==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 27-NOV-11 3UTX . COMPND 2 MOLECULE: BACTERIORHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SP.; . AUTHOR Z.CAO,J.U.BOWIE . 454 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 86.8 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 . 14 3.1 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 . 2 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 . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 2 2 3 1 0 2 0 2 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 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 ANTIPARALLEL 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 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 0 172 0, 0.0 58,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.5 -31.7 23.3 3.4 2 6 A G - 0 0 64 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.868 360.0-167.4 58.9 45.0 -34.1 21.1 1.4 3 7 A R > - 0 0 72 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.264 30.2-113.9 -64.7 144.4 -31.8 20.0 -1.4 4 8 A P T 3 S+ 0 0 95 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.689 113.4 53.1 -50.2 -26.6 -33.2 18.2 -4.6 5 9 A E T >> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.1 3,-1.1 0.578 79.6 95.1 -90.7 -8.2 -31.4 14.9 -3.8 6 10 A W H <> S+ 0 0 131 -3,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.787 78.4 58.7 -54.1 -33.2 -32.8 14.6 -0.2 7 11 A I H 3> S+ 0 0 76 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.3 0.864 105.5 48.5 -66.0 -36.5 -35.7 12.4 -1.3 8 12 A W H <> S+ 0 0 76 -3,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.824 114.4 47.2 -72.3 -31.5 -33.4 9.7 -2.8 9 13 A L H X S+ 0 0 1 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.808 109.9 51.0 -79.4 -30.9 -31.4 9.8 0.3 10 14 A A H X S+ 0 0 26 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.867 114.9 45.9 -70.4 -35.9 -34.5 9.6 2.4 11 15 A L H X S+ 0 0 62 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.941 113.5 46.9 -69.3 -48.5 -35.5 6.6 0.3 12 16 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.769 109.0 56.0 -65.7 -25.6 -32.1 4.9 0.4 13 17 A T H X S+ 0 0 10 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.895 109.7 46.6 -71.0 -39.9 -32.0 5.6 4.2 14 18 A A H X S+ 0 0 49 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.818 112.5 47.9 -71.2 -35.5 -35.2 3.7 4.6 15 19 A L H X S+ 0 0 65 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.927 112.1 48.8 -73.9 -44.2 -34.3 0.7 2.4 16 20 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.918 113.8 48.4 -62.6 -40.8 -30.9 0.3 4.1 17 21 A G H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.941 113.3 45.5 -63.6 -48.2 -32.6 0.4 7.5 18 22 A L H X S+ 0 0 116 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.927 113.9 49.2 -60.6 -46.8 -35.3 -2.1 6.5 19 23 A G H X S+ 0 0 7 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.899 109.4 53.3 -60.4 -41.0 -32.8 -4.5 4.9 20 24 A T H X S+ 0 0 18 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.947 110.0 46.5 -59.0 -51.0 -30.6 -4.2 8.0 21 25 A L H X S+ 0 0 104 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.843 112.2 49.7 -60.5 -40.6 -33.4 -5.2 10.4 22 26 A Y H X S+ 0 0 121 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.941 113.0 44.9 -65.6 -50.2 -34.6 -8.1 8.3 23 27 A F H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.860 114.5 52.7 -60.1 -37.0 -31.1 -9.7 7.9 24 28 A L H X S+ 0 0 77 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.939 111.3 43.5 -64.0 -50.8 -30.7 -9.0 11.7 25 29 A V H < S+ 0 0 107 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.893 116.3 48.4 -62.9 -44.5 -33.9 -10.8 12.6 26 30 A K H >X S+ 0 0 61 -4,-2.8 4,-0.9 1,-0.2 3,-0.9 0.918 113.6 45.7 -63.5 -44.9 -33.2 -13.7 10.2 27 31 A G H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.703 102.8 63.3 -73.2 -20.5 -29.6 -14.2 11.4 28 32 A M T 3< S+ 0 0 130 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.564 105.5 50.1 -77.1 -12.4 -30.5 -14.0 15.2 29 33 A G T <4 S+ 0 0 64 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.741 89.2 95.5 -95.5 -29.7 -32.5 -17.2 14.5 30 34 A V < - 0 0 26 -4,-0.9 -3,-0.0 1,-0.1 9,-0.0 -0.401 48.0-172.4 -68.6 136.9 -29.8 -19.2 12.7 31 35 A S + 0 0 115 -2,-0.1 -1,-0.1 4,-0.0 -4,-0.0 0.689 52.4 105.3-100.5 -27.1 -27.8 -21.7 14.8 32 36 A D >> - 0 0 38 1,-0.1 4,-2.3 2,-0.1 3,-0.6 -0.409 68.8-136.9 -60.7 124.1 -25.2 -22.7 12.2 33 37 A P H 3> S+ 0 0 100 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.883 98.8 35.8 -51.1 -54.7 -21.8 -21.1 13.1 34 38 A D H 3> S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.621 112.3 59.6 -83.4 -4.8 -20.6 -20.0 9.6 35 39 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.867 108.0 48.4 -77.8 -39.4 -24.2 -19.2 8.5 36 40 A K H X S+ 0 0 83 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.923 107.2 56.2 -58.9 -48.0 -24.0 -16.8 11.5 37 41 A K H X S+ 0 0 111 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.943 110.7 42.4 -50.3 -56.3 -20.6 -15.6 10.0 38 42 A F H X S+ 0 0 7 -4,-2.0 4,-2.5 187,-0.3 -1,-0.2 0.849 115.0 51.8 -61.7 -37.0 -22.2 -14.7 6.7 39 43 A Y H X S+ 0 0 13 -4,-2.4 4,-1.4 2,-0.2 5,-0.2 0.930 107.1 51.1 -67.0 -45.6 -25.2 -13.2 8.4 40 44 A A H X S+ 0 0 65 -4,-3.6 4,-1.6 1,-0.2 3,-0.3 0.929 114.9 43.6 -57.6 -46.3 -23.1 -11.0 10.7 41 45 A I H X S+ 0 0 22 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.933 113.7 49.0 -65.3 -47.4 -21.1 -9.7 7.7 42 46 A A H < S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.632 112.0 50.0 -68.9 -16.6 -24.2 -9.2 5.4 43 47 A T H X S+ 0 0 20 -4,-1.4 4,-1.3 -3,-0.3 -1,-0.2 0.824 105.7 54.3 -89.8 -37.7 -26.1 -7.3 8.1 44 48 A L H X S+ 0 0 83 -4,-1.6 4,-2.5 -5,-0.2 5,-0.2 0.866 98.7 66.4 -62.7 -38.8 -23.3 -4.9 9.0 45 49 A V H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 3,-0.2 0.946 108.9 33.4 -50.1 -61.1 -23.0 -3.8 5.3 46 50 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.785 112.7 64.9 -70.2 -22.6 -26.4 -2.1 5.0 47 51 A A H X S+ 0 0 27 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.928 106.2 41.9 -62.2 -46.4 -26.1 -1.0 8.7 48 52 A I H X S+ 0 0 30 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.924 113.6 52.5 -65.0 -47.3 -23.1 1.2 7.9 49 53 A A H X S+ 0 0 0 -4,-1.8 4,-3.3 -5,-0.2 5,-0.3 0.902 107.5 54.0 -55.9 -44.2 -24.8 2.5 4.6 50 54 A F H X S+ 0 0 77 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.927 107.2 49.1 -56.3 -50.6 -27.9 3.4 6.6 51 55 A T H X S+ 0 0 60 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.882 115.9 44.3 -59.5 -38.9 -25.9 5.5 9.1 52 56 A M H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.889 113.0 48.5 -74.5 -39.8 -24.2 7.3 6.3 53 57 A Y H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.916 114.3 49.3 -64.4 -39.3 -27.3 7.8 4.2 54 58 A L H X S+ 0 0 56 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.837 109.3 50.1 -67.1 -37.4 -28.9 9.1 7.3 55 59 A S H <>S+ 0 0 36 -4,-1.7 5,-2.7 2,-0.2 -2,-0.2 0.926 114.5 44.9 -68.0 -43.6 -26.0 11.4 8.1 56 60 A M H ><5S+ 0 0 4 -4,-2.5 3,-2.0 3,-0.2 -2,-0.2 0.889 109.1 54.7 -66.4 -42.2 -26.1 12.8 4.6 57 61 A L H 3<5S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.951 109.6 51.1 -54.8 -43.7 -29.9 13.1 4.7 58 62 A L T 3<5S- 0 0 116 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.327 129.4 -94.4 -77.1 5.8 -29.2 15.1 7.9 59 63 A G T < 5S+ 0 0 59 -3,-2.0 3,-0.3 1,-0.3 -3,-0.2 0.568 86.4 115.2 96.2 6.7 -26.7 17.5 6.3 60 64 A Y < + 0 0 165 -5,-2.7 -1,-0.3 1,-0.2 17,-0.2 -0.507 56.1 42.1-102.5 174.6 -23.4 15.8 7.1 61 65 A G S S+ 0 0 8 1,-0.2 16,-1.8 -2,-0.2 15,-1.3 0.626 86.4 120.5 66.3 12.6 -20.8 14.3 4.8 62 66 A L E +A 75 0A 45 -3,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.931 34.1 171.4-115.0 134.1 -21.1 17.2 2.3 63 67 A T E -A 74 0A 52 11,-1.9 11,-3.7 -2,-0.4 2,-0.6 -0.995 30.8-127.9-142.0 143.1 -18.4 19.5 1.2 64 68 A M E -A 73 0A 79 -2,-0.3 8,-0.1 9,-0.2 7,-0.0 -0.826 27.3-166.9 -90.8 117.6 -18.0 22.2 -1.5 65 69 A V E -A 72 0A 6 7,-3.9 7,-2.6 -2,-0.6 2,-0.6 -0.910 16.4-130.5-109.1 133.6 -14.9 21.6 -3.6 66 70 A P E +A 71 0A 47 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.745 51.3 117.6 -87.8 117.2 -13.6 24.4 -5.9 67 71 A F E > +A 70 0A 9 3,-1.7 3,-2.2 -2,-0.6 5,-0.1 -0.949 61.4 31.0-166.6 157.3 -12.8 23.4 -9.5 68 72 A G T 3 S- 0 0 52 1,-0.3 3,-0.1 -2,-0.3 58,-0.1 0.705 127.9 -67.4 61.5 18.5 -14.0 24.3 -13.1 69 73 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 2,-0.2 0.506 115.0 100.5 80.8 4.8 -14.8 27.8 -11.7 70 74 A E E < S-A 67 0A 120 -3,-2.2 -3,-1.7 -5,-0.1 2,-1.0 -0.757 78.7-119.1-120.4 166.1 -17.6 26.4 -9.5 71 75 A Q E -A 66 0A 121 -2,-0.2 -3,-0.1 -5,-0.2 -7,-0.0 -0.842 44.7-157.6-102.6 90.2 -18.2 25.5 -5.8 72 76 A N E -A 65 0A 28 -7,-2.6 -7,-3.9 -2,-1.0 2,-0.6 -0.587 13.1-127.8 -83.0 131.4 -19.0 21.9 -6.4 73 