==== 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 TRANSFERASE 01-JUN-02 1LWO . COMPND 2 MOLECULE: GLYCOGEN PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR N.G.OIKONOMAKOS,E.D.CHRYSINA,M.N.KOSMOPOULOU,D.D.LEONIDAS . 815 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 605 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0.2 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 . 60 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 1 2 6 2 3 1 4 2 1 0 1 0 2 0 1 0 1 0 1 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 2 2 3 2 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 PARALLEL BRIDGES PER LADDER . 0 3 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 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 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 S 0 0 144 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 118.3 22.8 -9.9 73.2 2 6 A D > - 0 0 100 1,-0.2 3,-1.6 2,-0.1 4,-0.4 -0.500 360.0-162.3 -67.0 109.2 21.2 -12.2 70.6 3 7 A Q T 3 S+ 0 0 106 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.599 84.8 71.9 -68.6 -12.8 22.5 -10.9 67.2 4 8 A E T > S+ 0 0 117 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.693 87.6 65.2 -75.3 -18.2 19.7 -12.8 65.4 5 9 A K G X S+ 0 0 143 -3,-1.6 3,-1.7 1,-0.2 4,-0.2 0.831 89.7 64.9 -70.5 -34.1 17.3 -10.2 66.8 6 10 A R G 3 S+ 0 0 159 -4,-0.4 3,-0.3 -3,-0.3 -1,-0.2 0.390 80.2 81.2 -71.7 4.5 19.0 -7.5 64.8 7 11 A K G < S+ 0 0 125 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.615 78.8 68.9 -83.3 -13.0 17.8 -9.3 61.6 8 12 A Q S < S+ 0 0 162 -3,-1.7 2,-1.7 1,-0.1 -1,-0.2 0.774 77.1 88.9 -71.5 -29.5 14.4 -7.6 62.2 9 13 A I + 0 0 132 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.565 67.2 131.6 -72.6 86.4 16.2 -4.3 61.3 10 14 A X - 0 0 98 -2,-1.7 3,-0.3 3,-0.0 -3,-0.0 -0.945 66.6-136.5-141.0 158.9 15.6 -4.5 57.6 11 15 A V S > S+ 0 0 22 -2,-0.3 3,-1.0 1,-0.2 4,-0.3 0.322 72.2 118.9 -95.1 7.0 14.3 -2.4 54.7 12 16 A R T 3 S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.657 85.3 8.4 -45.6 -36.6 12.3 -5.5 53.6 13 17 A G T 3 S+ 0 0 61 -3,-0.3 -1,-0.3 2,-0.0 4,-0.1 -0.420 96.0 110.5-150.9 68.0 8.8 -4.2 53.8 14 18 A L < + 0 0 115 -3,-1.0 -2,-0.1 2,-0.1 3,-0.1 0.822 67.6 42.6-105.4 -80.1 8.9 -0.5 54.5 15 19 A A S S- 0 0 30 -4,-0.3 11,-0.1 42,-0.2 43,-0.1 0.651 95.1-138.1 -48.1 -20.6 7.8 2.1 51.8 16 20 A G - 0 0 22 2,-0.1 -2,-0.1 7,-0.0 -1,-0.1 -0.082 43.0 -39.5 78.7 170.6 4.8 -0.1 50.9 17 21 A V - 0 0 102 1,-0.1 2,-1.6 -3,-0.1 5,-0.2 -0.242 62.3-106.9 -67.0 159.0 3.7 -0.7 47.3 18 22 A E S S+ 0 0 77 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.402 76.4 121.7 -86.2 60.5 3.9 2.2 44.8 19 23 A N S > S- 0 0 68 -2,-1.6 4,-1.6 1,-0.0 3,-0.3 -0.759 76.4-102.5-116.3 165.3 0.1 2.8 44.6 20 24 A V H > S+ 0 0 31 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.839 113.5 58.7 -57.7 -39.2 -1.8 5.9 45.3 21 25 A T H > S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 109.2 41.9 -60.5 -46.4 -3.1 4.9 48.7 22 26 A E H > S+ 0 0 73 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.862 112.0 56.6 -69.9 -34.3 0.3 