==== 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 3I7Q . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . 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) . 21343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 72.1 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 . 33 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 0 3 1 2 3 1 0 2 4 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 0 112 0, 0.0 97,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.8 25.9 -3.1 9.3 2 2 A F + 0 0 45 198,-0.1 2,-0.3 36,-0.0 198,-0.1 -0.121 360.0 80.0-131.8 34.5 25.3 -6.2 11.5 3 3 A T S S+ 0 0 66 2,-0.1 198,-0.2 179,-0.1 34,-0.1 -0.839 78.8 13.7-134.5 162.6 21.5 -6.2 11.0 4 4 A G E S-a 201 0A 10 196,-2.3 198,-1.9 -2,-0.3 2,-0.6 -0.245 111.2 -7.0 71.8-153.4 19.1 -7.4 8.3 5 5 A S E -a 202 0A 1 30,-0.3 32,-2.8 196,-0.2 33,-0.8 -0.723 62.9-176.9 -86.8 115.2 20.1 -9.7 5.5 6 6 A I E -ab 203 38A 0 196,-3.0 198,-3.2 -2,-0.6 2,-0.4 -0.964 20.3-136.0-113.0 122.2 23.8 -10.4 5.4 7 7 A V E -ab 204 39A 0 31,-2.1 33,-3.0 -2,-0.5 2,-1.3 -0.623 5.4-146.8 -83.3 131.6 25.0 -12.6 2.5 8 8 A A E - b 0 40A 11 196,-2.9 33,-0.1 -2,-0.4 200,-0.1 -0.776 41.0-145.8 -84.0 86.9 27.5 -15.4 3.1 9 9 A I - 0 0 2 31,-1.3 33,-0.4 -2,-1.3 34,-0.4 -0.284 3.4-124.1 -74.6 139.0 28.9 -14.7 -0.4 10 10 A V - 0 0 0 195,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.343 18.9-126.0 -62.9 152.7 30.3 -17.4 -2.7 11 11 A T - 0 0 2 34,-0.5 2,-0.1 30,-0.1 -1,-0.1 -0.893 31.2-145.1 -97.9 98.1 33.9 -16.9 -4.0 12 12 A P - 0 0 2 0, 0.0 8,-2.7 0, 0.0 2,-0.3 -0.455 20.6-166.5 -70.5 142.4 33.2 -17.2 -7.7 13 13 A M B -I 19 0B 1 251,-0.4 253,-0.4 253,-0.4 251,-0.4 -0.835 20.1-123.3-125.8 158.6 36.0 -19.0 -9.6 14 14 A D > - 0 0 57 4,-2.5 3,-2.0 -2,-0.3 6,-0.1 -0.263 54.4 -83.1 -83.4-176.9 37.1 -19.5 -13.2 15 15 A E T 3 S+ 0 0 166 1,-0.3 252,-0.1 2,-0.1 -1,-0.0 0.717 130.4 61.6 -67.6 -18.0 37.6 -23.0 -14.4 16 16 A K T 3 S- 0 0 172 2,-0.1 -1,-0.3 250,-0.1 3,-0.1 0.509 117.9-110.0 -80.8 -7.5 41.1 -23.1 -12.9 17 17 A G S < S+ 0 0 4 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.651 77.8 126.0 85.5 14.6 39.6 -22.6 -9.4 18 18 A N S S- 0 0 74 1,-0.1 -4,-2.5 249,-0.1 -1,-0.3 -0.786 72.7 -80.0-104.9 154.1 40.9 -19.0 -9.0 19 19 A V B -I 13 0B 43 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.3 -0.192 37.9-139.9 -57.9 134.2 38.7 -16.0 -8.1 20 20 A C > - 0 0 21 -8,-2.7 4,-2.6 1,-0.2 5,-0.1 -0.870 11.7-165.7 -98.8 104.3 36.8 -14.6 -11.0 21 21 A R H > S+ 0 0 127 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.893 86.7 51.8 -56.2 -48.3 36.9 -10.7 -10.7 22 22 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 112.6 45.2 -58.4 -47.7 34.1 -10.1 -13.3 23 23 A S H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 112.0 52.2 -64.4 -40.4 31.7 -12.5 -11.5 24 24 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.957 110.1 48.5 -58.0 -51.0 32.6 -11.1 -8.1 25 25 A K H X S+ 0 0 95 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.916 