==== 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 13-SEP-00 1FTW . COMPND 2 MOLECULE: GLYCOGEN PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR K.A.WATSON,K.E.TSITSANOU,M.GREGORIOU,S.E.ZOGRAPHOS,V.T.SKAMN . 830 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 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 . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 7 1 2 2 5 1 0 0 2 0 3 0 0 0 1 0 0 1 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 1 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 2 2 1 2 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 13 A I 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.9 -1.9 10.7 30.0 2 14 A S - 0 0 35 3,-0.2 2,-0.4 487,-0.0 3,-0.1 -0.884 360.0 -70.3 156.5-178.5 1.4 9.7 28.4 3 15 A V S S+ 0 0 46 -2,-0.3 3,-0.1 1,-0.2 90,-0.1 -0.276 82.8 125.8 -97.2 49.2 4.0 7.0 29.1 4 16 A R S S- 0 0 33 1,-0.4 90,-2.3 -2,-0.4 91,-0.3 0.043 85.3 -89.6 -89.0 24.0 5.1 8.5 32.4 5 17 A G - 0 0 14 88,-0.2 -1,-0.4 89,-0.1 2,-0.3 -0.387 60.9 -43.0 98.0-176.1 4.3 5.1 33.8 6 18 A L - 0 0 149 85,-0.3 2,-0.9 -3,-0.1 89,-0.5 -0.697 34.9-144.6 -93.7 143.8 1.3 3.5 35.3 7 19 A A - 0 0 41 -2,-0.3 -1,-0.1 87,-0.2 85,-0.1 -0.583 34.8-164.6-102.6 66.1 -1.1 5.2 37.8 8 20 A G > - 0 0 31 -2,-0.9 4,-1.9 1,-0.1 5,-0.2 -0.092 24.4-128.0 -54.0 148.7 -1.8 2.0 39.7 9 21 A V H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.961 107.2 41.5 -61.9 -55.3 -4.7 1.8 42.1 10 22 A E H > S+ 0 0 158 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.880 116.6 48.7 -62.4 -41.5 -2.6 0.5 45.1 11 23 A N H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.814 106.7 52.6 -73.7 -31.9 0.3 2.9 44.6 12 24 A V H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.904 113.1 47.3 -68.7 -38.2 -1.6 6.1 44.1 13 25 A T H X S+ 0 0 79 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.939 113.2 48.5 -64.4 -47.0 -3.3 5.3 47.5 14 26 A E H X S+ 0 0 79 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.908 110.1 51.9 -59.8 -44.9 0.1 4.5 49.0 15 27 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.964 106.1 54.2 -56.3 -55.8 1.7 7.7 47.7 16 28 A K H X S+ 0 0 53 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.878 108.4 47.2 -48.2 -48.4 -1.1 9.9 49.1 17 29 A K H X S+ 0 0 105 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.892 112.8 49.2 -66.3 -36.1 -0.8 8.7 52.7 18 30 A N H X S+ 0 0 14 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.868 107.3 55.3 -69.4 -34.7 3.0 9.0 52.7 19 31 A F H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.951 112.5 43.8 -59.6 -46.9 2.6 12.5 51.3 20 32 A N H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.895 107.7 58.4 -65.5 -40.9 0.4 13.2 54.3 21 33 A R H X>S+ 0 0 99 -4,-2.8 4,-2.4 1,-0.2 5,-0.6 0.967 111.4 42.0 -52.5 -55.3 2.7 11.4 56.7 22 34 A H H X>S+ 