77 A P E -A 64 0A 29 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.626 28.6-174.9 -76.5 113.9 -21.0 19.8 -3.9 74 78 A I E -A 63 0A 0 -11,-3.7 -11,-1.9 -2,-0.6 2,-1.4 -0.947 19.0-147.8-119.3 114.6 -19.1 16.6 -3.0 75 79 A Y E > +A 62 0A 10 -2,-0.5 3,-0.8 -13,-0.2 -13,-0.3 -0.635 24.7 169.7 -80.4 91.8 -20.7 14.0 -0.8 76 80 A W T >> + 0 0 119 -2,-1.4 4,-1.0 -15,-1.3 3,-1.0 0.662 63.4 80.6 -79.6 -15.7 -17.7 12.5 1.0 77 81 A A H 3> S+ 0 0 3 -16,-1.8 4,-1.7 1,-0.2 3,-0.4 0.830 82.2 71.9 -58.2 -26.7 -19.8 10.6 3.5 78 82 A R H <> S+ 0 0 4 -3,-0.8 4,-2.8 -17,-0.3 -1,-0.2 0.883 96.2 45.8 -53.3 -46.4 -20.1 8.1 0.6 79 83 A Y H <> S+ 0 0 11 -3,-1.0 4,-2.4 -4,-0.2 -1,-0.3 0.754 106.1 59.3 -71.2 -26.8 -16.5 7.0 0.9 80 84 A A H X S+ 0 0 29 -4,-1.0 4,-0.6 -3,-0.4 -1,-0.2 0.864 112.5 42.8 -67.6 -34.9 -16.8 6.7 4.6 81 85 A D H >X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 3,-1.7 0.992 118.0 41.2 -70.3 -70.3 -19.5 4.2 3.8 82 86 A W H 3X S+ 0 0 19 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.766 99.3 75.4 -51.8 -32.9 -17.8 2.3 0.9 83 87 A L H 3< S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.878 115.5 19.4 -49.7 -39.9 -14.5 2.3 2.8 84 88 A F H S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.886 110.8 54.9 -67.1 -33.0 -14.3 -4.8 1.6 88 92 A L H X S+ 0 0 34 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.907 106.7 50.9 -63.2 -41.5 -17.0 -6.6 3.6 89 93 A L H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.890 110.1 50.0 -62.2 -40.1 -18.8 -7.5 0.4 90 94 A L H X S+ 0 0 3 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.868 106.2 56.6 -66.2 -35.8 -15.5 -8.9 -1.0 91 95 A L H X S+ 0 0 49 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.917 103.8 54.1 -63.2 -40.9 -15.0 -10.9 2.2 92 96 A D H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.928 108.6 46.1 -62.0 -44.2 -18.3 -12.6 1.7 93 97 A L H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.876 113.5 52.7 -64.4 -33.8 -17.4 -13.7 -1.8 94 98 A A H <>S+ 0 0 3 -4,-2.1 5,-2.4 1,-0.2 4,-0.4 0.905 108.7 47.8 -67.0 -42.8 -14.1 -14.8 -0.4 95 99 A L H <5S+ 0 0 46 -4,-3.1 3,-0.3 3,-0.2 -1,-0.2 0.787 107.2 59.0 -68.8 -28.3 -15.6 -16.9 2.4 96 100 A L H <5S+ 0 0 6 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.928 115.7 30.8 -66.1 -47.5 -18.0 -18.5 -0.1 97 101 A V T <5S- 0 0 0 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.249 110.5-113.2 -97.1 10.6 -15.3 -19.9 -2.4 98 102 A D T 5 - 0 0 97 -4,-0.4 -3,-0.2 -3,-0.3 -4,-0.1 0.828 46.2-170.0 61.7 33.0 -12.7 -20.5 0.4 99 103 A A < - 0 0 15 -5,-2.4 2,-0.1 -6,-0.2 -1,-0.1 -0.066 24.6-101.2 -50.8 155.8 -10.4 -17.9 -1.0 100 104 A D > - 0 0 93 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.424 22.4-113.2 -83.5 157.9 -6.9 -17.8 0.5 101 105 A Q H > S+ 0 0 176 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 118.3 52.1 -52.6 -52.5 -5.7 -15.3 3.1 102 106 A G H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 