==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-DEC-01 1KOJ . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR D.ARSENIEVA,R.HARDRE,L.SALMON,C.J.JEFFERY . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 821 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 78 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 425 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.4 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 5 2 4 6 2 5 2 1 0 6 2 2 0 0 1 2 4 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 4 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 PARALLEL BRIDGES PER LADDER . 10 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 34 0, 0.0 367,-0.1 0, 0.0 369,-0.1 0.000 360.0 360.0 360.0 121.7 -4.2 27.4 25.0 2 2 A A + 0 0 6 4,-0.0 503,-0.1 366,-0.0 4,-0.1 0.073 360.0 60.0-173.8 -34.8 -4.1 27.5 21.2 3 3 A L S > S+ 0 0 0 501,-0.2 3,-1.5 1,-0.2 6,-0.2 0.829 98.9 62.0 -75.1 -33.6 -6.2 24.4 20.4 4 4 A T T 3 S+ 0 0 43 1,-0.3 -1,-0.2 5,-0.1 366,-0.0 0.814 102.0 51.0 -60.6 -33.2 -9.0 26.1 22.3 5 5 A R T 3 S+ 0 0 183 4,-0.0 -1,-0.3 5,-0.0 -2,-0.2 0.421 85.7 109.2 -86.8 0.2 -9.0 29.0 19.8 6 6 A N <> - 0 0 16 -3,-1.5 4,-1.8 1,-0.1 5,-0.1 -0.666 60.6-149.6 -83.8 126.7 -9.1 26.7 16.8 7 7 A P H > S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.821 97.5 53.9 -62.7 -35.0 -12.5 26.7 14.8 8 8 A Q H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 62,-0.2 0.923 109.4 49.3 -66.3 -41.1 -12.2 23.1 13.7 9 9 A F H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 111.1 49.4 -63.5 -38.5 -11.8 22.1 17.3 10 10 A Q H X S+ 0 0 104 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.891 108.9 52.8 -67.7 -39.1 -14.8 24.2 18.3 11 11 A K H X S+ 0 0 120 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 109.2 50.1 -60.5 -47.1 -16.8 22.6 15.5 12 12 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.940 111.7 46.8 -56.3 -52.3 -15.9 19.1 16.9 13 13 A Q H X S+ 0 0 60 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.887 110.8 51.1 -60.2 -42.5 -16.9 20.0 20.5 14 14 A Q H X S+ 0 0 104 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.932 112.1 47.9 -61.9 -44.1 -20.2 21.5 19.5 15 15 A W H >< S+ 0 0 42 -4,-2.3 3,-0.5 -5,-0.2 5,-0.5 0.946 118.0 40.0 -60.1 -51.2 -21.0 18.4 17.4 16 16 A H H >X S+ 0 0 28 -4,-2.7 3,-1.0 3,-0.3 4,-0.8 0.872 103.7 69.8 -66.8 -37.7 -20.1 16.1 20.2 17 17 A R H 3< S+ 0 0 136 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 119.5 18.5 -49.1 -38.1 -21.6 18.3 22.9 18 18 A E T << S+ 0 0 153 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.217 143.4 22.8-120.9 14.4 -25.1 17.4 21.5 19 19 A H T X> S+ 0 0 97 -3,-1.0 2,-3.1 -4,-0.4 3,-2.4 0.480 91.3 89.3-146.2 -33.6 -24.4 14.2 19.6 20 20 A G T 3< S+ 0 0 1 -4,-0.8 -4,-0.1 -5,-0.5 38,-0.0 -0.183 91.6 53.6 -70.8 51.1 -21.2 12.5 20.8 21 21 A S T 34 S+ 0 0 114 -2,-3.1 -1,-0.3 -3,-0.1 -5,-0.1 0.281 98.1 58.0-155.5 -15.6 -23.2 10.6 23.3 22 22 A E T <4 S+ 0 0 158 -3,-2.4 2,-0.3 2,-0.0 -2,-0.2 0.567 74.5 118.1 -96.9 -14.4 -25.9 9.0 21.1 23 23 A L < - 0 0 17 -4,-0.8 