==== 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 25-APR-02 1IW9 . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM; . AUTHOR K.TAKEDA,Y.MATSUI,N.KAMIYA,S.ADACHI,H.OKUMURA,T.KOUYAMA,RIKE . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 86.3 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 . 5 2.2 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 0.4 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 . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 2 0 1 0 0 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 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 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 0 108 0, 0.0 2,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-173.6 31.8 23.5 4.4 2 6 A G + 0 0 30 1,-0.1 60,-0.1 2,-0.1 72,-0.0 -0.507 360.0 61.1 -93.7 69.6 32.0 26.6 6.6 3 7 A R S > S+ 0 0 156 -2,-1.2 3,-1.8 0, 0.0 4,-0.2 0.388 86.5 55.6-148.7 -61.2 28.6 28.4 5.9 4 8 A P T 3 S+ 0 0 68 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.685 106.0 55.4 -59.8 -21.7 25.4 26.4 6.8 5 9 A E T >> S+ 0 0 0 -4,-0.3 3,-1.7 1,-0.2 4,-1.7 0.440 73.1 105.6 -91.9 -0.3 26.5 25.9 10.4 6 10 A W H <> S+ 0 0 118 -3,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.809 73.6 62.3 -47.3 -33.7 27.0 29.6 11.0 7 11 A I H 3> S+ 0 0 72 -3,-0.5 4,-2.5 2,-0.2 -1,-0.3 0.848 101.5 48.4 -65.7 -34.8 23.7 29.6 13.0 8 12 A W H <> S+ 0 0 60 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.896 113.5 48.4 -71.5 -37.9 25.2 27.2 15.6 9 13 A L H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.863 113.9 47.3 -67.4 -35.4 28.2 29.4 15.8 10 14 A A H X S+ 0 0 28 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.916 113.5 46.1 -71.1 -45.4 26.0 32.5 16.1 11 15 A L H X S+ 0 0 75 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.844 114.8 48.4 -65.9 -36.9 23.7 31.0 18.8 12 16 A G H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.892 108.4 53.3 -71.1 -41.3 26.8 29.7 20.7 13 17 A T H X S+ 0 0 13 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.940 111.9 47.1 -56.8 -47.5 28.5 33.1 20.5 14 18 A A H X S+ 0 0 50 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.925 112.2 47.9 -60.2 -50.5 25.3 34.6 22.0 15 19 A L H X S+ 0 0 63 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.931 114.1 45.6 -60.1 -48.1 24.9 32.1 24.8 16 20 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.948 114.1 50.7 -60.2 -47.2 28.6 32.3 25.9 17 21 A G H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.940 114.8 41.1 -55.1 -51.1 28.4 36.1 25.7 18 22 A L H X S+ 0 0 112 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.894 110.9 60.7 -64.3 -36.3 25.2 36.1 27.8 19 23 A G H X S+ 0 0 5 -4,-3.3 4,-1.6 -5,-0.3 -2,-0.2 0.885 106.9 44.0 -56.9 -41.5 26.9 33.5 30.0 20 24 A T H X S+ 0 0 19 -4,-2.5 4,-2.6 26,-0.2 -1,-0.2 0.944 110.6 55.4 -68.3 -47.6 29.7 35.8 30.8 21 25 A L H X S+ 0 0 101 