0 0 13 -4,-2.4 5,-3.0 1,-0.2 4,-0.8 0.831 109.1 56.9 -61.9 -37.7 5.6 13.7 55.7 23 35 A L H <5S+ 0 0 4 -4,-2.0 6,-1.7 -5,-0.2 -1,-0.2 0.914 121.2 30.8 -60.3 -39.6 3.5 16.9 55.7 24 36 A H H X5S+ 0 0 111 -4,-2.2 4,-1.1 -3,-0.3 -2,-0.2 0.978 132.8 26.0 -79.5 -73.7 2.6 16.1 59.3 25 37 A F H <5S+ 0 0 148 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.775 131.2 33.6 -65.9 -33.9 5.6 14.3 60.8 26 38 A T T <> - 0 0 81 -2,-0.3 3,-3.4 -3,-0.1 4,-1.0 -0.985 35.2-104.1-130.0 141.7 -1.2 21.0 58.9 31 43 A R T 34 S+ 0 0 108 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.680 116.5 65.8 -33.7 -29.5 -3.2 21.4 55.7 32 44 A N T 34 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.594 113.7 25.4 -77.1 -11.0 -4.4 24.8 57.0 33 45 A V T <4 S+ 0 0 84 -3,-3.4 -1,-0.2 2,-0.1 -2,-0.2 0.363 90.5 120.9-130.2 -0.2 -1.0 26.5 57.0 34 46 A A < - 0 0 16 -4,-1.0 -11,-0.0 -3,-0.1 -5,-0.0 -0.468 44.7-160.0 -70.0 135.3 0.9 24.5 54.3 35 47 A T >> - 0 0 63 -2,-0.2 4,-2.2 1,-0.1 3,-1.0 -0.650 38.1 -93.7-109.9 168.2 2.1 26.5 51.4 36 48 A P H 3> S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.868 127.6 56.8 -49.5 -37.3 3.1 25.2 47.9 37 49 A R H 3> S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.883 106.2 49.0 -63.6 -37.4 6.7 25.0 49.2 38 50 A D H <> S+ 0 0 18 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.940 110.9 50.2 -65.9 -44.8 5.6 22.7 52.0 39 51 A Y H X S+ 0 0 23 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.874 106.6 55.5 -60.7 -38.2 3.7 20.6 49.5 40 52 A Y H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.912 110.4 45.8 -61.8 -40.9 6.8 20.4 47.3 41 53 A F H X S+ 0 0 27 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.890 107.4 55.0 -70.3 -40.1 8.8 19.0 50.2 42 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.954 114.1 43.5 -56.4 -47.3 6.2 16.5 51.3 43 55 A L H X S+ 0 0 7 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.954 110.8 53.4 -61.1 -53.5 6.3 15.1 47.8 44 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 -1,-0.2 0.913 112.2 45.9 -49.7 -47.7 10.1 15.3 47.5 45 57 A H H X S+ 0 0 35 -4,-2.8 4,-1.4 1,-0.2 -1,-0.3 0.855 111.4 51.9 -65.4 -36.4 10.4 13.3 50.7 46 58 A T H X S+ 0 0 4 -4,-2.0 4,-0.8 -5,-0.3 -2,-0.2 0.911 114.3 43.0 -65.9 -43.0 7.8 10.8 49.5 47 59 A V H >< S+ 0 0 2 -4,-3.2 3,-0.7 1,-0.2 4,-0.5 0.889 109.7 56.2 -69.6 -40.6 9.6 10.3 46.3 48 60 A R H >X S+ 0 0 55 -4,-2.8 3,-1.2 -5,-0.3 4,-0.7 0.835 98.3 65.0 -60.5 -31.3 13.0 10.1 48.0 49 61 A D H >X S+ 0 0 50 -4,-1.4 3,-0.9 1,-0.3 4,-0.8 0.896 93.8 60.1 -58.1 -42.7 11.6 7.3 50.1 50 62 A H H << S+ 0 0 46 -4,-0.8 4,-0.4 -3,-0.7 -1,-0.3 0.653 107.2 43.5 -65.4 -16.3 11.2 5.1 47.0 51 63 A L H <> S+ 0 0 0 -3,-1.2 4,-2.3 -4,-0.5 -1,-0.2 0.517 92.3 75.6-111.7 2.1 14.9 5.1 46.2 52 64 A V H S+ 0 0 32 -4,-0.4 4,-2.4 2,-0.2 172,-0.4 0.844 112.3 57.9 -69.6 -36.7 17.3 0.6 46.0 55 67 A W H X S+ 0 0 20 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.939 107.7 47.3 -59.1 -48.0 20.2 2.8 47.1 56 68 A I H X S+ 0 0 104 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.892 114.4 44.4 -63.2 -42.9 21.0 0.5 50.0 57 69 A R H X S+ 0 0 57 -4,-1.6 4,-3.1 -5,-0.2 -1,-0.2 0.850 110.9 55.3 -72.9 -32.4 20.9 -2.7 48.0 58 70 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.976 113.0 40.5 -61.7 -53.5 22.9 -1.2 45.2 59 71 A Q H X S+ 0 0 49 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.887 116.2 50.4 -62.4 -40.0 25.7 -0.2 47.4 60 72 A Q H >X S+ 0 0 95 -4,-2.1 4,-1.9 -5,-0.2 3,-0.6 0.933 108.4 55.3 -63.6 -43.6 25.5 -3.5 49.4 61 73 A H H 3X S+ 0 0 66 -4,-3.1 4,-2.5 1,-0.3 5,-0.5 0.941 104.6 50.3 -52.9 -55.6 25.6 -5.3 46.0 62 74 A Y H 3X S+ 0 0 11 -4,-2.3 4,-1.1 1,-0.3 -1,-0.3 0.758 108.7 55.6 -57.5 -24.9 28.8 -3.7 44.9 63 75 A Y H << S+ 0 0 118 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.884 112.6 40.4 -75.5 -38.3 30.2 -4.7 48.3 64 76 A E H < S+ 0 0 118 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.1 0.981 124.4 34.6 -71.8 -60.1 29.4 -8.4 47.8 65 77 A K H < S- 0 0 151 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.823 91.3-154.7 -66.5 -34.3 30.3 -8.8 44.1 66 78 A D < - 0 0 14 -4,-1.1 -3,-0.1 -5,-0.5 -4,-0.1 0.958 20.5-179.9 58.9 60.6 33.2 -6.3 44.4 67 79 A P - 0 0 46 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.276 41.9 -72.4 -85.1 174.8 33.5 -5.1 40.8 68 80 A K - 0 0 45 746,-0.1 73,-0.4 253,-0.1 2,-0.4 -0.480 56.0-135.2 -65.3 135.5 35.9 -2.6 39.4 69 81 A R E -a 321 0A 18 251,-2.8 253,-1.7 -2,-0.2 2,-0.5 -0.817 8.4-147.9-102.5 136.1 35.0 0.8 40.6 70 82 A I E -ab 322 142A 2 71,-2.4 73,-2.8 -2,-0.4 2,-0.6 -0.877 9.7-165.0-103.1 123.0 34.8 4.0 38.5 71 83 A Y E -ab 323 143A 3 251,-3.5 253,-2.7 -2,-0.5 2,-1.0 -0.908 1.7-164.6-113.4 110.1 35.6 7.3 40.2 72 84 A Y E -ab 324 144A 1 71,-2.4 73,-2.4 -2,-0.6 2,-0.5 -0.779 9.1-167.1 -96.0 98.0 34.6 10.4 38.4 73 85 A L E +ab 325 145A 0 251,-1.7 253,-2.0 -2,-1.0 2,-0.3 -0.734 20.7 150.6 -88.0 126.0 36.5 13.4 39.9 74 86 A S - 0 0 1 71,-2.0 73,-0.2 -2,-0.5 253,-0.1 -0.990 47.7-142.3-153.2 147.3 35.2 16.8 38.9 75 87 A L S S+ 0 0 1 251,-0.4 2,-0.4 -2,-0.3 72,-0.1 0.487 91.6 57.0 -87.9 -1.2 35.1 20.2 40.5 76 88 A E + 0 0 10 48,-0.1 2,-0.3 250,-0.1 44,-0.2 -0.989 46.9 167.4-138.2 138.4 31.7 20.6 38.9 77 89 A F E -J 119 0B 3 42,-2.8 2,-1.6 -2,-0.4 42,-0.7 -0.817 16.4-164.3-145.3 95.5 28.4 18.8 38.8 78 90 A Y E +J 118 0B 15 47,-1.6 40,-0.2 -2,-0.3 51,-0.1 -0.623 24.4 160.9 -84.1 81.3 25.7 20.9 37.2 79 91 A M E - 0 0 32 -2,-1.6 -1,-0.2 38,-0.8 39,-0.2 0.832 18.4-169.3 -75.0 -38.0 22.7 18.8 38.5 80 92 A G E -J 117 0B 1 37,-1.5 37,-0.5 2,-0.0 -1,-0.1 -0.367 54.5 -16.3 74.9-163.8 19.6 21.1 38.2 81 93 A R - 0 0 28 35,-0.2 4,-0.1 