==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-APR-11 3RFX . COMPND 2 MOLECULE: URONATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR T.PARKKINEN,J.ROUVINEN . 795 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 68 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 3 1 0 2 6 3 0 0 3 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 9 6 3 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 3 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 2 A A 0 0 113 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -25.7 51.0 51.5 6.3 2 3 A M E -a 26 0A 34 23,-0.6 25,-2.0 1,-0.1 26,-0.2 -0.979 360.0-113.3-170.4 163.1 51.4 48.2 4.3 3 4 A K E S+ 0 0 114 -2,-0.3 25,-2.5 1,-0.3 2,-0.4 0.943 98.8 12.7 -72.1 -49.2 50.3 44.6 4.0 4 5 A R E -a 28 0A 28 23,-0.2 61,-3.0 22,-0.1 62,-0.8 -0.976 60.8-171.0-138.6 124.4 53.6 42.9 5.0 5 6 A L E -ab 29 66A 0 23,-2.1 25,-2.8 -2,-0.4 2,-0.5 -0.950 15.5-145.8-112.0 128.8 56.8 44.3 6.5 6 7 A L E -ab 30 67A 0 60,-3.0 62,-3.0 -2,-0.5 2,-0.5 -0.806 11.7-171.5 -91.0 131.2 59.9 42.2 6.8 7 8 A V E -ab 31 68A 0 23,-2.8 25,-2.4 -2,-0.5 3,-0.5 -0.963 8.8-164.5-118.8 112.3 62.3 42.7 9.8 8 9 A T E S+ b 0 69A 2 60,-2.1 62,-0.7 -2,-0.5 25,-0.2 -0.475 73.0 34.4 -86.7 167.0 65.6 40.8 9.5 9 10 A G S > S+ 0 0 11 61,-0.2 3,-1.8 23,-0.2 6,-0.6 0.792 75.3 155.7 57.9 30.8 67.9 40.2 12.5 10 11 A A T 3 + 0 0 1 22,-2.7 23,-0.2 -3,-0.5 9,-0.2 0.562 62.2 56.5 -71.7 -9.5 64.7 39.9 14.5 11 12 A A T 3 S+ 0 0 23 21,-0.3 -1,-0.3 4,-0.1 22,-0.1 0.534 93.1 90.9 -93.6 -9.4 66.2 37.7 17.2 12 13 A G S <> S- 0 0 29 -3,-1.8 4,-2.3 23,-0.1 5,-0.2 -0.113 97.1 -92.5 -79.0-179.2 68.9 40.3 17.9 13 14 A Q H > S+ 0 0 135 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.936 126.2 36.6 -64.7 -48.6 68.6 43.2 20.5 14 15 A L H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 114.7 58.3 -69.5 -38.0 67.3 45.8 18.1 15 16 A G H > S+ 0 0 1 -6,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.874 102.8 51.9 -57.7 -42.1 65.2 43.2 16.2 16 17 A R H X S+ 0 0 142 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.893 111.5 48.4 -64.3 -39.2 63.3 42.2 19.4 17 18 A V H X S+ 0 0 28 -4,-1.2 4,-2.8 -5,-0.2 3,-0.4 0.924 113.5 45.5 -62.1 -47.2 62.5 45.9 20.0 18 19 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.838 101.2 66.6 -72.3 -31.4 61.3 46.4 16.4 19 20 A R H < S+ 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.888 115.2 31.1 -53.4 -38.6 59.2 43.2 16.4 20 21 A E H >< S+ 0 0 143 -4,-1.0 3,-0.8 -3,-0.4 -2,-0.2 0.916 122.8 46.0 -82.3 -48.8 57.1 45.0 19.0 21 22 A R H 3< S+ 0 0 74 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.781 