==== 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 15-JUL-04 1U19 . COMPND 2 MOLECULE: RHODOPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.OKADA,M.SUGIHARA,A.N.BONDAR,M.ELSTNER,P.ENTEL,V.BUSS . 696 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 72.7 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 . 15 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 2 0.3 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 . 25 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 355 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.9 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 1 0 0 0 1 1 4 5 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 1 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 1 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 . 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 0 196 0, 0.0 14,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 141.1 52.2 -5.1 34.9 2 2 A N + 0 0 71 278,-0.7 2,-0.2 12,-0.1 12,-0.1 0.701 360.0 23.3 -71.4 -21.8 52.1 -5.0 31.1 3 3 A G S S- 0 0 8 277,-0.1 2,-0.7 9,-0.1 12,-0.3 -0.785 81.0-107.1-135.1-179.4 52.1 -1.2 31.1 4 4 A T E -A 11 0A 25 7,-3.2 7,-2.5 -2,-0.2 2,-0.2 -0.848 32.3-162.1-114.9 94.5 52.9 1.8 33.1 5 5 A E E -A 10 0A 118 -2,-0.7 5,-0.3 5,-0.3 -2,-0.0 -0.509 10.2-172.8 -72.8 142.4 49.8 3.5 34.5 6 6 A G - 0 0 10 3,-3.1 -1,-0.0 -2,-0.2 -2,-0.0 -0.733 40.5-105.0-124.6 175.6 50.3 7.0 35.7 7 7 A P S S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.737 125.1 21.0 -75.7 -12.0 47.9 9.3 37.5 8 8 A N S S+ 0 0 57 171,-0.0 2,-0.2 0, 0.0 -3,-0.0 0.400 132.0 19.9-130.2 -10.0 47.4 11.1 34.2 9 9 A F - 0 0 22 170,-0.1 -3,-3.1 2,-0.0 2,-0.2 -0.775 53.9-138.2-148.6-170.4 48.5 8.5 31.6 10 10 A Y E -A 5 0A 17 -5,-0.3 -5,-0.3 170,-0.2 169,-0.0 -0.631 17.7-154.6-164.5 94.7 49.2 4.9 30.8 11 11 A V E -A 4 0A 0 -7,-2.5 -7,-3.2 -2,-0.2 2,-2.4 -0.668 18.3-134.8 -80.3 128.3 52.3 4.1 28.8 12 12 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.313 80.0 89.2 -76.5 54.8 51.8 0.8 26.8 13 13 A F S S- 0 0 69 -2,-2.4 -2,-0.1 271,-0.1 -9,-0.1 -0.981 80.0-113.1-155.0 140.2 55.3 -0.2 28.0 14 14 A S - 0 0 54 -2,-0.3 3,-0.2 -11,-0.1 5,-0.2 -0.407 10.6-152.8 -75.5 151.0 56.7 -2.0 31.1 15 15 A N > + 0 0 72 -14,-0.3 3,-1.7 -12,-0.3 -1,-0.1 -0.089 59.6 120.0-113.2 30.9 58.8 -0.1 33.6 16 16 A K T 3 S+ 0 0 196 1,-0.3 -1,-0.1 -15,-0.1 -2,-0.0 0.769 85.5 41.2 -64.3 -27.9 60.7 -3.3 34.7 17 17 A T T 3 S- 0 0 109 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.190 112.0-126.7-102.3 11.9 63.8 -1.5 33.6 18 18 A G S < S+ 0 0 52 -3,-1.7 -3,-0.1 1,-0.1 -2,-0.1 0.735 75.1 124.5 48.3 29.8 62.6 1.7 35.0 19 19 A V + 0 0 59 -5,-0.2 -1,-0.1 11,-0.1 11,-0.1 0.563 38.5 107.8 -92.9 -9.9 63.1 3.4 31.7 20 20 A V - 0 0 15 -6,-0.1 2,-0.3 10,-0.1 8,-0.1 -0.440 47.4-174.9 -73.6 143.0 59.5 4.6 31.4 21 21 A R - 0 0 128 -2,-0.1 5,-0.2 5,-0.1 4,-0.1 -0.999 36.2 -88.0-142.5 137.7 58.8 8.4 31.8 22 22 A S >> - 0 0 14 -2,-0.3 3,-2.2 1,-0.2 4,-1.8 -0.100 31.6-137.2 -43.0 124.6 55.7 10.6 32.0 23 23 A P T 34 S+ 0 0 0 0, 0.0 80,-2.4 0, 0.0 -1,-0.2 0.278 105.4 60.0 -73.0 14.3 54.7 11.6 28.4 24 24 A F T 34 S+ 0 0 21 78,-0.2 -2,-0.1 81,-0.1 78,-0.1 0.083 115.2 31.4-119.9 14.3 54.1 15.1 29.9 25 25 A E T <4 S+ 0 0 123 -3,-2.2 -3,-0.1 1,-0.4 77,-0.1 0.518 117.9 20.8-145.4 -25.2 57.6 15.4 31.1 26 26 A A S < S- 0 0 11 -4,-1.8 -1,-0.4 -5,-0.2 77,-0.1 -0.992 80.8 -83.6-152.1 158.6 60.2 13.6 28.9 27 27 A P - 0 0 57 0, 0.0 75,-0.2 0, 0.0 3,-0.2 -0.220 29.9-143.5 -56.6 153.1 60.7 12.2 25.3 28 28 A Q >> + 0 0 0 73,-1.3 3,-2.9 155,-0.2 4,-0.5 -0.056 56.0 130.2-109.9 29.9 59.3 8.7 24.8 29 29 A Y T 34 + 0 0 83 1,-0.3 -1,-0.1 2,-0.2 72,-0.0 0.533 63.2 71.4 -64.4 -4.2 62.1 7.4 22.5 30 30 A Y T 34 S+ 0 0 46 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.537 95.1 54.6 -86.6 -4.4 62.4 4.4 24.6 31 31 A L T <4 S- 0 0 15 -3,-2.9 2,-0.3 1,-0.3 -2,-0.2 0.671 126.9 -9.5 -93.8 -27.0 59.1 3.3 23.1 32 32 A A S < S- 0 0 5 -4,-0.5 -1,-0.3 151,-0.1 5,-0.1 -0.966 88.5 -69.3-163.7 166.6 60.3 3.6 19.6 33 33 A E >> - 0 0 105 -2,-0.3 3,-0.9 1,-0.1 4,-0.9 -0.306 42.5-122.8 -64.5 146.1 63.1 4.9 17.4 34 34 A P H >> S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.837 109.8 61.8 -61.4 -31.8 63.5 8.6 17.2 35 35 A W H 3> S+ 0 0 154 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.816 97.2 59.7 -63.8 -29.7 63.2 8.6 13.4 36 36 A Q H <> S+ 0 0 50 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.830 103.0 50.2 -68.8 -32.3 59.7 7.2 13.8 37 37 A F H S+ 0 0 36 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.919 119.1 48.7 -53.7 -49.3 44.6 25.2 1.8 54 54 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.869 117.3 40.8 -60.0 -41.0 42.0 22.5 0.8 55 55 A N H X S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.856 116.9 47.3 -78.7 -35.7 39.7 23.3 3.7 56 56 A F H X S+ 0 0 93 -4,-2.9 4,-3.1 -5,-0.2 -2,-0.2 0.905 112.5 50.0 -70.1 -42.1 40.0 27.1 3.5 57 57 A L H X S+ 0 0 23 -4,-2.9 4,-3.0 -5,-0.3 5,-0.2 0.932 110.3 50.7 -58.9 -49.1 39.5 27.1 -0.3 58 58 A T H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.903 112.9 47.0 -53.1 -47.2 36.4 24.9 0.1 59 59 A L H X S+ 0 0 39 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.926 112.5 48.6 -62.2 -48.7 35.2 27.4 2.7 60 60 A Y H X S+ 0 0 118 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.914 111.6 49.0 -62.5 -45.1 36.0 30.4 0.5 61 61 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.958 108.5 53.3 -61.7 -48.5 34.3 29.0 -2.6 62 62 A T H < S+ 0 0 3 -4,-2.2 6,-0.3 -5,-0.2 -1,-0.2 0.901 114.3 41.8 -52.6 -46.7 31.1 28.1 -0.8 63 63 A V H < S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.959 111.4 53.1 -68.1 -52.2 30.7 31.5 0.7 64 64 A Q H < S+ 0 0 37 -4,-2.4 2,-1.3 -5,-0.2 -1,-0.2 0.800 96.9 71.5 -54.9 -35.8 31.6 33.5 -2.4 65 65 A H S >< S- 0 0 0 -4,-2.2 3,-2.6 -5,-0.2 274,-0.2 -0.704 71.6-161.0 -91.7 94.7 29.1 31.7 -4.6 66 66 A K T 3 S+ 0 0 109 272,-1.5 -1,-0.2 -2,-1.3 273,-0.1 0.525 84.9 55.1 -50.0 -12.2 25.8 33.0 -3.4 67 67 A K T 3 S+ 0 0 74 271,-0.3 2,-2.7 1,-0.1 -1,-0.3 0.613 74.9 95.8-102.6 -11.7 23.9 30.1 -4.9 68 68 A L < + 0 0 1 -3,-2.6 -1,-0.1 -6,-0.3 -3,-0.1 -0.459 