109.4 49.7 -53.6 -41.3 -3.2 -13.8 0.6 103 107 A T H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 111.1 49.4 -63.0 -49.5 -6.0 -13.4 -1.9 104 108 A I H X S+ 0 0 39 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.911 110.4 49.3 -57.3 -44.8 -8.2 -11.7 0.6 105 109 A L H X S+ 0 0 118 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.899 110.3 50.5 -65.1 -39.4 -5.6 -9.3 1.8 106 110 A A H X S+ 0 0 40 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.833 112.0 48.0 -65.3 -34.9 -4.8 -8.4 -1.7 107 111 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.903 113.6 45.9 -72.3 -41.6 -8.4 -7.7 -2.5 108 112 A V H X S+ 0 0 60 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.865 114.2 49.8 -68.8 -37.2 -9.0 -5.6 0.6 109 113 A G H X S+ 0 0 38 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.941 111.5 46.8 -66.5 -47.2 -5.8 -3.7 -0.0 110 114 A A H X S+ 0 0 12 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.860 112.2 53.2 -60.5 -35.9 -6.7 -3.0 -3.7 111 115 A D H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.837 104.8 53.6 -67.0 -37.5 -10.1 -2.0 -2.4 112 116 A G H X S+ 0 0 32 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 110.1 47.7 -63.2 -46.7 -8.5 0.4 0.1 113 117 A I H X S+ 0 0 94 -4,-2.3 4,-3.1 1,-0.2 5,-0.5 0.943 108.5 55.3 -58.4 -48.9 -6.6 2.0 -2.8 114 118 A M H X S+ 0 0 20 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.873 115.7 35.8 -51.5 -47.4 -9.8 2.3 -4.9 115 119 A I H X S+ 0 0 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1,-0.3 -1,-0.2 0.799 115.4 51.8 -59.2 -27.7 -31.2 14.6 -42.6 252 28 B L H X S+ 0 0 63 -4,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.799 108.2 44.7 -77.9 -48.0 -31.1 14.1 -46.3 253 29 B V H < S+ 0 0 110 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.952 119.7 44.7 -65.0 -45.5 -34.3 15.8 -47.3 254 30 B K H >< S+ 0 0 57 -4,-2.9 3,-0.6 -5,-0.2 -2,-0.2 0.878 113.3 51.3 -61.5 -40.9 -33.4 18.7 -44.9 255 31 B G H >< S+ 0 0 7 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.858 105.8 49.9 -69.4 -39.2 -29.7 18.9 -46.1 256 32 B M T 3< S+ 0 0 151 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.451 107.1 57.1 -80.1 -3.4 -30.2 19.1 -49.9 257 33 B G T < S+ 0 0 68 -3,-0.6 2,-0.4 -4,-0.5 -1,-0.3 -0.271 91.8 86.2-118.4 36.1 -32.7 21.9 -49.6 258 34 B V < - 0 0 27 -3,-0.8 -3,-0.0 2,-0.1 -4,-0.0 -0.966 53.0-175.0-132.1 140.9 -30.3 24.1 -47.7 259 35 B S + 0 0 110 -2,-0.4 -1,-0.1 5,-0.0 5,-0.0 0.615 47.7 105.4-121.4 -11.1 -28.0 26.2 -49.5 260 36 B D - 0 0 48 1,-0.1 4,-0.2 2,-0.0 -2,-0.1 -0.245 66.3-140.4 -54.9 162.6 -25.6 27.9 -47.1 261 37 B P S > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.792 92.4 54.6-103.7 -23.2 -22.4 26.0 -47.6 262 38 B D H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 192,-0.1 0.893 111.6 48.3 -70.0 -38.0 -20.9 25.6 -44.1 263 39 B A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.806 102.9 67.2 -67.9 -30.9 -24.3 