==== 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 ISOMERASE 31-JAN-03 1NUH . COMPND 2 MOLECULE: GLUCOSE PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.DAVIES . 555 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 35 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 1 3 3 1 1 2 0 0 3 2 0 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 0 1 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 . 5 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 A > 0 0 23 0, 0.0 4,-1.2 0, 0.0 504,-0.1 0.000 360.0 360.0 360.0 145.8 84.4 60.1 8.9 2 2 A A H > + 0 0 29 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.879 360.0 59.2 -62.3 -44.1 86.3 57.7 6.7 3 3 A L H >4 S+ 0 0 0 501,-0.2 3,-1.8 1,-0.2 6,-0.2 0.957 106.3 45.5 -54.3 -56.2 84.4 58.5 3.5 4 4 A T H 34 S+ 0 0 34 1,-0.3 -1,-0.2 5,-0.1 -2,-0.2 0.804 109.2 56.9 -61.4 -27.3 85.4 62.1 3.4 5 5 A R H 3< S+ 0 0 204 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.672 84.5 112.3 -76.3 -14.0 89.0 61.3 4.2 6 6 A D S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.853 101.2 49.5 -61.4 -39.4 91.3 60.1 -1.7 8 8 A Q H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 62,-0.2 0.843 109.8 51.5 -69.0 -35.5 89.1 58.6 -4.3 9 9 A F H > S+ 0 0 2 -6,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.933 111.6 46.5 -65.7 -46.5 86.1 60.2 -2.7 10 10 A Q H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.908 112.3 50.9 -61.5 -43.0 87.8 63.6 -2.8 11 11 A K H X S+ 0 0 109 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.893 112.0 48.3 -60.9 -40.1 88.8 62.9 -6.5 12 12 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.927 112.4 48.1 -65.6 -46.5 85.2 62.0 -7.2 13 13 A Q H X S+ 0 0 78 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.834 109.4 51.4 -65.4 -36.1 83.9 65.2 -5.5 14 14 A Q H X S+ 0 0 70 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.899 109.5 51.0 -70.2 -37.3 86.3 67.6 -7.3 15 15 A W H X S+ 0 0 39 -4,-1.7 4,-3.1 -5,-0.2 5,-0.4 0.948 108.5 51.3 -63.3 -48.9 85.4 66.2 -10.6 16 16 A Y H X S+ 0 0 33 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.961 109.5 50.1 -48.5 -57.0 81.7 66.6 -9.8 17 17 A R H < S+ 0 0 177 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.823 116.9 44.0 -52.3 -31.4 82.4 70.3 -8.9 18 18 A E H < S+ 0 0 110 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.843 128.1 18.6 -86.9 -32.3 84.3 70.6 -12.2 19 19 A H H >< S+ 0 0 40 -4,-3.1 3,-4.4 -3,-0.2 4,-0.5 0.526 77.6 110.2-120.7 -6.5 81.9 68.8 -14.7 20 20 A R G >< S+ 0 0 125 -4,-2.7 3,-1.7 -5,-0.4 -3,-0.1 0.843 84.2 60.0 -42.2 -36.0 78.4 68.5 -13.3 21 21 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.688 99.2 55.6 -65.2 -21.4 77.5 71.1 -16.0 22 22 A E G < S+ 0 0 121 -3,-4.4 2,-1.2 1,-0.1 -1,-0.3 0.328 81.9 100.8 -92.8 3.8 78.7 68.8 -18.7 23 23 A L < + 0 0 6 -3,-1.7 2,-0.4 -4,-0.5 -1,-0.1 -0.734 41.7 145.4 -96.4 89.4 76.4 