51.5 122.9 -74.6 74.7 25.8 27.2 -3.3 69 69 A R + 0 0 56 -2,-2.7 -1,-0.2 4,-0.0 84,-0.1 0.033 27.2 126.3-128.2 29.7 23.1 27.1 -0.6 70 70 A T S > S- 0 0 61 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.296 78.0-101.0 -81.1 169.8 21.7 23.5 -0.6 71 71 A P H > S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.886 128.2 50.3 -58.4 -33.3 21.6 21.3 2.5 72 72 A L H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 104.5 54.4 -70.5 -40.2 24.7 19.7 1.1 73 73 A N H > S+ 0 0 3 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.817 112.8 46.9 -63.8 -29.3 26.6 23.0 0.4 74 74 A Y H >X S+ 0 0 40 -4,-1.8 4,-2.7 2,-0.2 3,-0.9 0.971 109.8 49.5 -74.3 -57.1 25.9 23.7 4.1 75 75 A I H 3X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.823 113.5 47.7 -52.5 -37.5 27.0 20.4 5.6 76 76 A L H 3X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -1,-0.3 0.764 109.3 51.8 -79.6 -22.4 30.2 20.5 3.6 77 77 A L H S+ 0 0 94 -4,-1.6 4,-2.1 2,-0.2 5,-0.6 0.856 108.7 51.5 -71.4 -36.0 39.7 23.5 13.7 86 86 A M H X>S+ 0 0 1 -4,-1.4 5,-2.6 3,-0.2 4,-1.9 0.976 112.7 44.5 -60.9 -55.3 41.3 20.1 13.5 87 87 A V H <>S+ 0 0 0 -4,-2.3 5,-0.5 1,-0.2 -2,-0.2 0.942 130.1 23.0 -55.4 -57.8 44.3 21.5 11.6 88 88 A F H <5S+ 0 0 105 -4,-2.4 -3,-0.2 3,-0.2 -1,-0.2 0.860 124.7 53.8 -82.2 -35.5 44.9 24.6 13.7 89 89 A G H <5S- 0 0 13 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.2 0.963 132.8 -7.3 -65.8 -56.0 43.2 23.3 16.9 90 90 A G T X S+ 0 0 7 -3,-0.5 4,-3.0 2,-0.2 -2,-0.2 0.886 112.1 54.3 -75.5 -38.1 49.9 20.4 19.0 94 94 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.817 112.7 43.6 -68.2 -27.3 50.3 16.9 17.5 95 95 A L H X S+ 0 0 30 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.883 115.2 49.0 -79.7 -39.2 53.1 18.1 15.3 96 96 A Y H X S+ 0 0 89 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.878 114.8 45.6 -64.0 -39.2 54.6 20.0 18.1 97 97 A T H >X>S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 5,-1.5 0.883 110.1 52.0 -70.9 -43.7 54.4 17.0 20.3 98 98 A S H 3<5S+ 0 0 2 -4,-1.8 3,-0.3 1,-0.2 -57,-0.2 0.897 105.3 58.7 -59.6 -39.7 55.7 14.6 17.7 99 99 A L H 3<5S+ 0 0 103 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.693 115.5 33.6 -63.3 -23.3 58.7 16.9 17.3 100 100 A H H <<5S- 0 0 68 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.514 107.2-119.6-110.1 -8.8 59.6 16.6 20.9 101 101 A G T <5S+ 0 0 0 -4,-1.5 -73,-1.3 -3,-0.3 2,-0.3 0.627 86.1 40.6 79.7 13.5 58.6 13.0 21.5 102 102 A Y S + 0 0 0 -80,-2.4 3,-2.6 81,-0.3 7,-0.1 -0.552 42.2 175.6 -79.5 79.5 53.4 16.5 25.3 104 104 A V T 3 S+ 0 0 39 -2,-1.8 -1,-0.2 1,-0.3 -80,-0.1 0.879 81.1 57.9 -53.0 -39.5 55.6 19.4 26.3 105 105 A F T >> S- 0 0 104 1,-0.2 4,-1.2 -3,-0.2 3,-0.9 0.304 103.8-146.7 -76.0 14.4 52.3 21.4 26.9 106 106 A G H X> - 0 0 9 -3,-2.6 4,-1.6 1,-0.2 3,-0.8 -0.003 58.4 -18.4 53.7-160.8 51.3 18.7 29.3 107 107 A P H 3> S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.765 134.3 63.0 -49.4 -28.4 47.6 17.7 29.7 108 108 A T H <> S+ 0 0 97 -3,-0.9 4,-2.2 2,-0.2 3,-0.3 0.961 105.3 44.3 -64.1 -48.7 46.6 21.0 28.1 109 109 A