4.4 50.3 23 27 A L H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.900 106.4 48.1 -63.4 -43.4 1.7 7.6 48.7 24 28 A K H X S+ 0 0 57 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.900 109.8 54.0 -64.6 -40.7 -1.0 9.8 50.2 25 29 A K H X S+ 0 0 126 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.940 112.9 42.2 -57.8 -49.1 -0.4 8.3 53.6 26 30 A N H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.800 109.6 57.6 -69.7 -30.9 3.3 9.1 53.4 27 31 A F H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.967 111.4 43.9 -62.3 -49.5 2.7 12.5 51.9 28 32 A N H X S+ 0 0 74 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.914 110.9 53.3 -59.1 -48.3 0.6 13.2 55.0 29 33 A R H X>S+ 0 0 112 -4,-2.6 4,-2.5 1,-0.2 5,-0.9 0.931 112.9 44.5 -54.4 -46.8 3.1 11.7 57.4 30 34 A H H <>S+ 0 0 11 -4,-2.5 5,-2.5 3,-0.2 4,-0.4 0.888 108.8 56.0 -67.2 -40.3 5.9 13.8 55.9 31 35 A L H <5S+ 0 0 6 -4,-2.6 6,-1.2 -5,-0.2 -1,-0.2 0.924 123.8 24.7 -58.6 -43.2 3.8 17.0 55.9 32 36 A H H X5S+ 0 0 69 -4,-2.3 4,-1.4 4,-0.2 -2,-0.2 0.957 132.6 31.2 -85.7 -60.9 3.1 16.6 59.7 33 37 A F T <5S+ 0 0 172 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.899 129.0 34.9 -69.4 -42.3 6.0 14.6 61.2 34 38 A T T 4> - 0 0 56 -2,-0.3 4,-1.9 -3,-0.1 3,-0.6 -0.810 41.1 -90.7-133.1 174.7 -0.7 21.2 59.1 39 43 A R T 34 S+ 0 0 192 -2,-0.3 -7,-0.0 1,-0.2 -8,-0.0 0.618 122.4 59.8 -65.7 -9.2 -3.1 21.9 56.3 40 44 A N T 34 S+ 0 0 123 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.844 117.3 23.7 -87.6 -36.3 -3.8 25.3 57.9 41 45 A V T <4 S+ 0 0 84 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.538 93.6 118.3-105.6 -9.1 -0.4 26.8 57.9 42 46 A A < - 0 0 18 -4,-1.9 -5,-0.0 4,-0.1 -11,-0.0 -0.334 44.6-162.7 -64.9 136.7 1.1 24.8 55.0 43 47 A T >> - 0 0 65 -2,-0.1 4,-2.0 1,-0.0 3,-0.7 -0.629 39.1 -95.3-110.1 169.8 2.3 26.7 51.9 44 48 A P H 3> S+ 0 0 59 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.851 126.3 58.0 -56.7 -32.1 3.0 25.3 48.4 45 49 A R H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.892 105.7 49.4 -64.0 -37.7 6.7 25.1 49.4 46 50 A D H <> S+ 0 0 19 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.881 110.4 50.1 -66.6 -39.9 5.7 22.8 52.3 47 51 A Y H X S+ 0 0 40 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.859 107.7 54.4 -68.4 -33.8 3.6 20.7 49.9 48 52 A Y H X S+ 0 0 8 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.925 109.8 46.9 -65.6 -42.3 6.6 20.5 47.6 49 53 A F H X S+ 0 0 23 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.878 107.7 55.2 -67.2 -36.8 8.8 19.2 50.4 50 54 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.902 111.6 45.4 -62.7 -38.9 6.3 16.7 51.6 51 55 A L H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.914 110.4 52.7 -70.0 -43.0 6.2 15.2 48.0 52 56 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.907 111.2 47.5 -58.7 -42.7 10.0 15.3 47.7 53 57 A H H X S+ 0 0 29 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.850 109.5 53.5 -67.4 -34.8 10.3 13.3 50.9 54 58 A T H X S+ 0 0 2 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.914 113.6 41.7 -66.4 -42.6 7.7 10.9 