24.0 -43.1 264 40 B K H > S+ 0 0 91 -4,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.928 102.2 42.4 -56.1 -50.2 -23.8 21.9 -46.2 265 41 B K H X S+ 0 0 84 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.915 111.3 54.6 -68.9 -39.1 -20.8 20.0 -44.9 266 42 B F H X S+ 0 0 2 -4,-1.5 4,-1.8 187,-0.3 -1,-0.2 0.843 112.3 46.8 -61.2 -33.1 -22.3 19.6 -41.4 267 43 B Y H X S+ 0 0 8 -4,-1.9 4,-1.5 2,-0.2 5,-0.3 0.955 107.3 52.4 -72.1 -53.4 -25.3 18.0 -43.1 268 44 B A H X S+ 0 0 64 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.875 113.8 46.8 -50.5 -39.0 -23.5 15.7 -45.4 269 45 B I H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.945 110.2 50.7 -68.4 -48.8 -21.6 14.4 -42.4 270 46 B A H < S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.596 114.3 46.5 -64.9 -14.4 -24.6 14.0 -40.2 271 47 B T H X S+ 0 0 20 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-4,-2.5 4,-1.9 -5,-0.3 -40,-0.2 0.869 111.2 50.1 -69.8 -33.7 -27.6 -2.9 -39.2 282 58 B L H X S+ 0 0 55 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.904 111.0 49.3 -68.2 -42.1 -29.2 -4.2 -42.3 283 59 B S H <>S+ 0 0 39 -4,-1.8 5,-3.2 2,-0.2 -2,-0.2 0.918 112.2 46.0 -62.6 -50.2 -26.3 -6.6 -42.9 284 60 B M H ><5S+ 0 0 2 -4,-2.6 3,-1.4 3,-0.2 -1,-0.2 0.872 112.6 52.5 -61.9 -38.3 -26.3 -8.0 -39.3 285 61 B L H 3<5S+ 0 0 59 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.920 107.7 51.0 -63.0 -43.9 -30.1 -8.3 -39.5 286 62 B L T 3<5S- 0 0 122 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.307 131.9 -94.4 -77.7 10.9 -29.7 -10.3 -42.7 287 63 B G T < 5S+ 0 0 52 -3,-1.4 3,-0.3 1,-0.3 -3,-0.2 0.625 86.3 118.2 90.8 11.3 -27.2 -12.5 -40.9 288 64 B Y < + 0 0 164 -5,-3.2 -1,-0.3 1,-0.2 17,-0.2 -0.540 54.8 42.8-103.6 174.2 -23.8 -11.0 -41.8 289 65 B G S S+ 0 0 7 -2,-0.2 16,-1.8 1,-0.2 15,-1.0 0.669 88.1 113.6 66.7 16.5 -21.2 -9.4 -39.6 290 66 B L E +B 303 0B 40 -3,-0.3 13,-0.2 13,-0.3 2,-0.2 -0.972 36.2 164.5-126.5 120.8 -21.5 -12.3 -37.1 291 67 B T E -B 302 0B 55 11,-3.0 11,-2.8 -2,-0.5 2,-0.5 -0.663 36.3-112.1-121.9 178.7 -18.9 -14.8 -36.4 292 68 B M E -B 301 0B 85 -2,-0.2 8,-0.1 9,-0.2 -2,-0.0 -0.960 28.0-169.6-117.1 112.6 -18.2 -17.4 -33.6 293 69 B V E -B 300 0B 7 7,-3.0 7,-2.4 -2,-0.5 2,-0.4 -0.888 16.5-136.0-105.7 130.4 -15.2 -16.8 -31.4 294 70 B P E +B 299 0B 50 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.728 47.9 115.5 -89.5 130.3 -14.1 -19.5 -29.0 295 71 B F E > +B 298 0B 10 3,-1.7 3,-1.7 -2,-0.4 5,-0.1 -0.875 60.1 37.6 179.5 154.0 -13.2 -18.7 -25.4 296 72 B G T 3 S- 0 0 52 57,-0.3 3,-0.1 1,-0.3 58,-0.1 0.644 128.6 -68.3 67.6 13.1 -14.4 -19.4 -21.9 297 73 B G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.490 114.7 100.3 83.4 5.8 -15.2 -22.9 -23.2 298 74 B E E < S-B 295 0B 121 -3,-1.7 -3,-1.7 -5,-0.1 2,-0.9 -0.723 78.8-118.5-120.5 169.4 -17.9 -21.6 -25.4 299 75 B Q E -B 294 0B 123 -2,-0.2 -3,-0.1 -5,-0.2 0, 0.0 -0.833 45.0-153.1-106.1 87.5 -18.6 -20.7 -29.1 300 76 B N E -B 293 0B 30 -7,-2.4 -7,-3.0 -2,-0.9 2,-0.6 -0.504 11.6-126.8 -80.0 129.7 -19.4 -17.1 -28.6 301 77 B P E -B 292 0B 31 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.570 33.3-177.3 -70.7 108.9 -21.6 -15.1 -31.0 302 78 B I E -B 291 0B 0 -11,-2.8 -11,-3.0 -2,-0.6 2,-1.2 -0.957 21.0-152.5-120.5 122.3 -19.7 -11.9 -32.0 303 79 B Y E > +B 290 0B 8 -2,-0.5 3,-1.2 -13,-0.2 -13,-0.3 -0.713 21.0 169.9 -91.9 89.6 -21.1 -9.2 -34.3 304 80 B W T >> + 0 0 116 -2,-1.2 4,-1.2 -15,-1.0 3,-1.0 0.643 63.9 82.3 -77.4 -11.6 -18.1 -7.7 -35.9 305 81 B A H 3> S+ 0 0 2 -16,-1.8 4,-1.6 1,-0.3 -1,-0.3 0.756 80.8 70.8 -62.8 -20.2 -20.1 -5.7 -38.3 306 82 B R H <> S+ 0 0 4 -3,-1.2 4,-2.9 -17,-0.3 -1,-0.3 0.899 97.2 45.9 -62.2 -42.6 -20.4 -3.3 -35.4 307 83 B Y H <> S+ 0 0 7 -3,-1.0 4,-2.5 -4,-0.3 -1,-0.2 0.802 107.2 57.5 -71.4 -29.9 -16.8 -2.2 -35.7 308 84 B A H X S+ 0 0 31 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.884 112.1 44.4 -66.0 -35.8 -17.0 -1.9 -39.4 309 85 B D H >X S+ 0 0 1 -4,-1.6 3,-1.6 1,-0.2 4,-1.5 0.994 116.3 44.2 -67.8 -64.5 -19.8 0.6 -38.6 310 86 B W H 3X S+ 0 0 21 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.698 97.7 72.4 -56.5 -26.6 -17.9 2.4 -35.9 311 87 B L H 3< S+ 0 0 69 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.881 115.4 23.4 -60.0 -33.8 -14.6 2.7 -37.7 312 88 B F H S+ 0 0 20 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.867 113.8 53.1 -72.1 -29.4 -14.2 9.7 -36.4 316 92 B L H X S+ 0 0 35 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.902 105.9 51.8 -67.3 -40.7 -16.9 11.4 -38.5 317 93 B L H X S+ 0 0 9 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.862 111.8 48.1 -63.7 -33.1 -18.9 12.3 -35.4 318 94 B L H X S+ 0 0 3 -4,-1.4 4,-2.9 2,-0.2 -1,-0.2 0.822 105.3 59.1 -74.4 -31.5 -15.6 13.8 -34.0 319 95 B L H X S+ 0 0 52 -4,-1.8 4,-2.8 1,-0.3 -2,-0.2 0.922 104.7 51.0 -63.5 -41.1 -15.2 15.6 -37.3 320 96 B D H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.789 111.4 44.8 -65.8 -36.8 -18.4 17.3 -36.7 321 97 B L H X S+ 0 0 1 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.838 113.1 52.5 -73.4 -39.0 -17.6 18.4 -33.2 322 98 B A H X>S+ 0 0 2 -4,-2.9 5,-2.8 1,-0.2 4,-0.5 0.914 108.6 49.5 -63.1 -42.9 -14.1 19.5 -34.4 323 99 B L H <5S+ 0 0 46 -4,-2.8 3,-0.3 3,-0.2 -1,-0.2 0.807 105.5 60.2 -65.9 -30.2 -15.6 21.6 -37.2 324 100 B L H <5S+ 0 0 8 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.932 114.3 31.7 -63.2 -49.1 -18.0 23.2 -34.7 325 101 B V H <5S- 0 0 0 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.329 112.2-113.1 -92.4 5.6 -15.3 24.7 -32.4 326 102 B D T <5 - 0 0 103 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.913 47.0-168.7 62.3 43.9 -12.8 25.3 -35.3 327 103 B A < - 0 0 13 -5,-2.8 2,-0.1 -6,-0.2 -1,-0.1 -0.192 22.9-101.4 -60.4 156.6 -10.4 22.6 -33.9 328 104 B D > - 0 0 94 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.446 22.6-114.1 -83.6 156.7 -6.9 22.5 -35.4 329 105 B Q H > S+ 0 0 179 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.850 117.6 53.1 -56.7 -38.1 -5.7 19.9 -38.0 330 106 B G H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 110.0 48.4 -64.4 -40.5 -3.3 18.4 -35.5 331 107 B T H > S+ 0 0 44 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.952 111.7 48.4 -62.7 -53.2 -6.1 18.0 -33.0 332 108 B I H X S+ 0 0 39 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.892 112.5 48.3 -57.3 -40.9 -8.4 16.4 -35.4 333 109 B L H X S+ 0 0 124 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.924 110.6 49.7 -74.0 -35.6 -5.8 14.0 -36.7 334 110 B A H X S+ 0 0 39 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.881 113.7 48.7 -63.8 -38.0 -4.7 13.0 -33.2 335 111 B L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.951 112.7 44.8 -66.3 -49.7 -8.5 12.4 -32.4 336 112 B V H X S+ 0 0 59 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.857 114.9 51.0 -61.1 -37.9 -9.2 10.3 -35.5 337 113 B G H X S+ 0 0 39 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.935 110.3 46.8 -66.0 -47.3 -6.0 8.4 -34.8 338 114 B A H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.889 112.6 53.0 -59.2 -39.5 -6.9 7.7 -31.2 339 115 B D H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.835 104.8 53.1 -64.1 -40.4 -10.3 6.7 -32.6 340 116 B G H X S+ 0 0 29 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.942 110.6 48.2 -61.7 -47.1 -8.8 4.3 -35.0 341 117 B I H X S+ 0 0 94 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.956 109.4 52.4 -56.8 -53.7 -6.9 2.6 -32.2 342 118 B M H X S+ 0 0 22 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.903 116.7 38.8 -47.6 -51.3 -10.0 2.4 -29.9 343 119 B I H X S+ 0 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196 B A T 5S- 0 0 12 -6,-3.6 -5,-0.2 1,-0.1 -3,-0.2 0.621 75.3-134.2 -58.0 -19.4 -18.2 -11.4 -18.9 421 197 B G < + 0 0 51 -5,-3.0 -5,-0.2 -7,-0.2 -4,-0.2 0.890 68.2 126.0 63.1 35.3 -21.1 -12.9 -20.8 422 198 B I + 0 0 37 -7,-1.7 -6,-0.2 -6,-0.3 -7,-0.1 0.908 61.0 54.9 -88.2 -51.4 -23.4 -11.7 -18.0 423 199 B V S S- 0 0 24 -8,-3.1 -1,-0.1 -11,-0.2 -2,-0.1 -0.701 95.1-119.5 -84.3 127.5 -25.9 -9.7 -20.1 424 200 B P > - 0 0 61 0, 0.0 4,-2.8 0, 0.0 3,-0.4 -0.280 22.3-109.2 -66.3 154.9 -27.4 -11.9 -22.9 425 201 B L H > S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.866 115.5 54.9 -52.3 -44.0 -26.9 -11.0 -26.6 426 202 B N H > S+ 0 0 54 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.910 114.1 40.3 -59.5 -43.2 -30.6 -10.0 -27.2 427 203 B I H > S+ 0 0 68 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.912 115.2 53.3 -69.8 -43.0 -30.5 -7.4 -24.3 428 204 B E H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.898 106.8 50.9 -57.6 -43.7 -26.9 -6.4 -25.3 429 205 B T H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.887 109.0 53.0 -60.5 -40.9 -28.1 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