G H X S+ 0 0 2 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.923 115.7 41.5 -56.4 -49.6 29.7 11.4 11.8 126 126 A W H 3X S+ 0 0 15 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.851 108.7 58.8 -70.7 -32.2 26.7 13.5 12.8 127 127 A S H 3X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.767 103.7 55.7 -66.2 -21.8 26.9 15.4 9.5 128 128 A L H X S+ 0 0 77 -4,-2.3 4,-3.1 2,-0.2 3,-0.6 0.998 117.0 43.7 -65.1 -67.9 18.0 12.0 6.4 134 134 A E H 3X S+ 0 0 21 -4,-3.0 4,-2.0 1,-0.3 5,-0.2 0.895 114.9 53.3 -43.4 -45.4 18.0 14.8 3.9 135 135 A R H 3X S+ 0 0 9 -4,-4.4 4,-2.4 -5,-0.3 -1,-0.3 0.924 113.2 43.1 -56.6 -45.3 19.1 12.2 1.3 136 136 A Y H S+ 0 0 75 -4,-2.1 4,-1.0 -3,-0.6 5,-0.7 0.973 108.9 55.7 -64.6 -57.2 16.1 10.1 2.4 137 137 A V H <5S+ 0 0 23 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.789 114.9 40.6 -48.8 -33.2 13.6 13.0 2.5 138 138 A V H <5S+ 0 0 42 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.930 122.6 37.2 -84.9 -44.9 14.4 13.9 -1.1 139 139 A V H <5S+ 0 0 23 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.999 131.7 26.1 -68.6 -73.9 14.7 10.4 -2.6 140 140 A C T <5S- 0 0 35 -4,-1.0 -1,-0.2 -5,-0.2 -3,-0.2 0.435 100.2-153.9 -70.8 5.5 12.0 8.5 -0.8 141 141 A K < - 0 0 121 -5,-0.7 -3,-0.2 -6,-0.2 -4,-0.2 0.710 13.0-165.5 16.3 91.6 10.3 11.9 -0.4 142 142 A P + 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.786 68.9 56.7 -65.9 -36.5 8.1 11.6 2.8 143 143 A M S S- 0 0 96 -6,-0.3 3,-0.2 3,-0.1 0, 0.0 -0.580 76.9-136.0 -95.6 163.6 6.1 14.8 2.2 144 144 A S S S+ 0 0 120 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.166 103.3 14.9-103.1 17.3 4.1 15.6 -0.9 145 145 A N S S+ 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.150 92.1 131.7-177.9 36.5 5.4 19.2 -1.1 146 146 A F + 0 0 73 -3,-0.2 2,-0.3 -9,-0.1 -3,-0.1 -0.781 22.3 172.9-108.4 150.8 8.4 19.5 1.2 147 147 A R - 0 0 209 -2,-0.3 2,-0.5 0, 0.0 -9,-0.0 -0.969 35.7-112.8-153.4 133.5 11.9 21.1 0.6 148 148 A F - 0 0 47 -2,-0.3 2,-0.1 -14,-0.1 -2,-0.0 -0.544 33.7-157.8 -70.3 116.7 14.8 21.8 2.9 149 149 A G > - 0 0 18 -2,-0.5 4,-1.7 1,-0.1 5,-0.1 -0.258 36.1 -98.1 -83.4 179.9 15.3 25.6 3.3 150 150 A E H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.788 124.5 64.6 -69.0 -25.2 18.6 27.1 4.3 151 151 A N H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.966 101.0 47.8 -59.8 -52.9 17.1 27.2 7.8 152 152 A H H >> S+ 0 0 53 1,-0.3 4,-2.9 2,-0.2 3,-1.0 0.923 109.5 53.6 -53.7 -50.1 16.9 23.4 7.9 153 153 A A H 3X S+ 0 0 7 -4,-1.7 4,-2.8 1,-0.3 -1,-0.3 0.891 109.1 48.5 -52.6 -42.4 20.5 23.2 6.7 154 154 A I H 3X S+ 0 0 81 -4,-2.2 4,-1.8 2,-0.2 -1,-0.3 0.730 110.2 54.4 -71.2 -19.9 21.5 25.5 9.5 155 155 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 3,-0.6 0.861 113.3 48.5 -67.9 -38.6 29.7 16.4 18.6 165 165 A L H 3X S+ 0 0 59 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.855 102.8 63.4 -67.9 -36.4 30.1 18.7 21.7 166 166 A A H 3< S+ 0 0 37 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.750 115.6 31.9 -59.0 -23.6 28.1 16.2 23.7 167 167 A C H << S+ 0 0 0 