49.8 55 59 A V H >X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 3,-0.6 0.876 108.7 61.1 -70.5 -38.9 9.5 10.2 46.6 56 60 A R H 3X S+ 0 0 88 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.890 94.9 62.9 -55.3 -41.5 12.9 10.1 48.4 57 61 A D H 3X S+ 0 0 29 -4,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.906 105.0 45.2 -52.8 -44.9 11.7 7.2 50.5 58 62 A H H + 0 0 24 33,-0.2 4,-1.7 -2,-0.1 5,-0.2 0.634 64.7 78.7-115.8 -19.6 15.9 16.4 41.0 91 95 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.971 100.6 37.4 -57.6 -61.5 12.2 15.8 41.8 92 96 A Q H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 115.2 54.6 -59.4 -43.8 10.8 15.1 38.3 93 97 A N H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.832 110.5 47.3 -60.2 -32.1 14.0 13.3 37.2 94 98 A T H X S+ 0 0 0 -4,-1.7 4,-1.4 -3,-0.4 -2,-0.2 0.920 109.9 51.1 -75.7 -44.1 13.6 10.9 40.2 95 99 A M H X>S+ 0 0 0 -4,-2.4 5,-3.1 1,-0.2 6,-1.0 0.904 113.1 47.5 -58.6 -41.2 9.9 10.3 39.6 96 100 A V H <5S+ 0 0 3 -4,-2.5 3,-0.5 3,-0.2 -1,-0.2 0.916 111.3 47.0 -68.9 -45.8 10.6 9.4 36.0 97 101 A N H <5S+ 0 0 1 -4,-1.8 133,-2.4 1,-0.2 135,-0.3 0.699 119.6 42.1 -70.7 -17.0 13.6 7.1 36.5 98 102 A L H <5S- 0 0 11 -4,-1.4 -1,-0.2 131,-0.1 -2,-0.2 0.478 109.7-123.3-103.9 -7.9 11.6 5.3 39.3 99 103 A A T <5S+ 0 0 54 -4,-0.7 -3,-0.2 -3,-0.5 4,-0.2 0.894 76.5 121.1 66.0 43.7 8.3 5.3 37.3 100 104 A L >< + 0 0 2 -5,-3.1 4,-2.4 -6,-0.2 5,-0.3 0.456 34.7 103.0-111.9 -6.9 6.4 7.1 40.0 101 105 A E H > S+ 0 0 68 -6,-1.0 4,-1.5 1,-0.2 -5,-0.1 0.835 84.1 43.9 -45.4 -46.6 5.3 10.1 38.0 102 106 A N H > S+ 0 0 129 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.951 112.8 47.3 -68.8 -51.3 1.8 9.0 37.5 103 107 A A H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.859 113.0 51.3 -59.3 -36.4 1.0 7.8 41.0 104 108 A C H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.875 109.4 50.9 -68.6 -37.9 2.4 11.0 42.4 105 109 A D H X S+ 0 0 76 -4,-1.5 4,-1.3 -5,-0.3 -2,-0.2 0.950 115.0 41.5 -64.1 -49.0 0.2 12.9 40.0 106 110 A E H X S+ 0 0 83 -4,-2.7 4,-2.2 1,-0.2 3,-0.2 0.922 113.6 52.8 -64.7 -45.8 -2.9 11.0 41.1 107 111 A A H < S+ 0 0 5 -4,-3.0 4,-0.3 1,-0.2 -1,-0.2 0.861 111.1 46.7 -60.0 -36.2 -2.1 11.1 44.8 108 112 A T H <>S+ 0 0 2 -4,-1.9 5,-2.8 1,-0.2 -1,-0.2 0.756 109.0 55.5 -78.6 -23.6 -1.5 14.9 44.7 109 113 A Y H ><5S+ 0 0 171 -4,-1.3 3,-1.7 -3,-0.2 -2,-0.2 0.920 104.0 52.8 -72.5 -44.1 -4.8 15.4 42.8 110 114 A Q T 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.599 106.5 55.1 -67.0 -12.5 -6.8 13.5 45.4 111 115 A L T 3 5S- 0 0 58 -4,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.418 122.2-106.7 -99.4 -0.9 -5.3 15.8 48.1 112 116 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.770 80.4 122.0 82.4 27.9 -6.5 18.9 46.2 113 117 A L < - 0 0 32 -5,-2.8 2,-0.6 -6,-0.1 -1,-0.3 -0.866 59.2-131.0-123.6 157.7 -3.0 19.8 45.0 114 118 A D > - 0 0 80 -2,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.931 10.9-159.5-111.2 114.0 -1.4 20.4 41.7 115 119 A M H > S+ 0 0 7 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.811 88.3 57.4 -61.7 -36.9 1.9 18.6 41.1 116 