1,-0.1 35,-0.1 -0.376 56.4-168.2 -71.3 156.3 16.3 20.0 39.8 82 94 A T > + 0 0 29 3,-0.1 4,-1.4 2,-0.1 5,-0.1 0.451 61.8 85.4-127.4 1.0 16.0 16.4 40.8 83 95 A L H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.1 3,-0.2 0.989 97.8 35.9 -65.5 -61.8 12.4 15.7 41.7 84 96 A Q H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.911 114.5 56.4 -57.5 -49.4 11.0 15.0 38.2 85 97 A N H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 108.1 49.7 -53.1 -38.5 14.1 13.2 37.0 86 98 A T H X S+ 0 0 5 -4,-1.4 4,-1.0 -3,-0.2 -1,-0.2 0.873 110.0 49.9 -69.3 -38.5 13.7 10.8 39.9 87 99 A M H <>S+ 0 0 0 -4,-1.7 5,-3.5 2,-0.2 6,-0.7 0.929 111.9 49.5 -64.6 -44.5 10.1 10.2 39.2 88 100 A V H ><5S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.921 111.4 46.5 -61.0 -47.1 11.0 9.5 35.5 89 101 A N H 3<5S+ 0 0 0 -4,-2.3 133,-2.2 1,-0.3 135,-0.3 0.672 118.3 43.7 -72.0 -15.7 13.8 7.0 36.3 90 102 A L T 3<5S- 0 0 16 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.313 111.2-119.4-109.1 5.4 11.6 5.3 38.8 91 103 A A T < 5S+ 0 0 34 -3,-1.1 -85,-0.3 -4,-0.3 -3,-0.2 0.897 78.4 123.2 56.4 44.3 8.5 5.3 36.6 92 104 A L >< + 0 0 15 -5,-3.5 4,-2.7 -8,-0.2 5,-0.3 0.476 33.6 98.7-110.7 -9.1 6.7 7.3 39.2 93 105 A E H > S+ 0 0 1 -6,-0.7 4,-2.1 1,-0.2 -88,-0.2 0.867 86.7 39.8 -51.0 -49.7 5.6 10.3 37.2 94 106 A N H > S+ 0 0 6 -90,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.912 115.8 50.6 -70.8 -42.0 2.0 9.4 36.4 95 107 A A H > S+ 0 0 3 -89,-0.5 4,-3.1 -91,-0.3 5,-0.2 0.927 114.3 44.9 -60.2 -45.4 1.2 7.9 39.8 96 108 A C H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.892 112.7 51.9 -65.9 -40.3 2.6 11.1 41.5 97 109 A D H X S+ 0 0 40 -4,-2.1 4,-1.3 -5,-0.3 10,-0.2 0.918 114.4 43.1 -61.0 -44.8 0.7 13.2 39.0 98 110 A E H >X S+ 0 0 58 -4,-3.0 4,-2.6 2,-0.2 3,-0.6 0.988 115.1 47.9 -63.6 -60.3 -2.5 11.3 39.8 99 111 A A H 3X S+ 0 0 4 -4,-3.1 4,-1.6 1,-0.3 -2,-0.2 0.881 113.4 46.5 -47.8 -50.9 -2.0 11.2 43.6 100 112 A T H 3<>S+ 0 0 2 -4,-2.6 5,-3.8 1,-0.2 -1,-0.3 0.805 111.0 54.7 -64.5 -29.8 -1.2 14.9 43.9 101 113 A Y H X<5S+ 0 0 163 -4,-1.3 3,-1.9 -3,-0.6 -2,-0.2 0.946 108.0 47.6 -67.2 -48.3 -4.2 15.6 41.7 102 114 A Q H 3<5S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.787 107.8 56.0 -62.7 -28.9 -6.5 13.7 44.0 103 115 A L T 3<5S- 0 0 26 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.434 125.0-110.4 -81.7 -0.4 -4.9 15.6 46.9 104 116 A G T < 5S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.754 76.6 123.5 78.5 28.4 -6.0 18.7 44.9 105 117 A L < - 0 0 27 -5,-3.8 2,-0.9 -6,-0.1 -1,-0.2 -0.907 61.8-125.7-124.5 151.1 -2.6 19.9 43.9 106 118 A D >> - 0 0 90 -2,-0.3 4,-1.6 1,-0.2 3,-0.6 -0.817 16.3-159.0 -95.1 106.3 -0.9 20.7 40.6 107 119 A M H 3> S+ 0 0 2 -2,-0.9 4,-2.3 1,-0.3 3,-0.3 0.877 91.4 55.5 -50.0 -44.3 2.3 18.7 40.4 108 120 A E H 