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.894 108.3 47.5 -50.5 -49.3 27.3 38.8 31.4 22 26 A Y H X S+ 0 0 90 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.945 112.3 47.6 -61.7 -50.1 25.3 36.9 34.0 23 27 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.880 110.6 53.4 -60.5 -39.0 28.3 35.6 36.0 24 28 A L H < S+ 0 0 99 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.963 114.8 40.1 -59.3 -51.6 29.9 39.1 36.0 25 29 A V H >< S+ 0 0 98 -4,-2.3 3,-1.2 1,-0.2 4,-0.4 0.905 114.6 52.6 -65.0 -42.9 26.7 40.6 37.4 26 30 A K H 3< S+ 0 0 74 -4,-3.4 3,-0.3 1,-0.3 -1,-0.2 0.867 111.3 46.4 -63.3 -35.5 26.1 37.7 39.8 27 31 A G T >< S+ 0 0 20 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.3 0.419 85.6 100.0 -87.8 2.0 29.6 37.9 41.2 28 32 A M T < S+ 0 0 151 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.934 87.9 33.9 -50.6 -58.9 29.4 41.7 41.6 29 33 A G T 3 S+ 0 0 77 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.3 -0.011 85.1 127.5 -94.8 33.3 28.6 41.8 45.3 30 34 A V < + 0 0 34 -3,-1.3 -3,-0.0 1,-0.2 -4,-0.0 -0.777 22.4 167.0 -93.0 127.3 30.6 38.8 46.5 31 35 A S + 0 0 111 -2,-0.5 -1,-0.2 4,-0.0 5,-0.0 0.681 41.3 110.5-106.7 -28.4 32.9 39.5 49.4 32 36 A D > - 0 0 38 1,-0.2 4,-2.3 2,-0.1 -2,-0.0 -0.278 64.0-143.9 -51.8 120.9 33.7 35.9 50.4 33 37 A P H > S+ 0 0 83 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.809 98.0 50.1 -59.7 -30.7 37.4 35.3 49.4 34 38 A D H >> S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 3,-0.8 0.972 111.0 45.8 -69.9 -58.8 36.7 31.7 48.4 35 39 A A H 3> S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.861 104.9 65.8 -52.5 -39.7 33.7 32.4 46.2 36 40 A K H 3X S+ 0 0 127 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.878 102.8 44.6 -50.9 -47.3 35.7 35.3 44.6 37 41 A K H S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -26,-0.2 0.821 112.7 61.2 -66.6 -27.2 32.5 31.5 29.0 47 51 A A H X S+ 0 0 30 -4,-1.4 4,-1.8 2,-0.2 3,-0.2 0.966 108.9 41.1 -60.7 -51.9 34.3 34.8 28.2 48 52 A I H X S+ 0 0 36 -4,-1.7 4,-2.4 1,-0.2 5,-0.3 0.944 112.8 54.7 -60.4 -48.1 37.1 33.0 26.4 49 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.818 104.9 57.1 -54.6 -32.2 34.5 30.7 24.8 50 54 A F H X S+ 0 0 74 -4,-1.9 4,-2.8 -3,-0.2 -1,-0.2 0.972 108.3 43.3 -64.0 -54.4 32.8 33.9 23.6 51 55 A T H X S+ 0 0 71 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.845 115.2 49.2 -61.7 -37.0 35.8 35.2 21.7 52 56 A M H X S+ 0 0 35 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.905 112.9 46.7 -71.3 -39.6 36.6 31.8 20.2 53 57 A Y H >X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.3 3,-0.7 0.934 109.6 53.1 -66.3 -45.5 33.0 31.3 19.0 54 58 A L H 3X S+ 0 0 59 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.859 107.3 54.0 -56.1 -35.6 32.8 34.8 17.6 55 59 A S H 3X S+ 0 0 14 -4,-1.4 6,-2.5 2,-0.2 4,-0.6 0.798 108.4 48.1 -69.9 -29.6 36.0 34.0 15.7 56 60 A M H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.900 