112.8 47.0 -72.8 -29.8 57.4 48.6 18.0 22 23 A L T >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 4,-0.4 0.440 81.1 100.3 -93.0 -0.2 56.8 48.2 14.2 23 24 A A G X S+ 0 0 48 -3,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.882 77.2 56.9 -50.9 -44.9 53.8 45.9 14.5 24 25 A P G 3 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.592 94.0 71.3 -65.2 -9.5 51.3 48.8 13.9 25 26 A M G < S+ 0 0 12 -3,-2.0 -23,-0.6 -24,-0.1 2,-0.3 0.650 104.2 26.6 -82.8 -16.7 53.0 49.6 10.5 26 27 A A E < -a 2 0A 14 -3,-1.4 -23,-0.2 -4,-0.4 3,-0.1 -0.990 67.4-127.1-147.4 151.9 51.7 46.5 8.7 27 28 A E E S+ 0 0 138 -25,-2.0 2,-0.4 -2,-0.3 -23,-0.2 0.905 106.0 28.0 -62.3 -40.4 48.9 44.0 8.7 28 29 A I E S-a 4 0A 35 -25,-2.5 -23,-2.1 -26,-0.2 2,-0.6 -0.984 70.8-156.8-126.2 131.2 51.5 41.2 8.8 29 30 A L E -ac 5 44A 5 14,-2.5 16,-2.4 -2,-0.4 2,-0.6 -0.924 8.3-159.6-105.6 119.5 55.0 41.4 10.3 30 31 A R E -ac 6 45A 29 -25,-2.8 -23,-2.8 -2,-0.6 2,-0.4 -0.895 9.2-163.8 -99.2 120.4 57.4 38.8 9.0 31 32 A L E -ac 7 46A 0 14,-3.2 16,-2.9 -2,-0.6 2,-0.3 -0.854 9.4-179.4-104.6 136.0 60.4 38.2 11.3 32 33 A A E + c 0 47A 2 -25,-2.4 -22,-2.7 -2,-0.4 -21,-0.3 -0.974 10.9 147.1-135.5 150.2 63.6 36.5 10.2 33 34 A D E - c 0 48A 26 14,-1.4 16,-1.5 -2,-0.3 4,-0.1 -0.950 51.1-121.2-167.9 158.9 66.9 35.5 11.7 34 35 A L S S+ 0 0 102 -2,-0.3 16,-0.1 14,-0.2 -1,-0.1 0.820 100.5 69.9 -69.7 -33.0 69.6 32.9 11.4 35 36 A S S S- 0 0 61 1,-0.1 14,-0.1 14,-0.1 -25,-0.1 -0.463 104.4 -83.6 -84.2 155.6 68.8 32.2 15.1 36 37 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.289 46.5-146.6 -55.7 139.9 65.6 30.6 16.5 37 38 A L - 0 0 34 -4,-0.1 3,-0.1 -6,-0.1 -26,-0.1 -0.839 24.0 -98.8-109.3 147.0 62.8 33.1 17.0 38 39 A D - 0 0 122 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.413 65.7 -82.1 -54.5 140.5 60.1 33.1 19.6 39 40 A P - 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.050 52.1 -93.3 -53.5 148.1 57.0 31.5 17.9 40 41 A A - 0 0 51 -3,-0.1 3,-0.1 6,-0.1 6,-0.1 -0.394 40.5-163.0 -65.0 131.9 54.7 33.6 15.7 41 42 A G > - 0 0 33 1,-0.2 3,-1.6 -2,-0.1 -1,-0.1 -0.255 47.9 -45.7 -95.0-168.9 51.7 35.2 17.3 42 43 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.383 132.0 15.2 -57.8 136.5 48.6 36.7 15.6 43 44 A N T 3 S+ 0 0 121 1,-0.2 -14,-2.5 -3,-0.1 2,-0.4 0.695 109.0 108.1 70.9 20.3 49.7 38.9 12.6 44 45 A E E < -c 29 0A 48 -3,-1.6 2,-0.4 -16,-0.2 -1,-0.2 -0.961 47.3-167.8-128.2 148.2 53.2 37.5 12.6 45 46 A E E -c 30 0A 59 -16,-2.4 -14,-3.2 -2,-0.4 2,-0.4 -0.993 14.5-155.2-125.6 137.8 55.2 35.1 10.3 46 47 A C E -c 31 0A 47 -2,-0.4 2,-0.4 -16,-0.2 -14,-0.2 -0.957 11.4-176.2-119.0 134.8 58.5 