==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-11 2YKU . COMPND 2 MOLECULE: BETA-TRANSAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM SP. LUK; . AUTHOR G.G.WYBENGA,C.G.CRISMARU,D.B.JANSSEN,B.W.DIJKSTRA . 1295 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 935 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 8.6 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 . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 5 0.4 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 459 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 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 3 0 6 0 0 0 3 3 3 9 3 0 3 6 0 0 0 0 0 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 6 3 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 PARALLEL BRIDGES PER LADDER . 3 3 6 3 9 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 . 3 3 3 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 13 A A 0 0 105 0, 0.0 2,-0.3 0, 0.0 379,-0.1 0.000 360.0 360.0 360.0 136.6 9.5 64.1 59.2 2 14 A S - 0 0 97 377,-0.0 377,-0.0 378,-0.0 375,-0.0 -0.967 360.0 -73.2-145.3 162.7 12.0 61.2 58.8 3 15 A D - 0 0 128 -2,-0.3 2,-0.3 4,-0.1 3,-0.0 -0.227 45.5-168.6 -59.4 134.3 12.3 58.1 56.5 4 16 A T > - 0 0 56 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.903 31.3-126.5-119.5 157.2 10.0 55.2 57.2 5 17 A A H > S+ 0 0 86 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.870 110.5 57.8 -62.9 -41.1 10.0 51.6 55.8 6 18 A E H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 109.1 42.3 -54.8 -51.9 6.4 52.1 54.6 7 19 A K H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 112.7 55.3 -68.6 -33.5 7.2 55.1 52.5 8 20 A A H X S+ 0 0 47 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.902 108.1 47.9 -64.7 -41.8 10.4 53.4 51.2 9 21 A Q H X S+ 0 0 129 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.911 111.0 51.6 -64.6 -42.2 8.4 50.3 50.0 10 22 A A H X S+ 0 0 19 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.896 111.3 47.2 -60.2 -41.7 5.9 52.6 48.3 11 23 A I H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.904 109.7 53.1 -66.9 -41.9 8.7 54.5 46.5 12 24 A A H X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 109.9 48.8 -59.2 -44.1 10.4 51.1 45.5 13 25 A A H X S+ 0 0 41 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 111.9 48.7 -59.2 -44.9 7.0 50.0 44.0 14 26 A A H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.909 113.2 46.5 -64.1 -44.8 6.6 53.3 42.1 15 27 A R H X S+ 0 0 69 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.850 111.1 53.1 -63.7 -37.9 10.2 53.1 40.7 16 28 A N H X S+ 0 0 96 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.918 110.6 45.7 -65.6 -43.4 9.7 49.5 39.7 17 29 A T H X S+ 0 0 38 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.941 112.7 51.1 -61.4 -49.8 6.5 50.3 37.8 18 30 A F H X S+ 0 0 12 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.922 113.1 46.6 -52.2 -47.8 8.2 53.3 36.1 19 31 A A H >< S+ 0 0 32 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.905 112.9 48.1 -62.5 -46.3 11.2 51.0 35.2 20 32 A R H 3< S+ 0 