3> S+ 0 0 94 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.890 105.1 52.0 -58.3 -41.5 3.8 21.0 37.8 109 121 A E H <4 S+ 0 0 116 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.4 48.2 -63.4 -33.8 3.3 24.0 40.0 110 122 A L H >< S+ 0 0 0 -4,-1.6 3,-1.5 -3,-0.3 4,-0.5 0.846 104.2 59.1 -74.9 -36.3 5.1 22.2 42.8 111 123 A E H >< S+ 0 0 17 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.822 96.6 63.1 -62.5 -31.7 8.0 21.1 40.6 112 124 A E T 3< S+ 0 0 71 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.631 92.5 65.8 -68.5 -14.8 8.7 24.8 39.8 113 125 A I T < S+ 0 0 33 -3,-1.5 -1,-0.2 -4,-0.2 2,-0.2 0.745 76.1 103.1 -81.4 -22.5 9.5 25.4 43.5 114 126 A E S < S- 0 0 9 -3,-1.1 -33,-0.1 -4,-0.5 2,-0.1 -0.418 71.8-130.0 -67.1 127.9 12.6 23.2 43.5 115 127 A E - 0 0 63 -2,-0.2 2,-0.2 55,-0.2 -1,-0.1 -0.422 26.2-107.3 -74.3 150.2 15.8 25.1 43.4 116 128 A D - 0 0 13 -35,-0.1 2,-1.7 -2,-0.1 -35,-0.2 -0.575 17.6-129.4 -79.4 140.4 18.4 24.2 40.9 117 129 A A E +J 80 0B 11 -37,-0.5 -37,-1.5 -2,-0.2 2,-1.3 -0.662 35.5 178.4 -88.1 82.9 21.6 22.4 42.0 118 130 A G E +J 78 0B 3 -2,-1.7 35,-2.5 -39,-0.2 2,-1.0 -0.289 25.1 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-98,-0.3 -1,-0.3 0.621 84.7 106.1 -96.9 -15.2 41.8 28.2 30.0 372 384 A L S << S- 0 0 14 -3,-1.3 2,-0.6 -4,-0.5 -98,-0.1 -0.434 73.4-124.5 -69.4 130.3 45.0 26.1 30.6 373 385 A E + 0 0 4 -2,-0.2 56,-1.5 -100,-0.0 57,-0.5 -0.673 37.2 165.0 -82.4 115.7 46.0 25.6 34.3 374 386 A R E -N 428 0F 70 -2,-0.6 54,-0.2 54,-0.2 -98,-0.1 -0.860 21.0-157.6-130.8 95.2 49.5 26.7 35.0 375 387 A W E -N 427 0F 0 52,-1.5 52,-1.6 -2,-0.4 5,-0.1 -0.596 21.4-115.5 -82.5 126.5 50.1 27.1 38.7 376 388 A P E >> -N 426 0F 13 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.311 20.8-132.7 -56.7 133.8 52.9 29.3 40.0 377 389 A V H 3> S+ 0 0 8 48,-2.3 4,-3.3 1,-0.2 5,-0.2 0.881 103.0 63.1 -58.3 -40.2 55.6 27.2 41.7 378 390 A H H 3> S+ 0 0 111 47,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.807 103.6 51.6 -57.5 -26.7 55.8 29.5 44.8 379 391 A L H <> S+ 0 0 22 -3,-1.1 4,-2.7 2,-0.2 5,-0.4 0.962 113.4 40.3 -73.9 -51.2 52.1 28.7 45.4 380 392 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 8,-0.3 0.882 112.2 59.9 -61.4 -38.7 52.6 24.9 45.3 381 393 A E H < S+ 0 0 109 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.890 114.0 34.2 -55.5 -45.7 55.8 25.4 47.2 382 394 A T H < S+ 0 0 77 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.916 127.9 34.5 -77.8 -48.3 54.0 27.0 50.2 383 395 A L H < S+ 0 0 0 -4,-2.7 -192,-2.1 1,-0.2 -3,-0.2 0.877 133.9 18.0 -79.1 -42.6 50.7 25.1 50.2 384 396 A L X + 0 0 0 -4,-2.3 4,-1.6 -5,-0.4 3,-0.2 -0.528 66.9 165.1-134.2 69.7 51.8 21.6 49.1 385 397 A P H > S+ 0 0 19 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.829 77.5 47.9 -52.5 -44.5 55.6 21.2 