33.8 11.5 47 48 A V E -c 32 0A 42 -16,-2.9 -14,-1.4 -2,-0.4 2,-0.6 -0.976 14.0-154.8-131.5 138.0 61.3 32.6 9.2 48 49 A Q E +c 33 0A 133 -2,-0.4 2,-0.3 -16,-0.2 -14,-0.2 -0.951 36.4 131.9-113.6 118.4 64.7 31.0 9.9 49 50 A C - 0 0 16 -16,-1.5 2,-0.4 -2,-0.6 -14,-0.1 -0.983 52.9-113.3-162.3 154.6 67.4 31.4 7.3 50 51 A D > - 0 0 62 -2,-0.3 3,-2.0 1,-0.1 7,-0.3 -0.740 22.8-139.6 -84.8 129.7 71.0 32.3 6.6 51 52 A L T 3 S+ 0 0 21 -2,-0.4 41,-0.2 1,-0.3 -1,-0.1 0.721 103.7 64.9 -59.6 -20.7 71.4 35.6 4.7 52 53 A A T 3 S+ 0 0 22 1,-0.1 2,-0.9 40,-0.1 -1,-0.3 0.551 82.9 87.0 -79.8 -7.5 74.2 33.8 2.8 53 54 A D <> - 0 0 80 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.825 63.5-165.7 -99.2 100.7 71.6 31.4 1.4 54 55 A A H > S+ 0 0 51 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.866 85.1 48.3 -58.2 -46.1 70.3 33.0 -1.8 55 56 A N H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 113.2 48.6 -62.2 -41.7 67.2 30.8 -2.3 56 57 A A H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 111.1 50.2 -64.7 -43.3 66.2 31.2 1.3 57 58 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -7,-0.3 5,-0.2 0.925 106.9 54.9 -61.9 -43.8 66.6 35.0 1.1 58 59 A N H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.939 111.6 44.2 -51.5 -49.1 64.5 35.1 -2.1 59 60 A A H < S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.4 56.1 -64.5 -38.3 61.7 33.3 -0.2 60 61 A M H < S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.910 114.4 38.5 -58.8 -43.2 62.2 35.5 2.9 61 62 A V H >< S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.1 -2,-0.2 0.852 88.7 106.2 -80.5 -36.3 61.6 38.6 0.8 62 63 A A T 3< S+ 0 0 28 -4,-2.3 3,-0.1 1,-0.3 35,-0.1 -0.166 87.7 17.7 -51.4 129.3 58.9 37.5 -1.5 63 64 A G T 3 S+ 0 0 44 1,-0.3 2,-0.4 37,-0.2 -1,-0.3 0.396 95.1 125.2 89.4 -2.1 55.5 39.0 -0.6 64 65 A C < - 0 0 6 -3,-2.3 -1,-0.3 1,-0.1 -59,-0.2 -0.751 45.0-164.3 -95.9 139.8 57.0 41.8 1.5 65 66 A D S S+ 0 0 82 -61,-3.0 39,-0.7 -2,-0.4 2,-0.3 0.510 77.0 12.5 -95.6 -9.5 56.2 45.5 0.9 66 67 A G E -bd 5 104A 0 -62,-0.8 -60,-3.0 37,-0.2 2,-0.4 -0.976 64.5-145.8-163.9 154.5 59.0 46.9 2.9 67 68 A I E -bd 6 105A 0 37,-2.5 39,-3.0 -2,-0.3 2,-0.7 -0.994 7.9-167.4-134.2 128.8 62.2 45.7 4.6 68 69 A V E -bd 7 106A 0 -62,-3.0 -60,-2.1 -2,-0.4 2,-1.2 -0.949 23.3-156.5-107.8 104.4 63.9 46.8 7.8 69 70 A H E +bd 8 107A 1 37,-2.9 39,-1.9 -2,-0.7 -60,-0.1 -0.679 39.5 141.3 -93.1 92.3 67.3 45.1 7.5 70 71 A L + 0 0 26 -2,-1.2 -61,-0.2 -62,-0.7 -1,-0.2 0.549 40.1 111.0-100.7 -13.4 68.8 44.6 10.9 71 72 A G + 0 0 4 -3,-0.2 2,-0.3 -59,-0.0 37,-0.1 -0.368 51.2 55.4 -71.8 139.7 70.3 41.2 10.2 72 73 A G S S- 0 0 35 -2,-0.1 2,-0.6 17,-0.0 14,-0.1 -0.918 92.9 -34.9 138.7-166.4 74.0 40.7 10.0 73 74 A I + 0 0 31 -2,-0.3 4,-0.1 9,-0.2 -2,-0.0 -0.844 44.9 173.1 -99.7 122.7 77.2 41.3 12.0 74 75 A S + 0 0 89 -2,-0.6 2,-0.2 2,-0.1 -1,-0.1 0.623 62.3 50.3-104.1 -20.8 77.2 44.5 14.2 75 76 A V S S- 0 0 65 1,-0.1 2,-0.3 60,-0.0 182,-0.0 -0.714 102.0 -75.0-116.0 169.5 80.4 44.1 16.1 76 77 A E + 0 0 12 -2,-0.2 -2,-0.1 58,-0.1 -1,-0.1 -0.472 63.8 153.9 -70.3 128.1 84.0 43.3 15.0 77 78 A K - 0 0 74 -2,-0.3 186,-0.3 186,-0.1 57,-0.2 -0.855 48.8 -65.3-142.6 172.7 84.4 39.7 14.1 78 79 A P >> - 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.292 51.2-110.0 -62.4 154.1 86.6 37.6 11.9 79 80 A F H 3> S+ 0 0 100 184,-0.5 4,-3.4 1,-0.2 5,-0.3 0.859 111.9 63.0 -54.2 -44.1 86.4 38.1 8.1 80 81 A E H 3> S+ 0 0 93 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 107.4 42.3 -52.7 -45.6 84.7 34.8 7.4 81 82 A Q H <> S+ 0 0 72 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.853 115.5 49.2 -70.8 -37.1 81.6 35.6 9.4 82 83 A I H X>S+ 0 0 1 -4,-1.5 4,-2.9 2,-0.2 5,-0.8 0.922 107.9 55.2 -66.0 -46.2 81.4 39.2 8.1 83 84 A L H X>S+ 0 0 52 -4,-3.4 5,-2.9 1,-0.2 4,-1.0 0.909 112.0 43.9 -52.0 -46.7 81.7 38.0 4.6 84 85 A Q H <>S+ 0 0 84 -4,-1.6 5,-1.0 -5,-0.3 -1,-0.2 0.935 123.3 31.3 -67.8 -49.2 78.7 35.7 5.0 85 86 A G H <5S+ 0 0 10 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.2 0.822 131.8 25.3 -82.0 -33.1 76.3 38.0 6.9 86 87 A N H <5S+ 0 0 2 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.568 129.4 29.5-113.8 -16.1 77.2 41.5 5.5 87 88 A I T X S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 109.5 51.7 -69.7 -44.2 73.7 42.0 1.3 91 92 A Y H X S+ 0 0 113 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.958 111.8 47.7 -54.2 -50.0 74.1 40.8 -2.3 92 93 A N H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.879 110.5 51.3 -60.8 -39.7 71.4 38.2 -1.7 93 94 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.926 112.4 45.3 -63.9 -44.1 69.0 40.7 -0.1 94 95 A Y H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.904 113.3 49.6 -69.6 -39.8 69.3 43.2 -2.9 95 96 A E H X S+ 0 0 45 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.899 111.7 49.9 -61.2 -40.8 68.9 40.5 -5.6 96 97 A A H X S+ 0 0 2 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.910 111.4 47.6 -66.8 -41.8 65.8 39.2 -3.8 97 98 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-1.0 0.908 109.0 54.5 -63.5 -40.6 64.3 42.6 -3.5 98 99 A R H ><5S+ 0 0 101 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.840 109.2 49.0 -64.3 -30.5 65.0 43.2 -7.2 99 100 A A H 3<5S+ 0 0 62 