0 158 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.8 47.6 -61.9 -40.6 8.9 48.2 33.8 21 33 A D H 3< S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.594 114.3 47.0 -80.0 -9.4 6.8 50.7 31.8 22 34 A N S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.801 74.6 55.2 -66.4 -30.8 12.3 49.8 29.0 24 36 A V H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.937 110.1 45.9 -67.0 -45.8 13.5 51.9 26.0 25 37 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 111.7 54.1 -59.1 -39.2 14.4 54.9 28.3 26 38 A A H X S+ 0 0 29 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.920 109.8 46.3 -60.6 -45.6 16.1 52.3 30.6 27 39 A G H X S+ 0 0 43 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.877 109.7 53.8 -64.5 -41.4 18.2 51.0 27.7 28 40 A H H X S+ 0 0 21 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.900 103.0 57.2 -62.2 -41.0 19.1 54.5 26.5 29 41 A H H X S+ 0 0 20 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.926 106.9 49.1 -54.3 -46.5 20.4 55.4 30.0 30 42 A E H < S+ 0 0 99 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.891 113.0 46.8 -63.7 -41.0 22.9 52.5 29.9 31 43 A R H >< S+ 0 0 58 -4,-1.9 3,-2.1 1,-0.2 4,-0.3 0.944 108.1 55.8 -61.8 -49.2 24.1 53.5 26.4 32 44 A A H >X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.3 3,-1.6 0.775 93.5 70.6 -56.4 -31.5 24.5 57.2 27.4 33 45 A R T 3< S+ 0 0 114 -4,-1.5 5,-0.3 1,-0.2 -1,-0.3 0.682 87.8 66.4 -58.6 -21.1 26.8 56.2 30.3 34 46 A R T <4 S+ 0 0 163 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.706 115.8 21.9 -74.8 -19.9 29.5 55.3 27.7 35 47 A S T <4 S+ 0 0 10 -3,-1.6 524,-2.2 -4,-0.3 -2,-0.2 0.595 124.0 42.6-125.7 -20.0 30.0 58.9 26.6 36 48 A M S >< S- 0 0 2 -4,-2.0 3,-2.9 522,-0.2 -1,-0.3 -0.980 96.6 -91.3-129.8 144.7 28.7 61.2 29.4 37 49 A P G > S- 0 0 0 0, 0.0 3,-1.3 0, 0.0 -3,-0.1 -0.356 113.3 -10.7 -57.8 118.8 29.3 60.8 33.2 38 50 A G G 3 S- 0 0 2 -5,-0.3 -5,-0.2 1,-0.2 3,-0.1 0.713 122.9 -70.8 58.5 23.7 26.4 58.7 34.4 39 51 A G G < S+ 0 0 1 -3,-2.9 2,-0.3 -7,-0.5 -1,-0.2 0.770 109.8 119.0 66.7 29.4 24.8 59.3 31.0 40 52 A N < + 0 0 0 -3,-1.3 -1,-0.2 -8,-0.1 3,-0.1 -0.946 39.8 168.3-136.1 142.0 24.3 62.9 32.1 41 53 A T S S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.284 85.7 44.1-131.5 4.8 25.3 66.4 31.0 42 54 A R S > S- 0 0 3 1,-0.1 3,-2.0 694,-0.1 4,-0.4 -0.826 75.0-150.8-152.0 104.3 22.9 68.4 33.2 43 55 A S G > S+ 0 0 21 688,-1.7 3,-1.5 -2,-0.3 689,-0.2 0.777 89.7 62.2 -54.4 -38.8 22.7 67.1 36.8 44 56 A I G 3 S+ 0 0 34 1,-0.3 -1,-0.3 687,-0.0 688,-0.1 0.692 94.9 63.7 -64.2 -20.9 19.1 68.2 37.5 45 57 A L G < S+ 0 0 8 -3,-2.0 2,-0.3 353,-0.1 -1,-0.3 0.719 85.5 92.0 -76.2 -22.6 17.8 65.9 34.7 46 58 A F < + 0 0 29 -3,-1.5 2,-0.3 -4,-0.4 -7,-0.0 -0.558 45.5 152.4 -77.2 136.0 19.0 62.8 36.5 47 59 A H - 0 0 18 -2,-0.3 677,-0.1 352,-0.0 -2,-0.0 -0.965 41.2 -63.1-150.6 154.0 16.8 60.8 38.8 48 60 A R S S+ 0 0 125 -2,-0.3 2,-0.1 1,-0.2 0, 0.0 -0.468 112.2 18.0 -73.1 151.0 16.6 57.2 39.9 49 61 A P S S- 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -33,-0.0 -0.942 131.6 -57.3 -73.5 -27.7 16.0 54.6 