120 A E H > S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.905 106.1 50.6 -63.5 -38.9 3.1 20.8 38.3 117 121 A E H 4 S+ 0 0 101 -3,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.889 110.2 51.3 -63.9 -39.4 2.9 23.9 40.5 118 122 A L H >< S+ 0 0 2 -4,-1.4 3,-2.0 1,-0.2 4,-0.5 0.912 103.3 57.2 -64.3 -45.6 4.8 22.0 43.2 119 123 A E H >< S+ 0 0 19 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.819 97.8 62.4 -56.3 -34.1 7.7 21.0 40.9 120 124 A E T 3< S+ 0 0 91 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.564 92.0 67.8 -69.9 -9.0 8.4 24.6 39.9 121 125 A I T < S+ 0 0 36 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.748 75.7 104.8 -83.1 -24.8 9.2 25.3 43.6 122 126 A E S < S- 0 0 11 -3,-1.1 2,-0.2 -4,-0.5 -33,-0.1 -0.328 71.0-126.3 -64.1 133.1 12.4 23.2 43.5 123 127 A E - 0 0 96 55,-0.1 -33,-0.2 -2,-0.1 2,-0.2 -0.522 23.9-112.7 -78.7 143.6 15.7 25.1 43.4 124 128 A D - 0 0 15 -2,-0.2 2,-1.3 -35,-0.1 -35,-0.2 -0.516 20.7-130.0 -72.9 140.0 18.2 24.2 40.7 125 129 A A - 0 0 14 -37,-0.5 -37,-1.6 -2,-0.2 2,-0.9 -0.768 32.1-177.7 -92.0 92.2 21.4 22.6 42.1 126 130 A G E +J 86 0B 2 -2,-1.3 35,-2.7 -40,-0.2 2,-0.8 -0.299 27.6 140.8 -92.2 55.0 23.8 24.9 40.3 127 131 A L E +J 85 0B 6 -2,-0.9 -42,-2.4 -42,-0.7 2,-0.3 -0.158 61.4 61.2 -87.5 43.0 27.2 23.5 41.2 128 132 A G S S- 0 0 0 -2,-0.8 33,-0.3 -44,-0.3 3,-0.1 -0.979 70.1-136.8-158.7 164.3 28.6 24.1 37.8 129 133 A N - 0 0 6 -2,-0.3 2,-0.2 141,-0.1 458,-0.2 0.820 68.3 -71.8 -95.1 -40.3 29.3 26.9 35.3 130 134 A G S > S+ 0 0 16 417,-0.1 4,-2.6 418,-0.0 5,-0.3 -0.581 98.9 11.7-174.2-118.9 28.1 25.3 32.1 131 135 A G H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.852 122.8 50.1 -57.2 -43.4 29.1 22.6 29.6 132 136 A L H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.940 115.8 42.3 -64.2 -46.7 31.8 21.0 31.7 133 137 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -47,-1.1 0.904 114.2 50.2 -67.7 -41.4 29.6 20.7 34.8 134 138 A R H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.825 104.7 58.4 -67.2 -31.6 26.5 19.6 33.0 135 139 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.909 104.1 52.3 -64.5 -39.9 28.4 16.9 31.2 136 140 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.873 109.4 49.5 -62.7 -38.3 29.3 15.4 34.5 137 141 A A H X S+ 0 0 4 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.885 111.5 48.2 -68.4 -38.7 25.7 15.4 35.5 138 142 A C H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 110.8 51.8 -66.7 -42.3 24.6 13.7 32.3 139 143 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.864 105.2 55.2 -62.5 -39.2 27.4 11.1 32.7 140 144 A L H X S+ 0 0 6 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.951 109.7 47.0 -60.1 -47.1 26.2 10.3 36.3 141 145 A D H X S+ 0 0 14 -4,-1.7 4,-2.2 1,-0.2 88,-0.3 0.911 115.4 46.3 -59.1 -44.9 22.7 9.5 34.9 142 146 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.893 109.0 52.8 -67.3 -43.1 24.2 7.4 32.2 143 147 A M H <>S+ 0 0 1 -4,-3.2 5,-2.6 2,-0.2 -1,-0.2 0.865 112.4 46.4 -62.5 -34.1 26.6 5.5 34.3 144 148 A A H ><5S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.2 