2,-0.5 35,-0.1 35,-0.1 -0.385 43.8-176.9 -57.3 112.3 -23.1 7.3 19.0 24 24 A N >> - 0 0 69 -2,-0.3 4,-2.1 1,-0.2 3,-0.8 -0.937 20.7-153.9-122.5 110.2 -23.8 3.6 19.5 25 25 A L H 3> S+ 0 0 0 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.866 95.0 53.0 -44.8 -52.8 -21.4 1.1 17.9 26 26 A R H 3> S+ 0 0 74 410,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.885 112.0 47.9 -56.2 -36.6 -23.9 -1.8 17.6 27 27 A H H <4 S+ 0 0 117 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.892 106.8 55.7 -70.8 -40.5 -26.3 0.6 15.8 28 28 A L H >< S+ 0 0 29 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.876 111.0 44.7 -60.6 -38.5 -23.6 1.9 13.5 29 29 A F H >< S+ 0 0 10 -4,-2.1 3,-1.3 1,-0.2 2,-0.4 0.883 106.3 59.8 -73.7 -38.4 -22.8 -1.6 12.3 30 30 A D T 3< S+ 0 0 104 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.031 112.4 39.7 -80.2 32.7 -26.5 -2.6 11.9 31 31 A T T < S+ 0 0 99 -3,-0.7 -1,-0.2 -2,-0.4 2,-0.2 0.230 114.7 49.5-158.7 4.2 -27.0 0.2 9.4 32 32 A D X - 0 0 45 -3,-1.3 3,-1.1 -4,-0.1 4,-0.2 -0.756 49.9-178.1-155.8 101.0 -23.8 0.1 7.3 33 33 A K T 3 S+ 0 0 167 1,-0.2 4,-0.2 -2,-0.2 3,-0.2 0.583 88.3 57.0 -76.0 -11.1 -22.5 -3.2 5.9 34 34 A E T 3> S+ 0 0 99 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.306 73.4 107.1-100.7 7.0 -19.5 -1.4 4.5 35 35 A R H <> S+ 0 0 5 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.912 78.8 48.8 -52.8 -48.2 -18.4 -0.0 7.9 36 36 A F H 4 S+ 0 0 26 -3,-0.2 -1,-0.2 1,-0.2 18,-0.2 0.944 114.8 44.5 -58.6 -48.5 -15.4 -2.4 8.1 37 37 A N H >4 S+ 0 0 107 -4,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.844 117.9 44.9 -66.1 -31.9 -14.2 -1.6 4.6 38 38 A H H 3< S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.740 117.4 43.3 -83.9 -23.9 -14.8 2.1 5.2 39 39 A F T 3< S+ 0 0 11 -4,-2.4 15,-1.5 -5,-0.3 2,-0.3 -0.209 106.1 63.0-117.4 44.7 -13.2 2.3 8.6 40 40 A S E < -A 53 0A 16 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.969 58.2-152.0-155.2 163.7 -10.1 0.1 8.2 41 41 A L E -A 52 0A 3 11,-2.1 11,-2.6 -2,-0.3 2,-0.5 -0.995 5.0-151.6-145.8 138.4 -6.8 0.1 6.3 42 42 A T E -A 51 0A 71 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.949 12.0-160.4-112.1 125.6 -4.6 -2.7 5.1 43 43 A L E -A 50 0A 14 7,-2.7 7,-2.2 -2,-0.5 2,-0.8 -0.921 4.2-159.4-110.1 119.1 -0.9 -2.0 4.7 44 44 A N E +A 49 0A 80 -2,-0.6 5,-0.2 5,-0.2 -2,-0.0 -0.859 12.6 176.7 -96.5 111.5 1.2 -4.3 2.6 45 45 A T - 0 0 1 3,-2.2 -1,-0.1 -2,-0.8 4,-0.1 0.456 46.9-118.3 -92.3 -2.9 4.8 -3.7 3.6 46 46 A N S S+ 0 0 128 2,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.386 112.0 64.1 79.0 -4.0 6.2 -6.4 1.3 47 47 A H S S- 0 0 88 1,-0.7 438,-0.2 1066,-0.1 2,-0.2 -0.049 125.2 -36.1-136.0 27.3 7.4 -8.2 4.4 48 48 A G - 0 0 9 431,-0.1 -3,-2.2 1065,-0.1 -1,-0.7 -0.438 68.3 -95.7 129.2 156.3 4.0 -8.8 5.9 49 49 A H E -A 44 0A 43 -5,-0.2 430,-1.8 -2,-0.2 2,-0.5 -0.746 22.8-154.1-104.5 153.5 0.6 -7.0 6.1 50 50 A I E -AB 43 478A 0 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.6 -0.974 6.0-161.2-128.8 117.0 -0.7 -4.8 8.8 51 51 A L E -AB 42 477A 1 