110.6 51.8 -53.7 -47.0 31.8 -7.5 -9.4 26 26 A K H X S+ 0 0 110 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.915 111.2 47.3 -57.5 -46.3 28.5 -8.8 -10.8 27 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 112.6 48.4 -61.1 -46.7 27.6 -10.4 -7.4 28 28 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.927 111.5 49.3 -64.6 -44.8 28.5 -7.2 -5.4 29 29 A D H X S+ 0 0 57 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.908 109.9 53.5 -54.1 -46.9 26.5 -5.0 -7.8 30 30 A Y H X S+ 0 0 52 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.892 110.3 46.2 -57.0 -42.4 23.6 -7.4 -7.4 31 31 A H H X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.883 111.4 51.3 -70.5 -38.4 23.7 -7.1 -3.6 32 32 A V H ><5S+ 0 0 51 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.964 114.7 43.1 -59.5 -50.5 24.0 -3.3 -3.7 33 33 A A H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.766 112.4 55.3 -66.0 -27.8 20.9 -3.1 -6.0 34 34 A S H 3<5S- 0 0 20 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.520 110.7-113.8 -85.7 -11.2 19.0 -5.8 -3.9 35 35 A G T <<5 + 0 0 46 -3,-1.0 -30,-0.3 -4,-0.7 -3,-0.2 0.677 51.9 168.1 79.7 18.8 19.3 -4.0 -0.5 36 36 A T < - 0 0 10 -5,-1.8 -1,-0.2 -6,-0.2 -30,-0.2 -0.433 31.4-141.8 -58.9 138.0 21.5 -6.7 1.1 37 37 A S - 0 0 23 -32,-2.8 2,-0.3 1,-0.2 -31,-0.2 0.807 66.8 -16.3 -80.4 -34.4 22.8 -5.1 4.4 38 38 A A E -b 6 0A 0 -33,-0.8 -31,-2.1 33,-0.1 2,-0.5 -0.974 58.6-120.3-162.5 164.6 26.4 -6.5 4.3 39 39 A I E -bc 7 73A 0 33,-2.3 35,-3.9 -2,-0.3 2,-0.7 -0.968 10.2-151.7-114.8 126.9 28.7 -9.1 2.8 40 40 A V E -bc 8 74A 1 -33,-3.0 -31,-1.3 -2,-0.5 2,-0.5 -0.902 24.7-152.3 -90.4 115.8 30.6 -11.7 4.7 41 41 A S E - c 0 75A 0 33,-3.5 35,-2.9 -2,-0.7 19,-0.1 -0.812 64.8 -4.1 -97.7 128.8 33.7 -12.3 2.5 42 42 A V S S+ 0 0 1 -2,-0.5 -1,-0.2 -33,-0.4 2,-0.1 0.918 89.7 136.7 54.5 53.1 35.4 -15.8 2.5 43 43 A G S >S- 0 0 10 -3,-0.4 5,-2.0 -34,-0.4 6,-0.2 -0.127 77.5 -58.9 -92.8-155.5 33.4 -17.5 5.2 44 44 A T T > 5S+ 0 0 17 1,-0.2 3,-1.5 2,-0.2 5,-0.2 0.918 141.3 44.9 -51.3 -52.5 32.1 -21.1 4.9 45 45 A T T 3 5S+ 0 0 3 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.757 108.2 60.1 -69.9 -24.1 30.1 -20.4 1.7 46 46 A G T 3 5S- 0 0 0 -36,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.284 117.7-110.7 -87.1 10.5 33.1 -18.5 0.3 47 47 A E T X>5 + 0 0 6 -3,-1.5 3,-1.0 1,-0.1 4,-0.8 0.860 55.6 163.3 62.3 42.2 35.3 -21.6 0.6 48 48 A S G >4 - 0 0 72 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.277 35.2 -97.5 -72.8 172.6 45.2 -20.2 1.6 53 53 A H H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.841 123.8 50.3 -66.1 -33.6 45.5 -17.1 3.7 54 54 A D H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 114.1 44.1 -65.4 -46.2 47.0 -15.0 0.9 55 55 A E H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.834 113.3 52.7 -65.3 -36.6 44.3 -16.0 -1.5 56 56 A H H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.951 111.2 45.8 -61.9 -51.8 41.7 -15.4 1.3 57 57 A A