==== 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 SIGNALING PROTEIN 29-JUN-00 1F88 . COMPND 2 MOLECULE: RHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.OKADA,K.PALCZEWSKI,R.E.STENKAMP,M.MIYANO . 643 6 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 74.8 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 . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.3 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 . 1 0.2 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 . 23 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.0 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 2 0 0 0 1 2 2 5 2 1 0 0 1 0 0 3 0 0 1 0 0 0 0 0 0 0 5 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 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 1 A M 0 0 192 0, 0.0 15,-0.2 0, 0.0 14,-0.2 0.000 360.0 360.0 360.0 133.1 44.7 -5.1 -26.9 2 2 A N + 0 0 72 275,-0.5 2,-0.3 1,-0.1 278,-0.2 0.446 360.0 39.0 -87.6 -5.3 44.4 -4.8 -23.1 3 3 A G S S- 0 0 5 274,-0.1 2,-0.7 276,-0.1 11,-0.2 -0.996 78.1-122.8-150.7 143.9 45.1 -1.1 -23.3 4 4 A T E -A 11 0A 28 9,-1.4 7,-2.4 7,-1.1 2,-0.5 -0.762 30.5-159.8 -85.4 112.2 44.2 1.9 -25.5 5 5 A E E -A 10 0A 112 -2,-0.7 5,-0.2 5,-0.2 -2,-0.0 -0.878 11.4-176.3 -96.6 123.0 47.4 3.5 -26.7 6 6 A G - 0 0 10 3,-1.9 0, 0.0 -2,-0.5 0, 0.0 -0.562 43.9-101.2-108.2 177.2 47.2 7.1 -27.9 7 7 A P S S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.633 126.0 25.2 -73.6 -8.4 49.8 9.3 -29.4 8 8 A N S S+ 0 0 72 169,-0.0 2,-0.2 1,-0.0 -3,-0.0 0.524 127.2 19.7-125.1 -20.7 50.1 10.9 -26.0 9 9 A F - 0 0 18 170,-0.1 -3,-1.9 2,-0.0 2,-0.3 -0.699 49.9-136.3-141.5-170.9 49.0 8.2 -23.6 10 10 A Y E -A 5 0A 10 170,-0.3 -5,-0.2 -5,-0.2 182,-0.1 -0.800 19.4-159.7-159.2 101.3 48.2 4.7 -22.6 11 11 A V E -A 4 0A 0 -7,-2.4 -7,-1.1 -2,-0.3 2,-0.3 -0.828 21.7-134.2 -86.4 127.7 45.0 4.1 -20.7 12 12 A P S S+ 0 0 6 0, 0.0 2,-0.3 0, 0.0 268,-0.1 0.068 78.9 95.8 -71.2 28.3 45.3 0.8 -18.8 13 13 A F S S- 0 0 61 -2,-0.3 -9,-1.4 -9,-0.2 2,-0.4 -0.850 78.8-112.5-120.8 154.2 41.7 0.0 -20.1 14 14 A S - 0 0 45 -2,-0.3 5,-0.2 -11,-0.2 3,-0.2 -0.703 13.1-160.6 -90.9 133.0 40.4 -1.8 -23.2 15 15 A N > + 0 0 68 -2,-0.4 3,-2.2 1,-0.2 -1,-0.1 0.165 61.6 113.4 -96.4 20.0 38.6 0.1 -25.9 16 16 A K T 3 S+ 0 0 204 1,-0.3 -1,-0.2 -15,-0.2 -2,-0.0 0.296 87.2 46.9 -72.3 14.0 36.9 -2.9 -27.3 17 17 A T T 3 S- 0 0 111 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.302 107.0-129.0-129.7 -7.3 33.9 -0.9 -26.0 18 18 A G S < S+ 0 0 36 -3,-2.2 -3,-0.1 1,-0.1 -2,-0.1 0.450 78.9 118.4 67.1 -0.2 34.9 2.4 -27.5 19 19 A V + 0 0 59 -5,-0.2 11,-0.2 11,-0.1 -4,-0.1 0.667 43.8 99.1 -71.3 -19.7 34.4 3.7 -23.9 20 20 A V - 0 0 6 -6,-0.1 