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.829 124.9 40.1-103.3 -39.7 30.8 13.7 23.1 168 168 A A H < S+ 0 0 0 -4,-2.8 -3,-0.2 1,-0.2 4,-0.2 0.849 111.5 52.0 -83.0 -35.3 33.9 15.8 22.9 169 169 A A S >< S+ 0 0 30 -4,-2.6 3,-2.3 -5,-0.2 4,-0.5 0.851 92.1 72.3 -74.6 -35.2 33.4 18.4 25.6 170 170 A P G > >S+ 0 0 20 0, 0.0 3,-2.3 0, 0.0 5,-1.6 0.884 90.9 59.1 -46.6 -48.7 32.6 16.0 28.6 171 171 A P G 3 5S+ 0 0 7 0, 0.0 7,-0.5 0, 0.0 3,-0.4 0.619 100.2 58.1 -57.3 -14.0 36.2 14.7 28.9 172 172 A L G < 5S+ 0 0 80 -3,-2.3 -3,-0.1 1,-0.2 4,-0.1 0.536 110.2 43.8 -91.6 -9.2 37.4 18.3 29.5 173 173 A V T < 5S- 0 0 117 -3,-2.3 -1,-0.2 -4,-0.5 4,-0.1 -0.140 129.7 -69.6-131.4 38.0 35.1 18.6 32.6 174 174 A G T 5S+ 0 0 45 -3,-0.4 2,-0.7 2,-0.2 3,-0.1 0.425 97.8 107.0 96.9 -5.9 35.3 15.5 34.7 175 175 A W S >> -B 186 0B 4 5,-2.2 3,-1.6 -172,-0.1 5,-0.8 -0.914 46.0 -7.8-131.7 159.5 48.1 7.0 23.0 182 182 A G T 345S+ 0 0 3 -2,-0.3 104,-0.2 1,-0.3 105,-0.1 -0.439 139.3 3.4 61.8-122.3 50.5 4.9 21.0 183 183 A M T 345S- 0 0 11 -2,-0.3 -1,-0.3 102,-0.2 -155,-0.2 0.365 110.1-109.7 -76.2 7.7 53.9 6.6 20.9 184 184 A Q T <45S+ 0 0 1 -3,-1.6 -81,-0.3 101,-0.2 -2,-0.2 0.739 93.4 110.4 71.6 30.7 52.2 9.1 23.2 185 185 A C T <5S+ 0 0 1 -4,-0.8 2,-0.3 -83,-0.1 -87,-0.2 0.374 73.1 51.7-112.3 0.5 52.1 11.9 20.6 186 186 A S E > - 0 0 40 1,-0.2 3,-1.4 4,-0.1 5,-1.3 0.576 8.5-172.4 4.7 81.1 39.7 5.7 36.8 196 196 A E G > 5S+ 0 0 167 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.840 73.8 76.4 -58.9 -37.4 36.5 5.8 38.8 197 197 A E G 3 5S+ 0 0 169 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.694 111.3 25.4 -47.7 -25.9 37.4 9.3 40.0 198 198 A T G < 5S- 0 0 18 -3,-1.4 -22,-3.1 -4,-0.1 -1,-0.3 0.244 111.6-117.0-126.0 7.9 36.4 10.7 36.6 199 199 A N T <>5 + 0 0 92 -3,-2.0 4,-1.2 -4,-0.3 -3,-0.2 0.894 50.2 163.9 55.1 58.1 33.9 7.9 35.6 200 200 A N H >< + 0 0 1 -5,-1.3 4,-2.1 -6,-0.6 5,-0.2 0.910 63.1 56.8 -71.5 -51.8 35.7 6.5 32.5 201 201 A E H > S+ 0 0 64 -7,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.876 109.0 48.1 -54.0 -38.8 34.1 3.1 31.9 202 202 A S H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 109.1 51.6 -69.6 -42.2 30.6 4.7 31.7 203 203 A F H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.908 105.8 56.4 -60.4 -42.8 31.6 7.5 29.2 204 204 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.856 111.3 42.5 -58.4 -37.9 33.3 4.9 26.9 205 205 A I H X S+ 0 0 94 -4,-1.3 4,-1.3 -5,-0.2 5,-0.3 0.859 112.0 55.6 -76.7 -32.6 30.0 3.0 26.6 206 206 A Y H X>S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 5,-0.6 0.841 111.9 44.0 -66.0 -33.6 28.1 6.3 26.3 207 207 A M H X5S+ 0 0 20 -4,-2.3 4,-1.0 3,-0.2 -2,-0.2 0.878 111.7 50.0 -80.1 -40.2 30.3 7.2 23.4 208 208 A F H <>S+ 0 0 17 -4,-1.9 5,-2.3 -5,-0.2 -2,-0.2 0.696 122.2 34.2 -72.7 -19.3 30.3 3.8 21.5 209 209 A V H ><>S+ 0 0 60 -4,-1.3 5,-2.2 3,-0.2 3,-0.7 0.879 127.8 31.4 -99.3 -56.0 26.5 3.7 21.7 210 210 A V H 3<5S+ 0 0 48 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.862 130.3 36.7 -70.3 -38.3 25.3 7.2 21.4 211 211 A H T 3<5S+ 0 0 48 -3,-0.7 4,-2.3 -2,-0.1 5,-0.2 -0.254 120.1 46.2 179.7 -83.1 28.8 5.4 17.0 213 213 A I H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.842 113.3 55.3 -54.5 -30.7 24.4 7.0 14.2 216 216 A L H X S+ 0 0 19 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.920 105.3 50.8 -64.5 -47.4 25.7 4.1 12.1 217 217 A I H X S+ 0 0 97 -4,-2.0 4,-3.9 -3,-0.3 5,-0.3 0.929 111.1 48.1 -55.7 -51.5 22.3 2.2 12.3 218 218 A V H X S+ 0 0 53 -4,-2.0 4,-3.3 1,-0.2 5,-0.2 0.959 114.9 45.4 -51.2 -59.8 20.4 5.3 11.2 219 219 A I H X S+ 0 0 10 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.876 118.2 42.9 -54.2 -46.1 22.7 5.9 8.3 220 220 A F H X S+ 0 0 100 -4,-3.1 4,-2.2 2,-0.2 3,-0.4 0.942 115.4 46.8 -69.9 -50.5 22.7 2.3 7.3 221 221 A F H >< S+ 0 0 136 -4,-3.9 3,-0.7 1,-0.3 4,-0.5 0.980 109.2 55.1 -54.3 -56.9 19.1 1.6 7.7 222 222 A C H >X S+ 0 0 11 -4,-3.3 4,-1.4 -5,-0.3 3,-0.9 0.796 107.3 53.0 -44.6 -34.3 18.3 4.8 5.8 223 223 A Y H 3< S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.921 96.3 63.0 -69.5 -45.2 20.5 3.4 3.0 224 224 A G T << S+ 0 0 35 -4,-2.2 4,-0.3 -3,-0.7 3,-0.3 0.556 105.3 52.6 -56.2 -4.9 18.5 0.2 2.9 225 225 A Q T X> S+ 0 0 57 -3,-0.9 2,-1.4 -4,-0.5 4,-1.2 0.854 102.8 51.5 -93.8 -52.8 15.7 2.6 1.9 226 226 A L T 3< S+ 0 0 7 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 -0.161 95.1 83.4 -78.4 41.6 17.5 4.3 -0.9 227 227 A V T 34 S+ 0 0 75 -2,-1.4 -1,-0.2 -3,-0.3 -2,-0.1 0.761 97.3 30.4-106.0 -54.3 18.1 0.8 -2.1 228 228 A F T <4 S+ 0 0 197 -3,-0.8 -2,-0.2 -4,-0.3 3,-0.1 0.828 129.5 44.8 -74.3 -34.7 14.8 0.1 -3.9 229 229 A T S < S+ 0 0 60 -4,-1.2 -3,-0.1 1,-0.3 -89,-0.0 0.413 120.3 8.7 -81.4-136.0 14.5 3.8 -4.8 230 230 A V S S- 0 0 19 1,-0.1 -1,-0.3 2,-0.1 2,-0.3 -0.136 79.4-165.9 -46.5 127.6 17.5 5.8 -6.1 231 231 A K - 0 0 109 2,-0.3 21,-0.1 -3,-0.1 -4,-0.1 -0.756 37.3-107.1-118.1 166.5 20.4 3.4 -6.9 232 232 A E S S+ 0 0 92 -2,-0.3 2,-1.3 -5,-0.1 -1,-0.1 0.756 95.0 101.9 -60.5 -26.9 24.1 3.7 -7.6 233 233 A A + 0 0 62 1,-0.0 2,-0.5 19,-0.0 -2,-0.3 -0.485 57.3 177.1 -62.4 94.2 23.2 2.8 -11.1 234 234 A A - 0 0 53 -2,-1.3 -2,-0.1 -4,-0.1 11,-0.0 -0.942 5.2-176.0-109.9 121.5 23.4 6.4 -12.4 235 235 A A - 0 0 62 -2,-0.5 3,-0.1 1,-0.2 4,-0.1 0.126 29.3 -70.0 -93.7-151.0 22.8 7.1 -16.1 236 236 A Q S S- 0 0 135 1,-0.2 -1,-0.2 2,-0.2 9,-0.0 0.007 80.3 -20.1 -94.8-164.6 23.0 10.2 -18.3 237 237 A Q S S+ 0 0 142 2,-0.1 -1,-0.2 8,-0.1 5,-0.1 -0.141 122.7 10.0 -44.4 123.2 21.1 13.5 -18.8 238 238 A Q - 0 0 126 3,-0.1 4,-0.3 -3,-0.1 -2,-0.2 0.650 54.4-171.3 69.0 126.0 17.6 13.1 -17.4 239 239 A E S S- 0 0 37 2,-1.3 3,-0.1 -4,-0.1 -1,-0.1 0.414 98.8 -30.4-118.5 -12.5 17.0 10.0 -15.4 240 240 A S S S- 0 0 99 1,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.035 151.1 -0.4 167.6 17.0 13.2 10.9 -15.3 241 241 A A S > S- 0 0 38 2,-0.1 4,-3.2 1,-0.0 -2,-1.3 -0.358 79.6-112.1 148.7 132.2 14.2 14.5 -15.4 242 242 A T H > S+ 0 0 61 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.748 124.0 62.6 -54.9 -18.2 17.8 15.8 -15.5 243 243 A T H > S+ 0 0 114 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.995 105.3 