H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.894 109.8 55.2 -62.4 -40.8 43.1 -12.0 1.9 58 58 A D H X S+ 0 0 104 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.888 108.7 47.8 -57.5 -43.4 43.2 -11.2 -1.8 59 59 A V H X S+ 0 0 5 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 111.8 49.7 -66.6 -43.3 39.5 -12.1 -2.2 60 60 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 112.5 46.3 -61.1 -45.6 38.5 -9.9 0.8 61 61 A M H X S+ 0 0 71 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.848 112.7 50.5 -68.1 -32.9 40.5 -6.9 -0.5 62 62 A M H X S+ 0 0 47 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.873 111.0 49.0 -69.1 -38.6 39.0 -7.3 -3.9 63 63 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.911 112.0 48.4 -67.0 -44.1 35.5 -7.5 -2.4 64 64 A L H X>S+ 0 0 33 -4,-2.5 4,-1.6 2,-0.2 5,-0.5 0.935 113.7 47.2 -60.8 -48.7 36.1 -4.4 -0.4 65 65 A D H <5S+ 0 0 103 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.940 114.6 45.7 -56.7 -51.8 37.5 -2.6 -3.5 66 66 A L H <5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 106.3 59.1 -64.6 -33.6 34.5 -3.7 -5.7 67 67 A A H ><5S- 0 0 2 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.2 0.884 87.4-166.9 -60.3 -37.8 32.0 -2.7 -2.9 68 68 A D T 3<5 - 0 0 124 -4,-1.6 -3,-0.1 -3,-0.3 -2,-0.1 0.890 66.9 -55.3 50.6 49.2 33.5 0.8 -3.2 69 69 A G T 3 S- 0 0 6 1,-0.1 4,-2.2 482,-0.1 3,-0.4 -0.983 79.0-143.5-114.6 128.5 44.9 -22.2 16.0 82 82 A T H > S+ 0 0 5 480,-1.1 4,-2.6 -2,-0.5 5,-0.2 0.911 100.6 54.2 -59.4 -45.9 44.7 -18.9 18.0 83 83 A A H > S+ 0 0 71 479,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.846 110.9 47.3 -55.6 -38.0 48.0 -17.6 16.6 84 84 A E H > S+ 0 0 73 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.856 109.4 52.2 -73.8 -38.0 46.7 -18.1 13.0 85 85 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.909 112.2 47.2 -61.7 -41.9 43.3 -16.4 13.8 86 86 A I H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.939 112.7 49.2 -62.9 -47.2 45.3 -13.4 15.2 87 87 A S H X S+ 0 0 42 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.915 112.7 46.4 -62.5 -45.0 47.5 -13.4 12.1 88 88 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 4,-0.4 0.921 112.5 51.2 -62.7 -42.7 44.6 -13.6 9.6 89 89 A T H >X S+ 0 0 1 -4,-2.4 3,-1.6 1,-0.2 4,-0.6 0.881 103.5 59.2 -60.3 -41.4 42.8 -10.8 11.6 90 90 A Q H >< S+ 0 0 97 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.773 92.0 67.5 -63.8 -27.7 45.8 -8.6 11.5 91 91 A R T << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.761 106.4 42.2 -59.6 -25.7 45.8 -8.6 7.6 92 92 A F T X4 S+ 0 0 0 -3,-1.6 3,-1.3 -4,-0.4 5,-0.4 0.500 81.3 122.6-103.7 -7.5 42.6 -6.7 7.8 93 93 A N T << S+ 0 0 56 -3,-0.6 33,-0.0 -4,-0.6 -3,-0.0 -0.329 89.0 5.9 -55.9 134.3 43.5 -4.2 10.6 94 94 A D T 3 S+ 0 0 114 3,-0.1 -1,-0.3 1,-0.1 -4,-0.0 0.853 101.5 117.0 54.7 44.3 43.1 -0.6 9.1 95 95 A S S < S- 0 0 34 -3,-1.3 -2,-0.1 2,-0.2 3,-0.1 0.656 85.8-102.8-111.7 -22.2 41.6 -2.0 5.8 96 96 A G S S+ 0 0 57 1,-0.5 -23,-0.4 -4,-0.3 