66.0 -17.6 24 24 A N > - 0 0 35 -2,-1.2 4,-3.0 1,-0.1 5,-0.2 -0.974 40.0-150.2-128.9 118.6 73.4 66.1 -20.0 25 25 A L H > S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.884 95.9 53.8 -57.4 -47.0 71.7 62.9 -21.0 26 26 A R H > S+ 0 0 100 410,-0.4 4,-2.6 1,-0.2 5,-0.2 0.974 115.6 40.6 -50.4 -57.4 70.6 64.0 -24.4 27 27 A R H > S+ 0 0 157 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.864 112.0 55.6 -61.1 -39.4 74.2 65.0 -25.3 28 28 A L H < S+ 0 0 31 -4,-3.0 4,-0.3 2,-0.2 -1,-0.2 0.905 111.0 46.6 -62.5 -37.4 75.7 62.0 -23.7 29 29 A F H >< S+ 0 0 53 -4,-2.8 3,-1.4 -3,-0.2 6,-0.2 0.966 112.9 44.6 -73.5 -49.4 73.5 59.8 -25.8 30 30 A D H 3< S+ 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 3,-0.2 0.798 111.7 55.5 -65.7 -18.7 74.1 61.4 -29.2 31 31 A A T 3< S+ 0 0 79 -4,-1.8 2,-0.2 1,-0.2 -1,-0.2 0.423 114.5 35.4 -90.7 1.5 77.9 61.7 -28.6 32 32 A N X - 0 0 47 -3,-1.4 3,-1.4 -4,-0.3 -1,-0.2 -0.734 59.4-171.1-158.7 100.1 78.4 58.0 -27.9 33 33 A K T 3 S+ 0 0 183 1,-0.3 3,-0.4 -2,-0.2 4,-0.3 0.642 88.0 59.2 -72.9 -14.7 76.4 55.4 -29.7 34 34 A D T 3> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.196 71.6 114.4 -98.5 19.7 77.7 52.5 -27.6 35 35 A R H <> S+ 0 0 4 -3,-1.4 4,-1.4 -6,-0.2 -1,-0.2 0.858 77.6 44.0 -59.1 -41.4 76.3 54.2 -24.5 36 36 A F H 4 S+ 0 0 85 -3,-0.4 3,-0.2 2,-0.2 -1,-0.2 0.954 114.5 50.8 -68.9 -46.4 73.7 51.5 -23.8 37 37 A N H >4 S+ 0 0 93 -4,-0.3 3,-0.6 1,-0.2 -2,-0.2 0.874 117.1 39.6 -53.8 -42.3 76.3 48.8 -24.5 38 38 A H H 3< S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.661 118.7 45.1 -84.8 -24.1 78.9 50.3 -22.1 39 39 A F T 3< S+ 0 0 2 -4,-1.4 15,-1.6 -5,-0.3 2,-0.3 -0.164 102.0 78.3-116.9 38.1 76.5 51.4 -19.4 40 40 A S E < -A 53 0A 24 -3,-0.6 2,-0.4 13,-0.2 13,-0.2 -0.994 56.6-156.9-146.6 152.0 74.5 48.3 -19.1 41 41 A L E -A 52 0A 24 11,-2.3 11,-2.8 -2,-0.3 2,-0.4 -0.966 4.7-155.5-130.0 140.5 74.9 44.8 -17.6 42 42 A T E -A 51 0A 90 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.978 4.1-166.5-126.1 123.3 73.2 41.5 -18.4 43 43 A L E -A 50 0A 5 7,-2.6 7,-2.5 -2,-0.4 2,-0.7 -0.920 3.1-165.7-108.2 120.3 72.8 38.6 -15.9 44 44 A N E +A 49 0A 77 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.939 9.9 176.2-106.5 109.7 71.8 35.2 -17.3 45 45 A T - 0 0 2 3,-2.6 4,-0.1 -2,-0.7 -1,-0.1 0.545 48.0-118.2 -86.6 -9.8 70.8 33.2 -14.3 46 46 A N S S+ 0 0 127 2,-0.4 3,-0.1 -3,-0.1 -2,-0.1 0.301 112.9 66.9 79.2 -6.2 69.7 30.2 -16.4 47 47 A H S S- 0 0 121 1,-0.6 438,-0.2 251,-0.0 435,-0.2 -0.013 124.1 -35.9-127.9 30.7 66.3 30.9 -15.0 48 48 A G - 0 0 10 431,-0.1 -3,-2.6 436,-0.1 -1,-0.6 -0.497 65.5-101.2 129.4 157.4 65.8 34.2 -16.7 49 49 A H E -A 44 0A 89 -5,-0.2 430,-1.6 -2,-0.2 2,-0.4 -0.808 22.4-152.0-109.4 152.7 67.9 37.1 -17.7 50 50 A I E -AB 43 478A 0 -7,-2.5 -7,-2.6 -2,-0.3 2,-0.7 -0.995 4.9-156.6-125.3 124.6 68.1 40.5 -15.8 51 51 A L E -AB 42 477A 46 426,-3.2 426,-2.0 -2,-0.4 2,-0.9 -0.908 5.7-170.8-101.3 113.5 69.0 43.6 -17.7 52 52 A V E -AB 41 476A 0 -11,-2.8 -11,-2.3 -2,-0.7 2,-0.8 -0.850 10.7-178.0-104.3 93.6 70.4 46.3 -15.5 53 53 A D E +AB 40 475A 16 422,-2.6 422,-2.4 -2,-0.9 -13,-0.2 -0.832 16.9 162.1 -94.7 108.3 70.5 49.3 -17.8 54 54 A Y > + 0 0 16 -15,-1.6 3,-0.7 -2,-0.8 -14,-0.2 0.044 39.7 113.7-113.1 28.2 72.0 52.2 -16.0 55 55 A S T 3 + 0 0 3 1,-0.3 2,-0.7 -16,-0.1 4,-0.2 0.834 63.4 67.2 -71.2 -32.5 72.8 54.2 -19.2 56 56 A K T 3 S+ 0 0 28 417,-0.3 417,-1.3 -3,-0.2 2,-0.3 0.004 82.4 117.0 -78.3 38.8 70.3 57.0 -18.5 57 57 A N S < S- 0 0 1 -2,-0.7 2,-2.6 -3,-0.7 414,-0.0 -0.793 80.5-112.3-105.4 153.1 72.5 58.0 -15.6 58 58 A L S S+ 0 0 7 -2,-0.3 2,-0.3 -35,-0.1 -2,-0.1 -0.422 83.2 106.0 -73.6 66.2 74.4 61.3 -15.2 59 59 A V - 0 0 0 -2,-2.6 2,-0.2 -4,-0.2 -2,-0.1 -0.990 51.0-158.7-147.1 152.1 77.7 59.5 -15.5 60 60 A T >> - 0 0 30 -2,-0.3 4,-2.0 1,-0.0 3,-0.8 -0.722 45.9 -91.2-120.7 176.2 80.6 59.0 -17.9 61 61 A E H 3> S+ 0 0 70 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.897 125.7 55.4 -54.0 -42.1 83.2 56.3 -18.2 62 62 A D H 3> S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.793 107.5 48.4 -64.2 -29.0 85.5 58.3 -16.0 63 63 A V H <> S+ 0 0 0 -3,-0.8 4,-4.1 2,-0.2 5,-0.2 0.953 111.1 47.7 -74.8 -50.4 82.9 58.6 -13.1 64 64 A M H X S+ 0 0 10 -4,-2.0 4,-3.9 2,-0.2 5,-0.3 0.954 112.6 51.5 -51.9 -51.0 82.1 54.9 -13.1 65 65 A R H X S+ 0 0 160 -4,-2.4 4,-3.4 -5,-0.3 -1,-0.2 0.941 113.3 43.9 -50.4 -52.2 85.8 54.2 -13.1 66 66 A M H X S+ 0 0 14 -4,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.891 112.7 52.8 -62.8 -38.8 86.2 56.6 -10.2 67 67 A L H X S+ 0 0 0 -4,-4.1 4,-1.9 2,-0.2 -2,-0.2 0.920 111.5 45.5 -62.9 -43.2 83.1 55.1 -8.5 68 68 A V H X S+ 0 0 10 -4,-3.9 4,-2.0 2,-0.2 3,-0.4 0.965 110.5 53.3 -65.4 -48.1 84.6 51.7 -8.9 69 69 A D H X S+ 0 0 58 -4,-3.4 4,-2.4 1,-0.3 -1,-0.2 0.871 107.5 53.0 -52.5 -40.2 88.0 52.9 -7.6 70 70 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.878 104.5 55.1 -63.9 -38.6 86.1 54.3 -4.6 71 71 A A H <>S+ 0 0 0 -4,-1.9 5,-2.0 -3,-0.4 4,-0.3 0.944 111.0 44.6 -59.9 -43.5 84.6 50.9 -4.0 72 72 A K H ><5S+ 0 0 96 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.964 111.9 51.2 -65.1 -51.9 88.1 49.2 -3.9 73 73 A S H 3<5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.9 53.4 -52.3 -35.5 89.6 51.9 -1.7 74 74 A R T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.511 115.1-118.1 -84.1 -2.1 86.8 51.6 0.8 75 75 A G T <>5 + 0 0 26 -3,-2.2 4,-2.1 -4,-0.3 5,-0.2 0.851 57.5 154.8 74.2 36.8 87.4 47.8 1.0 76 76 A V H >< + 0 0 0 -5,-2.0 4,-2.4 1,-0.2 5,-0.2 0.898 69.6 56.4 -63.0 -39.4 84.1 46.6 -0.3 77 77 A E H > S+ 0 0 76 -6,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 111.6 38.6 -57.8 -56.0 85.6 43.3 -1.5 78 78 A A H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 113.7 55.1 -65.5 -38.2 87.0 42.2 1.9 79 