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.598 113.2 48.2 -82.6 -12.3 63.1 40.0 -8.0 100 101 A H T <<5S- 0 0 65 -3,-1.0 -1,-0.2 -4,-0.7 -37,-0.2 -0.193 128.6 -70.9-130.8 44.5 60.1 40.9 -5.9 101 102 A G T < 5 - 0 0 74 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.542 69.9 -92.8 89.9 8.0 59.0 44.5 -6.6 102 103 A Q < - 0 0 60 -5,-2.6 54,-0.4 -6,-0.2 -1,-0.2 0.921 49.0-154.6 49.1 56.6 61.9 46.4 -5.0 103 104 A P - 0 0 7 0, 0.0 -37,-0.2 0, 0.0 -1,-0.1 -0.343 30.5 -95.6 -56.5 139.4 60.3 46.8 -1.6 104 105 A R E -d 66 0A 34 -39,-0.7 -37,-2.5 88,-0.1 2,-0.4 -0.327 44.3-144.5 -60.7 140.6 61.8 49.9 0.1 105 106 A I E -de 67 157A 0 51,-2.1 53,-2.5 -39,-0.2 2,-0.7 -0.910 18.1-159.8-116.1 131.2 64.7 49.1 2.4 106 107 A V E -de 68 158A 1 -39,-3.0 -37,-2.9 -2,-0.4 2,-0.5 -0.956 26.7-158.0 -98.6 111.7 65.8 50.6 5.7 107 108 A F E -de 69 159A 1 51,-2.5 53,-2.1 -2,-0.7 2,-1.6 -0.816 14.8-136.2 -95.4 126.8 69.4 49.4 6.0 108 109 A A E + e 0 160A 6 -39,-1.9 53,-0.1 -2,-0.5 51,-0.1 -0.648 39.1 165.1 -77.4 87.0 71.2 49.3 9.4 109 110 A S E - e 0 161A 3 51,-1.7 53,-1.0 -2,-1.6 2,-0.3 -0.088 26.0-125.5 -81.6-160.0 74.5 50.8 8.4 110 111 A S E > - e 0 162A 15 51,-0.3 3,-1.7 26,-0.1 53,-0.2 -0.996 20.2-121.3-153.5 150.1 76.8 52.0 11.2 111 112 A N G > S+ 0 0 2 51,-2.2 3,-2.3 -2,-0.3 52,-0.1 0.722 104.7 81.2 -58.5 -21.2 78.8 54.8 12.7 112 113 A H G > S+ 0 0 17 1,-0.3 20,-1.8 50,-0.2 3,-0.7 0.661 72.9 73.8 -67.1 -10.7 81.7 52.4 12.3 113 114 A T G < S+ 0 0 0 -3,-1.7 17,-2.0 1,-0.2 -1,-0.3 0.694 113.4 25.4 -66.3 -20.6 81.9 53.4 8.6 114 115 A I G X S+ 0 0 0 -3,-2.3 3,-1.9 15,-0.2 139,-0.3 0.034 84.9 130.1-129.7 23.6 83.4 56.7 9.8 115 116 A G T < 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126 A P T 3 S+ 0 0 24 0, 0.0 77,-0.1 0, 0.0 90,-0.0 0.660 117.1 59.2 -67.9 -16.9 76.5 62.9 4.9 126 127 A D T 3 S+ 0 0 154 75,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.323 72.6 128.4 -96.6 8.2 79.1 63.2 2.0 127 128 A V < - 0 0 32 -3,-1.3 3,-0.1 1,-0.1 -4,-0.0 -0.288 69.3 -98.7 -65.2 147.6 82.3 62.7 4.1 128 129 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.385 47.0-100.1 -62.9 144.1 84.8 60.1 2.8 129 130 A A - 0 0 51 -3,-0.1 -15,-0.2 1,-0.1 -16,-0.1 -0.345 35.5-179.0 -63.3 143.0 84.5 56.7 4.7 130 131 A R - 0 0 107 -17,-2.0 -14,-2.3 -3,-0.1 -13,-0.3 -0.571 17.6-164.8-137.7 72.8 87.0 56.0 7.5 131 132 A P - 0 0 40 0, 0.0 -18,-0.2 0, 0.0 -19,-0.1 -0.287 14.5-148.7 -65.8 143.5 86.0 52.5 8.6 132 133 A D - 0 0 5 -20,-1.8 2,-0.3 1,-0.1 128,-0.2 0.336 69.6 -21.6-100.6 7.6 87.4 51.4 12.0 133 134 A G S > S- 0 0 17 -21,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.965 89.0 -61.7 175.4-170.4 87.5 