==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER AMINOTRANSFERASE 13-AUG-98 1BQA . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.N.MALASHKEVICH,J.N.JANSONIUS . 792 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 0 4 2 1 2 4 3 2 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 0 2 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 PARALLEL BRIDGES PER LADDER . 0 2 2 0 0 3 1 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 . 6 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 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 5 A M 0 0 49 0, 0.0 515,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -29.3 8.9 15.6 -2.6 2 6 A F > + 0 0 0 1,-0.1 3,-1.3 2,-0.1 657,-0.0 0.339 360.0 102.6-105.5 4.2 6.8 13.2 -0.5 3 7 A E T 3 S+ 0 0 128 1,-0.2 -1,-0.1 665,-0.0 656,-0.0 0.865 87.0 37.5 -54.4 -45.1 3.5 13.9 -2.2 4 8 A N T 3 S+ 0 0 154 -3,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.199 81.5 130.4 -97.9 16.5 3.4 10.7 -4.2 5 9 A I < - 0 0 9 -3,-1.3 2,-0.3 659,-0.1 510,-0.1 -0.574 51.3-138.5 -74.7 126.2 4.9 8.3 -1.8 6 10 A T - 0 0 106 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.659 24.4-103.8 -86.8 138.4 2.8 5.1 -1.4 7 11 A A - 0 0 60 -2,-0.3 661,-0.1 1,-0.1 -1,-0.1 -0.254 36.4-111.5 -59.2 143.8 2.3 3.7 2.0 8 12 A A - 0 0 20 659,-0.4 -1,-0.1 1,-0.1 663,-0.1 -0.492 41.4 -95.3 -74.9 146.4 4.3 0.6 2.9 9 13 A P - 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.359 43.1-112.6 -62.4 140.3 2.3 -2.6 3.2 10 14 A A - 0 0 96 -3,-0.1 -3,-0.0 1,-0.1 660,-0.0 -0.597 27.3-124.7 -78.9 134.2 1.3 -3.3 6.8 11 15 A D > - 0 0 52 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.633 10.8-133.9 -84.0 127.1 2.9 -6.4 8.4 12 16 A P H > S+ 0 0 89 0, 0.0 4,-4.7 0, 0.0 5,-0.3 0.842 98.5 55.4 -39.7 -57.9 0.7 -9.1 9.8 13 17 A I H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.940 113.9 39.3 -47.2 -58.5 2.4 -9.6 13.2 14 18 A L H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 118.7 50.6 -59.8 -35.9 2.3 -6.0 14.2 15 19 A G H X S+ 0 0 37 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.891 108.5 51.2 -68.0 -40.4 -1.2 -5.8 12.7 16 20 A L H X S+ 0 0 19 -4,-4.7 4,-3.1 -5,-0.2 -2,-0.2 0.925 107.1 55.7 -60.9 -45.0 -2.2 -8.9 14.7 17 21 A A H X S+ 0 0 32 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.931 107.1 46.9 -52.9 -54.6 -0.9 -7.3 17.8 18 22 A D H X S+ 0 0 93 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.891 112.9 50.4 -57.6 -40.6 -3.0 -4.2 17.5 19 23 A L H < S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.938 109.8 50.3 -63.0 -46.9 -6.0 -6.4 16.8 20 24 A F H >< S+ 0 0 46 -4,-3.1 3,-1.3 1,-0.2 -2,-0.2 0.911 111.0 49.8 -56.5 -45.7 -5.3 -8.5 19.8 21 25 A R H 3< S+ 0 0 147 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.939 105.3 54.4 -59.2 -52.6 -5.0 -5.5 22.0 22 26 A A T 3< S+ 0 0 85 -4,-2.4 2,-0.7 -5,-0.2 -1,-0.3 0.257 85.9 113.3 -69.4 15.3 -8.3 -3.9 20.9 23 27 A D < - 0 0 18 -3,-1.3 5,-0.1 1,-0.1 -3,-0.0 -0.818 49.6-167.7 -97.0 115.3 -10.1 -7.1 21.8 24 28 A E + 0 0 195 -2,-0.7 -1,-0.1 0, 0.0 -4,-0.0 0.754 52.2 116.7 -69.3 -26.3 -12.5 -6.8 24.7 25 29 A R - 0 0 86 1,-0.1 -2,-0.1 2,-0.1 340,-0.0 0.002 58.4-146.1 -44.2 147.9 -12.8 -10.7 25.0 26 30 A P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.942 89.5 47.7 -86.0 -53.7 -11.6 -12.2 28.3 27 31 A G S S+ 0 0 58 2,-0.0 -2,-0.1 360,-0.0 338,-0.0 0.369 79.1 149.4 -73.5 5.6 -10.1 -15.6 27.4 28 32 A K - 0 0 50 -5,-0.1 2,-0.4 339,-0.1 339,-0.2 -0.007 27.8-164.7 -43.3 138.9 -8.1 -14.2 24.5 29 33 A I E -a 367 0A 12 337,-2.4 339,-3.4 359,-0.0 2,-0.7 -0.998 9.0-150.3-132.8 128.4 -4.8 -16.0 23.8 30 34 A N E +a 368 0A 27 -2,-0.4 3,-0.4 349,-0.2 339,-0.1 -0.842 28.4 158.1-106.7 105.2 -2.0 -14.6 21.6 31 35 A L + 0 0 4 337,-2.8 345,-1.3 -2,-0.7 339,-0.2 0.352 64.0 82.2 -99.4 3.1 0.1 -17.2 19.8 32 36 A G + 0 0 5 336,-0.2 -1,-0.2 337,-0.2 -15,-0.1 0.370 63.9 119.9 -89.6 5.2 1.2 -14.6 17.2 33 37 A I - 0 0 20 -3,-0.4 346,-0.1 343,-0.2 345,-0.1 -0.254 54.3-151.2 -68.1 156.6 4.0 -13.2 19.5 34 38 A G + 0 0 25 2,-0.1 2,-0.3 342,-0.0 -1,-0.1 0.272 68.4 67.4-113.6 10.3 7.6 -13.4 18.3 35 39 A V S S- 0 0 6 312,-0.1 2,-0.2 341,-0.1 343,-0.1 -0.796 86.8 -88.9-126.6 170.6 9.3 -13.6 21.7 36 40 A Y - 0 0 16 -2,-0.3 2,-0.3 210,-0.1 -2,-0.1 -0.481 40.3-172.2 -76.5 148.4 9.7 -15.9 24.6 37 41 A K - 0 0 45 -2,-0.2 6,-0.2 6,-0.1 343,-0.1 -0.984 14.2-130.4-139.6 147.4 7.2 -15.7 27.4 38 42 A D > - 0 0 21 4,-2.7 3,-2.9 -2,-0.3 276,-0.0 -0.318 41.2 -83.2 -92.7 179.7 7.1 -17.4 30.8 39 43 A E T 3 S+ 0 0 107 1,-0.3 344,-0.2 2,-0.2 -1,-0.1 0.689 131.3 51.8 -52.8 -23.8 4.4 -19.4 32.6 40 44 A T T 3 S- 0 0 81 2,-0.2 -1,-0.3 341,-0.0 341,-0.1 0.428 122.3-107.2 -94.5 -1.3 3.0 -16.1 33.8 41 45 A G S < S+ 0 0 36 -3,-2.9 2,-0.3 1,-0.3 -2,-0.2 0.743 78.1 121.2 83.5 26.6 2.9 -14.7 30.3 42 46 A K - 0 0 119 -4,-0.0 -4,-2.7 417,-0.0 -1,-0.3 -0.823 61.2-137.5-123.3 162.5 5.7 -12.3 30.6 43 47 A T - 0 0 10 -2,-0.3 417,-0.6 -6,-0.2 418,-0.3 -0.715 40.5-171.9-114.6 75.2 9.1 -11.6 29.0 44 48 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 416,-0.2 -0.031 29.0-101.2 -66.7 167.7 11.2 -10.8 32.0 45 49 A V - 0 0 22 413,-0.4 204,-0.1 412,-0.1 205,-0.1 -0.763 47.7-108.8 -88.8 132.2 14.7 -9.6 32.4 46 50 A L > - 0 0 18 -2,-0.4 4,-2.4 202,-0.4 5,-0.2 -0.340 15.1-129.8 -63.3 144.9 17.1 -12.4 33.2 47 51 A T H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 110.8 52.3 -59.9 -46.0 18.5 -12.5 36.6 48 52 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.842 109.9 50.7 -59.4 -32.7 22.0 -12.9 35.2 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.939 107.7 