==== 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 LYASE 08-JUL-09 3I7S . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR R.C.J.DOBSON,G.B.JAMESON,J.A.GERRARD,T.P.SOARES DA COSTA . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 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 . 35 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 2 2 1 3 2 0 1 5 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 M 0 0 119 0, 0.0 3,-0.0 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 143.1 -10.0 22.9 -8.9 2 2 A F + 0 0 46 198,-0.0 2,-0.3 36,-0.0 198,-0.1 -0.391 360.0 77.6-114.5 46.3 -7.5 24.8 -6.8 3 3 A T S S+ 0 0 54 2,-0.1 198,-0.2 179,-0.1 2,-0.1 -0.890 77.8 23.5-148.6 161.1 -5.4 21.7 -7.2 4 4 A G E S-a 201 0A 8 196,-1.8 198,-2.3 -2,-0.3 2,-0.7 -0.349 109.5 -10.0 75.5-151.8 -3.3 20.1 -10.0 5 5 A S E -a 202 0A 1 30,-0.3 32,-2.7 196,-0.2 33,-0.8 -0.766 63.3-175.7 -94.2 112.7 -1.7 22.1 -12.8 6 6 A I E -ab 203 38A 0 196,-3.0 198,-3.9 -2,-0.7 2,-0.4 -0.937 17.8-138.0-108.7 127.5 -2.9 25.7 -13.0 7 7 A V E -ab 204 39A 0 31,-2.0 33,-3.3 -2,-0.5 2,-1.1 -0.712 5.6-149.5 -87.2 131.3 -1.7 27.8 -15.9 8 8 A A E - b 0 40A 9 196,-2.8 200,-0.1 -2,-0.4 33,-0.1 -0.848 40.0-144.5 -90.4 94.8 -0.7 31.4 -15.4 9 9 A I - 0 0 1 31,-1.6 33,-0.4 -2,-1.1 34,-0.4 -0.335 3.3-122.0 -79.7 140.6 -1.8 32.2 -18.9 10 10 A V - 0 0 1 195,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.342 20.8-126.2 -65.6 155.9 -0.1 34.7 -21.2 11 11 A T - 0 0 3 34,-0.5 -1,-0.1 30,-0.1 2,-0.0 -0.887 30.4-143.4-101.0 96.8 -2.2 37.6 -22.5 12 12 A P - 0 0 1 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.363 22.5-168.4 -66.1 139.0 -1.7 37.1 -26.3 13 13 A M B -I 19 0B 2 251,-0.4 253,-0.4 253,-0.3 251,-0.3 -0.873 20.0-123.6-128.1 156.5 -1.5 40.5 -28.1 14 14 A D > - 0 0 54 4,-2.6 3,-2.3 -2,-0.3 6,-0.1 -0.288 52.5 -83.4 -81.2 179.1 -1.5 41.7 -31.6 15 15 A E T 3 S+ 0 0 166 1,-0.3 252,-0.1 2,-0.1 -1,-0.0 0.644 131.0 59.9 -63.6 -14.3 1.3 43.9 -33.0 16 16 A K T 3 S- 0 0 176 2,-0.2 -1,-0.3 250,-0.1 3,-0.1 0.517 117.9-111.0 -87.6 -8.3 -0.4 46.9 -31.4 17 17 A G S < S+ 0 0 4 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.600 76.6 128.9 87.1 11.1 -0.2 45.4 -27.9 18 18 A N S S- 0 0 73 1,-0.1 -4,-2.6 -4,-0.0 -1,-0.3 -0.754 71.0 -82.1-100.9 151.1 -3.9 44.8 -27.6 19 19 A V B -I 13 0B 50 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.3 -0.172 37.8-140.1 -55.4 134.3 -5.5 41.5 -26.6 20 20 A C > - 0 0 23 -8,-2.6 4,-2.8 1,-0.2 3,-0.3 -0.854 11.8-165.9-102.7 102.6 -5.8 39.0 -29.5 21 21 A R H > S+ 0 0 128 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.872 85.7 50.4 -55.2 -47.6 -9.1 37.2 -29.2 22 22 A A H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.837 112.8 46.7 -65.1 -36.0 -8.3 34.4 -31.7 23 23 A S H > S+ 0 0 7 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.931 112.2 50.1 -71.4 -46.3 -5.0 33.6 -29.9 24 24 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.973 