2,-0.3 10,-0.1 8,-0.0 -0.369 53.0-176.7 -69.4 147.6 38.0 4.8 -23.6 21 21 A R - 0 0 135 5,-0.1 5,-0.2 -17,-0.1 9,-0.1 -0.980 36.5 -83.7-150.0 138.9 38.7 8.5 -24.1 22 22 A S >> - 0 0 12 -2,-0.3 3,-2.2 1,-0.2 4,-1.7 -0.061 32.4-132.1 -43.0 128.3 41.9 10.6 -24.2 23 23 A P T 34 S+ 0 0 0 0, 0.0 80,-2.6 0, 0.0 -1,-0.2 0.305 108.8 55.5 -67.3 9.5 42.9 11.7 -20.6 24 24 A F T 34 S+ 0 0 29 78,-0.2 -2,-0.1 3,-0.1 82,-0.1 0.292 113.5 35.7-121.9 3.2 43.3 15.2 -22.1 25 25 A E T <4 S+ 0 0 134 -3,-2.2 -3,-0.1 1,-0.3 77,-0.1 0.531 118.8 17.6-130.7 -19.3 39.7 15.5 -23.5 26 26 A A S < S- 0 0 25 -4,-1.7 -1,-0.3 -5,-0.2 77,-0.2 -0.995 80.5 -86.4-158.8 151.8 37.3 13.7 -21.1 27 27 A P - 0 0 51 0, 0.0 3,-0.4 0, 0.0 75,-0.2 -0.233 30.6-135.5 -59.2 144.3 37.0 12.3 -17.5 28 28 A Q > + 0 0 0 73,-3.0 3,-2.6 155,-0.2 4,-0.4 -0.021 61.9 129.3 -92.0 31.3 38.2 8.8 -16.8 29 29 A Y G > + 0 0 94 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.676 64.5 67.5 -59.4 -20.0 35.1 7.8 -14.8 30 30 A Y G 3 S+ 0 0 47 -3,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.717 92.9 61.2 -73.6 -17.2 34.8 4.8 -17.0 31 31 A L G < S- 0 0 10 -3,-2.6 2,-0.2 1,-0.3 252,-0.2 0.644 128.2 -29.4 -79.7 -20.2 38.0 3.5 -15.4 32 32 A A S < S- 0 0 13 -3,-0.7 -1,-0.3 -4,-0.4 5,-0.1 -0.847 89.7 -51.8 173.3 159.5 36.5 3.5 -11.9 33 33 A E >> - 0 0 109 -2,-0.2 4,-0.9 -3,-0.1 3,-0.6 0.136 44.4-118.9 -46.6 152.4 33.7 5.3 -9.9 34 34 A P H 3> S+ 0 0 71 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.849 110.2 61.1 -62.3 -36.9 33.4 9.1 -9.5 35 35 A W H 3> S+ 0 0 154 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.762 97.7 58.0 -64.2 -26.8 33.9 9.0 -5.7 36 36 A Q H <> S+ 0 0 49 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.899 106.5 48.1 -69.5 -38.9 37.3 7.4 -6.0 37 37 A F H X S+ 0 0 2 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.832 108.8 56.7 -67.1 -31.0 38.4 10.5 -8.1 38 38 A S H X S+ 0 0 39 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.853 103.6 51.8 -68.7 -35.8 36.8 12.5 -5.3 39 39 A M H X S+ 0 0 87 -4,-1.6 4,-3.5 2,-0.2 -2,-0.2 0.857 108.7 50.5 -69.7 -34.0 39.1 10.8 -2.7 40 40 A L H X S+ 0 0 20 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.957 111.6 48.4 -66.1 -48.9 42.1 11.7 -4.8 41 41 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 115.7 44.1 -56.9 -44.2 40.9 15.3 -5.0 42 42 A A H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 3,-0.4 0.994 114.6 49.8 -62.6 -58.4 40.3 15.3 -1.2 43 43 A Y H X S+ 0 0 59 -4,-3.5 4,-1.6 1,-0.3 -2,-0.2 0.849 112.2 46.2 -45.0 -51.3 43.7 13.5 -0.6 44 44 A M H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.3 0.871 110.0 55.5 -63.6 -36.0 45.6 16.0 -2.7 45 45 A F H X S+ 0 0 39 -4,-1.9 