2,-0.1 0.216 77.3 130.3 106.3 -13.7 38.0 -0.7 5.5 97 97 A I - 0 0 8 -5,-0.4 -1,-0.5 1,-0.1 -2,-0.2 -0.504 54.1-142.8 -68.1 147.8 36.3 -3.9 6.5 98 98 A V - 0 0 50 -25,-2.1 2,-0.3 1,-0.2 -24,-0.2 0.704 65.1 -28.3 -88.2 -19.3 33.7 -3.2 9.2 99 99 A G E -d 74 0A 0 -26,-0.6 -24,-2.3 29,-0.2 2,-0.3 -0.980 60.5-100.4-177.4 177.1 34.2 -6.4 11.3 100 100 A C E -de 75 130A 0 29,-2.6 31,-3.0 -2,-0.3 2,-0.6 -0.918 11.2-146.9-121.2 148.3 35.1 -10.0 11.4 101 101 A L E -de 76 131A 10 -26,-2.6 -24,-2.2 -2,-0.3 2,-0.6 -0.950 27.0-172.6-110.3 110.0 33.2 -13.3 11.5 102 102 A T E - e 0 132A 1 29,-2.7 31,-1.7 -2,-0.6 2,-0.1 -0.905 10.0-146.8-119.8 117.7 35.2 -15.7 13.6 103 103 A V E - e 0 133A 7 -2,-0.6 -24,-0.5 29,-0.2 31,-0.2 -0.401 28.1-100.2 -80.7 149.2 34.3 -19.4 13.9 104 104 A T - 0 0 0 29,-1.9 -1,-0.1 1,-0.1 37,-0.1 -0.454 60.7 -84.1 -57.4 137.6 34.9 -21.6 17.0 105 105 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 4,-0.2 -0.231 52.3-144.4 -47.8 134.1 38.1 -23.7 16.5 106 106 A Y + 0 0 39 2,-0.1 2,-2.0 -3,-0.1 34,-0.2 -0.648 66.0 10.0-104.1 155.1 37.2 -26.8 14.4 107 107 A Y S S+ 0 0 11 32,-1.8 -1,-0.1 324,-0.8 325,-0.1 -0.222 113.9 68.4 76.1 -49.0 38.6 -30.3 14.7 108 108 A N S S- 0 0 13 -2,-2.0 -1,-0.2 -28,-0.1 -2,-0.1 0.526 88.2-145.6 -86.5 -4.0 40.6 -29.8 17.9 109 109 A R - 0 0 115 30,-0.4 -3,-0.1 322,-0.2 432,-0.1 0.858 17.3-159.7 45.3 64.5 37.5 -29.5 20.1 110 110 A P - 0 0 9 0, 0.0 454,-0.1 0, 0.0 -1,-0.1 -0.240 18.7-107.9 -66.7 158.4 38.6 -26.9 22.8 111 111 A S > - 0 0 37 452,-0.3 4,-2.4 429,-0.1 5,-0.2 -0.231 38.0 -96.5 -70.8 173.2 36.8 -26.6 26.1 112 112 A Q H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.863 130.0 54.0 -61.3 -34.2 34.6 -23.6 26.9 113 113 A E H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 107.9 49.7 -62.7 -42.9 37.6 -22.1 28.7 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.875 109.7 50.6 -63.9 -40.7 39.7 -22.6 25.5 115 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.935 110.2 50.9 -58.9 -47.6 36.9 -20.9 23.4 116 116 A Y H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 113.8 43.4 -55.6 -49.9 37.0 -18.0 25.9 117 117 A Q H X S+ 0 0 58 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.846 112.6 53.7 -65.1 -37.5 40.8 -17.6 25.6 118 118 A H H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.977 115.9 36.9 -61.1 -57.2 40.8 -18.0 21.8 119 119 A F H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.857 116.0 53.5 -69.9 -34.7 38.3 -15.3 21.2 120 120 A K H X S+ 0 0 58 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.948 110.3 47.5 -62.2 -47.9 39.6 -13.0 24.0 121 121 A A H X S+ 0 0 15 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.920 112.4 49.9 -60.2 -45.0 43.1 -13.2 22.6 122 122 A I H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.954 111.0 48.7 -55.9 -54.4 41.8 -12.5 19.0 123 123 A A H >< S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.857 107.2 56.7 -53.3 -40.8 39.7 -9.4 20.3 124 124 A E H 3< S+ 0 0 125 