84,-0.3 0.925 111.8 50.6 -71.9 -44.6 23.7 4.6 36.7 145 149 A T H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.762 110.2 50.6 -64.2 -26.7 21.5 3.6 33.8 146 150 A L T 3<5S- 0 0 17 -4,-1.9 663,-1.5 -5,-0.1 -1,-0.3 0.208 114.8-118.1 -96.5 14.5 24.3 1.4 32.4 147 151 A G T < 5 + 0 0 25 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.810 56.4 157.2 54.7 40.3 24.7 -0.3 35.7 148 152 A L < - 0 0 2 -5,-2.6 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4,-1.9 1,-0.2 3,-0.6 -0.865 56.4-170.0-119.5 102.9 30.7 45.3 3.0 715 736 A P H 3> S+ 0 0 79 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.891 88.4 54.0 -51.7 -48.8 28.4 48.3 3.1 716 737 A E H 3> S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.844 110.0 48.9 -58.3 -34.4 25.8 46.7 5.4 717 738 A L H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.858 108.5 53.0 -72.5 -38.0 28.7 46.0 7.9 718 739 A R H X S+ 0 0 79 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.957 107.8 51.4 -60.4 -50.7 30.0 49.6 7.6 719 740 A Q H X S+ 0 0 64 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.853 109.1 50.6 -54.9 -40.7 26.5 50.9 8.5 720 741 A I H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.964 112.6 45.1 -64.5 -51.2 26.3 48.7 11.5 721 742 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.898 112.6 52.2 -59.5 -40.8 29.6 49.8 12.9 722 743 A E H X S+ 0 0 95 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.917 108.9 50.4 -62.4 -41.1 28.8 53.4 12.1 723 744 A Q H X>S+ 0 0 24 -4,-2.3 5,-2.3 -5,-0.2 4,-0.6 0.911 110.8 49.9 -61.9 -42.8 25.5 53.0 14.0 724 745 A L H <5S+ 0 0 3 -4,-2.4 3,-0.4 1,-0.2 13,-0.4 0.878 113.8 43.2 -63.4 -43.2 27.4 51.5 17.0 725 746 A S H <5S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 108.8 58.3 -75.0 -30.5 30.0 54.3 17.2 726 747 A S H <5S- 0 0 88 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.580 114.9-110.3 -76.3 -11.9 27.6 57.1 16.7 727 748 A G T ><5S+ 0 0 6 -4,-0.6 3,-0.9 -3,-0.4 -3,-0.2 0.705 70.4 143.8 89.0 20.3 25.5 56.2 19.7 728 749 A F T 3 S+ 0 0 92 1,-0.2 3,-1.5 -9,-0.1 4,-0.2 0.005 76.0 120.6-102.7 29.3 30.5 56.2 22.9 736 757 A L T < S+ 0 0 27 -3,-2.2 3,-0.4 -6,-0.3 -1,-0.2 0.836 80.8 42.1 -60.5 -34.0 29.2 53.5 25.3 737 758 A F T 3> S+ 0 0 1 -13,-0.4 4,-2.2 -3,-0.3 3,-0.3 0.096 75.6 117.7-102.6 24.1 30.2 50.6 22.9 738 759 A K H <> S+ 0 0 127 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.830 74.3 56.1 -58.1 -33.6 33.6 52.1 21.9 739 760 A D H > S+ 0 0 85 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.890 107.7 46.3 -67.1 -41.4 35.3 49.1 23.4 740 761 A I H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.948 114.5 47.1 -65.7 -49.6 33.4 46.5 21.3 741 762 A V H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.928 112.2 49.6 -58.6 -47.7 33.8 48.4 18.1 742 763 A N H X>S+ 0 0 81 -4,-2.4 4,-2.8 -5,-0.2 5,-0.6 0.907 111.7 50.0 -59.7 -40.7 37.5 48.9 18.7 743 764 A M H X5S+ 0 0 14 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.930 110.4 48.0 -63.3 -47.5 37.9 45.2 19.5 744 765 A L H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 9,-0.2 0.866 118.2 43.0 -61.1 -37.2 