113.2 48.6 -75.7 -40.9 34.5 30.9 14.2 57 61 A L H < S+ 0 0 58 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.925 113.7 44.9 -63.0 -48.2 31.3 32.8 13.2 58 62 A L H < S- 0 0 132 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.632 120.4-109.0 -72.2 -15.4 33.3 35.7 11.6 59 63 A G S >< S+ 0 0 39 -4,-0.6 3,-1.4 -3,-0.2 -3,-0.2 0.095 91.5 105.7 112.1 -23.3 35.5 33.1 9.8 60 64 A Y T 3 S+ 0 0 179 -5,-0.4 -4,-0.2 1,-0.3 -5,-0.1 0.872 78.1 54.7 -59.6 -41.1 38.9 33.5 11.6 61 65 A G T 3 S+ 0 0 0 -6,-2.5 16,-1.4 -9,-0.2 2,-0.4 0.339 93.8 87.9 -78.4 9.4 38.6 30.2 13.6 62 66 A L < + 0 0 33 -3,-1.4 2,-0.3 -7,-0.3 13,-0.2 -0.885 50.8 166.4-109.5 139.9 38.0 28.2 10.4 63 67 A T E -A 74 0A 54 11,-1.6 11,-2.9 -2,-0.4 2,-0.4 -0.876 32.1-113.1-140.7 171.6 40.9 26.8 8.4 64 68 A M E -A 73 0A 86 -2,-0.3 7,-0.0 9,-0.2 -2,-0.0 -0.934 26.5-175.9-115.7 135.9 41.1 24.2 5.6 65 69 A V E -A 72 0A 8 7,-3.1 7,-2.8 -2,-0.4 2,-0.4 -0.981 15.7-143.8-133.5 124.1 42.8 20.8 5.9 66 70 A P E +A 71 0A 54 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.686 39.2 132.9 -88.0 136.7 43.3 18.3 3.2 67 71 A F + 0 0 9 3,-1.6 3,-0.3 -2,-0.4 59,-0.1 -0.918 59.8 28.9-173.4 153.2 43.1 14.6 4.0 68 72 A G S S- 0 0 67 57,-0.4 3,-0.1 -2,-0.3 58,-0.1 0.014 134.4 -61.5 77.8 -31.2 41.4 11.5 2.7 69 73 A G S S+ 0 0 70 1,-0.4 2,-0.3 -2,-0.1 -1,-0.2 0.659 114.8 74.2 119.7 50.2 41.8 13.4 -0.6 70 74 A E S S- 0 0 124 -3,-0.3 -3,-1.6 -5,-0.1 2,-0.7 -0.967 83.9 -86.1-171.4 171.4 39.8 16.6 -0.2 71 75 A Q E -A 66 0A 129 -2,-0.3 -7,-0.0 -5,-0.2 -3,-0.0 -0.855 43.4-165.4 -97.4 116.0 39.7 20.0 1.5 72 76 A N E -A 65 0A 8 -7,-2.8 -7,-3.1 -2,-0.7 2,-0.5 -0.894 18.1-130.6-110.4 124.1 38.3 19.8 5.0 73 77 A P E -A 64 0A 14 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.562 27.9-171.7 -72.8 120.1 37.1 22.8 7.0 74 78 A I E -A 63 0A 0 -11,-2.9 2,-1.7 -2,-0.5 -11,-1.6 -0.958 20.0-146.6-118.9 118.3 38.6 22.6 10.5 75 79 A Y > + 0 0 4 -2,-0.5 3,-1.8 -13,-0.2 4,-0.5 -0.602 23.0 173.9 -83.1 83.4 37.5 24.9 13.3 76 80 A W T >> + 0 0 74 -2,-1.7 4,-2.0 -15,-0.4 3,-1.1 0.783 69.6 74.7 -61.3 -27.6 40.9 25.3 15.1 77 81 A A H 3> S+ 0 0 0 -16,-1.4 4,-2.4 1,-0.3 -1,-0.3 0.743 85.1 67.0 -58.4 -22.1 39.4 27.9 17.4 78 82 A R H <> S+ 0 0 2 -3,-1.8 4,-2.6 -17,-0.3 -1,-0.3 0.917 104.9 41.5 -63.1 -43.6 37.6 25.1 19.1 79 83 A Y H <> S+ 0 0 6 -3,-1.1 4,-3.4 -4,-0.5 -2,-0.2 0.914 111.8 54.0 -70.8 -42.2 40.9 23.7 20.3 80 84 A A H X S+ 0 0 21 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.894 111.6 48.1 -58.4 -38.7 42.2 27.2 21.2 81 85 A D H >X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 3,-1.0 0.978 114.8 43.5 -64.6 -56.2 39.0 27.6 23.3 82 86 A W H 3X S+ 0 0 21 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.853 101.6 69.0 -58.7 -38.1 39.4 24.3 25.0 83 87 A L H 3< S+ 0 0 67 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 115.7 25.0 -51.5 -36.9 43.1 24.7 25.6 84 88 A F H