38.5 50 62 A F - 0 0 15 -2,-0.1 2,-0.1 -4,-0.0 -24,-0.1 -0.928 56.6 -97.3-165.2 160.3 16.8 56.5 35.3 51 63 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -22,-0.1 -0.492 41.4 -98.8 -83.9 158.4 15.4 59.6 33.6 52 64 A L - 0 0 1 -7,-0.1 486,-0.8 -2,-0.1 2,-0.5 -0.547 29.1-144.4 -69.9 135.7 12.8 59.7 30.9 53 65 A V B -a 538 0A 2 -2,-0.2 12,-2.5 484,-0.1 2,-0.3 -0.934 16.8-146.3-100.2 124.5 14.1 60.1 27.4 54 66 A I E -B 64 0B 2 484,-3.1 486,-0.5 -2,-0.5 10,-0.3 -0.709 15.8-169.9 -94.8 142.2 11.8 62.2 25.2 55 67 A A E - 0 0 51 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.850 66.1 -16.0 -92.4 -46.1 11.3 61.6 21.5 56 68 A Q E -B 63 0B 58 7,-1.4 7,-2.7 479,-0.1 -1,-0.4 -0.989 54.0-166.8-161.7 150.6 9.3 64.7 20.4 57 69 A G E -B 62 0B 1 474,-2.4 2,-0.3 -2,-0.3 5,-0.2 -0.982 4.2-175.5-151.5 146.3 7.1 67.5 21.7 58 70 A T E > -B 61 0B 80 3,-1.4 3,-2.2 -2,-0.3 2,-0.1 -0.995 64.4 -30.0-134.7 137.4 4.7 70.2 20.4 59 71 A G T 3 S- 0 0 15 -2,-0.3 25,-2.7 1,-0.3 27,-0.1 -0.348 128.2 -18.5 60.3-124.4 3.1 73.0 22.3 60 72 A S T 3 S+ 0 0 27 348,-0.3 12,-3.5 23,-0.2 2,-0.3 0.404 123.5 81.5 -92.2 1.7 2.6 71.9 26.0 61 73 A R E < +BC 58 71B 114 -3,-2.2 -3,-1.4 10,-0.2 2,-0.3 -0.791 48.2 177.1-116.5 149.4 2.9 68.2 25.3 62 74 A F E -BC 57 70B 0 8,-2.1 8,-2.5 -2,-0.3 2,-0.4 -0.969 17.4-142.3-141.3 163.4 5.7 65.6 24.8 63 75 A Q E -BC 56 69B 63 -7,-2.7 -8,-2.8 -2,-0.3 -7,-1.4 -0.989 17.3-137.8-125.8 132.2 6.0 61.9 24.2 64 76 A D E > -B 54 0B 4 4,-2.4 3,-1.8 -2,-0.4 -10,-0.3 -0.276 34.3 -98.3 -80.2 173.1 8.7 59.7 25.6 65 77 A V T 3 S+ 0 0 47 -12,-2.5 -11,-0.1 1,-0.3 -1,-0.1 0.515 122.8 60.0 -73.0 -5.1 10.6 56.9 23.7 66 78 A D T 3 S- 0 0 36 -13,-0.3 -1,-0.3 2,-0.1 -12,-0.1 0.292 121.7-104.4-102.2 7.3 8.2 54.3 25.3 67 79 A G S < S+ 0 0 65 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.504 72.9 139.3 88.7 5.7 5.2 56.0 23.7 68 80 A H - 0 0 66 1,-0.0 -4,-2.4 2,-0.0 2,-0.3 -0.675 41.1-143.3 -84.6 137.9 3.7 57.8 26.8 69 81 A A E -C 63 0B 42 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.759 20.5-179.9-101.0 147.8 2.3 61.3 26.4 70 82 A Y E -C 62 0B 7 -8,-2.5 -8,-2.1 -2,-0.3 2,-0.5 -0.983 31.3-125.5-141.4 150.4 2.6 64.1 29.0 71 83 A V E -Cd 61 395B 10 323,-2.3 325,-2.8 -2,-0.3 2,-1.1 -0.875 36.5-128.9 -90.1 129.6 1.6 67.7 29.6 72 84 A N E + d 0 396B 6 -12,-3.5 334,-0.3 -2,-0.5 325,-0.2 -0.704 40.8 160.7 -88.7 98.5 4.8 69.5 30.5 73 85 A F + 0 0 0 323,-2.8 331,-2.7 -2,-1.1 324,-0.2 0.532 69.1 72.1 -88.7 -9.9 4.3 71.5 33.7 74 86 A L S >> S- 0 0 1 322,-0.9 4,-0.8 329,-0.2 3,-0.6 0.907 75.1-167.3 -70.7 -43.8 8.1 71.8 34.2 75 87 A G G >4> - 0 0 2 1,-0.2 5,-2.6 2,-0.2 3,-1.1 0.908 67.3 -63.2 56.8 43.4 8.5 74.3 31.4 76 88 A E G >45S- 0 0 12 1,-0.3 3,-2.0 3,-0.2 -1,-0.2 0.847 94.8 -59.3 49.6 45.8 12.3 73.9 31.4 77 89 A Y G <45S- 0 0 9 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.863 109.9 -43.7 52.9 42.2 12.6 75.3 34.9 78 90 A T G X<5S+ 0 0 0 -3,-1.1 3,-0.5 -4,-0.8 -1,-0.3 0.048 130.1 90.8 91.4 -18.5 11.0 78.6 33.8 79 91 A A T < 5S+ 0 0 0 -3,-2.0 2,-0.6 1,-0.2 3,-0.4 0.784 73.7 69.8 -73.5 -25.9 13.0 78.9 30.5 80 92 A