79 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.931 107.8 51.3 -62.7 -40.0 84.0 43.5 3.9 80 80 A R H X S+ 0 0 14 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.945 108.5 50.4 -59.1 -47.7 81.9 41.4 1.6 81 81 A E H X S+ 0 0 59 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.832 105.0 58.6 -61.0 -33.6 84.0 38.3 2.3 82 82 A R H X>S+ 0 0 81 -4,-2.2 5,-2.2 2,-0.2 4,-0.6 0.951 107.6 46.2 -60.1 -47.8 83.7 39.0 6.0 83 83 A M H ><5S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 14,-0.3 0.934 112.8 48.5 -60.0 -49.7 79.9 38.7 5.8 84 84 A F H 3<5S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 110.1 53.2 -64.0 -28.3 80.0 35.6 3.7 85 85 A N H 3<5S- 0 0 79 -4,-1.9 26,-0.4 -5,-0.2 -1,-0.3 0.552 114.8-115.5 -83.5 -6.0 82.5 34.0 6.1 86 86 A G T <<5 + 0 0 6 -3,-1.3 27,-0.3 -4,-0.6 -3,-0.2 0.762 56.1 159.2 78.8 25.2 80.3 34.7 9.1 87 87 A E < - 0 0 100 -5,-2.2 2,-2.2 -6,-0.2 10,-0.6 -0.458 58.0 -98.7 -73.0 156.2 82.5 37.1 11.0 88 88 A K + 0 0 93 1,-0.2 8,-0.3 8,-0.2 6,-0.1 -0.461 60.2 156.6 -78.9 74.9 80.7 39.3 13.5 89 89 A I + 0 0 28 -2,-2.2 2,-1.8 1,-0.2 -1,-0.2 0.553 56.0 83.1 -78.7 -9.2 80.4 42.3 11.2 90 90 A N B >> +F 95 0B 5 5,-2.7 5,-2.2 1,-0.2 4,-2.2 -0.655 67.0 175.9 -87.6 74.4 77.3 43.6 13.1 91 91 A Y T 45 + 0 0 78 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.741 66.1 55.2 -58.7 -28.4 79.9 45.0 15.5 92 92 A T T 45S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.885 119.7 29.9 -79.7 -34.6 77.4 46.8 17.7 93 93 A E T 45S- 0 0 42 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.693 107.1-125.8 -90.3 -12.3 75.3 43.8 18.5 94 94 A G T <5 + 0 0 37 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.868 64.7 136.7 71.7 39.8 78.4 41.6 18.1 95 95 A R B < -F 90 0B 68 -5,-2.2 -5,-2.7 -7,-0.1 -1,-0.3 -0.837 55.2-122.1-120.8 153.6 76.5 39.4 15.6 96 96 A A - 0 0 3 -2,-0.3 2,-0.5 -8,-0.3 -8,-0.2 -0.353 21.8-132.9 -80.4 172.7 77.3 37.8 12.3 97 97 A V + 0 0 5 -10,-0.6 3,-0.3 -14,-0.3 -11,-0.2 -0.829 40.6 152.5-131.9 94.0 75.2 38.7 9.2 98 98 A L >> + 0 0 0 170,-1.4 4,-0.9 -2,-0.5 3,-0.8 -0.276 20.6 129.3-125.4 51.5 74.3 35.6 7.5 99 99 A H H 3> S+ 0 0 3 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.825 79.9 64.3 -67.1 -24.9 71.0 36.0 5.6 100 100 A V H 34 S+ 0 0 3 -3,-0.3 -1,-0.2 1,-0.2 3,-0.2 0.705 94.9 57.8 -70.6 -19.1 73.1 34.5 2.7 101 101 A A H X4 S+ 0 0 0 -3,-0.8 3,-2.3 1,-0.2 -1,-0.2 0.874 92.6 67.2 -77.1 -33.7 73.4 31.3 4.7 102 102 A L H 3< S+ 0 0 4 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.804 112.7 33.4 -53.4 -30.3 69.6 30.9 4.9 103 103 A R T 3< S+ 0 0 0 -4,-0.6 2,-2.6 -3,-0.2 -1,-0.3 0.089 79.7 133.0-115.7 23.8 69.7 30.3 1.1 104 104 A N X + 0 0 10 -3,-2.3 3,-2.1 1,-0.2 193,-0.1 -0.379 21.9 167.6 -73.7 71.2 73.1 28.6 0.9 105 105 A R T 3 S+ 0 0 79 -2,-2.6 -1,-0.2 1,-0.3 192,-0.1 0.717 71.5 64.4 -57.0 -25.6 71.8 25.7 -1.3 106 106 A S T 3 S- 0 0 69 