S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.921 110.1 48.2 -64.6 -40.3 42.3 23.8 32.8 88 92 A L H X S+ 0 0 29 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.953 109.5 50.3 -63.9 -51.8 40.1 26.4 34.4 89 93 A L H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.948 113.6 48.2 -50.6 -47.3 37.1 24.0 34.7 90 94 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.902 106.9 55.5 -59.2 -43.4 39.6 21.6 36.3 91 95 A L H X S+ 0 0 56 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.889 105.6 53.4 -58.6 -38.9 40.9 24.3 38.6 92 96 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.972 109.1 46.5 -59.0 -57.3 37.3 24.8 39.8 93 97 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.861 114.0 51.2 -52.4 -39.5 36.8 21.2 40.7 94 98 A A H X>S+ 0 0 2 -4,-2.3 5,-2.0 2,-0.2 4,-1.1 0.934 109.6 46.0 -68.3 -47.5 40.2 21.2 42.4 95 99 A L H ><5S+ 0 0 56 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.948 111.8 54.2 -58.3 -48.4 39.6 24.3 44.6 96 100 A L H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 118.6 32.9 -52.1 -42.5 36.2 23.0 45.6 97 101 A V H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.438 109.6-120.8 -97.9 -2.8 37.7 19.7 46.8 98 102 A D T <<5 - 0 0 111 -4,-1.1 -3,-0.2 -3,-0.7 -4,-0.1 0.958 41.1-167.5 61.4 55.3 41.0 21.2 48.0 99 103 A A < - 0 0 21 -5,-2.0 -1,-0.1 1,-0.1 2,-0.1 -0.239 21.5-102.1 -72.9 160.2 43.3 19.1 45.8 100 104 A D > - 0 0 97 1,-0.1 4,-1.7 4,-0.0 -1,-0.1 -0.366 26.4-118.3 -77.0 161.3 47.1 18.9 46.2 101 105 A Q H > S+ 0 0 171 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.897 112.3 56.4 -68.5 -40.9 49.4 20.9 43.9 102 106 A G H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 109.5 45.7 -56.5 -47.3 51.0 17.8 42.5 103 107 A T H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.870 111.8 51.6 -66.8 -34.7 47.7 16.4 41.4 104 108 A I H X S+ 0 0 40 -4,-1.7 4,-3.5 2,-0.2 5,-0.3 0.968 111.1 46.4 -65.3 -51.9 46.6 19.8 39.9 105 109 A L H X S+ 0 0 127 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.903 114.3 50.4 -56.0 -40.1 49.8 20.1 37.8 106 110 A A H X S+ 0 0 39 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.956 113.1 44.0 -62.5 -51.0 49.3 16.5 36.8 107 111 A L H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.917 118.6 43.9 -59.5 -46.0 45.7 17.1 35.7 108 112 A V H X S+ 0 0 50 -4,-3.5 4,-2.5 2,-0.2 5,-0.2 0.912 113.5 50.3 -66.3 -44.2 46.6 20.3 34.0 109 113 A G H X S+ 0 0 35 -4,-3.3 4,-1.4 -5,-0.3 -2,-0.2 0.900 113.6 46.5 -60.1 -40.3 49.7 18.8 32.4 110 114 A A H X S+ 0 0 16 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.875 110.4 54.5 -67.0 -39.3 47.5 15.9 31.2 111 115 A D H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.909 105.2 50.1 -62.7 -47.4 44.8 18.4 30.0 112 116 A G H X S+ 0 0 28 -4,-2.5 4,-3.9 1,-0.2 5,-0.3 0.911 111.2 51.3 -59.2 -40.3 47.1 20.4 27.7 113 117 A I H X S+ 0 0 97 -4,-1.4 4,-2.3 -5,-0.2 5,-0.3 0.890 107.4 53.0 -62.9 -40.2 48.3 