G T > < + 0 0 2 -5,-2.6 3,-1.5 1,-0.2 -1,-0.2 -0.138 56.5 134.6 -91.1 40.4 10.3 77.0 28.6 81 93 A L T < + 0 0 0 -2,-0.6 326,-3.0 -3,-0.5 327,-0.3 0.719 69.6 51.9 -57.6 -26.3 7.7 79.8 28.8 82 94 A F T 3 S- 0 0 2 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.410 105.3-125.1 -99.1 2.5 6.8 79.4 25.1 83 95 A G < - 0 0 4 -3,-1.5 3,-0.4 1,-0.2 -1,-0.3 -0.291 45.3 -56.5 75.5-168.4 6.2 75.7 24.9 84 96 A H S S+ 0 0 4 -25,-2.7 449,-2.8 1,-0.2 -1,-0.2 0.605 128.2 16.7 -86.1 -14.4 7.9 73.3 22.5 85 97 A S + 0 0 51 -3,-0.4 -1,-0.2 447,-0.2 -2,-0.1 -0.193 69.0 178.0-158.7 49.8 7.0 74.9 19.2 86 98 A H > - 0 0 30 -3,-0.4 4,-2.5 1,-0.1 3,-0.2 -0.446 24.6-144.3 -64.5 128.1 5.8 78.5 19.5 87 99 A P H > S+ 0 0 97 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.804 98.7 53.6 -65.7 -28.9 5.1 79.9 16.0 88 100 A V H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.843 110.7 46.4 -74.9 -34.4 6.3 83.4 16.9 89 101 A I H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 110.3 53.8 -67.9 -45.4 9.6 82.0 18.2 90 102 A R H X S+ 0 0 97 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 108.2 50.1 -55.2 -43.5 9.8 79.9 15.0 91 103 A A H X S+ 0 0 32 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.871 108.7 51.9 -61.4 -40.8 9.4 83.1 12.9 92 104 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.877 109.4 50.3 -61.7 -39.8 12.1 84.8 14.9 93 105 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 110.1 49.9 -63.5 -45.7 14.4 81.9 14.2 94 106 A E H X S+ 0 0 88 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.918 111.1 49.4 -59.7 -44.1 13.6 82.1 10.5 95 107 A R H X S+ 0 0 107 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.893 109.7 52.1 -60.1 -40.5 14.4 85.8 10.5 96 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.904 108.0 50.5 -64.4 -42.7 17.7 85.2 12.3 97 109 A L H < S+ 0 0 21 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.865 108.0 53.5 -63.0 -36.5 18.7 82.6 9.7 98 110 A A H < S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 391,-0.2 0.819 108.5 49.7 -69.3 -33.0 17.9 85.1 6.9 99 111 A V H < S- 0 0 25 -4,-1.6 390,-2.5 -5,-0.1 -2,-0.2 0.929 121.5-109.4 -68.5 -46.7 20.2 87.7 8.6 100 112 A G < - 0 0 1 -4,-2.4 3,-0.4 388,-0.2 2,-0.2 -0.129 20.7-103.6 124.3 141.4 23.0 85.1 8.9 101 113 A L S S+ 0 0 13 415,-2.6 605,-0.1 -4,-0.2 205,-0.0 -0.597 92.8 8.9 -91.1 152.7 24.8 83.1 11.5 102 114 A N + 0 0 13 603,-0.3 406,-0.2 -2,-0.2 -1,-0.2 0.822 68.7 166.5 54.4 41.0 28.3 83.7 13.0 103 115 A L - 0 0 6 -3,-0.4 -1,-0.1 2,-0.1 404,-0.1 0.550 38.5-138.2 -70.8 -8.2 28.6 87.1 11.3 104 116 A S S S+ 0 0 1 1,-0.2 2,-0.3 198,-0.1 -1,-0.1 0.631 73.3 68.6 69.2 17.3 31.6 88.0 13.5 105 117 A T S S- 0 0 6 200,-0.1 2,-0.2 378,-0.0 -1,-0.2 -0.911 91.9 -75.1-154.6 170.3 30.3 91.5 14.0 106 118 A Q B -e 485 0C 12 378,-0.7 380,-3.0 -2,-0.3 2,-0.3 -0.528 39.4-164.7 -75.4 143.5 27.5 93.5 15.6 107 119 A T >> - 0 0 11 378,-0.2 3,-1.1 -2,-0.2 4,-0.6 -0.866 34.4-112.2-119.1 162.5 24.0 93.6 14.1 108 120 A E H 3> S+ 0 0 51 378,-0.5 4,-2.1 -2,-0.3 3,-0.4 0.768 109.4 76.6 -59.4 -28.0 21.2 96.0 14.9 109 121 A N H 