4,-1.5 -3,-0.4 -2,-0.2 0.909 108.7 47.0 -62.7 -42.3 43.8 18.9 -1.0 46 46 A L H X S+ 0 0 40 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.778 111.7 51.1 -69.7 -31.4 44.9 17.6 2.4 47 47 A L H X S+ 0 0 11 -4,-1.6 4,-3.1 -5,-0.3 5,-0.3 0.831 110.1 48.7 -73.1 -37.0 48.5 17.2 1.1 48 48 A I H X S+ 0 0 33 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.815 110.5 52.6 -71.2 -28.5 48.5 20.7 -0.2 49 49 A M H < S+ 0 0 28 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.802 120.7 32.1 -76.4 -29.4 47.2 21.9 3.1 50 50 A L H X S+ 0 0 20 -4,-1.2 4,-1.6 2,-0.1 5,-0.5 0.901 115.6 53.5 -90.1 -54.1 50.0 20.1 5.0 51 51 A G H X S+ 0 0 0 -4,-3.1 4,-1.0 3,-0.2 -3,-0.2 0.764 106.8 56.6 -55.0 -29.2 52.9 20.4 2.6 52 52 A F H X S+ 0 0 83 -4,-0.9 4,-3.5 -5,-0.3 5,-0.2 0.999 115.0 28.5 -68.8 -70.6 52.5 24.1 2.3 53 53 A P H >>S+ 0 0 34 0, 0.0 4,-4.1 0, 0.0 5,-0.5 0.963 121.7 51.7 -54.3 -59.5 52.8 25.3 6.0 54 54 A I H X5S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.3 -3,-0.2 0.879 119.5 37.4 -44.9 -47.0 55.0 22.5 7.2 55 55 A N H X5S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.5 -1,-0.3 0.851 119.5 47.9 -76.2 -35.6 57.4 23.2 4.3 56 56 A F H X5S+ 0 0 92 -4,-3.5 4,-3.0 2,-0.2 -2,-0.2 0.801 113.0 46.5 -74.5 -33.2 56.9 27.0 4.4 57 57 A L H X5S+ 0 0 22 -4,-4.1 4,-2.5 -5,-0.2 5,-0.2 0.887 112.1 51.9 -71.8 -42.9 57.4 27.2 8.2 58 58 A T H X< S- 0 0 0 -4,-2.0 3,-2.0 1,-0.1 -1,-0.2 -0.746 71.9-163.0 -90.2 93.6 67.6 32.1 12.3 66 66 A K T 3 S+ 0 0 136 -2,-1.2 -1,-0.1 1,-0.3 264,-0.1 0.559 82.3 49.9 -52.0 -20.8 71.0 33.4 11.1 67 67 A K T 3 S+ 0 0 73 262,-1.3 2,-1.6 1,-0.1 -1,-0.3 0.310 78.3 100.3-104.4 6.9 73.2 30.6 12.7 68 68 A L < + 0 0 0 -3,-2.0 -1,-0.1 -6,-0.3 -3,-0.1 -0.537 49.9 120.4 -89.3 70.1 71.2 27.6 11.4 69 69 A R + 0 0 53 -2,-1.6 -1,-0.2 4,-0.0 84,-0.1 0.009 23.2 127.4-129.9 33.8 73.7 27.0 8.6 70 70 A T S > S- 0 0 61 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.461 75.9-100.2 -84.5 159.9 75.2 23.5 8.8 71 71 A P H > S+ 0 0 14 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.916 128.6 48.4 -45.3 -43.3 75.2 21.2 5.7 72 72 A L H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.940 110.7 48.3 -60.9 -50.5 72.2 19.5 7.3 73 73 A N H 4 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.826 118.2 45.0 -59.1 -30.8 70.4 22.8 8.1 74 74 A Y H >X S+ 0 0 43 -4,-2.8 3,-1.7 2,-0.2 4,-1.6 0.929 108.9 50.2 -76.0 -58.2 71.2 23.7 4.5 75 75 A I H 3X S+ 0 0 1 -4,-3.6 4,-0.8 1,-0.3 -2,-0.2 0.686 110.5 55.4 -57.6 -18.9 70.2 20.5 2.7 76 76 A L H 3X S+ 0 0 3 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.3 0.582 100.8 53.9 -93.8 -9.3 66.9 20.7 4.6 77 77 A L H <> S+ 0 0 39 -3,-1.7 4,-1.6 -4,-0.2 -2,-0.2 0.803 104.6 