110.9 49.7 -51.3 -57.7 -6.7 33.7 -26.5 25 25 A K H X S+ 0 0 82 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.899 110.6 50.4 -48.4 -47.1 -9.4 31.3 -27.8 26 26 A K H X S+ 0 0 114 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.933 109.7 50.4 -59.2 -45.2 -6.8 29.0 -29.2 27 27 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.903 111.7 47.5 -61.6 -41.7 -4.9 29.0 -25.9 28 28 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.892 110.7 50.3 -67.7 -41.0 -8.0 28.1 -23.9 29 29 A D H X S+ 0 0 61 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.947 109.1 54.9 -59.0 -45.1 -9.1 25.3 -26.2 30 30 A Y H X S+ 0 0 51 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.866 109.8 44.4 -57.2 -41.2 -5.6 24.0 -25.9 31 31 A H H X>S+ 0 0 0 -4,-1.6 5,-1.4 2,-0.2 4,-0.7 0.811 111.1 53.1 -76.9 -32.0 -5.9 23.9 -22.0 32 32 A V H ><5S+ 0 0 51 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.915 113.5 44.3 -63.8 -42.4 -9.3 22.4 -22.1 33 33 A A H 3<5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.706 112.6 53.0 -74.5 -23.5 -8.0 19.6 -24.3 34 34 A S H 3<5S- 0 0 24 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.454 111.2-109.7 -95.4 -9.9 -4.8 19.1 -22.3 35 35 A G T <<5 + 0 0 46 -4,-0.7 -30,-0.3 -3,-0.6 -3,-0.2 0.547 53.5 166.4 89.7 7.6 -6.3 18.6 -18.8 36 36 A T < - 0 0 10 -5,-1.4 -1,-0.2 -6,-0.2 -30,-0.2 -0.301 32.4-142.3 -51.3 136.9 -5.1 21.9 -17.2 37 37 A S - 0 0 21 -32,-2.7 2,-0.3 1,-0.3 -31,-0.2 0.819 66.9 -17.1 -82.6 -31.3 -7.1 22.2 -14.0 38 38 A A E -b 6 0A 0 -33,-0.8 -31,-2.0 33,-0.1 2,-0.5 -0.973 59.4-117.5-168.5 160.8 -7.7 26.0 -14.1 39 39 A I E -bc 7 73A 0 33,-2.7 35,-4.1 -2,-0.3 2,-0.7 -0.936 10.4-152.4-110.6 127.7 -6.6 29.3 -15.7 40 40 A V E -bc 8 74A 1 -33,-3.3 -31,-1.6 -2,-0.5 2,-0.5 -0.905 23.7-153.6 -92.5 115.2 -5.2 32.2 -13.8 41 41 A S E - c 0 75A 0 33,-3.3 35,-2.6 -2,-0.7 60,-0.2 -0.826 65.3 -3.5 -98.2 126.8 -6.2 35.2 -16.0 42 42 A V S S+ 0 0 1 -2,-0.5 -1,-0.2 -33,-0.4 2,-0.1 0.934 87.2 139.3 55.6 52.6 -4.0 38.4 -15.9 43 43 A G S >S- 0 0 10 -3,-0.4 5,-1.9 -34,-0.4 3,-0.3 -0.145 77.6 -63.9 -88.2-157.4 -1.4 37.4 -13.3 44 44 A T T > 5S+ 0 0 16 1,-0.2 3,-1.9 3,-0.2 5,-0.2 0.936 139.6 49.4 -56.9 -49.4 2.3 38.3 -13.7 45 45 A T T 3 5S+ 0 0 5 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.735 107.6 56.6 -65.5 -24.1 2.7 36.0 -16.8 46 46 A G T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -36,-0.3 -2,-0.2 0.107 119.7-112.0 -92.9 17.5 -0.5 37.7 -18.3 47 47 A E T X>5 + 0 0 7 -3,-1.9 3,-1.4 1,-0.1 4,-0.7 0.804 53.0 166.3 56.4 42.7 1.2 41.1 -17.9 48 48 A S G >4 - 0 0 55 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.337 36.6 -95.8 -77.3 172.0 -4.9 49.2 -16.9 53 53 A H H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.826 125.1 49.9 -62.9 -29.5 -7.8 48.0 -14.7 54 54 A D H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.936 113.3 44.5 -72.4 -45.1 -10.3 48.2 -17.6 55 55 A E