50.3 -71.0 -47.7 21.4 -9.8 33.1 50 54 A K H X S+ 0 0 54 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 111.5 49.9 -56.4 -43.7 20.2 -7.7 36.0 51 55 A K H X S+ 0 0 115 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.926 111.0 49.0 -61.5 -44.5 23.3 -8.6 38.0 52 56 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.871 109.0 53.2 -63.2 -37.4 25.5 -7.8 35.0 53 57 A E H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.840 106.7 51.9 -67.7 -33.7 23.7 -4.4 34.6 54 58 A Q H X S+ 0 0 70 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.923 108.4 52.5 -67.1 -42.3 24.3 -3.5 38.3 55 59 A Y H X S+ 0 0 120 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.870 109.6 47.4 -60.5 -41.1 27.9 -4.3 37.8 56 60 A L H X S+ 0 0 15 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.910 108.3 55.5 -68.6 -41.4 28.2 -2.0 34.8 57 61 A L H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 114.1 40.8 -55.6 -45.0 26.4 0.8 36.6 58 62 A E H < S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.759 124.9 34.5 -76.5 -29.0 29.0 0.6 39.4 59 63 A N H < S+ 0 0 85 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.662 84.0 106.7-105.4 -17.2 32.0 0.1 37.2 60 64 A E < + 0 0 28 -4,-3.0 382,-0.1 -5,-0.2 3,-0.1 -0.477 32.5 171.3 -67.6 128.5 31.5 2.1 34.0 61 66 A T + 0 0 116 1,-0.3 2,-0.3 -2,-0.3 381,-0.3 0.413 63.6 20.2-115.4 -3.0 33.7 5.3 33.9 62 67 A T - 0 0 50 379,-0.2 -1,-0.3 2,-0.1 380,-0.1 -0.979 47.2-153.0-163.1 151.7 33.1 6.4 30.3 63 68 A K + 0 0 0 377,-0.6 586,-3.2 -2,-0.3 587,-0.2 -0.061 46.9 152.6-117.3 29.3 30.7 6.0 27.4 64 69 A N - 0 0 59 376,-0.3 -2,-0.1 584,-0.2 378,-0.0 -0.258 56.5 -75.8 -61.7 145.5 33.3 6.7 24.8 65 70 A Y - 0 0 61 1,-0.1 -1,-0.2 220,-0.0 2,-0.1 -0.026 44.6-133.9 -43.3 138.0 32.9 5.2 21.4 66 71 A L - 0 0 38 220,-0.3 5,-0.1 1,-0.2 -1,-0.1 -0.415 37.9 -83.7 -85.2 169.9 33.7 1.5 21.0 67 72 A G > - 0 0 39 3,-0.3 3,-2.1 -2,-0.1 -1,-0.2 -0.246 47.4 -99.8 -67.4 163.4 35.8 0.3 18.1 68 73 A I T 3 S+ 0 0 23 1,-0.3 -1,-0.1 217,-0.1 -2,-0.1 0.884 128.5 45.0 -53.4 -38.9 34.0 -0.2 14.8 69 74 A D T 3 S- 0 0 44 1,-0.3 30,-2.2 29,-0.1 -1,-0.3 0.419 111.0-136.9 -87.0 2.9 33.9 -3.9 15.5 70 75 A G < + 0 0 6 -3,-2.1 -3,-0.3 28,-0.2 -1,-0.3 -0.318 56.0 6.1 80.1-160.5 32.8 -3.3 19.2 71 76 A I > - 0 0 15 1,-0.1 4,-1.7 -5,-0.1 3,-0.3 -0.429 58.3-147.7 -64.9 120.0 34.0 -5.0 22.4 72 77 A P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.928 97.4 51.0 -54.2 -53.0 37.0 -7.3 21.9 73 78 A E H > S+ 0 0 95 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.849 106.1 57.4 -56.1 -34.3 36.0 -9.8 24.6 74 79 A F H > S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.925 106.7 49.6 -61.2 -42.7 32.5 -9.9 23.2 75 80 A G H X S+ 0 0 10 -4,-1.7 4,-2.3 -3,-0.4 -2,-0.2 0.926 112.7 45.3 -61.7 -48.4 34.1 -11.1 19.9 76 81 A