49.5 386 398 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.877 108.6 54.6 -69.3 -36.2 55.7 17.4 49.2 387 399 A H H > S+ 0 0 0 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 105.2 54.2 -63.8 -35.2 53.6 17.4 46.1 388 400 A L H X S+ 0 0 11 -4,-1.6 4,-2.5 -8,-0.3 -1,-0.2 0.910 107.5 50.1 -64.9 -42.3 56.0 19.9 44.4 389 401 A Q H X S+ 0 0 64 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.855 111.6 49.0 -63.3 -37.4 58.9 17.5 45.2 390 402 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 110.0 50.4 -70.1 -42.0 57.0 14.7 43.7 391 403 A I H X S+ 0 0 0 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1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.955 93.2 -5.5 140.3-157.6 59.9 32.5 32.6 423 435 A A S S- 0 0 115 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.897 139.6 -0.9 -33.1 -67.4 58.6 35.5 34.6 424 436 A V S S- 0 0 55 -3,-0.1 2,-0.2 -4,-0.0 -1,-0.2 -0.953 88.7-109.1-126.9 144.3 57.6 33.1 37.3 425 437 A K - 0 0 79 -2,-0.4 -48,-2.3 -3,-0.1 -47,-0.4 -0.510 42.1-175.2 -71.5 144.4 58.0 29.3 37.1 426 438 A R E -NO 376 420F 85 -6,-1.8 -6,-2.4 -50,-0.3 2,-0.5 -0.877 25.5-125.2-135.5 166.1 54.8 27.5 36.7 427 439 A I E -NO 375 419F 0 -52,-1.6 -52,-1.5 -2,-0.3 2,-1.2 -0.979 20.3-138.7-116.0 126.2 53.6 23.9 36.6 428 440 A N E >> -N 374 0F 8 -10,-3.1 4,-1.7 -2,-0.5 3,-0.9 -0.718 14.4-167.0 -86.8 93.4 51.7 22.8 33.5 429 441 A M H 3> S+ 0 0 1 -56,-1.5 4,-2.2 -2,-1.2 -1,-0.2 0.836 84.8 59.1 -49.5 -39.3 48.9 20.7 35.0 430 442 A A H 3> S+ 0 0 0 -57,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.886 104.4 49.3 -59.8 -40.8 48.0 19.4 31.5 431 443 A H H <> S+ 0 0 17 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.903 109.5 54.2 -65.5 -37.1 51.5 18.0 30.9 432 444 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.908 108.0 48.4 -60.0 -47.2 51.2 16.3 34.4 433 445 A C H < S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.875 110.8 50.2 -64.1 -41.2 48.0 14.6 33.5 434 446 A I H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.962 112.6 46.8 -63.0 -50.6 49.3 13.3 30.2 435 447 A A H 3< S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.851 117.7 41.6 -59.7 -38.8 52.4 11.8 31.8 436 448 A G T 3< S+ 0 0 0 -4,-2.2 -76,-0.3 -5,-0.2 2,-0.3 0.272 104.2 75.3 -97.9 12.7 50.6 10.2 34.7 437 449 A S < - 0 0 0 -3,-1.1 -76,-0.2 -4,-0.5 -80,-0.1 -0.884 65.8-144.1-121.4 153.9 47.6 8.8 32.8 438 450 A H S S+ 0 0 59 -78,-2.3 2,-0.3 -81,-0.7 -77,-0.2 0.449 89.4 31.9 -93.9 -0.3 47.2 5.8 30.5 439 451 A A - 0 0 0 -79,-0.4 -77,-2.5 -82,-0.1 2,-0.4 -0.966 57.7-171.7-158.3 138.2 44.7 7.6 28.3 440 452 A V E -hi 362 467A 1 26,-2.3 28,-2.6 -2,-0.3 2,-0.3 -0.998 19.6-172.2-129.8 131.0 44.1 11.1 27.2 441 453 A N E -hi 363 468A 1 -79,-2.0 -77,-2.4 -2,-0.4 28,-0.3 -0.946 18.7-142.4-133.6 153.3 40.9 11.9 25.3 442 454 A G E - i 0 469A 0 26,-1.3 28,-1.6 -2,-0.3 -77,-0.1 -0.504 22.9-127.0 -98.0 174.2 39.3 14.8 23.4 443 455 A V S S+ 0 0 1 -2,-0.2 29,-2.6 1,-0.2 2,-0.3 0.365 88.0 24.1-107.8 4.4 35.6 15.4 23.5 444 456 A A S > S- 0 0 0 27,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.954 84.6-107.7-160.5 151.0 34.8 15.6 19.8 445 457 A R H > S+ 0 0 91 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.911 119.0 43.2 -50.4 -51.4 36.5 14.0 16.8 446 458 A I H > S+ 0 0 34 236,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.910 114.3 50.9 -63.8 -42.1 37.9 17.3 15.5 447 459 A H H > S+ 0 0 4 214,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.918 109.6 50.9 -60.9 -44.4 39.0 18.5 19.0 448 460 A S H X S+ 0 0 5 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.899 110.6 48.9 -61.2 -41.1 40.8 15.2 19.5 449 461 A E H X S+ 0 0 66 -4,-2.1 4,-2.4 -5,-0.2 5,-0.3 0.909 106.8 55.8 -66.3 -40.9 42.6 15.6 16.2 450 462 A I H X S+ 0 0 29 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.886 104.0 54.9 -58.1 -39.6 43.6 19.1 17.1 451 463 A L H <>S+ 0 0 2 -4,-1.9 5,-2.6 1,-0.2 -1,-0.2 0.918 112.3 42.6 -58.7 -46.1 45.2 17.9 20.3 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111.0 46.2 -65.8 -28.6 30.2 54.1 17.0 735 747 A S T 3<5S- 0 0 84 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.448 115.6-105.6 -98.3 -0.6 27.8 57.0 16.9 736 748 A G T X 5S+ 0 0 6 -3,-0.8 3,-0.5 -4,-0.5 -3,-0.2 0.690 70.1 143.0 88.9 17.0 25.5 56.0 19.6 737 749 A F T 3 S+ 0 0 91 1,-0.1 3,-1.8 -6,-0.1 -1,-0.3 -0.732 71.4 178.1-125.6 81.9 26.1 57.5 26.3 743 755 A P T 3 S+ 0 0 67 0, 0.0 3,-0.3 0, 0.0 -7,-0.2 0.739 82.1 45.7 -53.0 -32.3 27.3 57.7 22.6 744 756 A D T > S+ 0 0 98 1,-0.2 3,-2.0 -9,-0.1 4,-0.3 0.332 78.0 113.8 -98.6 10.5 30.7 56.2 23.3 745 757 A L T < S+ 0 0 28 -3,-1.8 3,-0.4 -6,-0.3 -1,-0.2 0.805 80.4 41.3 -48.5 -39.3 29.3 53.3 25.4 746 758 A F T 3> S+ 0 0 1 -13,-0.4 4,-1.9 -3,-0.3 -1,-0.3 0.002 76.0 115.0-104.6 30.4 30.3 50.6 22.9 747 759 A K H <> S+ 0 0 121 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.809 74.8 56.2 -67.7 -30.9 33.8 51.9 21.9 748 760 A D H > S+ 0 0 57 -3,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.903 107.9 47.7 -67.7 -40.3 35.5 48.9 23.5 749 761 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.932 115.8 43.4 -66.0 -46.8 33.5 46.5 21.3 750 762 A V H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.943 114.4 50.0 -63.9 -49.3 34.1 48.4 18.1 751 763 A N H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 5,-0.5 0.931 113.9 45.9 -53.9 -49.4 37.8 48.9 18.9 752 764 A M H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.937 111.4 51.6 -60.2 -49.1 38.1 45.2 19.7 753 765 A L H < S+ 0 0 3 -4,-2.8 4,-0.3 1,-0.2 9,-0.2 0.864 117.6 38.7 -56.8 -41.4 36.2 44.2 16.5 754 766 A M H < S+ 0 0 28 -4,-2.5 -38,-0.5 -5,-0.2 -37,-0.4 