17.1 26.3 114 118 A M H X S+ 0 0 17 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.936 119.3 33.7 -61.2 -47.6 44.7 16.1 25.6 115 119 A I H X S+ 0 0 12 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.950 118.6 50.7 -75.3 -49.2 43.9 19.3 23.7 116 120 A G H X S+ 0 0 33 -4,-3.9 4,-2.6 -5,-0.3 -3,-0.2 0.917 115.5 43.9 -52.8 -46.3 47.3 19.8 22.1 117 121 A T H X S+ 0 0 17 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.3 0.818 112.8 53.2 -67.2 -34.8 47.2 16.2 20.9 118 122 A G H X S+ 0 0 10 -4,-1.3 4,-1.6 -5,-0.3 -2,-0.2 0.947 110.4 46.1 -67.0 -48.7 43.6 16.7 19.8 119 123 A L H >X S+ 0 0 53 -4,-3.5 4,-1.6 2,-0.2 3,-0.6 0.946 109.7 54.7 -58.3 -50.2 44.5 19.8 17.8 120 124 A V H >X S+ 0 0 63 -4,-2.6 4,-1.1 1,-0.3 3,-1.0 0.941 108.4 49.2 -48.5 -52.6 47.5 18.1 16.2 121 125 A G H 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.814 107.3 55.4 -58.7 -30.4 45.2 15.3 15.1 122 126 A A H << S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.769 114.0 39.9 -74.5 -23.6 42.8 17.8 13.6 123 127 A L H << S+ 0 0 70 -4,-1.6 2,-0.4 -3,-1.0 -2,-0.2 0.493 85.4 118.1-102.7 -4.1 45.5 19.4 11.5 124 128 A T < - 0 0 25 -4,-1.1 6,-0.2 -5,-0.2 -59,-0.0 -0.493 52.2-155.1 -67.4 120.8 47.3 16.1 10.5 125 129 A K S S+ 0 0 144 -2,-0.4 2,-1.1 1,-0.1 -57,-0.4 0.689 74.3 84.2 -71.8 -20.5 47.2 15.7 6.7 126 130 A V S >> S- 0 0 69 1,-0.2 4,-1.5 -59,-0.1 3,-0.5 -0.733 71.2-153.2 -87.1 100.4 47.5 11.9 6.7 127 131 A Y T 34 S+ 0 0 90 -2,-1.1 4,-0.4 1,-0.2 3,-0.2 0.836 91.6 55.8 -37.9 -47.2 43.9 10.7 7.2 128 132 A S T >4 S+ 0 0 82 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.941 104.8 49.7 -53.8 -56.4 45.2 7.5 8.9 129 133 A Y T X> S+ 0 0 131 -3,-0.5 3,-2.6 1,-0.3 4,-1.4 0.806 89.7 79.9 -54.6 -37.2 47.3 9.2 11.6 130 134 A R H 3X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.3 -1,-0.3 0.762 93.1 53.6 -43.4 -29.5 44.5 11.5 12.7 131 135 A F H <> S+ 0 0 55 -3,-1.6 4,-1.7 -4,-0.4 -1,-0.3 0.703 99.6 58.6 -83.3 -21.1 43.2 8.5 14.6 132 136 A V H <> S+ 0 0 74 -3,-2.6 4,-2.7 -4,-0.3 3,-0.4 0.985 109.5 44.7 -67.8 -56.4 46.4 7.9 16.5 133 137 A W H X S+ 0 0 85 -4,-1.4 4,-3.5 1,-0.3 5,-0.2 0.877 109.9 54.9 -52.4 -44.9 46.3 11.4 17.9 134 138 A W H X S+ 0 0 68 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.3 0.910 110.8 48.3 -55.3 -42.5 42.6 10.9 18.7 135 139 A A H X S+ 0 0 45 -4,-1.7 4,-2.2 -3,-0.4 -2,-0.2 0.962 112.2 45.0 -63.2 -55.5 43.6 7.8 20.6 136 140 A I H X S+ 0 0 74 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.928 115.1 50.6 -55.7 -44.3 46.4 9.4 22.5 137 141 A S H X S+ 0 0 18 -4,-3.5 4,-1.9 1,-0.2 -1,-0.2 0.922 109.6 48.8 -58.6 -48.6 44.2 12.4 23.3 138 142 A T H X S+ 0 0 23 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.829 107.2 56.6 -62.9 -33.5 41.3 10.2 24.5 139 143 A A H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.961 106.2 49.9 -62.7 -49.5 43.7 8.3 26.8 140 144 A A H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 