3> S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.826 88.4 57.7 -56.0 -34.4 19.3 93.1 16.5 110 122 A E H <> S+ 0 0 3 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.922 108.1 44.9 -56.8 -50.7 21.6 93.4 19.6 111 123 A A H X S+ 0 0 13 -4,-0.6 4,-2.5 -3,-0.4 -2,-0.2 0.896 111.8 52.4 -66.7 -41.9 20.6 97.0 20.2 112 124 A L H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.900 112.0 45.6 -60.7 -45.5 16.9 96.3 19.6 113 125 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.923 112.2 51.5 -62.1 -46.5 16.9 93.4 22.2 114 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.883 109.2 50.8 -60.4 -39.7 18.9 95.5 24.7 115 127 A E H X S+ 0 0 54 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.914 108.2 52.7 -62.3 -43.5 16.4 98.4 24.3 116 128 A A H X S+ 0 0 9 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.900 111.8 46.0 -59.1 -42.4 13.5 95.9 24.9 117 129 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.949 114.9 45.9 -64.8 -49.9 15.3 94.7 28.1 118 130 A C H < S+ 0 0 24 -4,-2.7 6,-0.2 1,-0.2 -2,-0.2 0.879 108.1 58.5 -63.0 -37.6 16.0 98.3 29.4 119 131 A D H < S+ 0 0 138 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.5 32.3 -58.8 -42.0 12.4 99.5 28.5 120 132 A R H < S+ 0 0 16 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.699 103.3 73.7 -99.6 -18.3 10.7 97.0 30.8 121 133 A F >< - 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0 0 58 -2,-1.6 4,-2.0 -4,-0.1 5,-0.1 -0.139 54.0 -95.2 -65.2 170.9 4.5 91.7 26.9 323 335 A R H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -73,-0.3 0.923 129.5 48.9 -56.2 -45.4 4.2 93.4 30.3 324 336 A Q H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 107.5 54.2 -61.5 -42.0 0.4 92.8 30.2 325 337 A A H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 107.6 52.2 -58.6 -38.0 1.0 89.1 29.3 326 338 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 109.8 47.2 -64.7 -46.3 3.2 88.8 32.4 327 339 A S H X S+ 0 0 52 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 114.1 48.6 -59.2 -46.3 0.6 90.3 34.7 328 340 A D H X S+ 0 0 92 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.900 112.2 47.2 -61.7 -45.3 -2.1 88.0 33.2 329 341 A L H X S+ 0 0 17 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.890 111.2 51.2 -67.4 -39.8 0.1 84.8 33.5 330 342 A S H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.902 110.7 49.1 -62.8 -41.5 1.0 85.7 37.1 331 343 A A H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 111.4 49.6 -60.8 -45.8 -2.7 86.1 38.0 332 344 A S H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.916 112.1 48.2 -57.2 -47.0 -3.5 82.8 36.3 333 345 A G H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.856 109.1 53.1 -62.5 -39.1 -0.7 81.1 38.3 334 346 A D H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.900 110.5 46.9 -64.5 -42.8 -1.9 82.7 41.5 335 347 A R H X S+ 0 0 162 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 113.9 49.3 -62.8 -45.2 -5.4 81.3 40.9 336 348 A F H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 113.2 44.4 -56.5 -53.9 -3.9 77.9 40.1 337 349 A R H X S+ 0 0 38 -4,-3.0 4,-2.3 20,-0.3 -1,-0.2 0.877 111.7 54.3 -63.0 -38.0 -1.7 77.7 43.2 338 350 A A H X S+ 0 0 59 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.905 108.7 49.1 -61.8 -43.2 -4.6 79.0 45.4 339 351 A N H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.908 109.2 51.8 -60.3 -47.1 -6.8 76.1 44.0 340 352 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.919 112.4 45.7 -55.3 -46.7 -4.1 73.5 44.7 341 353 A N H X S+ 0 0 43 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.886 109.3 55.6 -65.5 -39.1 -3.8 74.8 48.3 342 354 A R H X S+ 0 0 112 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.900 106.5 51.2 -56.1 -44.9 -7.6 74.8 48.6 343 355 A I H X S+ 0 0 13 -4,-2.4 4,-1.1 2,-0.2 6,-0.2 0.910 111.2 48.1 -59.8 -44.7 -7.6 71.1 47.6 344 356 A A H ><>S+ 0 0 2 -4,-1.9 5,-2.6 2,-0.2 3,-0.6 0.951 114.0 45.8 -58.7 -51.9 -5.0 70.3 50.3 345 357 A V H ><5S+ 0 0 111 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.873 110.6 52.9 -62.2 -41.4 -6.8 72.2 53.0 346 358 A E H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.727 114.8 42.3 -67.0 -23.7 -10.2 70.7 52.1 347 359 A N T <<5S- 0 0 59 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.292 108.8-123.4-104.1 7.5 -8.7 67.2 52.4 348 360 A Q T < 5 + 0 0 162 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.758 52.5 169.9 54.1 31.7 -6.7 68.0 55.6 349 361 A A < - 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0 0 1 -2,-0.6 6,-0.2 -324,-0.2 -323,-0.1 -0.834 55.6 -64.4-130.6 178.2 6.9 68.3 36.6 398 410 A A > - 0 0 0 4,-2.1 3,-2.1 -2,-0.3 -1,-0.1 -0.249 40.4-121.4 -58.5 145.3 10.3 68.4 38.2 399 411 A P T 3 S+ 0 0 32 0, 0.0 -12,-0.2 0, 0.0 -1,-0.1 0.863 117.1 58.3 -50.1 -36.1 11.4 65.5 40.4 400 412 A R T 3 S- 0 0 92 2,-0.1 -2,-0.1 1,-0.1 -16,-0.1 0.386 124.5-105.7 -79.1 3.1 11.7 68.1 43.2 401 413 A G S < S+ 0 0 1 -3,-2.1 -39,-2.1 1,-0.3 2,-0.4 0.707 71.4 141.8 84.7 23.4 8.0 69.0 42.7 402 414 A M E -O 361 0G 0 -41,-0.2 -4,-2.1 -189,-0.0 2,-0.3 -0.806 27.7-171.9 -98.5 135.0 8.4 72.4 40.9 403 415 A Y E -O 360 0G 0 -43,-2.9 -43,-1.9 -2,-0.4 2,-0.3 -0.891 8.9-169.4-113.6 155.8 6.1 73.6 38.1 404 416 A A E -O 359 0G 0 -331,-2.7 -326,-0.2 -2,-0.3 -45,-0.2 -0.852 27.7-131.5-142.0 102.6 6.6 76.7 36.0 405 417 A L - 0 0 2 -47,-2.5 2,-0.1 -2,-0.3 -332,-0.1 -0.364 18.8-152.6 -63.6 123.1 3.5 77.4 33.9 406 418 A S > - 0 0 5 -334,-0.3 3,-0.9 -2,-0.2 -324,-0.2 -0.407 31.4-106.3 -79.7 168.6 4.2 78.0 30.2 407 419 A L T 3 S+ 0 0 52 -326,-3.0 -325,-0.1 1,-0.2 -326,-0.1 0.544 118.0 64.5 -69.8 -8.3 1.9 80.1 28.1 408 420 A E T 3 S+ 0 0 73 -327,-0.3 2,-0.3 -349,-0.1 -348,-0.3 0.588 74.2 103.5 -95.2 -12.9 0.7 76.9 26.5 409 421 A I < + 0 0 11 -3,-0.9 2,-0.2 -350,-0.1 -350,-0.0 -0.575 52.8 175.6 -68.9 127.6 -0.9 75.4 29.6 410 422 A A > - 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0 0 69 1,-0.1 4,-1.6 0, 0.0 5,-0.1 -0.836 360.0-122.7-137.2 159.5 56.2 107.2 15.6 437 17 B A H > S+ 0 0 78 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.842 113.2 56.6 -69.4 -34.9 54.3 110.5 14.8 438 18 B E H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 108.2 45.8 -62.9 -43.9 54.1 109.5 