39.3 -64.5 -66.0 16.6 16.9 -12.1 244 244 A Q H >> S+ 0 0 51 1,-0.2 3,-1.3 2,-0.2 4,-1.1 0.869 113.6 60.3 -50.8 -42.3 16.1 13.4 -10.9 245 245 A K H >X S+ 0 0 24 -4,-3.2 3,-2.1 1,-0.3 4,-0.7 0.967 104.3 44.7 -50.4 -65.9 19.3 12.5 -12.7 246 246 A A H 3X S+ 0 0 31 -4,-2.4 4,-1.1 1,-0.3 -1,-0.3 0.506 104.5 67.9 -60.2 -3.6 21.6 14.9 -10.8 247 247 A E H S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.936 116.0 42.8 -58.6 -43.7 40.5 0.7 12.6 268 268 A Y H > S+ 0 0 32 -4,-0.3 4,-3.2 23,-0.3 5,-0.2 0.989 116.8 45.6 -61.5 -61.4 40.8 3.3 15.3 269 269 A A H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.849 113.1 54.2 -50.4 -39.2 37.5 2.5 16.9 270 270 A G H X S+ 0 0 40 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.946 110.7 41.6 -63.3 -50.6 38.4 -1.1 16.6 271 271 A V H X S+ 0 0 22 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.934 115.2 54.5 -61.6 -42.4 41.7 -0.9 18.4 272 272 A A H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.872 108.9 45.8 -59.6 -42.8 40.0 1.4 20.9 273 273 A F H X S+ 0 0 106 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.928 111.3 53.7 -67.7 -42.3 37.3 -1.1 21.7 274 274 A Y H X S+ 0 0 99 -4,-2.3 4,-0.6 1,-0.2 3,-0.4 0.968 109.2 46.6 -51.1 -63.3 39.7 -3.9 22.0 275 275 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.849 110.5 54.1 -48.3 -42.9 41.9 -2.1 24.5 276 276 A F H >< S+ 0 0 20 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.926 114.3 41.0 -61.3 -41.3 38.8 -1.1 26.5 277 277 A T H 3< S+ 0 0 65 -4,-2.5 -1,-0.3 -3,-0.4 -2,-0.3 0.425 124.4 39.0 -86.5 1.5 37.9 -4.8 26.6 278 278 A H T X< S+ 0 0 82 -3,-1.0 3,-1.7 -4,-0.6 -1,-0.2 -0.206 78.2 171.5-143.1 47.6 41.5 -5.8 27.2 279 279 A Q T < + 0 0 65 -3,-0.7 -87,-0.1 1,-0.2 3,-0.1 -0.307 69.8 16.2 -60.4 138.1 42.7 -3.1 29.6 280 280 A G T 3 S+ 0 0 27 1,-0.2 -278,-0.7 -88,-0.2 -1,-0.2 0.372 94.6 128.8 81.9 -7.4 46.2 -4.0 31.1 281 281 A S S < S- 0 0 34 -3,-1.7 2,-1.3 -6,-0.2 -1,-0.2 -0.113 73.9 -82.6 -72.6-179.8 47.0 -6.6 28.5 282 282 A D + 0 0 129 -3,-0.1 2,-0.3 -279,-0.0 -1,-0.1 -0.558 69.0 139.5 -93.4 75.5 50.2 -6.6 26.5 283 283 A F - 0 0 18 -2,-1.3 -3,-0.0 -8,-0.0 0, 0.0 -0.781 39.5-134.3-107.5 158.8 49.8 -4.3 23.5 284 284 A G > - 0 0 34 -2,-0.3 4,-0.6 -271,-0.1 3,-0.3 -0.490 26.6 -94.3-107.5-179.7 52.6 -2.0 22.4 285 285 A P H > S+ 0 0 15 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.807 120.0 53.6 -61.4 -33.0 53.0 1.7 21.3 286 286 A I H > S+ 0 0 69 1,-0.2 4,-1.8 -104,-0.2 3,-0.1 0.861 89.2 81.2 -72.0 -34.1 52.6 1.1 17.6 287 287 A F H 4 S+ 0 0 80 -3,-0.3 -1,-0.2 1,-0.3 -16,-0.1 0.854 109.6 19.2 -35.5 -60.2 49.4 -0.8 18.1 288 288 A M H X S+ 0 0 4 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.3 0.622 110.3 76.3 -94.5 -13.5 47.3 2.4 18.4 289 289 A T H X S+ 0 0 4 -4,-1.0 4,-2.8 3,-0.2 5,-0.3 0.950 93.8 53.3 -62.9 -43.9 49.7 4.9 16.7 290 290 A I H X S+ 0 0 108 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.941 116.5 32.6 -59.6 -55.6 48.8 3.6 13.3 291 291 A P H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 -23,-0.3 0.868 118.0 56.8 -71.7 -31.1 45.0 3.9 