109.0 52.9 -54.7 -41.9 44.7 11.5 28.5 141 145 A M H X S+ 0 0 9 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.926 107.0 51.2 -61.3 -44.7 41.1 12.4 29.0 142 146 A L H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.895 107.4 53.9 -59.4 -41.1 40.4 9.0 30.6 143 147 A Y H X S+ 0 0 121 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.934 112.1 45.2 -58.0 -46.5 43.4 9.7 33.0 144 148 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.929 113.5 47.0 -63.3 -49.0 41.8 13.0 33.9 145 149 A L H X S+ 0 0 14 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.797 110.2 56.4 -65.1 -27.5 38.3 11.6 34.4 146 150 A Y H X>S+ 0 0 151 -4,-2.2 4,-2.6 -5,-0.3 5,-0.8 0.977 110.7 41.6 -65.2 -56.6 39.8 8.8 36.4 147 151 A V H <>S+ 0 0 20 -4,-2.3 5,-2.3 1,-0.2 -2,-0.2 0.829 116.5 50.3 -60.4 -35.0 41.5 11.2 38.9 148 152 A L H <>S+ 0 0 1 -4,-2.3 5,-0.8 3,-0.2 -1,-0.2 0.917 115.0 42.1 -71.3 -43.1 38.4 13.4 39.0 149 153 A F H <5S+ 0 0 70 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.950 134.3 13.7 -70.6 -52.4 36.0 10.6 39.7 150 154 A F T X5S+ 0 0 111 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.918 129.9 47.4 -90.4 -53.6 37.9 8.5 42.2 151 155 A G H >< S+ 0 0 72 -4,-1.3 3,-0.8 -5,-0.2 -1,-0.2 0.802 106.4 54.3 -70.4 -30.4 39.0 14.2 48.5 156 160 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 -3,-0.3 8,-0.2 0.657 88.2 77.4 -78.7 -19.0 35.5 15.7 48.8 157 161 A E T 3< S+ 0 0 110 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.634 92.8 54.0 -67.2 -12.5 34.3 13.3 51.4 158 162 A S T < S+ 0 0 99 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.484 94.7 87.1 -98.3 -5.5 36.3 15.3 54.0 159 163 A M S < S- 0 0 58 -3,-1.5 -62,-0.1 1,-0.2 5,-0.0 -0.446 96.7 -79.1 -87.8 167.0 34.6 18.6 53.0 160 164 A R >> - 0 0 91 -2,-0.1 4,-1.9 1,-0.1 3,-1.1 -0.311 51.6-100.7 -62.7 149.8 31.4 19.8 54.5 161 165 A P H 3> S+ 0 0 107 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.766 120.7 59.9 -42.3 -38.6 28.2 18.1 53.1 162 166 A E H 3> S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 62,-0.2 0.945 111.4 40.6 -58.1 -48.0 27.4 21.1 50.8 163 167 A V H <> S+ 0 0 5 -3,-1.1 4,-3.1 2,-0.2 5,-0.3 0.944 112.5 52.3 -65.4 -52.4 30.8 20.7 49.0 164 168 A A H X S+ 0 0 11 -4,-1.9 4,-2.0 -8,-0.2 -1,-0.2 0.890 116.7 41.4 -52.7 -43.0 30.8 16.9 48.9 165 169 A S H X S+ 0 0 64 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.906 114.1 48.9 -75.1 -44.2 27.4 17.0 47.2 166 170 A T H X S+ 0 0 19 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.972 113.1 49.4 -59.6 -51.7 27.9 19.9 44.9 167 171 A F H X S+ 0 0 0 -4,-3.1 4,-3.9 1,-0.2 -2,-0.2 0.940 105.8 57.0 -49.0 -55.8 31.2 18.4 43.7 168 172 A K H X S+ 0 0 51 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.880 108.3 47.5 -41.2 -51.2 29.4 15.0 43.2 169 173 A V H X S+ 0 0 64 -4,-2.0 4,-2.7 -3,-0.3 -1,-0.2 0.965 114.8 44.6 -56.2 -56.7 27.0 16.8 40.8 170 174 