H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 114.1 53.0 -62.5 -41.4 -8.1 46.2 -20.0 56 56 A H H X S+ 0 0 6 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.945 110.0 45.5 -56.9 -54.7 -7.4 43.8 -17.2 57 57 A A H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.917 110.7 55.2 -60.5 -39.4 -11.1 43.3 -16.5 58 58 A D H X S+ 0 0 103 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.894 108.3 47.8 -58.1 -44.0 -11.8 42.9 -20.3 59 59 A V H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.890 111.3 50.8 -67.6 -39.1 -9.2 40.1 -20.6 60 60 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 114.8 42.1 -62.5 -44.9 -10.6 38.3 -17.6 61 61 A M H X S+ 0 0 65 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.869 114.4 51.0 -74.9 -36.1 -14.2 38.4 -18.9 62 62 A M H X S+ 0 0 38 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.939 111.7 48.9 -59.5 -44.9 -13.1 37.5 -22.4 63 63 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 111.6 49.2 -62.4 -41.1 -11.2 34.6 -20.9 64 64 A L H X>S+ 0 0 33 -4,-2.2 4,-1.7 2,-0.2 5,-0.5 0.934 111.6 48.1 -66.8 -47.6 -14.2 33.5 -18.9 65 65 A D H <5S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.0 48.3 -59.0 -39.8 -16.5 33.7 -21.9 66 66 A L H <5S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.842 105.1 58.2 -73.2 -31.3 -14.1 31.7 -24.1 67 67 A A H ><5S- 0 0 1 -4,-2.1 3,-2.0 -5,-0.2 -1,-0.2 0.901 87.0-168.3 -60.8 -39.1 -13.7 29.1 -21.3 68 68 A D T 3<5 - 0 0 125 -4,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.883 66.9 -55.9 53.4 43.1 -17.5 28.7 -21.7 69 69 A G T 3 S- 0 0 7 1,-0.1 4,-2.3 482,-0.1 3,-0.3 -0.983 78.9-143.4-111.1 128.2 -3.2 50.0 -2.5 82 82 A T H > S+ 0 0 3 480,-1.1 4,-2.5 -2,-0.5 5,-0.2 0.892 100.5 52.4 -60.4 -41.2 -5.9 48.3 -0.5 83 83 A A H > S+ 0 0 72 479,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.879 111.3 47.2 -60.7 -39.6 -8.7 50.5 -1.9 84 84 A E H > S+ 0 0 79 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.869 110.4 52.1 -71.0 -36.0 -7.6 49.6 -5.4 85 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.925 111.3 47.9 -63.2 -42.1 -7.4 45.9 -4.7 86 86 A I H X S+ 0 0 26 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 112.8 48.4 -63.0 -47.8 -11.0 46.0 -3.3 87 87 A S H X S+ 0 0 46 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.866 111.6 48.1 -64.3 -40.9 -12.2 47.9 -6.3 88 88 A L H >< S+ 0 0 1 -4,-2.6 3,-0.6 2,-0.2 4,-0.5 0.915 111.8 50.9 -64.6 -42.1 -10.6 45.5 -8.8 89 89 A T H >< S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.913 102.8 59.9 -58.3 -45.6 -12.0 42.5 -7.0 90 90 A Q H >< S+ 0 0 96 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.754 91.0 68.8 -59.4 -26.9 -15.5 44.0 -7.0 91 91 A R T << S+ 0 0 101 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.806 104.2 44.6 -57.5 -28.8 -15.4 44.0 -10.8 92 92 A F T X S+ 0 0 1 -3,-2.1 3,-1.6 -4,-0.5 5,-0.4 0.320 78.9 124.1-103.7 4.2 -15.6 40.2 -10.6 93 93 A N T < S+ 0 0 49 -3,-1.1 33,-0.0 -4,-0.3 -3,-0.0 -0.493 90.9 2.4 -64.1 133.8 -18.3 39.7 -8.0 94 94 A D T 3 S+ 0 0 167 -2,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.751 101.4 121.2 56.1 30.2 -21.0 37.5 -9.4 95 95 A S S < S- 0 0 32 -3,-1.6 -2,-0.1 2,-0.1 3,-0.1 0.788 84.5-105.3 -91.8 -28.9 -19.0 37.2 -12.7 96 96 A G S S+ 0 0 51 1,-0.5 -23,-0.3 -4,-0.4 -3,-0.1 0.151 76.8 131.1 111.8 -15.0 -18.4 33.5 -13.0 97 97 A I - 0 0 9 -5,-0.4 -1,-0.5 1,-0.1 -23,-0.2 -0.411 53.7-143.3 -67.0 150.8 -14.8 33.5 -11.9 98 98 A V - 0 0 57 -25,-2.3 2,-0.3 1,-0.2 -24,-0.2 0.652 67.1 -25.8 -93.8 -11.4 -14.2 30.8 -9.2 99 99 A G E -d 74 0A 0 -26,-0.6 -24,-2.1 29,-0.1 2,-0.4 -0.974 61.4-101.2 177.4 176.5 -11.7 32.8 -7.2 100 100 A C E -de 75 130A 0 29,-2.5 31,-2.8 -2,-0.3 2,-0.7 -0.929 11.6-147.2-122.9 140.9 -9.0 35.5 -7.1 101 101 A L E -de 76 131A 10 -26,-3.0 -24,-2.6 -2,-0.4 2,-0.6 -0.940 27.0-173.4-105.8 113.5 -5.2 35.4 -7.0 102 102 A T E - e 0 132A 1 29,-2.4 31,-1.7 -2,-0.7 2,-0.1 -0.907 10.6-148.4-121.3 109.7 -4.2 38.3 -5.0 103 103 A V E - e 0 133A 8 -2,-0.6 -24,-0.5 29,-0.2 31,-0.2 -0.349 28.7 -99.6 -73.1 148.0 -0.5 39.4 -4.6 104 104 A T - 0 0 0 29,-1.9 37,-0.1 1,-0.1 -1,-0.1 -0.426 59.9 -81.0 -57.8 139.0 1.1 41.0 -1.5 105 105 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 4,-0.2 -0.142 53.9-145.9 -44.4 132.8 1.4 44.8 -2.0 106 106 A Y + 0 0 39 -3,-0.1 2,-2.0 1,-0.1 34,-0.2 -0.683 65.5 9.7-102.8 158.0 4.5 45.5 -4.1 107 107 A Y S S+ 0 0 12 32,-2.4 -1,-0.1 324,-0.7 325,-0.1 -0.131 113.8 69.0 74.9 -44.8 6.9 48.5 -3.8 108 108 A N S S- 0 0 12 -2,-2.0 -1,-0.2 -28,-0.1 -2,-0.1 0.579 86.6-146.4 -90.9 -7.5 5.5 50.0 -0.6 109 109 A R - 0 0 113 30,-0.4 -3,-0.1 -4,-0.2 432,-0.1 0.885 17.7-161.2 51.7 59.7 6.8 47.2 1.6 110 110 A P - 0 0 8 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 -0.226 20.4-104.2 -63.8 160.6 4.0 47.0 4.3 111 111 A S > - 0 0 34 452,-0.3 4,-2.5 429,-0.1 5,-0.2 -0.227 38.8 -96.4 -72.6 172.7 4.6 45.3 7.7 112 112 A Q H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.885 130.0 52.5 -62.1 -34.8 3.1 41.9 8.5 113 113 A E H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 106.8 53.5 -66.7 -34.8 0.2 43.7 10.2 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.928 108.7 47.9 -63.3 -46.4 -0.2 45.7 7.0 115 115 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.940 111.4 51.5 -60.2 -46.5 -0.5 42.6 4.9 116 116 A Y H X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 113.5 43.3 -55.0 -47.7 -3.0 41.1 7.4 117 117 A Q H X S+ 0 0 59 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.856 113.9 53.1 -66.8 -35.4 -5.2 44.3 7.2 118 118 A H H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.958 115.5 36.7 -64.2 -52.5 -4.8 44.4 3.4 119 119 A F H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.880 115.3 54.1 -74.3 -37.2 -5.9 40.9 2.8 120 120 A K H X S+ 0 0 57 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.915 110.2 48.1 -60.9 -44.6 -8.6 40.8 