47.6 11.2 134 135 A L H > S+ 0 0 36 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.833 127.5 57.3 -64.9 -33.6 86.1 44.9 9.0 135 136 A A H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 109.5 44.4 -62.3 -48.7 82.6 45.5 10.3 136 137 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.915 112.1 52.6 -58.6 -45.2 82.7 49.1 9.2 137 138 A V H X S+ 0 0 77 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.908 109.5 49.9 -57.6 -41.1 84.2 48.2 5.9 138 139 A S H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.834 107.2 53.1 -71.2 -30.2 81.4 45.7 5.3 139 140 A K H X S+ 0 0 14 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.882 107.0 53.3 -70.7 -35.1 78.8 48.3 6.2 140 141 A C H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.889 105.1 55.1 -58.6 -41.9 80.4 50.5 3.5 141 142 A F H X S+ 0 0 72 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.937 106.8 50.0 -58.3 -46.3 80.0 47.6 1.1 142 143 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.900 111.9 48.1 -57.4 -43.6 76.3 47.6 1.9 143 144 A E H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.902 113.5 46.1 -63.2 -44.2 76.1 51.4 1.3 144 145 A N H X S+ 0 0 112 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.886 114.1 48.5 -68.2 -39.9 78.0 51.2 -2.0 145 146 A L H X S+ 0 0 21 -4,-2.8 4,-2.4 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B F G <> S+ 0 0 42 -3,-2.7 4,-2.5 -4,-0.2 -1,-0.3 0.420 79.3 97.8 -98.5 -1.1 49.4 69.5 9.3 499 234 B R H <> S+ 0 0 16 -3,-1.8 4,-2.4 -4,-0.3 5,-0.2 0.929 86.6 44.0 -57.0 -51.8 50.9 66.3 8.1 500 235 B R H > S+ 0 0 186 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.950 114.0 51.6 -56.6 -50.3 48.4 63.9 9.7 501 236 B H H > S+ 0 0 92 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.872 110.0 50.2 -54.8 -40.0 45.5 66.2 8.7 502 237 B I H X S+ 0 0 7 -4,-2.5 4,-1.2 1,-0.2 3,-0.3 0.892 109.8 48.0 -69.7 -40.8 46.8 66.1 5.1 503 238 B T H < S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.6 50.7 -67.3 -30.1 47.1 62.3 4.9 504 239 B E H < S+ 0 0 119 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.705 119.9 32.5 -78.0 -20.6 43.6 62.1 6.4 505 240 B T H < S+ 0 0 85 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.390 113.6 50.5-123.7 3.0 42.0 64.5 3.9 506 241 B T S < S- 0 0 47 -4,-1.2 -1,-0.1 -3,-0.1 -69,-0.0 -0.972 84.7 -98.0-140.2 153.7 43.8 64.1 0.6 507 242 B P - 0 0 110 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.427 50.5 -96.5 -67.5 147.2 44.8 61.2 -1.7 508 243 B P - 0 0 119 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 -0.392 47.7-106.4 -62.6 140.6 48.4 59.9 -1.4 509 244 B P - 0 0 37 0, 0.0 -3,-0.0 