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.691 104.6 52.9 -67.0 -20.7 42.8 -8.1 22.2 125 125 A H T << S+ 0 0 89 -3,-1.3 2,-0.3 -4,-0.9 -1,-0.2 0.141 110.0 48.5-102.3 18.4 44.9 -8.1 18.9 126 126 A T < - 0 0 11 -3,-1.3 30,-0.1 1,-0.1 -36,-0.1 -0.989 56.4-150.3-150.7 157.2 42.5 -6.0 16.9 127 127 A D S S+ 0 0 161 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360.0 360.0 360.0 0.0 0.0 0.0 294 1 B M 0 0 115 0, 0.0 97,-0.1 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 134.4 54.7 -51.2 10.5 295 2 B F + 0 0 46 36,-0.0 2,-0.2 4,-0.0 198,-0.1 0.091 360.0 72.8-130.0 19.7 50.9 -50.7 10.6 296 3 B T S S+ 0 0 64 2,-0.1 198,-0.3 179,-0.1 2,-0.1 -0.770 78.5 25.7-125.7 172.5 49.7 -53.4 13.1 297 4 B G E S-j 494 0C 16 196,-2.1 198,-2.2 -2,-0.2 2,-0.7 -0.368 112.4 -10.0 76.8-152.9 49.8 -53.7 16.9 298 5 B S E -j 495 0C 1 30,-0.3 32,-2.7 196,-0.2 33,-0.8 -0.761 64.9-177.3 -87.6 113.8 50.1 -50.8 19.3 299 6 B I E -jk 496 331C 0 196,-2.5 198,-3.3 -2,-0.7 2,-0.4 -0.953 20.9-134.3-111.8 123.9 50.8 -47.5 17.3 300 7 B V E -jk 497 332C 0 31,-2.3 33,-3.4 -2,-0.5 2,-1.3 -0.661 5.2-148.8 -87.2 127.6 51.3 -44.4 19.5 301 8 B A E - k 0 333C 11 196,-2.6 200,-0.1 -2,-0.4 33,-0.1 -0.781 40.9-145.8 -81.7 88.4 49.6 -41.2 18.5 302 9 B I - 0 0 2 31,-1.5 34,-0.4 -2,-1.3 33,-0.4 -0.294 3.8-122.6 -77.6 143.4 52.5 -39.3 20.1 303 10 B V - 0 0 1 195,-0.1 36,-0.3 36,-0.1 -1,-0.1 -0.392 18.7-127.3 -69.7 153.7 52.3 -36.0 21.9 304 11 B T - 0 0 3 34,-0.5 2,-0.1 -2,-0.1 -1,-0.1 -0.899 31.8-142.4-100.6 97.4 54.4 -33.1 20.6 305 12 B P - 0 0 1 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.387 21.9-166.8 -69.5 140.1 56.2 -32.1 23.8 306 13 B M B -R 312 0D 3 251,-0.4 253,-0.5 253,-0.4 251,-0.4 -0.904 19.0-128.6-129.2 148.9 56.7 -28.4 24.3 307 14 B D > - 0 0 58 4,-2.7 3,-1.8 -2,-0.3 6,-0.1 -0.229 54.2 -80.5 -75.9-177.0 58.7 -26.0 26.5 308 15 B E T 3 S+ 0 0 150 1,-0.3 252,-0.1 2,-0.1 -1,-0.0 0.714 131.2 55.8 -59.4 -25.2 56.9 -23.1 28.3 309 16 B K T 3 S- 0 0 131 2,-0.1 -1,-0.3 250,-0.1 3,-0.1 0.406 120.1-105.9 -90.3 -2.7 56.9 -21.0 25.1 310 17 B G S < S+ 0 0 6 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.577 76.1 134.7 90.7 11.6 55.1 -23.7 23.1 311 18 B N - 0 0 78 1,-0.1 -4,-2.7 0, 0.0 -1,-0.3 -0.729 66.5 -90.6 -99.1 145.2 58.1 -24.8 21.1 312 19 B V B -R 306 0D 47 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.3 -0.251 35.5-140.5 -57.4 131.2 59.0 -28.4 20.5 313 20 B C > - 0 0 25 -8,-2.6 4,-2.1 1,-0.2 3,-0.2 -0.862 11.4-166.0 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103.4 55.7 -59.8 -36.6 42.4 -53.6 29.0 527 234 B Q H < S+ 0 0 117 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.872 107.1 48.3 -66.4 -37.1 40.4 -53.5 32.2 528 235 B R H < S+ 0 0 90 -4,-1.4 4,-0.3 -3,-0.5 -1,-0.2 0.801 116.8 43.8 -72.4 -23.2 43.3 -52.0 34.1 529 236 B L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.1 3,-0.5 0.613 88.3 93.0 -89.9 -13.9 43.8 -49.4 31.3 530 237 B M H X S+ 0 0 34 -4,-1.4 4,-2.2 1,-0.3 5,-0.2 0.852 81.1 53.9 -56.7 -43.2 40.1 -48.6 30.9 531 238 B P H > S+ 0 0 35 0, 0.0 4,-3.8 0, 0.0 5,-0.3 0.939 112.7 46.1 -55.7 -42.5 40.0 -45.6 33.3 532 239 B L H > S+ 0 0 0 -3,-0.5 4,-2.2 46,-0.4 -2,-0.2 0.930 107.7 56.7 -59.6 -45.2 42.9 -44.2 31.2 533 240 B H H < S+ 0 0 3 -4,-2.5 -51,-0.4 -7,-0.2 -1,-0.2 0.878 121.0 29.8 -54.8 -41.2 41.1 -45.0 28.0 534 241 B N H >< S+ 0 0 82 -4,-2.2 3,-1.4 -5,-0.2 -2,-0.2 0.927 121.0 48.3 -79.4 -54.1 38.1 -42.9 29.3 535 242 B K H >< S+ 0 0 94 -4,-3.8 3,-1.9 1,-0.3 4,-0.3 0.641 91.8 75.2 -75.5 -17.4 39.8 -40.2 31.5 536 243 B L T 3< S+ 0 0 0 -4,-2.2 9,-0.4 -5,-0.3 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2,-0.2 -1,-0.2 0.897 111.7 49.5 -67.1 -39.1 50.4 -34.3 28.2 547 254 B W H X S+ 0 0 2 -4,-1.9 4,-3.1 -5,-0.3 -2,-0.2 0.941 111.0 50.3 -62.3 -46.1 49.8 -33.7 31.9 548 255 B A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 6,-0.2 0.908 109.6 50.1 -57.8 -47.6 50.2 -37.5 32.5 549 256 B C H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 6,-1.0 0.892 112.1 48.1 -55.4 -45.2 53.4 -37.6 30.6 550 257 B K H ><5S+ 0 0 71 -4,-2.4 3,-1.1 4,-0.2 -2,-0.2 0.939 110.4 52.2 -59.3 -47.6 54.7 -34.6 32.7 551 258 B E H 3<5S+ 0 0 68 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.842 110.1 47.5 -59.8 -36.6 53.6 -36.4 35.9 552 259 B L H 3<5S- 0 0 52 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.537 116.3-115.6 -79.6 -11.7 55.5 -39.7 34.9 553 260 B G T <<5S+ 0 0 48 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.578 81.9 123.3 86.5 10.9 58.6 -37.6 34.1 554 261 B L S - 0 0 47 -2,-0.2 3,-2.1 4,-0.1 -218,-0.1 -0.856 54.6 -64.8-102.1 141.0 49.2 -24.1 22.3 562 269 B L T 3 S+ 0 0 66 -2,-0.4 -480,-1.1 1,-0.3 -479,-0.4 -0.291 119.0 42.5 -53.0 141.8 45.9 -22.2 22.4 563 270 B P T 3 S+ 0 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127 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.871 113.0 50.2 -70.7 -37.8 43.0 -35.8 40.2 574 281 B T H X S+ 0 0 38 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.915 116.7 42.0 -63.6 -44.8 40.8 -37.8 37.8 575 282 B V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.906 111.2 55.2 -71.8 -43.8 43.8 -38.5 35.6 576 283 B R H X S+ 0 0 97 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.922 108.6 49.6 -51.3 -48.2 46.1 -39.3 38.6 577 284 B A H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.893 109.5 51.0 -62.1 -40.1 43.5 -41.9 39.8 578 285 B A H X S+ 0 0 3 -4,-1.6 4,-1.5 2,-0.2 -46,-0.4 0.898 109.7 50.8 -63.4 -41.1 43.4 -43.5 36.3 579 286 B L H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 6,-0.6 0.904 110.8 47.8 -62.2 -45.0 47.2 -43.7 36.2 580 287 B K H ><5S+ 0 0 90 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.887 108.3 54.3 -63.0 -41.6 47.3 -45.4 39.6 581 288 B H H 3<5S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.7 50.5 -58.2 -34.1 44.5 -47.9 38.5 582 289 B A T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.530 118.1-116.7 -81.4 -7.8 46.8 -48.7 35.6 583 290 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