5.5 121 121 A A H X S+ 0 0 14 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.913 111.3 49.9 -62.1 -45.0 -10.1 44.0 4.0 122 122 A I H >< S+ 0 0 2 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.970 110.8 49.8 -54.5 -53.6 -10.1 42.5 0.5 123 123 A A H >< S+ 0 0 3 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.832 106.3 57.9 -55.8 -34.4 -11.7 39.2 1.8 124 124 A E H 3< S+ 0 0 124 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.689 103.0 51.8 -69.6 -20.8 -14.4 41.3 3.6 125 125 A H T << S+ 0 0 89 -3,-1.6 2,-0.3 -4,-0.8 -1,-0.2 0.090 110.3 49.7-107.6 21.5 -15.6 43.1 0.4 126 126 A T < - 0 0 12 -3,-1.1 30,-0.1 2,-0.1 -36,-0.1 -0.984 57.7-148.8-151.0 159.5 -16.1 39.9 -1.7 127 127 A D S S+ 0 0 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48.1 -65.9 -43.8 20.2 68.5 6.5 508 215 B A H X S+ 0 0 18 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.933 114.3 45.8 -62.6 -47.3 20.5 71.7 4.4 509 216 B Q H X S+ 0 0 89 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.927 113.7 50.0 -61.3 -43.0 23.6 72.9 6.4 510 217 B M H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.898 111.3 48.2 -63.9 -43.0 25.1 69.4 6.2 511 218 B C H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.869 111.8 50.6 -66.2 -34.0 24.6 69.2 2.5 512 219 B K H X S+ 0 0 120 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.916 110.9 47.5 -72.0 -42.1 26.1 72.7 2.1 513 220 B L H X>S+ 0 0 22 -4,-2.7 5,-2.6 2,-0.2 4,-0.5 0.944 111.7 51.5 -60.5 -46.0 29.2 71.8 4.1 514 221 B A H ><5S+ 0 0 5 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.952 108.2 51.0 -56.0 -49.7 29.5 68.6 2.1 515 222 B A H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.7 50.0 -57.9 -31.4 29.3 70.6 -1.3 516 223 B E H 3<5S- 0 0 85 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.450 119.7-111.5 -84.6 -4.9 32.1 72.9 0.1 517 224 B G T <<5S+ 0 0 39 -3,-2.0 2,-1.4 -4,-0.5 3,-0.2 0.608 76.2 134.1 86.4 12.2 34.3 69.9 1.0 518 225 B H >< + 0 0 82 -5,-2.6 4,-1.9 1,-0.2 -1,-0.1 -0.537 20.3 156.2 -94.4 67.7 33.9 70.5 4.8 519 226 B F H > + 0 0 54 -2,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.829 63.7 53.8 -71.8 -34.8 33.3 66.9 5.5 520 227 B A H > S+ 0 0 72 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.955 111.7 46.0 -64.4 -50.9 34.4 66.7 9.2 521 228 B E H > S+ 0 0 108 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.881 114.4 49.0 -56.9 -39.4 32.1 69.6 10.1 522 229 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.882 105.2 58.5 -68.2 -36.2 29.3 67.9 8.1 523 230 B R H X S+ 0 0 77 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.854 97.8 60.3 -64.9 -32.5 30.0 64.6 9.8 524 231 B V H X S+ 0 0 95 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.946 109.4 42.1 -59.4 -48.8 29.3 66.2 13.2 525 232 B I H X S+ 0 0 14 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.915 111.5 56.5 -63.0 -42.9 25.7 67.0 12.1 526 233 B N H X S+ 0 0 3 