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.725 93.2-147.9 -71.7 -25.2 75.5 24.8 -2.0 107 107 A N < + 0 0 74 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.727 32.6 164.5 65.0 23.5 75.9 23.9 1.7 108 108 A T - 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e 0 410A 64 -71,-0.2 2,-1.8 -72,-0.2 -1,-0.2 -0.980 61.8-108.0-159.3 147.1 59.5 36.9 -15.8 481 481 A L + 0 0 3 -71,-0.7 -69,-0.0 -2,-0.3 3,-0.0 -0.510 58.1 150.4 -86.4 75.2 58.6 37.3 -12.2 482 482 A T > - 0 0 32 -2,-1.8 4,-3.2 -435,-0.2 5,-0.3 -0.508 64.6 -95.7 -92.4 169.0 58.9 33.7 -10.9 483 483 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.930 126.0 50.8 -50.5 -47.6 59.8 32.7 -7.4 484 484 A F H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.926 112.5 43.2 -56.1 -52.3 63.4 32.3 -8.6 485 485 A M H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.928 111.1 56.0 -64.4 -41.9 63.7 35.7 -10.2 486 486 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.942 106.1 51.2 -54.1 -49.3 62.0 37.3 -7.3 487 487 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.848 111.2 48.4 -56.7 -35.6 64.6 35.9 -5.0 488 488 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.2 0.898 110.0 50.1 -72.6 -41.0 67.4 37.2 -7.1 489 489 A L H X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.928 112.8 46.7 -65.3 -42.2 65.9 40.7 -7.4 490 490 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 3,-0.3 0.951 112.5 49.4 -65.1 -46.7 65.5 41.0 -3.7 491 491 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.789 104.3 62.0 -65.8 -23.0 68.9 39.7 -3.0 492 492 A M H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.954 108.3 40.3 -66.0 -44.0 70.3 42.2 -5.5 493 493 A Y H X S+ 0 0 3 -4,-1.6 4,-3.1 -3,-0.3 5,-0.2 0.868 107.3 62.4 -75.2 -34.5 69.1 45.1 -3.5 494 494 A E H X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.960 109.9 41.9 -51.7 -49.3 70.1 43.6 -0.2 495 495 A H H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.753 108.6 59.0 -71.3 -26.0 73.6 43.7 -1.5 496 496 A K H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.958 107.0 48.5 -62.8 -49.5 73.2 47.1 -3.0 497 497 A I H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.914 110.5 52.1 -53.9 -44.5 72.4 48.3 0.5 498 498 A F H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.886 107.9 49.1 -63.0 -44.1 75.5 46.5 1.9 499 499 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.974 113.1 47.2 -62.3 -50.8 77.9 48.1 -0.6 500 500 A Q H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.855 109.8 55.9 -58.4 -34.9 76.6 51.5 0.2 501 501 A G H <>S+ 0 0 0 -4,-2.1 5,-2.3 -5,-0.2 4,-0.3 0.901 109.2 44.2 -63.5 -45.4 76.8 50.7 3.9 502 502 A I H ><5S+ 0 0 33 -4,-2.2 3,-2.2 -3,-0.3 -2,-0.2 0.949 109.7 56.1 -64.7 -49.1 80.5 49.8 3.7 503 503 A I H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.875 111.3 43.8 -52.0 -38.6 81.2 52.8 1.6 504 504 A W T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -501,-0.2 