4,-0.1 0.588 124.4 18.8 -74.8 -22.3 16.4 45.2 -9.3 187 195 A G T < 5S- 0 0 2 -3,-1.2 -4,-0.2 -6,-0.6 -5,-0.2 0.392 132.4 -11.2-119.4-112.9 17.6 48.8 -9.2 188 196 A A T 5S- 0 0 41 -6,-3.0 -5,-0.2 -7,-0.2 -3,-0.2 0.680 74.4-131.5 -82.7 -12.8 20.3 50.7 -11.2 189 197 A G < + 0 0 52 -5,-2.8 -5,-0.2 -8,-0.3 -4,-0.2 0.802 65.3 131.4 75.0 22.9 21.9 47.6 -12.7 190 198 A I + 0 0 119 -7,-1.5 -6,-0.2 -6,-0.2 -7,-0.1 0.761 67.0 49.4 -74.3 -38.9 25.4 48.7 -11.8 191 199 A V S S- 0 0 29 -8,-2.3 -6,-0.1 -11,-0.2 -1,-0.1 -0.925 95.7-115.7-109.6 125.0 26.3 45.3 -10.3 192 200 A P > - 0 0 75 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.158 26.2-109.1 -61.4 157.9 25.6 42.2 -12.4 193 201 A L H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 115.6 55.3 -57.8 -36.8 23.1 39.6 -11.2 194 202 A N H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 111.1 43.2 -69.0 -36.4 25.8 37.0 -10.4 195 203 A I H > S+ 0 0 70 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.874 113.6 52.9 -73.9 -32.2 27.7 39.3 -8.2 196 204 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.950 107.4 50.6 -62.2 -42.1 24.5 40.5 -6.6 197 205 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.893 109.4 51.9 -67.6 -35.6 23.5 36.9 -5.9 198 206 A L H X S+ 0 0 47 -4,-1.7 4,-2.5 -5,-0.2 5,-0.3 0.957 109.3 50.2 -61.2 -45.4 26.8 36.3 -4.3 199 207 A L H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.946 111.5 46.7 -58.9 -44.1 26.4 39.3 -2.1 200 208 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.872 109.5 55.7 -70.0 -29.8 22.9 38.3 -1.0 201 209 A M H X S+ 0 0 8 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.935 109.4 45.5 -64.6 -45.9 24.2 34.8 -0.3 202 210 A V H X S+ 0 0 74 -4,-2.5 4,-2.0 -5,-0.2 5,-0.2 0.956 115.8 46.1 -62.6 -42.7 26.9 36.1 2.0 203 211 A L H X S+ 0 0 24 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.976 113.2 49.0 -62.3 -49.3 24.5 38.4 3.8 204 212 A D H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 5,-0.5 0.912 111.4 48.0 -59.7 -45.2 21.8 35.8 4.2 205 213 A V H X>S+ 0 0 28 -4,-2.5 5,-2.9 -5,-0.2 4,-1.3 0.952 116.2 45.0 -62.9 -40.3 24.0 33.1 5.6 206 214 A S H <>S+ 0 0 45 -4,-2.0 5,-1.9 -5,-0.3 -2,-0.2 0.929 113.9 48.1 -68.3 -39.2 25.6 35.6 8.0 207 215 A A H <5S+ 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.715 128.7 23.2 -72.8 -19.3 22.2 37.1 9.1 208 216 A K H X5S+ 0 0 4 -4,-1.5 4,-1.5 -5,-0.2 -3,-0.2 0.848 135.1 26.1-111.5 -63.8 20.7 33.6 9.6 209 217 A V H X5S+ 0 0 19 -4,-1.3 4,-2.2 -5,-0.5 -3,-0.2 0.921 127.6 45.4 -77.0 -45.1 23.3 31.0 10.2 210 218 A G H >X S+ 0 0 66 -4,-2.3 3,-0.8 -5,-0.2 4,-0.7 0.964 116.2 43.1 -56.9 -49.3 25.8 33.5 18.2 215 223 A L H >< S+ 0 0 0 -4,-2.6 3,-1.1 -5,-0.2 6,-0.3 0.958 112.1 49.2 -62.9 -49.0 22.4 33.3 19.8 216 224 A L H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.428 106.7 56.2 -79.7 -0.3 22.1 29.5 20.4 217 225 A R H << S+ 0 0 173 -3,-0.8 -1,-0.3 -4,-0.7 2,-0.2 0.528 92.4 93.4-101.5 -11.9 25.6 29.2 22.1 218 226 A S S X< S- 0 0 20 -3,-1.1 3,-1.0 -4,-0.7 4,-0.1 -0.486 71.3-145.4 -76.2 140.4 24.5 31.9 24.6 219 227 A R G > S+ 0 0 162 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.531 87.5 93.5 -85.9 7.1 23.0 31.0 27.9 220 228 A A G 3 S+ 0 0 3 1,-0.3 -1,-0.2 -5,-0.2 -4,-0.1 0.793 75.3 64.4 -62.1 -24.0 21.0 34.1 27.4 221 229 A I G < S+ 0 0 1 -3,-1.0 2,-0.3 -6,-0.3 -183,-0.3 0.551 89.6 79.6 -81.5 -5.4 18.3 31.8 25.9 222 230 A F < 0 0 45 -3,-1.5 -3,-0.0 -188,-0.1 0, 0.0 -0.755 360.0 360.0-101.3 148.6 17.6 29.9 29.1 223 231 A G 0 0 70 -2,-0.3 -1,-0.1 0, 0.0 -191,-0.1 -0.126 360.0 360.0 -71.3 360.0 15.4 31.0 32.0