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.895 102.6 55.6 -59.4 -39.5 25.4 63.6 10.5 527 234 B Q H < S+ 0 0 125 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.900 108.2 47.2 -60.3 -41.4 26.2 61.8 13.8 528 235 B R H < S+ 0 0 88 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.804 116.8 44.3 -74.2 -23.1 23.4 63.6 15.6 529 236 B L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.1 3,-0.4 0.599 90.0 90.7 -84.6 -13.7 21.0 62.8 12.7 530 237 B M H X S+ 0 0 39 -4,-1.2 4,-2.1 -3,-0.4 5,-0.2 0.886 81.6 53.7 -61.7 -40.7 22.2 59.2 12.4 531 238 B P H > S+ 0 0 34 0, 0.0 4,-3.6 0, 0.0 -1,-0.3 0.930 112.4 46.3 -58.1 -42.4 19.6 57.7 14.9 532 239 B L H > S+ 0 0 0 46,-0.4 4,-2.1 -3,-0.4 -2,-0.2 0.905 106.9 58.3 -58.7 -45.1 16.9 59.4 12.8 533 240 B H H < S+ 0 0 3 -4,-2.5 -51,-0.4 -7,-0.2 -1,-0.2 0.867 119.0 31.6 -53.2 -39.5 18.5 58.1 9.6 534 241 B N H >< S+ 0 0 87 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.932 119.3 48.2 -82.8 -50.3 18.1 54.6 10.9 535 242 B K H >< S+ 0 0 88 -4,-3.6 3,-1.6 1,-0.3 4,-0.3 0.622 91.4 75.5 -77.7 -13.5 14.9 54.8 13.1 536 243 B L T 3< S+ 0 0 0 -4,-2.1 9,-0.4 1,-0.3 -1,-0.3 0.606 104.1 45.9 -65.6 -5.0 12.7 56.5 10.5 537 244 B F T < S+ 0 0 83 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.144 74.8 108.5-122.7 17.4 12.8 53.0 9.0 538 245 B V S < S+ 0 0 61 -3,-1.6 -2,-0.1 33,-0.1 -1,-0.1 0.822 97.8 16.9 -63.2 -31.7 12.1 51.1 12.2 539 246 B E S S- 0 0 31 -4,-0.3 -1,-0.1 -3,-0.1 28,-0.1 -0.914 122.5 -56.7-133.1 160.6 8.7 50.4 10.7 540 247 B P S > S- 0 0 30 0, 0.0 3,-2.7 0, 0.0 -429,-0.1 -0.041 74.8 -85.9 -47.0 122.0 7.8 50.9 7.0 541 248 B N T 3 S+ 0 0 7 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 -0.443 112.8 29.4 -57.9 134.5 8.5 54.4 5.6 542 249 B P T 3> S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 -0.828 104.6 79.9 -98.1 25.6 6.5 56.8 5.8 543 250 B I H <> S+ 0 0 3 -3,-2.7 4,-1.9 1,-0.2 24,-0.2 0.973 99.0 38.6 -59.3 -58.8 4.9 55.4 9.0 544 251 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.872 117.2 50.0 -61.0 -37.0 7.7 56.6 11.5 545 252 B V H > S+ 0 0 0 -9,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.853 109.0 50.5 -75.4 -33.5 8.2 60.0 9.7 546 253 B K H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.917 111.7 49.2 -65.6 -42.9 4.5 60.9 9.6 547 254 B W H X S+ 0 0 15 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.911 111.2 50.0 -60.5 -43.2 4.3 60.1 13.3 548 255 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-0.2 0.905 107.8 52.7 -63.1 -43.3 7.4 62.3 13.9 549 256 B C H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 6,-1.0 0.904 111.7 47.2 -58.8 -39.7 5.8 65.2 11.9 550 257 B K H <5S+ 0 0 96 -4,-2.1 3,-0.5 4,-0.2 -2,-0.2 0.910 109.9 52.2 -66.1 -43.3 2.7 64.9 14.1 551 258 B E H <5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.4 47.5 -60.2 -38.7 4.8 64.8 17.4 552 259 B L H <5S- 0 0 53 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.671 