0, 0.0 -72,-0.0 -0.379 25.7-115.7 -70.4 147.3 50.7 61.5 -4.0 510 245 B D > - 0 0 78 1,-0.1 3,-2.1 -2,-0.1 6,-0.3 -0.704 21.0-133.5 -76.5 128.6 51.9 59.4 -7.0 511 246 B P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.707 106.1 56.5 -60.7 -17.7 55.7 59.2 -6.6 512 247 B N T 3 S+ 0 0 117 3,-0.0 2,-0.2 5,-0.0 5,-0.1 0.560 82.9 110.1 -89.5 -10.2 56.0 60.1 -10.3 513 248 B D S X S- 0 0 68 -3,-2.1 3,-2.2 1,-0.1 4,-0.3 -0.464 73.2-132.9 -68.4 133.2 54.0 63.3 -9.9 514 249 B A G >> S+ 0 0 5 1,-0.3 4,-2.1 -2,-0.2 3,-1.5 0.793 102.2 77.7 -50.5 -29.6 56.0 66.6 -10.4 515 250 B L G 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.790 107.4 27.0 -53.3 -32.3 54.2 67.6 -7.1 516 251 B V G <4 S+ 0 0 6 -3,-2.2 -1,-0.3 -6,-0.3 -2,-0.2 0.169 123.0 51.7-118.1 17.1 56.6 65.5 -5.1 517 252 B R T <4 S+ 0 0 115 -3,-1.5 -132,-1.6 1,-0.3 2,-0.4 0.697 103.6 44.2-119.0 -37.0 59.7 65.5 -7.5 518 253 B F B >< S-P 384 0F 43 -4,-2.1 3,-2.0 -134,-0.2 -1,-0.3 -0.896 70.8-130.6-120.5 145.1 60.5 69.1 -8.3 519 254 B Q T 3 S+ 0 0 0 -136,-2.8 -138,-0.2 -2,-0.4 -137,-0.2 0.833 112.0 53.4 -64.0 -29.8 60.6 72.2 -6.1 520 255 B G T > S- 0 0 1 -139,-2.7 3,-1.6 -137,-0.3 -1,-0.3 0.437 97.0-157.6 -80.5 0.9 58.4 74.0 -8.5 521 256 B G G X - 0 0 1 -3,-2.0 3,-1.7 -7,-0.3 4,-0.3 -0.273 65.6 -4.6 56.5-138.1 55.8 71.2 -8.4 522 257 B T G >> S+ 0 0 80 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.618 115.1 85.6 -68.0 -11.8 53.5 71.0 -11.4 523 258 B F G X4 S+ 0 0 34 -3,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.839 80.4 64.0 -56.6 -32.0 54.9 74.2 -13.0 524 259 B V G <4 S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.824 99.1 54.6 -61.4 -27.6 57.7 72.0 -14.5 525 260 B D G <4 S+ 0 0 114 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.619 84.5 110.8 -81.2 -14.0 54.9 70.3 -16.5 526 261 B N << - 0 0 36 -3,-1.2 2,-0.1 -4,-0.5 -3,-0.0 -0.353 60.2-143.0 -60.1 137.0 53.6 73.6 -18.0 527 262 B P - 0 0 68 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.279 41.2 -79.1 -79.8-178.5 54.1 74.1 -21.7 528 263 B I - 0 0 8 -129,-0.1 2,-0.2 -2,-0.1 -129,-0.0 -0.794 57.7-134.3 -77.5 113.8 54.9 77.6 -23.0 529 264 B F - 0 0 75 -2,-0.8 -184,-0.6 -186,-0.3 2,-0.3 -0.502 17.7-155.5 -76.4 141.8 51.4 79.1 -23.0 530 265 B K 0 0 124 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 -0.869 360.0 360.0-115.2 150.2 50.3 81.0 -26.1 531 266 B Q 0 0 180 -2,-0.3 -1,-0.2 -188,-0.1 -2,-0.0 0.996 360.0 360.0 -73.5 360.0 47.6 83.7 -26.2 532 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 533 2 C A 0 0 109 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -32.9 80.5 70.5 -38.8 534 3 C M E -s 558 