36.0 44.1 16.3 745 766 A M H <5S+ 0 0 24 -4,-2.3 -37,-0.4 -5,-0.2 -38,-0.3 0.861 134.3 6.9 -78.8 -39.7 38.1 46.5 14.2 746 767 A H H <5S+ 0 0 117 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.648 130.2 33.4-123.2 -17.9 41.6 45.9 15.6 747 768 A H << + 0 0 126 -4,-1.7 2,-0.9 -5,-0.6 -3,-0.2 -0.114 65.9 141.6-137.9 45.7 41.8 43.1 18.2 748 769 A D > + 0 0 13 -4,-0.3 3,-0.9 1,-0.2 -4,-0.1 -0.761 20.8 179.3 -92.4 102.2 39.4 40.4 17.2 749 770 A R T 3 S+ 0 0 120 -2,-0.9 -1,-0.2 1,-0.2 -5,-0.0 0.614 82.6 51.7 -74.6 -13.0 40.9 36.9 17.9 750 771 A F T 3 S- 0 0 8 -199,-0.0 -1,-0.2 -100,-0.0 -102,-0.1 0.218 99.9-130.4-113.1 16.0 37.8 35.2 16.7 751 772 A K <> + 0 0 9 -3,-0.9 4,-0.7 1,-0.1 3,-0.4 0.796 36.1 171.1 39.0 56.8 37.3 36.9 13.3 752 773 A V H >> S+ 0 0 4 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.937 76.6 52.0 -55.8 -50.7 33.6 37.9 13.6 753 774 A F H >> S+ 0 0 1 1,-0.3 3,-0.8 -9,-0.2 4,-0.6 0.798 99.3 65.2 -56.7 -34.1 33.8 40.0 10.4 754 775 A A H 34 S+ 0 0 16 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.739 109.9 36.0 -64.7 -24.2 35.2 37.1 8.4 755 776 A D H S+ 0 0 95 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 111.6 55.6 -65.0 -37.4 28.3 33.8 4.9 759 780 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.944 108.7 45.5 -60.8 -51.2 26.3 33.9 8.1 760 781 A V H X S+ 0 0 7 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.922 112.5 50.2 -60.7 -45.8 23.7 36.4 6.8 761 782 A K H X S+ 0 0 103 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.922 112.3 48.8 -58.2 -44.6 23.2 34.5 3.5 762 783 A C H X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.900 107.0 54.6 -61.7 -43.6 22.8 31.3 5.4 763 784 A Q H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.823 103.8 58.0 -60.5 -30.5 20.2 33.0 7.7 764 785 A E H X S+ 0 0 100 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.897 103.9 49.8 -67.2 -39.4 18.4 33.9 4.5 765 786 A R H X S+ 0 0 127 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.843 107.6 55.0 -67.9 -31.8 18.1 30.2 3.6 766 787 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.962 109.1 47.5 -63.6 -49.7 16.7 29.5 7.1 767 788 A S H X S+ 0 0 26 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.856 109.4 54.7 -58.4 -37.6 14.0 32.1 6.6 768 789 A A H < S+ 0 0 54 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.925 109.8 45.6 -63.3 -45.4 13.2 30.7 3.1 769 790 A L H >< S+ 0 0 32 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.825 105.9 58.4 -68.7 -34.2 12.6 27.1 4.5 770 791 A Y H 3< S+ 0 0 48 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 93.1 69.5 -66.1 -26.8 10.5 28.3 7.4 771 792 A K T 3< S+ 0 0 136 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.671 96.7 58.5 -64.5 -15.3 8.1 29.8 4.9 772 793 A N S X> S- 0 0 76 -3,-1.5 4,-2.3 -4,-0.2 3,-0.9 -0.727 71.5-172.0-119.6 82.0 7.3 26.3 4.0 773 794 A P H 3> S+ 0 0 88 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.814 81.0 49.9 -37.2 -54.4 6.0 24.5 7.1 774 795 A R H 3> S+ 0 0 88 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.857 114.8 43.3 -61.1 -38.7 5.8 20.9 5.7 775 796 A E H <> S+ 0 