0.521 109.1-128.4 -81.4 -6.7 79.7 55.1 4.3 505 505 A D T < 5 + 0 0 29 -3,-2.2 -140,-1.6 -4,-0.3 2,-0.2 0.843 63.9 131.6 60.1 31.9 81.5 53.1 6.9 506 506 A I B < -N 364 0G 8 -5,-2.3 2,-1.0 -142,-0.2 -1,-0.2 -0.661 68.0-100.8-107.1 170.7 78.2 52.5 8.9 507 507 A N > - 0 0 6 -144,-0.6 3,-0.9 -2,-0.2 -144,-0.1 -0.773 32.3-176.9 -91.4 97.0 76.6 49.5 10.4 508 508 A S T 3 S+ 0 0 3 -2,-1.0 -1,-0.1 1,-0.2 -148,-0.1 0.546 75.4 58.8 -65.4 -6.5 73.8 48.4 7.9 509 509 A F T 3 S+ 0 0 16 -420,-0.2 2,-0.2 -150,-0.1 -1,-0.2 0.379 89.4 65.9-119.2 6.5 72.7 45.6 10.3 510 510 A D < - 0 0 7 -3,-0.9 3,-0.0 -152,-0.3 -419,-0.0 -0.660 54.1-163.7-112.6 176.7 71.7 47.1 13.6 511 511 A Q >> + 0 0 23 -2,-0.2 4,-2.8 1,-0.0 3,-1.3 -0.279 17.5 165.9-162.1 65.9 68.8 49.4 14.2 512 512 A W H 3> S+ 0 0 130 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.686 79.2 62.3 -61.7 -19.8 68.9 51.2 17.6 513 513 A G H 3> S+ 0 0 64 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.822 111.7 37.4 -73.4 -32.6 66.2 53.6 16.5 514 514 A V H <> S+ 0 0 61 -3,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.842 114.4 55.1 -80.6 -42.7 63.8 50.6 16.2 515 515 A E H < S+ 0 0 53 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.896 111.2 46.4 -58.6 -38.8 65.3 49.0 19.2 516 516 A L H >X S+ 0 0 84 -4,-2.0 3,-2.2 1,-0.2 4,-1.6 0.881 104.1 59.8 -72.0 -40.2 64.6 52.2 21.1 517 517 A G H 3< S+ 0 0 41 -4,-1.2 4,-0.5 1,-0.3 -1,-0.2 0.767 97.3 63.6 -57.8 -23.2 61.0 52.5 19.7 518 518 A K T 3< S+ 0 0 96 -4,-1.2 -1,-0.3 -3,-0.3 -303,-0.2 0.380 112.1 33.6 -84.1 5.9 60.4 49.1 21.4 519 519 A Q T X4 S+ 0 0 116 -3,-2.2 3,-1.2 2,-0.0 -2,-0.2 0.529 97.7 83.8-129.9 -21.3 61.0 50.6 24.8 520 520 A L G >< S+ 0 0 105 -4,-1.6 3,-0.6 1,-0.2 4,-0.4 0.725 79.5 63.0 -60.3 -31.5 59.7 54.2 24.4 521 521 A A G 3> S+ 0 0 42 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.370 76.3 91.3 -84.1 5.4 56.0 53.5 25.1 522 522 A K G <4 S+ 0 0 147 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.1 0.834 85.3 45.7 -74.6 -37.4 56.3 52.3 28.6 523 523 A K T <> S+ 0 0 134 -3,-0.6 4,-1.0 1,-0.1 -2,-0.1 0.993 115.3 45.2 -65.5 -67.1 55.9 55.6 30.5 524 524 A I H >> S+ 0 0 51 -4,-0.4 4,-1.1 1,-0.2 3,-0.9 0.793 100.3 71.3 -42.3 -47.1 52.9 56.8 28.5 525 525 A E H >X S+ 0 0 105 -4,-1.8 3,-1.3 1,-0.3 4,-0.6 0.878 103.0 35.9 -45.1 -60.3 51.0 53.5 28.6 526 526 A P H 34 S+ 0 0 73 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.713 111.6 64.2 -69.9 -19.4 49.9 53.4 32.3 527 527 A E H << S+ 0 0 50 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.1 0.679 92.2 61.9 -75.6 -18.5 49.4 57.2 32.3 528 528 A L H << S+ 0 0 56 -3,-1.3 -1,-0.2 -4,-1.1 -3,-0.1 0.778 88.3 91.4 -76.7 -24.4 46.7 56.8 29.7 529 529 A D S < S+ 0 0 120 -4,-0.6 3,-0.2 -3,-0.3 2,-0.1 -0.438 84.0 14.1 -65.3 141.9 44.8 54.8 32.4 530 530 A G S S- 0 0 51 1,-0.1 -3,-0.0 -2,-0.1 0, 0.0 -0.335 88.7 -87.2 91.5-173.3 