==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-APR-05 1X28 . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GOTO . 794 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.5 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 . 49 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 0 5 1 2 0 4 4 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 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 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 45 0, 0.0 3,-0.7 0, 0.0 515,-0.1 0.000 360.0 360.0 360.0 -21.6 60.7 96.6 0.7 2 6 A F G > + 0 0 0 1,-0.2 3,-0.9 2,-0.1 657,-0.0 0.540 360.0 78.4 -82.4 -6.7 59.6 93.3 -0.8 3 7 A E G 3 S+ 0 0 104 1,-0.2 -1,-0.2 664,-0.0 656,-0.0 0.702 88.1 57.7 -74.9 -17.9 62.7 91.5 0.4 4 8 A N G < S+ 0 0 136 -3,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.448 80.1 109.7 -91.4 0.6 61.3 91.2 4.0 5 9 A I < - 0 0 4 -3,-0.9 2,-0.5 659,-0.1 510,-0.1 -0.605 61.9-142.5 -79.1 130.7 58.2 89.3 2.9 6 10 A T - 0 0 108 -2,-0.3 -2,-0.1 508,-0.1 -3,-0.0 -0.830 29.4-105.8 -95.0 129.1 58.1 85.7 4.0 7 11 A A - 0 0 51 -2,-0.5 661,-0.1 1,-0.1 660,-0.1 0.009 30.5-120.1 -48.3 153.8 56.5 83.3 1.4 8 12 A A - 0 0 21 659,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.768 26.5-113.2 -99.4 144.9 53.0 82.0 1.9 9 13 A P - 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.001 43.7 -88.5 -63.2-178.7 52.4 78.2 2.2 10 14 A A - 0 0 79 1,-0.1 6,-0.1 2,-0.0 4,-0.0 -0.651 45.9 -93.3 -94.5 153.6 50.4 76.5 -0.6 11 15 A D >> - 0 0 33 -2,-0.2 4,-1.6 1,-0.2 5,-0.8 -0.478 29.7-136.0 -63.9 124.8 46.6 76.2 -0.5 12 16 A P T 45S+ 0 0 72 0, 0.0 359,-0.4 0, 0.0 4,-0.2 0.798 103.4 21.9 -52.9 -26.0 45.9 72.8 1.1 13 17 A I T >5S+ 0 0 2 2,-0.1 4,-1.1 357,-0.1 20,-0.2 0.812 129.7 39.0-102.5 -76.8 43.3 72.5 -1.7 14 18 A L H >5S+ 0 0 15 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.795 113.7 60.4 -47.3 -34.4 44.1 74.8 -4.6 15 19 A G H >X5S+ 0 0 13 -4,-1.6 3,-3.8 1,-0.2 4,-0.8 0.993 96.1 57.2 -55.8 -70.7 47.8 73.9 -4.1 16 20 A L H >> S- 0 0 97 1,-0.1 3,-0.8 2,-0.1 2,-0.2 -0.263 73.3-116.8 -62.0 140.1 53.2 59.5 -14.8 26 30 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.525 93.7 42.5 -76.7 141.6 50.2 58.2 -16.8 27 31 A G T 3 S+ 0 0 65 1,-0.2 -2,-0.1 -2,-0.2 338,-0.0 0.386 73.9 163.2 105.2 -1.8 47.1 57.0 -15.0 28 32 A K < - 0 0 64 -3,-0.8 2,-0.4 -8,-0.1 -1,-0.2 -0.072 24.8-150.7 -47.7 149.0 47.1 59.8 -12.4 29 33 A I E -a 367 0A 10 337,-2.5 339,-3.1 333,-0.1 2,-0.7 -0.985 1.4-152.9-132.3 122.7 43.8 60.2 -10.6 30 34 A N E +a 368 0A 40 -2,-0.4 339,-0.1 337,-0.2 337,-0.1 -0.837 30.2 153.4 -99.5 110.3 42.6 63.6 -9.2 31 35 A L + 0 0 2 337,-2.3 345,-2.1 -2,-0.7 339,-0.4 0.009 52.6 89.6-121.3 24.7 40.3 63.4 -6.2 32 36 A G + 0 0 0 337,-0.2 338,-0.1 343,-0.2 -18,-0.1 0.835 66.7 48.6 -86.4-102.6 41.2 66.8 -4.8 33 37 A I S S- 0 0 27 -20,-0.2 2,-1.6 1,-0.2 343,-0.1 -0.046 86.5-111.1 -45.3 140.9 39.4 70.0 -5.7 34 38 A G + 0 0 0 343,-0.0 2,-0.4 344,-0.0 -1,-0.2 -0.539 63.9 134.2 -82.5 80.6 35.6 69.8 -5.5 35 39 A V - 0 0 6 -2,-1.6 2,-0.2 760,-0.1 211,-0.1 -0.927 55.2-111.0-123.8 149.5 34.5 70.0 -9.1 36 40 