59.5 -85.1 -34.5 66.0 24.2 3.4 78 78 A N H X S+ 0 0 11 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.879 103.8 49.6 -57.3 -43.0 66.5 22.8 -0.1 79 79 A L H X S+ 0 0 3 -4,-0.8 4,-2.8 1,-0.2 -1,-0.2 0.871 104.3 57.5 -69.8 -35.5 63.8 20.2 0.6 80 80 A A H X S+ 0 0 1 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.884 111.6 43.3 -63.0 -36.9 61.3 22.8 1.9 81 81 A V H X S+ 0 0 49 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.951 113.6 48.9 -72.6 -50.1 61.5 24.7 -1.4 82 82 A A H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.877 114.6 48.1 -56.1 -39.0 61.4 21.5 -3.6 83 83 A D H X S+ 0 0 2 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.909 110.8 49.2 -69.2 -42.3 58.4 20.5 -1.6 84 84 A L H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.881 110.2 53.0 -63.5 -36.6 56.8 23.9 -1.9 85 85 A F H X>S+ 0 0 86 -4,-3.1 4,-2.8 2,-0.2 5,-0.8 0.856 110.4 46.8 -65.0 -37.0 57.5 23.6 -5.7 86 86 A M H X>S+ 0 0 0 -4,-1.6 5,-2.2 3,-0.2 4,-1.2 0.986 110.3 53.0 -65.5 -54.8 55.7 20.3 -5.6 87 87 A V H <5S+ 0 0 0 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.801 128.1 20.4 -48.6 -37.8 52.8 21.8 -3.6 88 88 A F H <5S+ 0 0 96 -4,-2.1 4,-0.4 3,-0.2 5,-0.2 0.852 127.9 45.2-101.6 -48.3 52.4 24.6 -6.2 89 89 A G H <5S+ 0 0 14 -4,-2.8 4,-0.3 -5,-0.3 -3,-0.2 0.968 134.4 5.9 -63.2 -55.9 54.1 23.3 -9.4 90 90 A G T >X S+ 0 0 65 -6,-0.5 4,-1.3 -4,-0.4 -1,-0.3 0.898 111.7 43.1 -69.8 -36.2 47.9 22.3 -7.8 93 93 A T H <> S+ 0 0 6 -3,-1.6 4,-1.2 -4,-0.3 -2,-0.2 0.627 110.9 55.0 -81.2 -22.2 47.6 20.6 -11.2 94 94 A T H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.799 109.5 46.2 -83.0 -31.6 47.0 17.1 -9.7 95 95 A L H X S+ 0 0 29 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.836 113.3 48.3 -77.5 -36.4 44.1 18.3 -7.6 96 96 A Y H X S+ 0 0 89 -4,-1.3 4,-1.7 2,-0.2 6,-0.2 0.928 112.9 50.5 -67.9 -41.6 42.5 20.2 -10.5 97 97 A T H X>S+ 0 0 1 -4,-1.2 5,-1.2 2,-0.2 4,-1.1 0.871 112.4 44.5 -61.5 -44.4 42.9 17.1 -12.6 98 98 A S H <5S+ 0 0 2 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.918 110.7 55.0 -67.0 -45.5 41.3 14.8 -10.0 99 99 A L H <5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 117.5 36.5 -55.7 -36.1 38.5 17.2 -9.4 100 100 A H H <5S- 0 0 76 -4,-1.7 -1,-0.2 2,-0.3 -2,-0.2 0.536 109.1-118.5 -96.6 -9.9 37.7 17.2 -13.1 101 101 A G T <5S+ 0 0 0 -4,-1.1 -73,-3.0 -3,-0.5 2,-0.3 0.474 83.9 27.0 86.7 3.6 38.5 13.5 -13.9 102 102 A Y S + 0 0 0 -80,-2.6 3,-1.5 -2,-0.3 7,-0.1 -0.609 48.1 174.9 -81.0 87.9 44.1 16.5 -17.4 104 104 A V T 3 S+ 0 0 45 -2,-1.5 -1,-0.2 1,-0.3 -80,-0.0 0.905 79.8 52.9 -60.4 -44.2 42.1 19.6 -18.4 105 105 A F T >> S- 0 0 109 1,-0.2 4,-1.0 -3,-0.2 3,-0.7 0.249 106.7-147.1 -76.7 13.3 