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.867 110.9 57.6 -55.7 -38.8 29.8 18.5 38.9 171 175 A R H X S+ 0 0 33 -4,-3.9 4,-2.3 -5,-0.3 -1,-0.2 0.937 110.9 39.6 -58.0 -52.1 31.7 15.2 38.9 172 176 A N H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.887 115.2 54.4 -66.5 -40.3 28.9 13.3 37.1 173 177 A V H X S+ 0 0 37 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.911 112.1 42.0 -62.4 -43.7 28.3 16.3 34.9 174 178 A T H X S+ 0 0 2 -4,-3.1 4,-2.8 2,-0.2 5,-0.4 0.914 111.9 54.1 -73.0 -38.4 31.9 16.6 33.7 175 179 A V H X S+ 0 0 39 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.904 114.6 41.5 -60.0 -41.4 32.4 12.8 33.3 176 180 A V H X S+ 0 0 101 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.929 119.8 43.4 -71.7 -46.1 29.4 12.6 31.1 177 181 A L H >X S+ 0 0 24 -4,-2.3 3,-1.8 -5,-0.2 4,-0.7 0.974 110.6 51.6 -64.1 -58.1 30.1 15.8 29.1 178 182 A W H >< S+ 0 0 15 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.856 106.4 54.6 -48.9 -44.0 33.8 15.4 28.6 179 183 A S H 3X S+ 0 0 42 -4,-1.1 4,-0.6 -5,-0.4 -1,-0.3 0.649 95.9 67.2 -69.7 -13.4 33.6 11.9 27.1 180 184 A A H S+ 0 0 20 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.765 116.6 48.6 -58.5 -22.4 36.0 12.2 21.7 183 187 A V H X S+ 0 0 81 -4,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.912 112.1 46.0 -81.6 -46.7 32.8 10.5 20.4 184 188 A V H X S+ 0 0 14 -4,-3.1 4,-1.6 1,-0.2 7,-0.2 0.919 114.1 50.4 -60.0 -43.6 31.5 13.6 18.5 185 189 A W H < S+ 0 0 17 -4,-3.4 6,-0.4 -5,-0.2 -1,-0.2 0.913 108.5 53.0 -59.7 -44.7 35.0 14.1 17.1 186 190 A L H < S+ 0 0 55 -4,-1.2 6,-2.1 -5,-0.3 -1,-0.2 0.834 115.8 37.1 -61.6 -37.6 35.2 10.5 15.9 187 191 A I H < S+ 0 0 50 -4,-1.8 7,-2.3 4,-0.2 8,-1.4 0.615 105.1 85.0 -93.4 -12.0 31.9 10.6 14.0 188 192 A G S >< S- 0 0 0 -4,-1.6 3,-2.5 -5,-0.2 9,-0.1 -0.256 100.4 -85.8 -84.9 175.3 32.2 14.1 12.7 189 193 A S T 3 S+ 0 0 25 6,-0.3 4,-0.2 1,-0.3 -1,-0.1 0.651 123.7 65.2 -54.0 -18.2 34.0 15.5 9.6 190 194 A E T 3 S+ 0 0 0 -5,-0.2 -1,-0.3 2,-0.1 -4,-0.1 0.702 120.9 8.3 -78.9 -19.0 37.2 15.7 11.5 191 195 A G S < S- 0 0 2 -3,-2.5 2,-1.0 -6,-0.4 -5,-0.2 0.057 130.2 -2.3-125.3-125.6 37.3 11.9 11.9 192 196 A A S S- 0 0 29 -6,-2.1 2,-0.7 1,-0.1 3,-0.2 -0.665 77.0-126.1 -77.0 103.7 35.2 9.1 10.4 193 197 A G + 0 0 66 -2,-1.0 -5,-0.2 -4,-0.2 -4,-0.1 -0.338 67.0 126.4 -56.5 102.1 32.6 11.1 8.3 194 198 A I S S+ 0 0 125 -7,-2.3 -1,-0.2 -2,-0.7 -6,-0.2 0.388 71.7 39.1-132.5 -13.6 29.3 9.7 9.7 195 199 A V S S- 0 0 28 -8,-1.4 -1,-0.4 -3,-0.2 -6,-0.3 -0.995 91.2-108.4-140.7 136.8 27.7 13.0 10.6 196 200 A P >> - 0 0 81 0, 0.0 4,-2.7 0, 0.0 3,-0.9 -0.245 29.0-110.2 -67.1 156.9 28.0 16.2 8.5 197 201 A L H 3> S+ 0 0 15 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.880 118.5 62.3 -50.6 -41.8 30.0 19.2 9.7 198 202 A N H 3> S+ 0 0 52 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.873 110.0 37.9 -53.4 -43.0 26.7 21.0 10.3 199 203 A I H <> S+ 0 0 61 -3,-0.9 