0I 34 23,-0.9 25,-1.6 1,-0.1 26,-0.2 -0.986 360.0-108.0-169.6 167.6 77.0 71.0 -40.2 535 4 C K E S+ 0 0 117 -2,-0.3 25,-2.6 1,-0.3 2,-0.4 0.956 100.6 12.2 -72.9 -51.0 74.9 72.0 -43.3 536 5 C R E -s 560 0I 38 23,-0.2 61,-3.1 22,-0.1 62,-0.8 -0.988 62.0-169.7-137.3 127.9 73.8 75.4 -42.3 537 6 C L E -st 561 598I 0 23,-2.2 25,-2.8 -2,-0.4 2,-0.4 -0.963 14.1-145.9-115.9 129.5 75.1 77.7 -39.4 538 7 C L E -st 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5,-0.1 0.560 82.3 112.4 -86.9 -9.1 90.1 105.2 -8.2 779 248 C D S X S- 0 0 72 -3,-2.4 3,-1.8 1,-0.1 4,-0.4 -0.415 71.5-135.0 -67.5 133.6 89.0 104.5 -11.8 780 249 C A G >> S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 3,-1.5 0.838 101.9 75.1 -54.2 -31.8 86.2 102.0 -12.4 781 250 C L G 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.782 108.0 28.2 -51.2 -33.6 88.4 100.6 -15.2 782 251 C V G <4 S+ 0 0 34 -3,-1.8 -1,-0.3 -6,-0.3 -2,-0.2 0.239 122.9 51.1-114.7 13.3 90.7 99.0 -12.6 783 252 C R T <4 S+ 0 0 122 -3,-1.5 -132,-1.5 -4,-0.4 2,-0.4 0.717 103.4 44.8-116.8 -37.0 88.2 98.5 -9.7 784 253 C F B >< S-Y 650 0J 40 -4,-2.2 3,-1.8 -134,-0.2 -1,-0.2 -0.888 71.0-130.3-117.9 145.6 85.2 96.7 -11.1 785 254 C Q T 3 S+ 0 0 0 -136,-2.8 -138,-0.2 -2,-0.4 -137,-0.2 0.834 111.9 53.4 -62.8 -29.4 85.0 93.7 -13.5 786 255 C G T > S- 0 0 1 -139,-2.6 3,-1.6 -137,-0.3 -1,-0.3 0.467 96.6-158.2 -82.1 -1.3 82.5 95.6 -15.7 787 256 C G G X - 0 0 1 -3,-1.8 3,-1.5 -7,-0.3 -1,-0.3 -0.318 65.5 -2.8 62.3-138.6 84.9 98.5 -15.9 788 257 C T G > S+ 0 0 81 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.585 114.8 84.9 -65.6 -12.7 83.4 101.9 -16.7 789 258 C F G X S+ 0 0 35 -3,-1.6 3,-1.3 1,-0.3 -1,-0.3 0.832 80.6 63.7 -58.4 -30.8 79.9 100.3 -17.2 790 259 C V G < S+ 0 0 9 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.812 99.7 54.7 -63.8 -25.6 79.4 100.7 -13.4 791 260 C D G < S+ 0 0 112 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.577 84.6 110.5 -82.1 -12.0 79.6 104.5 -13.9 792 261 C N < - 0 0 36 -3,-1.3 2,-0.1 -4,-0.4 -3,-0.0 -0.377 60.7-141.9 -62.3 139.6 76.8 104.5 -16.5 793 262 C P - 0 0 70 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.301 39.5 -81.7 -80.6 179.8 73.6 106.1 -15.5 794 263 C I - 0 0 10 -2,-0.1 2,-0.2 -129,-0.1 -129,-0.0 -0.816 55.3-137.3 -79.1 111.9 70.2 104.7 -16.6 795 264 C F - 0 0 77 -2,-0.8 -184,-0.5 -186,-0.3 2,-0.3 -0.504 16.7-149.2 -76.6 141.1 70.0 106.1 -20.1 796 265 C K 0 0 121 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 -0.820 360.0 360.0-114.1 151.2 66.6 107.6 -21.3 797 266 C Q 0 0 157 -2,-0.3 -1,-0.2 -188,-0.1 -2,-0.0 0.983 360.0 360.0 -73.0 360.0 65.0 107.8 -24.7