42.5 56.8 34.6 531 531 A S S S+ 0 0 100 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.462 77.5 120.5-116.9 -4.9 41.2 60.3 34.3 532 532 A A - 0 0 71 -3,-0.2 2,-0.1 1,-0.1 17,-0.1 -0.281 69.3-111.7 -61.4 145.2 43.9 62.4 36.0 533 533 A Q - 0 0 149 1,-0.0 2,-0.4 16,-0.0 -1,-0.1 -0.499 33.6-125.1 -66.6 148.0 45.5 65.1 33.8 534 534 A V + 0 0 13 8,-0.4 12,-0.2 -2,-0.1 11,-0.1 -0.812 38.4 162.1 -99.2 141.6 49.1 64.2 33.0 535 535 A T + 0 0 110 -2,-0.4 -1,-0.1 8,-0.0 7,-0.1 0.220 47.7 96.8-139.5 11.1 51.8 66.7 33.8 536 536 A S S S+ 0 0 73 5,-0.1 2,-0.2 6,-0.0 3,-0.1 0.180 80.1 50.0 -96.6 16.7 55.0 64.7 33.8 537 537 A H S S- 0 0 58 1,-0.2 2,-0.1 -3,-0.0 0, 0.0 -0.611 101.7 -58.0-130.8-165.6 56.2 65.4 30.3 538 538 A D > - 0 0 85 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.353 62.1 -98.6 -70.8 165.1 56.7 68.4 28.0 539 539 A A H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.774 121.0 54.2 -60.0 -30.0 53.7 70.6 27.4 540 540 A S H > S+ 0 0 76 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.968 109.5 43.0 -71.1 -53.8 53.0 68.9 24.1 541 541 A T H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.844 118.9 47.1 -59.7 -36.2 52.9 65.2 25.3 542 542 A N H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -8,-0.4 0.894 111.9 49.9 -69.6 -41.5 50.8 66.4 28.3 543 543 A G H X S+ 0 0 41 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.870 112.8 46.8 -67.3 -38.8 48.5 68.5 26.1 544 544 A L H X S+ 0 0 104 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.896 111.2 50.9 -68.7 -42.4 47.9 65.6 23.8 545 545 A I H X S+ 0 0 5 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.917 110.9 49.6 -61.5 -40.8 47.3 63.1 26.6 546 546 A N H X S+ 0 0 37 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.793 111.0 48.3 -72.6 -28.0 44.8 65.5 28.1 547 547 A F H X S+ 0 0 118 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.918 109.3 53.6 -73.5 -43.2 43.0 66.0 24.9 548 548 A I H X S+ 0 0 85 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.966 113.1 43.6 -54.1 -52.4 42.9 62.2 24.3 549 549 A K H >X S+ 0 0 13 -4,-2.6 3,-0.9 2,-0.2 4,-0.9 0.915 112.1 51.1 -60.9 -45.3 41.3 61.8 27.8 550 550 A Q H >< S+ 0 0 110 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.935 114.9 46.1 -57.6 -41.9 38.9 64.7 27.3 551 551 A Q H 3< S+ 0 0 87 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.515 92.4 76.8 -79.8 -8.0 37.9 63.1 24.0 552 552 A R H << S+ 0 0 119 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.916 98.8 49.1 -61.6 -41.3 37.6 59.5 25.4 553 553 A E S << S+ 0 0 141 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.696 86.8 103.1 -70.3 -31.0 34.2 60.7 26.9 554 554 A A 0 0 63 -4,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.155 360.0 360.0 -60.3 153.1 32.6 62.3 23.8 555 555 A R 0 0 152 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.933 360.0 360.0-129.6 360.0 29.9 60.5 21.9