4,-3.3 2,-0.2 5,-0.2 0.939 113.2 56.3 -75.0 -48.3 25.7 18.5 12.9 200 204 A E H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.3 5,-0.2 0.903 109.1 47.7 -47.1 -49.1 29.2 18.1 14.3 201 205 A T H X S+ 0 0 2 -4,-3.2 4,-1.7 1,-0.2 -1,-0.3 0.875 112.6 48.7 -61.7 -39.6 29.2 21.9 14.9 202 206 A L H X S+ 0 0 38 -4,-1.2 4,-2.2 -5,-0.3 -2,-0.2 0.906 110.9 50.5 -68.4 -41.8 25.8 21.8 16.5 203 207 A L H X S+ 0 0 56 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.942 112.6 44.6 -63.1 -48.3 26.8 18.9 18.8 204 208 A F H X S+ 0 0 1 -4,-2.6 4,-3.2 -5,-0.2 -1,-0.2 0.852 110.2 58.7 -64.3 -32.2 29.9 20.6 20.0 205 209 A M H X S+ 0 0 8 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.928 107.4 43.7 -61.8 -47.1 27.9 23.8 20.4 206 210 A V H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.914 115.9 50.2 -64.2 -42.3 25.5 22.1 22.9 207 211 A L H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 111.0 47.5 -62.4 -47.3 28.4 20.5 24.6 208 212 A D H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.4 0.922 112.7 48.1 -63.9 -43.7 30.4 23.7 25.0 209 213 A V H X>S+ 0 0 27 -4,-2.3 4,-2.7 -5,-0.2 5,-1.5 0.916 113.4 47.9 -64.6 -39.8 27.4 25.7 26.3 210 214 A S H <>S+ 0 0 43 -4,-2.3 5,-2.2 3,-0.2 -2,-0.2 0.936 115.7 44.7 -64.7 -44.4 26.6 22.9 28.8 211 215 A A H <5S+ 0 0 4 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.808 124.9 31.5 -69.9 -33.3 30.2 22.7 30.0 212 216 A K H <5S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.662 135.1 22.9-102.6 -19.9 30.8 26.5 30.2 213 217 A V T X5S+ 0 0 20 -4,-2.7 4,-3.0 -5,-0.4 -3,-0.2 0.803 125.5 45.0-109.9 -44.6 27.4 27.8 31.1 214 218 A G H > S+ 0 0 1 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.940 112.7 50.0 -59.6 -47.4 29.1 27.4 35.9 217 221 A L H X S+ 0 0 60 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.959 111.2 46.7 -54.4 -58.2 25.4 27.7 36.7 218 222 A I H < S+ 0 0 68 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.911 122.9 36.8 -52.1 -46.7 25.3 24.6 38.8 219 223 A L H >< S+ 0 0 0 -4,-2.7 3,-2.6 -5,-0.2 6,-0.4 0.978 114.9 49.7 -72.4 -59.1 28.4 25.6 40.7 220 224 A L H 3< S+ 0 0 2 -4,-3.8 -1,-0.2 1,-0.3 -3,-0.2 0.624 110.9 51.8 -59.7 -13.3 28.0 29.4 41.0 221 225 A R T 3< S+ 0 0 171 -4,-1.5 -1,-0.3 -5,-0.3 2,-0.2 0.253 94.8 92.4-106.1 12.7 24.5 29.0 42.3 222 226 A S S < S- 0 0 20 -3,-2.6 3,-0.5 1,-0.1 4,-0.0 -0.625 77.4-132.4-100.5 161.7 25.6 26.6 45.0 223 227 A R S > S+ 0 0 42 -2,-0.2 3,-2.8 1,-0.2 -60,-0.1 0.689 92.2 91.8 -83.2 -18.6 26.6 27.5 48.6 224 228 A A T 3 S+ 0 0 3 1,-0.3 -1,-0.2 -62,-0.2 -61,-0.1 0.777 73.9 63.1 -43.9 -39.3 29.6 25.2 48.0 225 229 A I T 3 S+ 0 0 0 -3,-0.5 2,-0.5 -6,-0.4 -1,-0.3 0.605 83.5 92.7 -68.2 -11.6 31.7 28.1 46.8 226 230 A F < 0 0 87 -3,-2.8 -3,-0.0 -192,-0.2 -194,-0.0 -0.728 360.0 360.0 -87.0 128.6 31.5 29.9 50.1 227 231 A G 0 0 68 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.1 -0.234 360.0 360.0 -61.5 360.0 34.4 29.0 52.5