115.7-117.5 -74.1 -17.1 6.6 68.0 16.2 553 260 B G T <5S+ 0 0 48 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.573 80.3 123.7 88.7 10.6 3.3 69.6 15.4 554 261 B L S - 0 0 45 -2,-0.2 3,-2.4 4,-0.1 -218,-0.1 -0.899 54.4 -65.4-105.2 142.9 -3.6 54.7 3.8 562 269 B L T 3 S+ 0 0 65 -2,-0.4 -480,-1.1 1,-0.4 -479,-0.4 -0.338 119.5 42.1 -54.7 139.2 -3.8 50.9 3.8 563 270 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.948 106.7 78.4 -89.1 15.9 -1.7 48.9 3.5 564 271 B M S < S- 0 0 9 -3,-2.4 -4,-0.2 -454,-0.1 -455,-0.0 -0.685 71.0-161.0 -76.5 139.8 0.3 51.3 5.7 565 272 B T - 0 0 13 -2,-0.3 3,-0.1 1,-0.1 -451,-0.1 -0.807 26.6 -75.2-123.0 159.7 -0.8 50.8 9.4 566 273 B P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.179 57.3 -95.8 -58.1 144.6 -0.4 52.9 12.6 567 274 B I - 0 0 18 -24,-0.2 2,-0.1 -9,-0.2 -9,-0.0 -0.230 41.1-116.8 -54.0 139.0 3.0 53.1 14.3 568 275 B T > - 0 0 72 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.354 21.1-113.0 -73.3 162.8 3.5 50.6 17.2 569 276 B D H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.828 122.8 51.0 -64.4 -35.5 4.1 51.9 20.8 570 277 B S H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 108.1 52.9 -65.6 -43.2 7.6 50.4 20.6 571 278 B G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 107.0 51.6 -57.0 -46.2 8.0 52.3 17.3 572 279 B R H X S+ 0 0 111 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.878 108.7 51.2 -58.2 -41.6 6.9 55.6 19.0 573 280 B E H X S+ 0 0 144 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.906 113.1 44.6 -65.7 -42.1 9.5 55.1 21.8 574 281 B T H X S+ 0 0 38 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.893 115.8 45.8 -70.1 -43.8 12.3 54.5 19.3 575 282 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.954 112.0 52.2 -64.9 -48.8 11.4 57.4 17.0 576 283 B R H X S+ 0 0 82 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.911 108.9 50.2 -51.0 -48.2 11.0 59.7 20.0 577 284 B A H X S+ 0 0 59 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.880 111.2 49.0 -61.1 -38.7 14.5 58.8 21.3 578 285 B A H X S+ 0 0 2 -4,-1.8 4,-1.5 2,-0.2 -46,-0.4 0.868 109.7 51.2 -71.1 -36.2 15.9 59.5 17.8 579 286 B L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 6,-0.6 0.883 111.2 49.5 -62.1 -39.8 14.2 62.9 17.7 580 287 B K H ><5S+ 0 0 114 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.910 107.8 52.3 -69.2 -41.9 15.6 63.7 21.1 581 288 B H H 3<5S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.858 107.8 53.1 -59.6 -35.1 19.1 62.7 20.1 582 289 B A T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.497 116.2-118.8 -79.1 -3.1 18.7 65.1 17.1 583 290 B G T < 5S+ 0 0 61 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.678 80.6 121.9 74.6 20.2 17.8 67.9 19.5 584 291 B L < 0 0 50 -5,-2.5 -4,-0.2 -6,-0.1 -5,-0.1 0.604 360.0 360.0 -91.8 -16.2 14.3 68.3 17.9 585 292 B L 0 0 103 -6,-0.6 -5,-0.2 -9,-0.1 -1,-0.1 0.611 360.0 360.0-117.3 360.0 12.4 67.6 21.1