0 58 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.832 113.1 52.9 -77.4 -30.3 9.4 21.0 4.3 776 797 A W H >X S+ 0 0 13 -4,-2.3 4,-2.0 -7,-0.3 3,-0.5 0.976 111.6 45.5 -65.3 -52.5 10.7 22.7 7.5 777 798 A T H 3X S+ 0 0 14 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.771 109.1 56.7 -61.4 -28.6 9.1 20.0 9.7 778 799 A R H 3X S+ 0 0 34 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.2 0.837 107.3 47.1 -74.9 -31.7 10.4 17.2 7.4 779 800 A M H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 3,-0.9 0.931 106.1 51.0 -57.3 -47.9 13.4 18.5 11.5 781 802 A I H 3X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.863 105.7 55.5 -60.0 -35.6 12.3 14.9 11.5 782 803 A R H 3< S+ 0 0 76 -4,-1.3 4,-0.3 2,-0.2 -1,-0.3 0.744 112.2 45.5 -68.6 -22.5 15.5 14.0 9.6 783 804 A N H X< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.9 4,-0.4 0.952 112.1 46.0 -82.2 -60.6 17.4 15.6 12.5 784 805 A I H >< S+ 0 0 5 -4,-2.7 3,-1.0 1,-0.3 4,-0.2 0.852 110.5 58.1 -49.0 -39.5 15.5 14.2 15.5 785 806 A A T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 -5,-0.3 -284,-0.2 0.671 110.5 39.6 -69.2 -20.3 15.7 10.8 13.8 786 807 A T T X S+ 0 0 5 -3,-1.9 3,-0.5 -4,-0.3 -1,-0.2 0.210 86.5 93.7-114.9 16.6 19.5 10.7 13.6 787 808 A S G X + 0 0 3 -3,-1.0 3,-2.6 -4,-0.4 -1,-0.1 0.561 54.5 102.3 -83.3 -7.4 20.4 12.3 17.0 788 809 A G G > + 0 0 6 -294,-0.3 3,-1.3 1,-0.3 -293,-0.3 0.785 69.1 64.1 -45.1 -38.5 20.7 8.9 18.6 789 810 A K G < S+ 0 0 39 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.719 93.1 64.8 -63.2 -19.5 24.5 8.9 18.5 790 811 A F G < S+ 0 0 4 -3,-2.6 -325,-2.3 -326,-0.1 2,-0.4 0.127 70.1 119.1 -95.0 24.1 24.6 11.9 20.9 791 812 A S B X> -p 465 0G 4 -3,-1.3 3,-1.3 -327,-0.3 4,-1.3 -0.709 68.6-131.3 -87.0 138.4 23.1 10.1 23.9 792 813 A S H 3> S+ 0 0 0 -327,-2.3 4,-3.2 -2,-0.4 5,-0.3 0.735 104.9 70.8 -61.4 -22.3 25.4 10.0 26.9 793 814 A D H 3> S+ 0 0 12 -328,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.881 99.9 47.3 -62.3 -35.4 24.7 6.3 27.2 794 815 A R H <> S+ 0 0 40 -3,-1.3 4,-1.9 -6,-0.2 -2,-0.2 0.934 112.4 48.4 -70.2 -45.7 26.8 5.9 24.0 795 816 A T H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.945 114.0 46.0 -58.8 -50.1 29.6 8.1 25.3 796 817 A I H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.899 107.4 57.4 -62.0 -41.5 29.7 6.2 28.6 797 818 A A H X S+ 0 0 14 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.905 109.1 47.7 -55.7 -40.4 29.6 2.8 26.9 798 819 A Q H X S+ 0 0 59 -4,-1.9 4,-2.5 2,-0.2 5,-0.4 0.877 111.4 48.3 -69.7 -39.0 32.7 3.9 25.0 799 820 A Y H X>S+ 0 0 0 -4,-1.9 4,-2.9 3,-0.2 5,-2.4 0.960 112.5 50.7 -63.4 -50.3 34.6 5.2 28.1 800 821 A A H <>S+ 0 0 0 -4,-3.1 6,-2.2 3,-0.2 5,-2.1 0.931 119.4 33.8 -50.0 -57.1 33.7 2.0 30.0 801 822 A R H <5S+ 0 0 149 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.878 128.8 33.4 -71.7 -42.0 34.9 -0.4 27.3 802 823 A E H <5S+ 0 0 106 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.707 134.2 16.0 -92.9 -21.8 37.9 1.6 25.9 803 824 A I T <5S+ 0 0 8 -4,-2.9 -3,-0.2 -5,-0.4 -4,-0.1 0.761 129.2 35.4-117.3 -46.6 39.2 3.4 29.0 804 825 A W T