A Y - 0 0 20 -2,-0.4 2,-0.3 8,-0.1 343,-0.1 -0.529 32.2-173.9 -79.6 147.4 31.9 67.8 -10.7 37 41 A K - 0 0 41 341,-0.8 6,-0.2 -2,-0.2 343,-0.1 -0.989 14.2-137.7-138.9 144.7 32.9 65.3 -13.4 38 42 A D > - 0 0 36 4,-2.1 3,-2.2 -2,-0.3 276,-0.0 -0.197 46.6 -76.5 -89.2-171.4 30.7 63.2 -15.6 39 43 A E T 3 S+ 0 0 97 1,-0.3 344,-0.4 2,-0.1 -1,-0.0 0.806 132.4 55.2 -55.9 -32.8 31.2 59.5 -16.6 40 44 A T T 3 S- 0 0 100 2,-0.1 -1,-0.3 341,-0.1 3,-0.1 0.387 118.1-112.2 -84.4 4.3 33.9 60.6 -19.1 41 45 A G S < S+ 0 0 24 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.652 75.4 125.2 76.4 15.9 35.8 62.4 -16.4 42 46 A K - 0 0 134 417,-0.0 -4,-2.1 1,-0.0 -1,-0.2 -0.793 61.7-133.4-111.5 154.4 35.2 65.9 -17.7 43 47 A T - 0 0 10 -2,-0.3 417,-0.5 -6,-0.2 418,-0.3 -0.730 38.7-172.5-101.4 81.6 33.7 69.0 -16.2 44 48 A P - 0 0 48 0, 0.0 2,-0.5 0, 0.0 416,-0.2 -0.151 27.3-111.3 -71.7 166.9 31.2 70.1 -19.0 45 49 A V - 0 0 18 413,-0.4 204,-0.1 412,-0.1 5,-0.1 -0.883 44.5-106.4 -99.6 130.5 29.2 73.3 -19.2 46 50 A L > - 0 0 17 -2,-0.5 4,-2.0 202,-0.4 5,-0.1 -0.124 15.1-126.7 -55.4 152.1 25.5 72.6 -18.7 47 51 A T H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.879 111.9 56.6 -67.1 -40.7 23.2 72.8 -21.7 48 52 A S H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 109.3 48.8 -59.6 -34.0 20.9 75.2 -19.8 49 53 A V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 108.7 49.5 -73.3 -43.0 24.0 77.4 -19.4 50 54 A K H X S+ 0 0 54 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.877 111.3 53.0 -63.7 -35.4 25.0 77.2 -23.1 51 55 A K H X S+ 0 0 103 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.963 110.3 45.3 -61.5 -53.8 21.5 78.1 -24.0 52 56 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.867 110.8 54.8 -59.6 -37.6 21.4 81.1 -21.7 53 57 A E H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.906 107.0 49.1 -66.0 -39.9 24.8 82.2 -23.1 54 58 A Q H X S+ 0 0 98 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.936 110.2 52.7 -63.9 -42.4 23.6 82.2 -26.6 55 59 A Y H X S+ 0 0 121 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 110.4 47.0 -57.6 -43.4 20.6 84.2 -25.6 56 60 A L H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 108.6 54.8 -67.0 -37.7 22.8 86.8 -23.9 57 61 A L H < S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.6 44.3 -63.1 -35.6 25.1 87.0 -27.0 58 62 A E H < S+ 0 0 132 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.833 124.1 30.7 -78.3 -35.2 22.1 87.8 -29.1 59 63 A N H < S+ 0 0 91 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.609 82.9 107.5-106.5 -10.3 20.4 90.3 -26.9 60 64 A E < + 0 0 34 -4,-2.3 382,-0.1 -5,-0.2 3,-0.1 -0.529 33.5 174.1 -70.1 130.4 23.0 92.2 -24.9 61 66 A T + 0 0 110 -2,-0.3 2,-0.3 1,-0.2 381,-0.3 0.478 63.6 19.4-112.6 -7.5 23.3 95.8 -26.2 62 67 A T - 0 0 48 379,-0.2 -1,-0.2 2,-0.1 380,-0.1 -0.994 47.6-150.6-159.1 157.4 25.7 97.1 -23.6 63 68 A K + 0 0 0 377,-0.4 586,-2.6 -2,-0.3 587,-0.2 0.047 47.4 154.2-115.8 20.2 28.2 96.2 -20.9 64 69 A N - 0 0 60 376,-0.3 -2,-0.1 584,-0.2 368,-0.0 -0.112 55.2 -78.8 -50.0 148.1 27.5 99.3 -18.9 65 70 A Y - 0 0 27 1,-0.1 