45.2 21.8 -18.9 106 106 A G H <> - 0 0 9 -3,-1.5 4,-1.0 1,-0.2 3,-0.4 -0.060 53.5 -9.3 60.6-150.9 46.3 19.0 -21.2 107 107 A P H 3> S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.739 135.4 50.2 -52.2 -36.9 50.0 17.9 -21.8 108 108 A T H <> S+ 0 0 84 -3,-0.7 4,-3.6 2,-0.2 5,-0.3 0.869 108.2 54.5 -74.1 -33.0 51.6 20.8 -19.9 109 109 A G H X S+ 0 0 1 -4,-1.0 4,-0.8 -3,-0.4 -1,-0.2 0.746 111.8 45.4 -66.9 -23.9 49.2 20.0 -17.1 110 110 A a H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.2 -2,-0.2 0.787 113.1 50.4 -84.9 -34.7 50.7 16.5 -17.3 111 111 A N H X S+ 0 0 46 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.912 112.1 44.9 -70.8 -43.7 54.2 18.0 -17.6 112 112 A L H X S+ 0 0 77 -4,-3.6 4,-1.5 2,-0.2 -1,-0.2 0.855 116.4 47.6 -67.6 -37.1 53.9 20.3 -14.5 113 113 A E H < S+ 0 0 0 -4,-0.8 4,-0.2 -5,-0.3 -2,-0.2 0.885 121.4 35.3 -70.1 -43.9 52.3 17.4 -12.5 114 114 A G H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.1 3,-0.4 0.857 116.9 53.6 -80.0 -37.5 54.9 14.9 -13.5 115 115 A F H X S+ 0 0 26 -4,-3.1 4,-3.3 1,-0.2 3,-0.5 0.955 109.7 44.1 -62.7 -56.8 57.9 17.3 -13.6 116 116 A F H X S+ 0 0 35 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.525 112.5 53.8 -69.5 -7.0 57.6 18.7 -10.1 117 117 A A H > S+ 0 0 15 -3,-0.4 4,-0.9 -4,-0.2 -1,-0.2 0.722 115.1 40.2 -94.2 -28.3 56.9 15.2 -8.6 118 118 A T H X S+ 0 0 26 -4,-1.3 4,-2.9 -3,-0.5 5,-0.3 0.907 114.9 51.7 -81.0 -49.5 60.1 13.9 -10.2 119 119 A L H X S+ 0 0 4 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.932 114.0 44.5 -52.6 -49.7 62.1 17.0 -9.5 120 120 A G H X S+ 0 0 2 -4,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.821 113.2 50.3 -66.6 -33.0 61.0 16.9 -5.8 121 121 A G H X S+ 0 0 5 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.875 116.9 40.8 -71.4 -37.5 61.7 13.1 -5.6 122 122 A E H X S+ 0 0 23 -4,-2.9 4,-2.2 2,-0.2 5,-0.3 0.757 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51.6 -52.3 -31.5 66.3 19.3 19.1 309 312 A Q H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.979 112.5 41.7 -72.5 -53.6 68.0 22.5 17.8 310 313 A F H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.851 112.0 56.6 -61.9 -38.2 65.6 23.2 14.9 311 314 A R H >X S+ 0 0 19 -4,-2.5 4,-2.2 -8,-0.3 3,-1.2 0.981 107.5 44.3 -58.4 -60.7 62.5 22.3 16.8 312 315 A N H 3X S+ 0 0 40 -4,-1.4 4,-1.1 1,-0.3 -1,-0.2 0.832 111.0 61.7 -55.1 -27.0 63.0 24.7 19.7 313 316 A C H 3X S+ 0 0 6 -4,-1.4 4,-1.7 2,-0.2 -1,-0.3 0.824 105.5 41.1 -70.0 -35.9 63.8 27.1 16.8 314 317 A M H S+ 0 0 12 -4,-1.1 5,-2.1 -5,-0.3 -2,-0.2 0.860 113.4 46.6 -82.0 -41.1 60.9 30.2 19.1 317 320 A T H ><5S+ 0 0 20 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.967 114.0 47.1 -65.7 -49.9 