R H X S+ 0 0 116 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 112.8 49.1 -65.9 -41.9 36.2 -13.8 21.5 77 82 A C H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.909 111.3 52.3 -63.1 -39.5 33.5 -15.1 23.7 78 83 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.922 107.5 50.2 -62.2 -46.2 31.2 -15.2 20.6 79 84 A Q H X S+ 0 0 26 -4,-2.3 4,-3.2 1,-0.2 5,-0.4 0.901 110.6 49.8 -60.9 -40.4 33.7 -17.1 18.6 80 85 A E H X S+ 0 0 39 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 110.1 50.5 -64.1 -42.7 34.2 -19.8 21.3 81 86 A L H < S+ 0 0 3 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.848 117.8 40.8 -63.1 -35.5 30.4 -20.2 21.7 82 87 A L H < S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.943 131.9 20.2 -77.8 -55.1 30.2 -20.7 17.9 83 88 A F H < S- 0 0 10 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.489 107.4-116.6 -97.6 -5.2 33.1 -22.8 17.1 84 89 A G >< - 0 0 6 -4,-2.2 3,-1.2 -5,-0.4 6,-0.2 0.335 42.6 -69.4 78.4 142.7 33.8 -24.2 20.6 85 90 A K T 3 S+ 0 0 156 1,-0.2 3,-0.1 -5,-0.1 -5,-0.0 -0.356 120.8 32.6 -69.0 148.2 37.0 -23.5 22.4 86 91 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.0 2,-0.1 0.510 84.8 155.2 85.5 4.9 40.2 -25.0 21.1 87 92 A S X> - 0 0 23 -3,-1.2 4,-2.4 1,-0.1 3,-0.5 -0.378 49.9-132.9 -66.3 143.0 38.8 -24.7 17.6 88 93 A A H 3> S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 6,-0.2 0.842 105.5 63.9 -63.9 -35.6 41.3 -24.5 14.8 89 94 A L H 34>S+ 0 0 10 1,-0.2 5,-2.5 2,-0.2 6,-0.6 0.858 110.0 40.3 -56.3 -36.3 39.5 -21.6 13.3 90 95 A I H X45S+ 0 0 40 -3,-0.5 3,-2.1 3,-0.2 -2,-0.2 0.945 114.4 48.5 -78.5 -52.6 40.3 -19.7 16.4 91 96 A N H 3<5S+ 0 0 108 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.769 113.6 49.7 -60.8 -24.6 43.9 -20.9 17.0 92 97 A D T 3<5S- 0 0 100 -4,-2.4 173,-0.4 -5,-0.2 -1,-0.3 0.395 107.4-128.6 -93.7 1.7 44.6 -20.1 13.3 93 98 A K T < 5 + 0 0 144 -3,-2.1 -3,-0.2 -5,-0.1 175,-0.1 0.914 62.7 139.7 49.9 50.2 43.1 -16.7 13.7 94 99 A R < + 0 0 25 -5,-2.5 168,-2.2 -6,-0.2 2,-0.4 0.475 50.8 70.6 -98.5 -7.0 40.9 -17.3 10.6 95 100 A A E -B 261 0B 8 -6,-0.6 2,-0.4 166,-0.2 166,-0.2 -0.930 54.5-171.5-121.0 141.2 37.8 -15.6 12.0 96 101 A R E -B 260 0B 78 164,-2.1 164,-2.9 -2,-0.4 2,-0.4 -0.974 11.9-156.3-125.7 138.3 36.9 -11.9 12.7 97 102 A T E -B 259 0B 12 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.958 5.3-163.2-122.4 136.5 33.9 -10.9 14.6 98 103 A A E -B 258 0B 0 160,-2.3 160,-2.6 -2,-0.4 2,-0.4 -0.958 21.5-129.4-118.2 132.7 32.0 -7.6 14.6 99 104 A Q E -B 257 0B 4 -30,-2.2 158,-0.3 -2,-0.5 156,-0.0 -0.630 38.1-177.3 -76.2 129.8 29.5 -6.6 17.2 100 105 A T E -B 256 0B 1 156,-2.7 2,-2.0 -2,-0.4 156,-1.7 -0.886 40.2 -90.4-131.5 164.5 26.3 -5.5 15.5 101 106 A P E > S-B 255 0B 1 0, 0.0 4,-1.1 0, 0.0 154,-0.3 -0.495 92.6 -48.8 -74.7 82.2 22.9 -4.2 16.3 102 107 A G H > S- 0 0 0 -2,-2.0 4,-1.6 152,-0.6 154,-0.3 -0.026 78.6 -67.6 79.0 173.8 21.1 -7.5 16.7 103 108 A G H > S+ 0 0 0 152,-0.3 4,-2.4 2,-0.2 5,-0.2 0.899 134.4 56.3 -66.4 -40.7 21.1 -10.5 14.4 104 109 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.939 106.0 50.5 -55.8 -48.1 19.2 -8.5 11.8 105 110 A G H X S+ 0 0 0 -4,-1.1 4,-2.4 575,-0.4 -1,-0.2 0.865 108.1 52.8 -58.7 -38.7 21.9 -5.9 11.8 106 111 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.904 109.0 50.5 -63.1 -41.4 24.5 -8.6 11.3 107 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.942 110.9 48.0 -60.8 -50.2 22.6 -9.9 8.3 108 113 A R H X S+ 0 0 3 -4,-2.5 4,-2.7 571,-0.4 5,-0.2 0.913 110.7 51.2 -58.2 -44.8 22.4 -6.4 6.8 109 114 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.896 110.5 48.8 -61.1 -41.1 26.1 -5.8 7.3 110 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.931 111.4 50.9 -63.6 -44.8 27.0 -9.1 5.6 111 116 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.934 111.7 45.0 -57.8 -52.0 24.7 -8.2 2.7 112 117 A D H X S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.904 114.3 51.1 -59.9 -42.9 26.3 -4.7 2.2 113 118 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.948 113.3 42.9 -60.1 -51.3 29.7 -6.2 2.5 114 119 A L H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 6,-0.4 0.923 111.2 56.9 -61.4 -45.7 29.0 -9.0 -0.1 115 120 A A H < S+ 0 0 30 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.837 117.9 30.4 -56.5 -38.1 27.3 -6.6 -2.4 116 121 A K H < S+ 0 0 107 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.667 126.9 36.9 -99.0 -18.4 30.2 -4.2 -2.7 117 122 A N H < S+ 0 0 38 -4,-2.0 2,-0.2 -5,-0.2 -3,-0.2 0.514 112.8 41.7-114.0 -5.0 33.2 -6.5 -2.2 118 123 A T S < S- 0 0 25 -4,-1.9 281,-0.1 -5,-0.3 0, 0.0 -0.747 77.9-111.4-132.0-179.1 32.3 -9.7 -4.0 119 124 A S + 0 0 95 -2,-0.2 -4,-0.1 279,-0.2 -5,-0.1 0.308 67.7 134.2 -96.1 7.1 30.7 -11.0 -7.1 120 125 A V + 0 0 3 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.290 16.8 158.7 -58.5 140.5 27.7 -12.4 -5.2 121 126 A K + 0 0 152 1,-0.3 22,-3.0 51,-0.2 2,-0.4 0.471 56.7 48.5-136.1 -19.5 24.4 -11.6 -6.8 122 129 A R E -c 143 0B 37 50,-0.2 52,-2.1 20,-0.2 2,-0.4 -0.966 53.9-165.3-131.7 147.1 22.1 -14.2 -5.4 123 133 A V E -cd 144 174B 0 20,-2.9 22,-2.6 -2,-0.4 2,-0.5 -0.996 15.3-143.7-133.5 128.7 21.2 -15.6 -2.1 124 134 A W E +cd 145 175B 12 50,-3.0 52,-2.9 -2,-0.4 2,-0.3 -0.810 20.1 179.0 -95.8 126.7 19.2 -18.7 -1.5 125 135 A V E -c 146 0B 1 20,-3.0 22,-2.3 -2,-0.5 4,-0.1 -0.900 30.7-101.8-123.9 152.0 16.8 -19.0 1.3 126 136 A S E -c 147 0B 0 -2,-0.3 22,-0.2 50,-0.3 23,-0.1 -0.293 43.4 -92.0 -71.6 156.4 14.5 -21.9 2.3 127 137 A N E S+c 148 0B 72 20,-1.9 23,-1.4 1,-0.1 22,-0.7 -0.949 115.2 21.6-114.1 111.4 10.8 -22.1 1.6 128 