426,-3.8 426,-2.4 -2,-0.5 2,-0.8 -0.880 3.6-170.0-102.9 116.7 -4.4 -4.5 9.3 52 52 A L E -AB 41 476A 3 -11,-2.6 -11,-2.1 -2,-0.6 2,-0.8 -0.907 7.2-174.4-104.7 103.9 -5.6 -1.5 11.3 53 53 A D E +AB 40 475A 2 422,-2.9 422,-2.3 -2,-0.8 3,-0.2 -0.886 17.5 160.6-102.9 106.5 -9.3 -2.0 12.0 54 54 A Y > + 0 0 16 -15,-1.5 3,-0.7 -2,-0.8 -14,-0.2 0.062 41.3 109.5-112.7 25.0 -10.7 1.1 13.7 55 55 A S T 3 + 0 0 0 1,-0.3 4,-0.2 -16,-0.2 -1,-0.1 0.715 65.7 68.9 -72.8 -22.5 -14.4 0.4 12.8 56 56 A K T 3 S+ 0 0 1 417,-0.4 417,-1.5 -3,-0.2 2,-0.3 -0.008 81.5 107.5 -87.1 31.9 -15.2 -0.4 16.4 57 57 A N S < S- 0 0 2 -3,-0.7 2,-2.8 415,-0.2 414,-0.0 -0.811 85.5-106.7-109.3 151.4 -14.7 3.3 17.4 58 58 A L S S+ 0 0 3 -2,-0.3 2,-0.3 412,-0.1 -35,-0.1 -0.370 82.0 110.9 -74.9 65.4 -17.4 5.8 18.3 59 59 A V - 0 0 0 -2,-2.8 2,-0.2 -4,-0.2 -2,-0.1 -0.943 45.8-165.3-138.9 158.7 -17.1 7.6 15.0 60 60 A T > - 0 0 15 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.753 47.7 -87.7-131.1 177.3 -19.0 8.3 11.8 61 61 A E H > S+ 0 0 135 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.938 128.1 51.0 -53.0 -50.8 -18.0 9.6 8.4 62 62 A E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 109.2 49.8 -51.7 -56.1 -18.7 13.2 9.6 63 63 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 109.7 49.3 -53.0 -47.8 -16.6 12.8 12.8 64 64 A M H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.877 110.8 52.9 -62.2 -35.1 -13.6 11.4 10.9 65 65 A H H X S+ 0 0 117 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.937 111.1 44.6 -64.3 -47.9 -13.9 14.3 8.5 66 66 A M H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.880 112.7 52.6 -64.1 -38.4 -13.9 16.9 11.3 67 67 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.871 110.8 46.1 -65.7 -38.3 -11.0 15.1 13.0 68 68 A L H X S+ 0 0 15 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.841 109.3 55.7 -73.9 -30.5 -9.0 15.2 9.8 69 69 A D H X S+ 0 0 45 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.873 106.9 50.3 -66.9 -36.9 -9.9 18.9 9.3 70 70 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.885 104.4 58.7 -67.2 -40.1 -8.5 19.7 12.7 71 71 A A H <>S+ 0 0 0 -4,-1.5 5,-2.2 1,-0.2 -1,-0.2 0.896 110.6 41.7 -56.9 -42.6 -5.3 17.8 12.0 72 72 A K H ><5S+ 0 0 96 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.807 110.4 53.8 -78.6 -30.6 -4.6 20.1 9.0 73 73 A S H 3<5S+ 0 0 49 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.687 107.8 54.1 -76.3 -15.3 -5.6 23.4 10.6 74 74 A R T 3<5S- 0 0 38 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.372 118.0-116.7 -95.6 2.9 -3.2 22.6 13.4 75 75 A G T <>5 + 0 0 26 -3,-1.0 4,-2.9 -5,-0.1 5,-0.2 0.781 56.7 156.4 70.3 32.0 -0.4 22.1 10.8 76 76 A V H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 112.9 47.5 -56.7 -46.4 1.8 18.1 7.8 78 78 A A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.952 113.0 49.4 -60.3 -48.8 4.0 21.2 8.1 79 79 A A H X S+ 0 0 24 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.879 108.9 54.4 -57.4 -39.8 5.2 20.0 11.5 80 80 A R H X S+ 0 0 17 -4,-2.6 4,-2.3 -5,-0.2 3,-0.3 