2,-0.2 583,-0.1 -1,-0.1 -0.074 42.2-133.4 -50.3 145.6 28.1 99.0 -15.1 66 71 A L - 0 0 35 220,-0.3 -1,-0.1 1,-0.2 5,-0.1 -0.505 36.7 -86.3 -93.0 167.1 25.7 97.2 -12.9 67 72 A G > - 0 0 36 3,-0.2 3,-2.3 -2,-0.2 -1,-0.2 -0.277 48.3 -96.8 -68.2 164.2 24.5 98.7 -9.6 68 73 A I T 3 S+ 0 0 24 1,-0.3 -1,-0.1 217,-0.1 -2,-0.1 0.906 126.7 46.5 -48.5 -44.3 26.7 98.0 -6.6 69 74 A D T 3 S- 0 0 44 1,-0.2 30,-1.8 216,-0.1 -1,-0.3 0.312 107.8-133.0 -85.2 8.1 24.4 95.1 -5.6 70 75 A G < + 0 0 4 -3,-2.3 -1,-0.2 28,-0.2 -3,-0.2 -0.109 56.2 2.5 77.8-172.5 24.1 93.5 -9.1 71 76 A I > - 0 0 32 1,-0.1 4,-1.5 2,-0.1 3,-0.2 -0.306 58.7-144.5 -57.0 122.4 21.2 92.3 -11.2 72 77 A P H > S+ 0 0 110 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.911 99.8 49.7 -52.8 -51.4 17.8 92.9 -9.4 73 78 A E H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.839 102.8 63.6 -60.8 -33.8 16.2 89.7 -10.7 74 79 A F H > S+ 0 0 2 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 105.1 44.8 -55.3 -51.4 19.2 87.8 -9.6 75 80 A G H X S+ 0 0 9 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.892 111.2 51.7 -61.0 -43.6 18.5 88.7 -5.9 76 81 A R H X S+ 0 0 113 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.918 111.1 49.0 -60.3 -44.5 14.8 88.0 -6.1 77 82 A C H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.898 110.4 48.9 -64.1 -41.7 15.4 84.6 -7.5 78 83 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.904 107.8 55.7 -67.5 -37.5 18.0 83.6 -4.9 79 84 A Q H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 5,-0.4 0.842 108.6 47.7 -62.5 -33.6 15.7 84.7 -2.1 80 85 A E H X S+ 0 0 55 -4,-1.5 4,-2.7 3,-0.2 -1,-0.2 0.945 110.5 51.1 -71.7 -46.8 13.0 82.4 -3.4 81 86 A L H < S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.917 118.9 38.6 -53.6 -46.3 15.4 79.5 -3.7 82 87 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.954 132.2 20.4 -71.9 -52.7 16.6 80.0 -0.2 83 88 A F H < S- 0 0 11 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.667 112.4 -96.6 -95.9 -19.9 13.4 81.0 1.7 84 89 A G >< - 0 0 9 -4,-2.7 3,-2.3 -5,-0.4 6,-0.2 0.052 33.7 -85.8 110.1 138.7 10.6 79.7 -0.5 85 90 A K T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -5,-0.1 -4,-0.1 0.838 127.9 31.2 -42.9 -48.4 8.4 81.2 -3.1 86 91 A G T 3 S+ 0 0 60 -6,-0.1 -1,-0.3 -3,-0.1 5,-0.1 0.205 87.3 156.5-102.2 19.6 5.8 82.5 -0.7 87 92 A S <> - 0 0 23 -3,-2.3 4,-1.9 1,-0.1 -3,-0.1 0.038 44.7-138.1 -45.0 146.5 8.2 83.1 2.3 88 93 A A H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 6,-0.2 0.848 103.1 61.9 -75.4 -35.9 7.1 85.6 4.9 89 94 A L H 4>S+ 0 0 7 1,-0.2 5,-2.8 2,-0.2 6,-0.5 0.868 109.9 42.1 -57.1 -37.7 10.7 87.1 5.1 90 95 A I H >45S+ 0 0 35 3,-0.2 3,-1.5 -6,-0.2 -2,-0.2 0.924 112.9 51.2 -75.5 -46.8 10.2 88.1 1.4 91 96 A N H 3<5S+ 0 0 110 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.860 113.3 45.3 -59.9 -36.5 6.7 89.3 1.7 92 97 A D T 3<5S- 0 0 106 -4,-2.8 173,-0.4 -5,-0.1 -1,-0.3 0.398 111.2-126.3 -87.1 3.6 7.6 91.5 4.7 93 98 A K T < 5 + 0 0 112 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.869 61.3 143.9 53.6 45.6 10.7 92.7 2.7 94 99 A R < + 0 0 36 -5,-2.8 