138 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 57,-0.1 0.626 90.8 155.2 -89.6-177.9 9.5 -20.9 3.8 129 139 A S - 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0 0 5 -4,-2.7 3,-1.1 -5,-0.5 6,-0.2 0.259 42.0 -67.9 79.9 147.1 10.5 24.2 20.6 482 90 B K T 3 S+ 0 0 160 1,-0.2 3,-0.1 -5,-0.1 -5,-0.0 -0.407 120.2 33.3 -72.5 147.8 7.3 23.5 22.4 483 91 B G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.425 83.9 153.4 89.0 -0.5 4.1 25.1 21.0 484 92 B S X> - 0 0 26 -3,-1.1 4,-2.3 1,-0.1 3,-0.9 -0.358 50.9-133.7 -63.8 138.9 5.5 24.8 17.6 485 93 B A H 3> S+ 0 0 56 1,-0.3 4,-2.7 2,-0.2 6,-0.2 0.835 105.3 65.4 -61.9 -34.1 2.9 24.5 14.8 486 94 B L H 34>S+ 0 0 10 1,-0.2 5,-2.4 2,-0.2 6,-0.5 0.841 109.6 39.8 -56.4 -33.9 4.9 21.6 13.3 487 95 B I H X45S+ 0 0 42 -3,-0.9 3,-1.8 3,-0.2 -2,-0.2 0.920 115.3 47.6 -82.0 -49.7 4.0 19.7 16.4 488 96 B N H 3<5S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.781 113.6 50.6 -63.9 -25.3 0.4 20.9 16.9 489 97 B D T 3<5S- 0 0 96 -4,-2.7 173,-0.4 -5,-0.2 -1,-0.3 0.344 107.2-129.3 -93.2 5.1 -0.2 20.2 13.3 490 98 B K T < 5 + 0 0 147 -3,-1.8 -3,-0.2 1,-0.1 175,-0.1 0.881 61.9 140.3 47.2 47.4 1.2 16.7 13.6 491 99 B R < + 0 0 25 -5,-2.4 168,-2.2 -6,-0.2 2,-0.4 0.371 50.4 71.2 -97.3 0.8 3.5 17.3 10.6 492 100 B A E -K 658 0F 8 -6,-0.5 2,-0.4 166,-0.2 166,-0.2 -0.970 53.9-172.0-128.3 139.8 6.5 15.5 12.0 493 101 B R E -K 657 0F 74 164,-2.0 164,-2.8 -2,-0.4 2,-0.5 -0.974 12.3-155.9-125.5 136.9 7.4 12.0 12.7 494 102 B T E -K 656 0F 12 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.953 5.1-163.3-122.4 133.7 10.5 10.9 14.6 495 103 B A E -K 655 0F 0 160,-2.5 160,-2.6 -2,-0.5 2,-0.3 -0.944 21.5-129.9-115.4 129.0 12.4 7.6 14.5 496 104 B Q E -K 654 0F 3 -30,-2.5 158,-0.3 -2,-0.5 156,-0.0 -0.564 38.5-177.6 -72.5 130.0 14.9 6.7 17.2 497 105 B T E -K 653 0F 1 156,-2.4 2,-2.0 -2,-0.3 156,-1.7 -0.879 39.6 -89.1-131.9 166.5 18.1 5.6 15.5 498 106 B P S > S- 0 0 1 0, 0.0 4,-1.1 0, 0.0 154,-0.3 -0.502 92.1 -49.7 -76.0 83.0 21.5 4.2 16.2 499 107 B G H > S- 0 0 0 -2,-2.0 4,-1.5 152,-0.5 154,-0.3 0.000 79.2 -67.1 76.8 173.1 23.3 7.5 16.7 500 108 B G H > S+ 0 0 0 152,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.883 134.9 56.3 -65.3 -38.4 23.3 10.5 14.4 501 109 B T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 105.0 51.4 -60.1 -42.6 25.2 8.5 11.7 502 110 B G H X S+ 0 0 0 -4,-1.1 4,-2.2 -219,-0.4 -1,-0.2 0.863 107.6 53.4 -63.1 -36.5 22.5 5.9 11.8 503 111 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.924 108.5 49.7 -63.0 -44.7 19.9 8.6 11.3 504 112 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 111.2 49.1 -59.4 -46.6 21.8 9.9 8.2 505 113 B R H X S+ 0 0 3 -4,-2.2 4,-2.4 -223,-0.4 -1,-0.2 0.890 110.5 50.3 -61.9 -41.9 22.0 6.4 6.8 506 114 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.902 