13.3 292 292 A A H < S+ 0 0 6 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.930 115.6 35.2 -61.8 -48.6 45.1 6.9 15.5 293 293 A F H >< S+ 0 0 8 -4,-2.8 3,-0.7 -5,-0.3 -1,-0.2 0.818 115.1 56.1 -77.6 -30.5 47.3 8.9 13.1 294 294 A F H >< S+ 0 0 80 -4,-2.2 3,-1.7 -5,-0.3 -2,-0.2 0.872 100.5 59.8 -67.2 -37.0 45.7 7.4 9.9 295 295 A A G >< S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.695 86.2 77.3 -63.5 -21.3 42.3 8.6 11.1 296 296 A K G X S+ 0 0 13 -3,-0.7 3,-1.2 -4,-0.4 -1,-0.3 0.526 73.6 78.3 -68.6 -5.7 43.7 12.2 11.1 297 297 A T G X> S+ 0 0 33 -3,-1.7 3,-2.2 1,-0.3 4,-2.2 0.573 70.3 88.3 -76.6 -4.9 43.3 12.1 7.3 298 298 A S G <4 S+ 0 0 3 -3,-1.9 4,-0.4 1,-0.3 -1,-0.3 0.629 75.0 66.6 -63.7 -15.8 39.6 12.7 8.2 299 299 A A G <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.1 0.444 114.8 25.1 -86.0 -0.0 40.4 16.4 8.2 300 300 A V T <> S+ 0 0 14 -3,-2.2 4,-1.2 2,-0.1 -2,-0.2 0.664 100.1 73.1-133.4 -33.7 41.0 16.3 4.4 301 301 A Y H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.829 88.6 67.1 -61.9 -30.5 39.3 13.5 2.5 302 302 A N H > S+ 0 0 4 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.933 102.8 43.4 -55.0 -54.5 35.8 15.1 2.7 303 303 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.826 112.1 55.3 -60.0 -33.1 36.7 18.1 0.5 304 304 A V H X S+ 0 0 14 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.945 108.4 46.0 -65.8 -46.8 38.5 15.9 -2.0 305 305 A I H X S+ 0 0 21 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 113.8 52.5 -61.1 -37.6 35.5 13.6 -2.4 306 306 A Y H < S+ 0 0 1 -4,-1.9 8,-0.2 -5,-0.2 -2,-0.2 0.941 110.9 42.8 -64.3 -53.5 33.4 16.7 -2.8 307 307 A I H >< S+ 0 0 4 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.846 118.8 45.7 -66.2 -33.4 35.4 18.4 -5.5 308 308 A M H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.778 119.4 40.5 -80.3 -26.1 35.8 15.2 -7.4 309 309 A M T 3< S+ 0 0 39 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.083 105.3 68.0-110.8 24.2 32.2 14.2 -7.1 310 310 A N <> - 0 0 8 -3,-0.5 4,-2.9 -4,-0.2 5,-0.3 -0.712 52.2-173.6-147.0 93.3 30.5 17.5 -7.7 311 311 A K H > S+ 0 0 40 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.832 89.1 51.6 -52.8 -38.2 30.7 19.0 -11.1 312 312 A Q H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 113.0 40.8 -70.5 -43.6 29.0 22.2 -9.8 313 313 A F H > S+ 0 0 1 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.897 114.2 53.6 -71.1 -39.2 31.3 22.8 -6.8 314 314 A R H X S+ 0 0 21 -4,-2.9 4,-2.7 -8,-0.2 -2,-0.2 0.897 111.3 47.0 -58.0 -43.0 34.4 21.9 -8.8 315 315 A N H X S+ 0 0 7 -4,-1.8 4,-3.3 -5,-0.3 -1,-0.2 0.881 109.1 52.2 -66.4 -43.5 33.3 24.4 -11.4 316 316 A C H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.809 112.8 48.1 -63.6 -28.9 32.6 27.1 -8.9 317 317 A M H X S+ 0 0 16 -4,-1.8 4,-3.8 2,-0.2 5,-0.2 0.917 112.1 46.0 -76.2 -47.1 36.1 26.4 -7.6 318 318 A V H X S+ 0 0 38 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.921 113.4 51.5 -60.9 -42.9 37.8 26.5 -11.0 319 319 A T H < S+ 0 0 8 -4,-3.3 -1,-0.2 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