11.2 439 19 B K H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 111.0 54.0 -68.6 -34.9 52.4 106.2 12.0 440 20 B A H X S+ 0 0 47 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.886 109.3 47.7 -65.4 -39.3 50.1 108.1 14.4 441 21 B Q H X S+ 0 0 155 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.856 110.0 52.5 -68.6 -37.8 49.1 110.5 11.6 442 22 B A H X S+ 0 0 25 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.878 109.3 49.9 -63.9 -38.4 48.5 107.6 9.3 443 23 B I H X S+ 0 0 13 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.921 108.8 51.3 -67.0 -45.0 46.2 106.0 11.9 444 24 B A H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.902 112.1 48.3 -55.5 -43.0 44.2 109.3 12.3 445 25 B A H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.900 112.3 46.9 -65.4 -43.6 43.8 109.4 8.5 446 26 B A H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.893 112.4 49.8 -67.0 -42.1 42.6 105.8 8.3 447 27 B R H X S+ 0 0 76 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.906 111.9 49.2 -61.1 -42.2 40.2 106.2 11.2 448 28 B N H X S+ 0 0 103 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.853 111.3 48.4 -66.2 -37.2 38.8 109.3 9.5 449 29 B T H X S+ 0 0 36 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 111.4 50.4 -68.4 -44.4 38.4 107.6 6.2 450 30 B F H X S+ 0 0 10 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.931 111.9 48.2 -57.0 -46.5 36.7 104.6 7.9 451 31 B A H < S+ 0 0 30 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.915 112.4 47.8 -60.7 -45.2 34.3 107.1 9.6 452 32 B R H < S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 112.8 49.7 -61.7 -40.2 33.6 109.0 6.4 453 33 B D H < S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.783 116.8 42.5 -66.4 -29.2 32.9 105.6 4.6 454 34 B N X + 0 0 2 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.2 -0.339 57.0 140.9-125.8 50.2 30.5 104.5 7.4 455 35 B P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.810 77.4 56.3 -64.6 -30.0 28.1 107.1 8.6 456 36 B V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.964 107.8 47.7 -66.0 -48.5 25.2 104.7 9.0 457 37 B S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 110.2 54.5 -53.4 -40.3 27.3 102.4 11.3 458 38 B A H X S+ 0 0 25 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 107.1 49.4 -61.4 -42.4 28.2 105.6 13.2 459 39 B G H X S+ 0 0 17 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.913 109.5 52.0 -61.4 -43.9 24.5 106.5 13.7 460 40 B H H X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.884 106.5 54.4 -56.9 -43.7 23.8 102.9 14.9 461 41 B H H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 105.3 52.1 -60.0 -46.9 26.6 103.2 17.5 462 42 B E H < S+ 0 0 107 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.894 114.2 43.4 -58.2 -42.1 25.2 106.4 19.0 463 43 B R H >< S+ 0 0 37 -4,-1.7 3,-1.6 1,-0.2 4,-0.3 0.905 110.3 55.4 -68.2 -42.2 21.8 104.7 19.4 464 44 B A H >X S+ 0 0 8 -4,-2.8 4,-1.9 1,-0.3 3,-1.6 0.826 95.2 68.0 -62.2 -32.1 23.3 101.5 20.8 465 45 B R T 3< S+ 0 0 72 -4,-2.0 5,-0.3 1,-0.3 -1,-0.3 0.668 88.7 67.7 -58.6 -19.6 25.2 103.4 