111.3 48.3 -64.3 -42.0 18.2 5.8 7.3 507 115 B A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.914 111.5 51.4 -64.1 -42.0 17.4 9.1 5.6 508 116 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 111.6 45.0 -61.0 -47.8 19.7 8.2 2.7 509 117 B D H X S+ 0 0 5 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.901 114.5 50.7 -63.7 -41.7 18.1 4.8 2.2 510 118 B F H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 3,-0.3 0.931 112.8 44.2 -62.4 -47.9 14.6 6.3 2.5 511 119 B L H X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 6,-0.4 0.903 110.7 55.9 -63.8 -43.3 15.4 9.0 -0.1 512 120 B A H < S+ 0 0 30 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.778 118.4 30.4 -62.4 -30.6 17.1 6.6 -2.5 513 121 B K H < S+ 0 0 110 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.644 126.2 38.1-105.1 -18.0 14.1 4.2 -2.7 514 122 B N H < S+ 0 0 38 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.454 113.9 40.1-114.0 -1.3 11.1 6.5 -2.2 515 123 B T S < S- 0 0 26 -4,-1.5 -513,-0.1 -5,-0.2 0, 0.0 -0.821 78.0-111.1-138.1 178.2 12.0 9.6 -4.0 516 124 B S + 0 0 96 -2,-0.3 -4,-0.1 -515,-0.2 -5,-0.1 0.266 67.2 134.5 -95.2 10.4 13.7 11.0 -7.1 517 125 B V + 0 0 3 -6,-0.4 -2,-0.1 1,-0.2 53,-0.1 -0.354 16.6 159.2 -61.8 138.1 16.6 12.4 -5.2 518 126 B K + 0 0 152 1,-0.3 22,-3.0 51,-0.2 2,-0.4 0.492 56.5 49.2-132.7 -19.9 19.9 11.6 -6.8 519 129 B R E -l 540 0F 37 50,-0.2 52,-2.2 20,-0.2 2,-0.4 -0.967 53.4-165.6-131.0 146.2 22.2 14.2 -5.4 520 133 B V E -lm 541 571F 0 20,-3.1 22,-2.9 -2,-0.4 2,-0.5 -0.994 15.2-144.7-131.5 129.5 23.2 15.6 -2.1 521 134 B W E +lm 542 572F 12 50,-2.8 52,-3.0 -2,-0.4 2,-0.4 -0.826 19.7 179.2 -97.2 126.0 25.1 18.8 -1.5 522 135 B V E -l 543 0F 2 20,-3.3 22,-2.0 -2,-0.5 4,-0.1 -0.932 30.8-101.9-124.6 148.3 27.6 19.0 1.3 523 136 B S E -l 544 0F 1 -2,-0.4 22,-0.2 50,-0.3 23,-0.1 -0.183 43.7 -91.8 -65.8 158.0 29.8 21.9 2.4 524 137 B N E S+l 545 0F 71 20,-1.7 23,-1.4 1,-0.2 22,-0.6 -0.959 115.4 21.5-116.3 110.0 33.5 22.1 1.6 525 138 B P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.629 90.6 154.6 -93.9 176.3 34.8 21.0 3.8 526 139 B S - 0 0 20 -2,-0.1 55,-0.2 -4,-0.1 5,-0.1 -0.971 57.2 -60.4-150.8 161.4 32.4 18.7 5.7 527 140 B W > - 0 0 26 53,-0.7 3,-2.1 -2,-0.3 4,-0.5 -0.210 51.5-135.5 -44.6 116.8 32.5 15.8 8.1 528 141 B P T >> S+ 0 0 98 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.731 98.5 67.4 -53.5 -26.9 34.2 13.1 5.8 529 142 B N H 3> S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.690 82.7 75.2 -71.2 -15.5 31.7 10.4 6.8 530 143 B H H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.2 5,-0.3 0.941 94.3 51.1 -60.2 -44.7 28.9 12.3 5.0 531 144 B K H <> S+ 0 0 67 -3,-0.5 4,-2.6 -4,-0.5 5,-0.2 0.921 110.3 47.4 -57.2 -50.3 30.3 11.1 1.7 532 145 B S H