0.939 107.0 47.8 -61.7 -50.7 6.0 16.6 10.1 81 81 A E H X S+ 0 0 67 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.887 108.1 57.5 -58.7 -38.2 8.2 17.9 7.2 82 82 A S H <>S+ 0 0 25 -4,-2.0 5,-1.6 2,-0.2 4,-0.3 0.867 107.4 47.7 -59.9 -38.6 10.0 20.1 9.7 83 83 A M H ><5S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.3 14,-0.2 0.957 113.5 45.8 -67.5 -51.7 10.9 17.0 11.8 84 84 A F H 3<5S+ 0 0 15 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.743 108.6 59.1 -64.4 -23.0 12.1 15.0 8.8 85 85 A N T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.438 114.5-109.9 -87.9 -0.1 14.1 18.0 7.5 86 86 A G T < 5 + 0 0 6 -3,-1.4 27,-0.2 1,-0.3 -3,-0.2 0.522 62.3 154.4 87.3 3.7 16.3 18.4 10.6 87 87 A E < - 0 0 100 -5,-1.6 2,-2.3 -6,-0.2 10,-0.6 -0.383 57.5-106.9 -65.0 144.7 14.7 21.6 11.9 88 88 A K + 0 0 86 1,-0.2 8,-0.2 8,-0.2 -1,-0.1 -0.445 54.0 159.1 -74.6 74.3 15.1 22.1 15.6 89 89 A I + 0 0 22 -2,-2.3 2,-2.0 1,-0.2 -1,-0.2 0.601 55.8 87.2 -73.2 -10.0 11.5 21.4 16.5 90 90 A N B >>> +F 95 0B 6 5,-2.0 5,-1.5 1,-0.2 3,-1.1 -0.536 64.3 174.7 -87.3 68.6 12.6 20.6 20.1 91 91 A S G >45 + 0 0 33 -2,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.858 65.8 55.3 -43.3 -59.7 12.2 24.4 20.8 92 92 A T G 345S+ 0 0 5 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.789 123.4 29.7 -51.1 -30.8 12.9 24.4 24.6 93 93 A E G <45S- 0 0 31 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.318 101.8-132.9-110.9 5.4 16.2 22.7 24.0 94 94 A D T <<5 + 0 0 102 -3,-1.7 2,-0.3 -4,-0.5 -3,-0.2 0.916 61.3 136.4 38.0 59.7 16.7 24.1 20.5 95 95 A R B < -F 90 0B 69 -5,-1.5 -5,-2.0 -7,-0.1 -1,-0.2 -0.946 57.3-111.1-133.6 150.6 17.6 20.7 19.3 96 96 A A - 0 0 7 -2,-0.3 2,-0.5 -8,-0.2 -8,-0.2 -0.356 19.5-139.4 -75.5 163.5 16.7 18.7 16.2 97 97 A V + 0 0 6 -10,-0.6 -11,-0.2 -14,-0.2 3,-0.2 -0.840 40.2 149.2-126.2 91.0 14.4 15.6 16.5 98 98 A L >> + 0 0 0 170,-1.9 3,-1.1 -2,-0.5 4,-1.0 -0.233 17.5 130.8-124.6 49.0 15.8 13.0 14.2 99 99 A H H 3> S+ 0 0 2 1,-0.3 4,-0.8 2,-0.2 3,-0.2 0.806 80.7 65.0 -66.4 -21.5 15.2 9.4 15.4 100 100 A V H 34 S+ 0 0 4 1,-0.2 3,-0.4 -3,-0.2 -1,-0.3 0.815 93.6 59.2 -67.1 -28.2 14.0 9.0 11.8 101 101 A A H X4 S+ 0 0 0 -3,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.879 95.3 63.3 -66.6 -38.2 17.6 9.7 10.6 102 102 A L H 3< S+ 0 0 5 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 114.4 31.5 -55.7 -35.9 18.8 6.7 12.6 103 103 A R T 3< S+ 0 0 0 -4,-0.8 2,-2.2 -3,-0.4 -1,-0.3 0.103 81.5 127.2-111.1 20.2 16.8 4.3 10.5 104 104 A N X + 0 0 18 -3,-1.6 3,-1.6 1,-0.2 193,-0.1 -0.511 24.8 165.2 -78.9 77.1 16.9 6.3 7.2 105 105 A R T 3 + 0 0 78 -2,-2.2 -1,-0.2 1,-0.3 192,-0.1 0.570 67.2 71.7 -72.3 -9.2 18.2 3.5 5.1 106 106 A S T 3 S- 0 0 61 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.620 97.3-143.5 -77.0 -12.3 17.4 5.3 1.9 107 107 A N < + 0 0 79 -3,-1.6 -2,-0.1 1,-0.2 3,-0.1 0.607 37.3 165.8 58.8 15.1 20.4 7.4 3.0 108 108 A T - 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0 0 10 -4,-1.9 4,-1.5 -5,-0.4 -1,-0.2 -0.033 31.9 -84.4 94.7 159.7 22.4 -10.4 14.8 289 289 A F H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.783 122.4 59.5 -75.1 -26.8 23.0 -7.3 12.7 290 290 A D H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 108.8 45.4 -66.1 -42.1 20.8 -8.5 9.8 291 291 A N H > S+ 0 0 41 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.884 110.5 53.8 -67.1 -37.7 17.8 -8.7 12.1 292 292 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.885 108.6 49.6 -63.1 -38.8 18.7 -5.3 13.6 293 293 A E H X S+ 0 0 51 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.848 107.9 54.1 -69.1 -32.4 18.7 -3.9 10.0 294 294 A Q H X S+ 0 0 77 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.902 107.4 51.1 -65.7 -40.4 15.3 -5.5 9.4 295 295 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.937 113.1 44.3 -60.7 -48.0 14.1 -3.8 12.6 296 296 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.894 111.3 53.9 -63.4 -41.6 15.4 -0.4 11.3 297 297 A S H X S+ 0 0 30 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.886 105.8 54.6 -60.1 -40.1 14.0 -1.2 7.8 298 298 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.925 109.9 44.7 -60.5 -46.7 10.6 -1.8 9.4 299 299 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.888 110.0 57.1 -65.0 -38.1 10.5 1.6 11.1 300 300 A H H X S+ 0 0 22 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.879 104.5 51.7 -61.3 -38.7 11.8 3.2 7.8 301 301 A W H X S+ 0 0 58 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.948 110.7 47.4 -63.7 -47.4 8.8 1.9 5.9 302 302 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.865 108.2 56.4 -62.1 -36.1 6.4 3.3 8.5 303 303 A D H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.923 109.4 45.6 -60.8 -44.2 8.2 6.6 8.4 304 304 A Q H X S+ 0 0 96 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.857 111.0 53.0 -67.1 -36.3 7.6 6.8 4.6 305 305 A H H X S+ 0 0 15 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.953 111.6 46.4 -61.4 -49.1 4.0 5.7 5.0 306 306 A F H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.848 116.6 45.0 -61.5 -36.4 3.5 8.5 7.6 307 307 A R H < S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.808 122.3 31.2 -81.4 -30.6 5.3 11.1 5.3 308 308 A T H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.539 93.9 98.4-108.2 -6.5 3.7 10.3 1.9 309 309 A T S < S- 0 0 25 -4,-1.8 5,-0.1 -5,-0.2 -4,-0.0 -0.691 77.5-111.8 -91.6 130.7 0.1 9.1 2.8 310 310 A P > - 0 0 84 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.297 35.5-114.0 -54.7 135.4 -2.9 11.4 2.6 311 311 A L G > S+ 0 0 8 1,-0.3 3,-2.1 2,-0.2 7,-0.1 0.804 112.6 64.0 -40.2 -46.7 -4.2 12.0 6.1 312 312 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 5,-0.1 -244,-0.0 0.682 117.1 29.9 -55.9 -18.7 -7.5 10.1 5.6 313 313 A K G < S+ 0 0 101 -3,-2.9 2,-0.7 -272,-0.0 -1,-0.3 0.113 91.3 119.8-127.8 19.7 -5.5 6.9 5.0 314 314 A N <> - 0 0 0 -3,-2.1 4,-2.6 -4,-0.2 5,-0.2 -0.798 51.5-153.7 -93.6 112.5 -2.5 7.7 7.2 315 315 A A H > S+ 0 0 0 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.921 91.4 43.2 -49.8 -60.7 -2.1 5.1 10.0 316 316 