59.7 31.6 15.8 318 321 A L H 3<5S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.715 109.3 55.6 -64.0 -24.8 56.1 30.7 16.5 319 322 A C T ><5S- 0 0 66 -4,-0.6 3,-1.4 3,-0.2 -1,-0.3 0.001 118.6-109.2 -98.8 27.1 56.3 32.2 20.0 320 323 A C T < 5S- 0 0 122 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.456 79.4 -42.4 60.6 10.4 57.5 35.6 18.6 321 324 A G T 3 - 0 0 31 -2,-0.3 3,-0.7 -12,-0.1 5,-0.3 -0.569 14.3-152.9 -75.2 130.3 55.0 -4.5 36.5 356 15 B N T 3 S+ 0 0 64 -12,-0.4 3,-0.3 -2,-0.3 -1,-0.1 -0.099 70.3 108.5 -93.0 34.2 57.5 -2.8 38.7 357 16 B K T 3 S+ 0 0 164 1,-0.2 -1,-0.2 -15,-0.2 -2,-0.0 0.690 78.3 52.8 -78.2 -23.6 58.9 -6.2 39.7 358 17 B T S < S- 0 0 85 -3,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.445 109.8-130.2 -89.0 -4.9 61.9 -5.2 37.6 359 18 B G S S+ 0 0 43 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.726 81.4 107.3 59.1 26.9 62.2 -2.0 39.7 360 19 B V + 0 0 57 -5,-0.3 2,-0.3 11,-0.1 11,-0.1 0.541 38.8 112.9-106.9 -17.5 62.4 0.0 36.5 361 20 B V - 0 0 8 -6,-0.1 2,-0.3 10,-0.1 8,-0.1 -0.473 44.4-178.6 -65.3 122.6 58.9 1.6 36.4 362 21 B R - 0 0 117 -2,-0.3 9,-0.1 6,-0.1 -2,-0.1 -0.863 35.2 -81.3-120.1 155.8 59.3 5.3 36.9 363 22 B S >> - 0 0 7 -2,-0.3 4,-2.2 1,-0.1 3,-1.2 -0.262 26.8-131.9 -59.8 140.7 56.5 8.0 37.1 364 23 B P T 34 S+ 0 0 0 0, 0.0 80,-3.4 0, 0.0 83,-0.2 0.420 110.0 53.2 -70.4 -0.0 54.9 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B P H 3> S+ 0 0 52 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.568 113.5 64.7 -67.9 -10.8 62.0 5.5 21.5 376 35 B W H 3> S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.853 97.0 53.4 -80.5 -35.1 60.9 5.2 17.9 377 36 B Q H <> S+ 0 0 42 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.739 108.6 51.6 -70.7 -23.5 57.3 4.7 18.7 378 37 B F H X S+ 0 0 0 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.856 111.9 43.1 -79.5 -42.3 57.3 7.8 20.9 379 38 B S H X S+ 0 0 41 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.787 111.3 57.7 -73.2 -25.1 58.7 10.0 18.1 380 39 B M H X S+ 0 0 110 -4,-1.7 4,-2.0 2,-0.2 3,-0.4 0.932 108.6 45.1 -67.7 -43.0 56.3 8.3 15.8 381 40 B L H X S+ 0 0 22 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.856 111.1 53.3 -64.7 -41.7 53.5 9.5 18.1 382 41 B A H X S+ 0 0 0 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.706 109.0 50.0 -67.2 -23.2 55.0 13.0 18.2 383 42 B A H X S+ 0 0 10 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.880 109.5 50.0 -79.4 -44.3 55.0 13.0 14.4 384 43 B Y H X S+ 0 0 66 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.939 112.0 48.7 -57.4 -48.5 51.4 12.0 14.2 385 44 B M H X S+ 0 0 0 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