X S+ 0 0 57 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.882 110.7 51.6 -61.8 -42.4 30.4 7.4 2.6 533 146 B V H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.971 116.2 38.0 -60.4 -56.5 27.0 7.3 4.1 534 147 B F H ><>S+ 0 0 1 -4,-2.0 5,-2.5 1,-0.2 3,-0.8 0.893 115.2 53.0 -64.2 -41.6 25.2 8.8 1.1 535 148 B N H ><5S+ 0 0 86 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.871 103.1 60.0 -61.5 -36.1 27.4 7.1 -1.5 536 149 B S H 3<5S+ 0 0 34 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.801 103.3 50.2 -62.5 -28.3 26.5 3.8 0.2 537 150 B A T <<5S- 0 0 15 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.492 125.7-105.8 -86.8 -3.8 22.8 4.5 -0.5 538 151 B G T < 5S+ 0 0 61 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.697 74.3 141.9 87.1 22.3 23.8 5.1 -4.1 539 152 B L < - 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0 0 0 -3,-2.3 -339,-0.1 -343,-0.1 -59,-0.1 -0.724 55.7-176.8 -99.0 148.8 43.4 21.5 25.8 778 393 B T >> - 0 0 18 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.974 42.7-112.2-140.8 152.2 43.7 22.1 29.5 779 394 B P T 34 S+ 0 0 81 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.855 121.1 54.9 -51.2 -31.8 44.9 24.9 31.6 780 395 B D T 34 S+ 0 0 149 -344,-0.2 3,-0.2 1,-0.2 -3,-0.0 0.868 114.5 33.7 -71.3 -41.4 47.7 22.5 32.5 781 396 B N T <> S+ 0 0 31 -3,-0.5 4,-2.1 1,-0.1 -1,-0.2 0.486 92.4 95.0 -95.3 -2.3 48.9 21.7 29.0 782 397 B M H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.924 83.0 49.0 -52.7 -52.9 48.2 25.1 27.5 783 398 B A H > S+ 0 0 42 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.940 113.4 42.9 -55.2 -57.3 51.8 26.5 27.9 784 399 B P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.897 114.5 54.1 -58.4 -39.5 53.7 23.6 26.5 785 400 B L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.954 111.8 42.0 -58.6 -54.0 51.2 23.3 23.7 786 401 B C H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.834 110.2 56.8 -65.7 -34.1 51.6 26.9 22.7 787 402 B E H X S+ 0 0 102 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.892 108.5 48.0 -65.5 -36.8 55.3 27.0 23.0 788 403 B A H X S+ 0 0 5 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.927 111.6 48.9 -68.4 -45.1 55.5 24.1 20.6 789 404 B I H >X S+ 0 0 8 -4,-2.1 3,-2.2 1,-0.2 4,-1.2 0.962 109.1 52.7 -58.8 -50.6 53.3 25.7 18.1 790 405 B V H 3< S+ 0 0 38 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.852 103.0 60.4 -52.8 -36.6 55.2 28.9 18.3 791 407 B A H 3< S+ 0 0 45 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.670 107.9 43.5 -67.3 -18.0 58.3 26.9 17.6 792 408 B V H << 0 0 7 -3,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.619 360.0 360.0-103.5 -14.4 57.0 25.8 14.2 793 409 B L < 0 0 77 -4,-1.2 -2,-0.1 -3,-0.4 -1,-0.1 0.844 360.0 360.0 -60.3 360.0 55.5 29.1 12.9