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.848 116.6 49.3 -57.4 -36.7 -0.3 7.2 12.7 317 317 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.887 109.6 50.0 -70.7 -40.4 -2.6 10.2 12.0 318 318 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.927 113.0 46.8 -63.7 -46.3 -5.8 8.1 12.3 319 319 A L H X S+ 0 0 3 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.901 113.9 49.7 -61.8 -42.1 -4.7 6.6 15.6 320 320 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.951 112.2 44.6 -62.9 -52.1 -3.7 10.0 16.9 321 321 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.836 109.8 55.1 -65.3 -32.5 -7.0 11.7 16.0 322 322 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.910 110.1 49.3 -65.6 -36.7 -9.1 8.9 17.3 323 323 A G H X S+ 0 0 4 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.911 107.8 51.8 -65.5 -43.9 -7.1 9.4 20.5 324 324 A I H X>S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.7 0.918 107.0 55.9 -57.4 -44.1 -7.8 13.2 20.5 325 325 A W H X>S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 5,-1.4 0.950 113.4 38.5 -52.9 -55.6 -11.5 12.4 20.1 326 326 A Y H <5S+ 0 0 5 -4,-2.0 6,-2.7 3,-0.2 -1,-0.2 0.861 122.2 43.4 -67.9 -36.2 -11.6 10.2 23.3 327 327 A I H <5S+ 0 0 9 -4,-2.8 4,-0.3 4,-0.2 -2,-0.2 0.964 125.2 27.6 -74.7 -54.0 -9.2 12.5 25.3 328 328 A N H <5S+ 0 0 19 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.708 133.7 29.0 -85.6 -22.0 -10.5 15.9 24.5 329 329 A C T < - 0 0 5 -2,-1.2 3,-1.2 66,-0.1 43,-0.1 -0.853 66.1-148.4-163.5 118.5 1.5 -12.2 22.4 342 342 A Q G > S+ 0 0 37 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.839 100.8 61.7 -59.6 -35.0 3.7 -13.3 25.4 343 343 A Y G 3 S+ 0 0 13 1,-0.3 3,-0.4 -174,-0.1 -1,-0.3 0.795 99.4 56.5 -64.0 -25.6 6.8 -12.1 23.6 344 344 A L G X> + 0 0 1 -3,-1.2 3,-1.7 1,-0.2 4,-0.6 0.035 67.8 125.8 -93.8 28.4 5.3 -8.5 23.7 345 345 A H T <4 S+ 0 0 56 -3,-1.5 4,-0.2 1,-0.3 -1,-0.2 0.661 78.7 41.0 -62.4 -15.0 5.0 -8.6 27.5 346 346 A R T 3> S+ 0 0 42 -3,-0.4 4,-1.7 -181,-0.2 -1,-0.3 0.327 89.8 95.1-112.2 6.6 7.0 -5.4 27.9 347 347 A F H <> S+ 0 0 0 -3,-1.7 4,-1.7 2,-0.2 5,-0.2 0.936 85.2 45.5 -62.1 -51.9 5.4 -3.6 24.9 348 348 A A H X S+ 0 0 4 -4,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.909 112.7 52.5 -60.6 -41.1 2.7 -1.7 26.8 349 349 A A H > S+ 0 0 7 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.854 104.6 57.4 -63.5 -34.0 5.4 -0.7 29.4 350 350 A Y H X S+ 0 0 9 -4,-1.7 4,-2.6 1,-0.2 3,-0.3 0.927 112.0 39.1 -62.7 -47.2 7.6 0.6 26.6 351 351 A F H X>S+ 0 0 8 -4,-1.7 4,-3.0 2,-0.2 5,-0.6 0.642 101.1 72.4 -79.6 -14.0 5.0 3.1 25.3 352 352 A Q H X5S+ 0 0 12 -4,-1.3 4,-1.3 -5,-0.2 5,-0.3 0.922 111.8 32.8 -62.9 -39.9 3.9 3.9 28.8 353 353 A Q H X>S+ 0 0 7 -4,-1.3 4,-2.7 -3,-0.3 5,-0.5 0.956 119.1 51.6 -77.4 -54.9 7.2 5.7 28.8 354 354 A G H X5S+ 0 0 4 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.876 120.2 34.0 -48.6 -47.3 7.3 6.7 25.2 355 355 A D H X5S+ 0 0 8 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.954 122.5 42.0 -75.7 -55.6 3.8 8.3 25.3 356 356 A M H X -N 506 0G 0 4,-3.3 3,-1.6 -2,-0.5 142,-0.3 -0.199 30.7-103.4 -72.5 170.2 2.5 25.0 24.9 365 365 A K T 3 S+ 0 0 83 140,-2.2 141,-0.1 1,-0.3 -1,-0.1 0.544 123.8 58.1 -72.2 -5.5 5.5 25.9 22.6 366 366 A S T 3 S- 0 0 74 139,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.471 122.9-106.0 -99.1 -6.1 4.3 29.5 22.8 367 367 A G S < S+ 0 0 27 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.394 75.7 135.6 97.5 -1.8 4.6 29.5 26.6 368 368 A A - 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0 0 10 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 -0.019 33.2 -84.5 92.6 160.6 9.5 -23.5 52.7 846 289 B F H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.784 122.7 58.6 -76.3 -27.5 6.5 -24.0 54.9 847 290 B D H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.941 109.8 45.1 -65.5 -43.8 7.7 -22.0 57.8 848 291 B N H > S+ 0 0 43 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.835 111.0 54.2 -66.7 -32.4 8.1 -18.9 55.6 849 292 B F H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.876 108.0 49.2 -69.1 -36.3 4.6 -19.7 54.1 850 293 B E H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.802 107.4 55.4 -72.4 -27.0 3.1 -19.7 57.6 851 294 B Q H X S+ 0 0 78 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.932 105.1 52.6 -68.0 -43.8 4.9 -16.4 58.2 852 295 B L H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.942 111.7 46.5 -53.9 -50.5 3.2 -15.0 55.1 853 296 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.906 109.9 53.2 -59.8 -43.8 -0.2 -16.1 56.5 854 297 B S H X S+ 0 0 32 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.877 105.2 54.5 -61.5 -38.6 0.6 -14.7 60.0 855 298 B G H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.888 110.5 46.4 -61.7 -38.6 1.3 -11.3 58.5 856 299 B A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.905 110.8 52.3 -69.0 -42.0 -2.1 -11.4 56.8 857 300 B H H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.885 106.7 54.0 -62.0 -39.4 -3.7 -12.5 60.1 858 301 B W H X S+ 0 0 56 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.944 111.2 44.6 -60.8 -47.1 -2.1 -9.7 61.9 859 302 B M H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.851 109.5 56.3 -66.6 -34.9 -3.5 -7.1 59.5 860 303 B D H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.918 109.4 46.3 -61.8 -43.0 -6.9 -8.8 59.5 861 304 B Q H X S+ 0 0 88 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.877 110.4 52.9 -67.3 -38.1 -7.0 -8.4 63.3 862 305 B H H X S+ 0 0 15 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.948 110.8 47.8 -60.5 -47.5 -5.9 -4.8 63.0 863 306 B F H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.8 45.1 -59.9 -39.9 -8.7 -4.1 60.5 864 307 B R H < S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.781 121.2 33.2 -78.6 -28.2 -11.3 -5.8 62.8 865 308 B T H < S+ 0 0 111 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.574 93.5 95.1-107.0 -10.9 -10.3 -4.3 66.1 866 309 B T S < S- 0 0 28 -4,-1.8 5,-0.1 -5,-0.2 -4,-0.0 -0.682 79.3-109.5 -91.5 132.6 -9.1 -0.7 65.4 867 310 B P > - 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