0.807 133.4 17.4 -80.7 -32.4 38.4 46.4 14.3 755 767 A H H < S+ 0 0 125 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.725 130.3 24.2-117.7 -26.4 41.8 45.8 16.0 756 768 A H < + 0 0 115 -4,-2.2 2,-1.1 -5,-0.5 -3,-0.1 -0.237 63.8 150.4-138.8 52.7 42.0 42.8 18.2 757 769 A D > - 0 0 11 -4,-0.3 3,-1.0 1,-0.2 -4,-0.1 -0.746 18.0-178.2 -87.4 103.1 39.4 40.3 17.2 758 770 A R T 3 S+ 0 0 121 -2,-1.1 -1,-0.2 1,-0.2 -5,-0.0 0.704 84.4 47.2 -71.0 -19.4 40.9 36.9 18.2 759 771 A F T 3 S- 0 0 9 -3,-0.1 -1,-0.2 -199,-0.0 -102,-0.1 0.080 100.4-131.4-114.2 23.5 37.9 35.2 16.8 760 772 A K <> + 0 0 8 -3,-1.0 4,-0.6 1,-0.1 -2,-0.1 0.780 33.5 174.7 25.2 69.4 37.5 37.0 13.4 761 773 A V T >4 S+ 0 0 4 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.920 77.0 53.5 -63.2 -46.0 33.8 37.8 13.7 762 774 A F G >> S+ 0 0 0 1,-0.2 3,-1.1 -9,-0.2 4,-0.6 0.835 96.7 67.2 -58.5 -37.5 33.9 39.9 10.4 763 775 A A G 34 S+ 0 0 20 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.780 109.3 35.7 -58.0 -27.6 35.5 37.0 8.5 764 776 A D G S+ 0 0 2 -3,-1.1 4,-2.2 -4,-0.5 3,-0.3 0.943 83.2 46.1 -57.1 -57.6 29.7 37.7 8.5 766 778 A E H X S+ 0 0 97 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.937 115.3 44.4 -52.9 -55.1 28.9 37.5 4.9 767 779 A E H > S+ 0 0 99 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.755 111.9 57.4 -63.1 -24.6 28.5 33.7 4.7 768 780 A Y H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.938 109.0 40.0 -73.2 -51.2 26.5 33.9 8.0 769 781 A V H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.894 115.0 54.2 -67.2 -37.0 23.7 36.3 6.9 770 782 A K H >X S+ 0 0 91 -4,-2.1 4,-1.3 -5,-0.3 3,-0.6 0.967 111.8 44.9 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15.8 10.5 13.8 795 807 A T T < S+ 0 0 6 -3,-1.0 3,-0.5 -4,-0.3 -1,-0.3 0.321 86.7 87.6-114.6 11.0 19.5 10.8 13.4 796 808 A S X + 0 0 3 -3,-1.5 3,-2.9 -4,-0.4 -1,-0.1 0.568 54.2 106.2 -86.3 -7.2 20.6 12.2 16.8 797 809 A G G > + 0 0 6 -4,-0.3 3,-1.3 -294,-0.3 -293,-0.2 0.809 68.2 64.8 -39.5 -45.2 21.0 8.8 18.4 798 810 A K G 3 S+ 0 0 44 -3,-0.5 -1,-0.3 1,-0.3 6,-0.1 0.727 91.7 68.3 -55.3 -21.6 24.8 8.8 18.4 799 811 A F G < + 0 0 5 -3,-2.9 -325,-2.4 -326,-0.1 2,-0.4 0.087 68.2 116.3 -92.7 26.0 24.7 11.8 20.8 800 812 A S B X> -p 474 0G 5 -3,-1.3 3,-1.4 -327,-0.3 4,-1.3 -0.750 69.2-131.0 -92.7 137.3 23.4 10.1 23.9 801 813 A S H 3> S+ 0 0 0 -327,-2.6 4,-2.9 -2,-0.4 5,-0.2 0.652 105.7 71.5 -61.7 -12.7 25.8 10.0 26.9 802 814 A D H 3> S+ 0 0 12 -328,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.899 99.4 46.7 -69.3 -37.2 24.9 6.2 27.1 803 815 A R H <> S+ 0 0 43 -3,-1.4 4,-1.7 -6,-0.2 -2,-0.2 0.953 113.6 47.5 -66.1 -49.6 27.0 5.8 23.9 804 816 A T H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 3,-0.4 0.946 113.6 46.9 -56.6 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