23.5 466 46 B R T <4 S+ 0 0 163 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.671 115.1 22.1 -77.8 -18.4 21.8 104.2 25.1 467 47 B S T <4 S+ 0 0 2 -3,-1.6 -340,-2.5 1,-0.3 -2,-0.2 0.574 124.6 42.8-124.4 -19.8 21.1 100.5 26.1 468 48 B M S >< S- 0 0 2 -4,-1.9 3,-2.8 -342,-0.2 -1,-0.3 -0.984 94.3 -95.9-129.8 143.9 24.5 98.8 26.2 469 49 B P G > S- 0 0 2 0, 0.0 3,-1.4 0, 0.0 -3,-0.1 -0.397 113.2 -7.0 -60.2 121.5 27.8 100.2 27.7 470 50 B G G 3 S- 0 0 2 -5,-0.3 -5,-0.2 1,-0.3 3,-0.1 0.731 121.9 -75.2 59.3 23.9 29.7 101.7 24.8 471 51 B G G < S+ 0 0 0 -3,-2.8 2,-0.3 -7,-0.4 -1,-0.3 0.797 107.5 124.9 59.9 32.6 26.9 100.2 22.6 472 52 B N < + 0 0 0 -3,-1.4 -1,-0.2 -8,-0.1 3,-0.1 -0.930 42.1 169.3-134.5 139.4 28.7 96.9 23.2 473 53 B T S S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.276 85.6 41.6-127.4 7.6 27.9 93.4 24.5 474 54 B R S > S- 0 0 4 1,-0.1 3,-2.3 -170,-0.1 4,-0.4 -0.801 75.5-148.3-157.0 103.8 31.1 91.6 23.5 475 55 B S G > S+ 0 0 23 -176,-2.4 3,-1.6 1,-0.3 -175,-0.1 0.782 91.7 63.0 -54.8 -36.9 34.3 93.7 24.1 476 56 B I G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -177,-0.1 -176,-0.1 0.690 94.1 64.9 -64.8 -18.5 36.3 92.3 21.2 477 57 B L G < S+ 0 0 10 -3,-2.3 2,-0.3 353,-0.1 -1,-0.3 0.699 84.8 90.2 -77.6 -21.2 33.8 93.7 18.7 478 58 B F < + 0 0 29 -3,-1.6 2,-0.3 -4,-0.4 -7,-0.0 -0.615 47.7 154.5 -76.2 136.3 34.5 97.3 19.7 479 59 B H - 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0 0 32 689,-0.0 -4,-2.6 1,-0.0 2,-0.3 -0.568 39.7-141.2 -75.1 138.6 29.7 97.8 1.6 501 81 B A E +Q 495 0H 47 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.773 21.9 178.4-102.2 147.9 30.4 94.1 1.0 502 82 B Y E -Q 494 0H 12 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.5 -0.970 32.1-121.1-140.0 155.8 33.2 92.0 2.5 503 83 B V E -Qr 493 827H 35 323,-2.4 325,-2.9 -2,-0.3 2,-1.2 -0.889 36.1-127.9 -91.5 130.9 34.7 88.5 2.5 504 84 B N E + r 0 828H 5 -12,-3.7 334,-0.3 -2,-0.5 325,-0.1 -0.667 41.9 159.4 -87.0 92.3 34.7 87.3 6.1 505 85 B F + 0 0 0 323,-2.2 331,-3.0 -2,-1.2 324,-0.2 0.562 68.3 70.3 -81.9 -11.1 38.2 86.0 7.0 506 86 B L S >> S- 0 0 1 322,-0.9 4,-0.9 329,-0.2 3,-0.6 0.891 75.2-167.2 -74.6 -40.8 37.5 86.3 10.7 507 87 B G G >4> - 0 0 2 1,-0.2 5,-2.4 2,-0.2 3,-1.0 0.896 67.6 -61.0 54.3 46.7 35.0 83.4 10.8 508 88 B E G >45S- 0 0 11 1,-0.3 3,-2.3 3,-0.2 -1,-0.2 0.840 95.1 -60.8 49.9 46.4 33.7 84.3 14.3 509 89 B Y G <45S- 0 0 11 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.879 110.0 -43.3 48.7 45.7 37.2 83.8 15.9 510 90 B T G <<5S+ 0 0 0 -3,-1.0 3,-0.5 -4,-0.9 191,-0.3 0.068 130.4 90.9 86.7 -17.8 37.1 80.1 14.7 511 91 B A T < 5S+ 0 0 0 -3,-2.3 2,-0.6 1,-0.2 3,-0.3 0.752 74.1 68.7 -72.7 -24.2 33.4 79.4 15.7 512 92 B G > < + 0 0 3 -5,-2.4 3,-1.5 1,-0.2 -1,-0.2 -0.166 57.2 135.7 -96.4 43.6 32.1 80.5 12.3 513 93 B L T 3 + 0 0 0 -2,-0.6 326,-3.1 -3,-0.5 327,-0.3 0.681 68.7 53.2 -62.6 -23.5 33.6 77.5 10.4 514 94 B F T 3 S- 0 0 3 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.373 105.7-125.4 -97.9 5.2 30.4 76.9 8.4 515 95 B G < - 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