168,-2.0 -6,-0.2 2,-0.4 0.449 51.3 72.8 -90.8 -0.6 13.1 91.8 5.5 95 100 A A E -B 261 0B 7 -6,-0.5 2,-0.4 166,-0.2 166,-0.2 -0.937 51.5-175.7-124.4 141.0 15.8 90.6 3.1 96 101 A R E -B 260 0B 59 164,-2.1 164,-2.9 -2,-0.4 2,-0.4 -0.966 13.8-156.3-126.0 142.9 18.3 92.3 0.7 97 102 A T E -B 259 0B 13 -2,-0.4 2,-0.5 162,-0.2 162,-0.2 -0.978 3.8-161.0-128.4 129.2 20.6 90.3 -1.5 98 103 A A E -B 258 0B 0 160,-2.8 160,-2.5 -2,-0.4 2,-0.3 -0.915 21.3-128.1-111.0 130.2 23.9 91.4 -3.1 99 104 A Q E -B 257 0B 3 -30,-1.8 158,-0.3 -2,-0.5 156,-0.0 -0.580 37.5-177.0 -71.9 129.3 25.4 89.7 -6.1 100 105 A T E -B 256 0B 1 156,-2.1 2,-1.7 -2,-0.3 156,-1.5 -0.810 39.4 -93.9-128.0 165.6 29.0 88.8 -5.3 101 106 A P E > S-B 255 0B 0 0, 0.0 4,-0.9 0, 0.0 154,-0.3 -0.613 92.9 -42.4 -82.3 87.0 32.0 87.2 -7.0 102 107 A G H > S- 0 0 0 -2,-1.7 4,-1.5 152,-0.6 154,-0.3 0.032 79.1 -71.8 80.8 169.2 31.4 83.7 -5.8 103 108 A G H > S+ 0 0 2 152,-0.3 4,-2.1 2,-0.2 5,-0.2 0.839 134.2 58.7 -66.7 -32.0 30.4 82.3 -2.4 104 109 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 104.9 50.7 -60.4 -44.3 33.9 83.2 -1.2 105 110 A G H X S+ 0 0 1 -4,-0.9 4,-2.3 575,-0.3 -1,-0.2 0.841 107.8 52.1 -62.4 -35.1 33.1 86.8 -2.2 106 111 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.855 109.5 49.7 -69.3 -35.1 29.8 86.6 -0.3 107 112 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.866 111.8 49.3 -70.7 -36.5 31.7 85.4 2.8 108 113 A R H X S+ 0 0 2 -4,-2.1 4,-3.0 571,-0.4 5,-0.2 0.912 110.9 46.2 -70.8 -46.0 34.2 88.3 2.5 109 114 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.894 112.9 52.1 -66.4 -33.6 31.8 91.1 2.1 110 115 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.920 112.2 46.7 -64.5 -40.4 29.8 89.7 5.0 111 116 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.901 113.0 46.7 -68.2 -43.3 33.0 89.7 7.0 112 117 A D H X S+ 0 0 20 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.901 113.0 52.2 -64.9 -38.9 34.0 93.2 6.0 113 118 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.954 112.2 43.4 -60.1 -53.6 30.5 94.4 6.8 114 119 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 6,-0.3 0.892 112.7 53.0 -60.7 -43.7 30.4 92.9 10.3 115 120 A A H < S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 118.0 34.6 -60.5 -44.4 33.9 94.1 11.1 116 121 A K H < S+ 0 0 80 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.708 127.8 32.2 -86.7 -20.4 33.2 97.7 10.2 117 122 A N H < S+ 0 0 41 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.379 110.5 47.0-121.9 5.4 29.6 98.1 11.3 118 123 A T S < S- 0 0 28 -4,-1.5 281,-0.1 -5,-0.2 0, 0.0 -0.827 75.1-114.6-137.6 178.4 28.9 95.8 14.3 119 124 A S + 0 0 99 -2,-0.3 -4,-0.1 279,-0.2 -5,-0.0 0.375 67.6 134.0 -95.3 4.8 30.3 94.8 17.7 120 125 A V + 0 0 10 -6,-0.3 -2,-0.2 1,-0.2 53,-0.1 -0.311 20.6 164.8 -55.7 130.0 30.9 91.3 16.5 121 126 A K + 0 0 57 1,-0.2 22,-1.8 51,-0.2 2,-0.4 0.566 56.6 45.3-122.3 -18.8 34.4 90.2 17.5 122 129 A R E -c 143 0B 48 50,-0.2 52,-2.6 20,-0.2 2,-0.4 -0.980 53.0-164.3-138.1 142.1 34.3 86.4 17.0 123 133 A V E -cd 144 174B 0 20,-2.3 22,-2.5 -2,-0.4 2,-0.6 -0.980 16.4-146.4-122.3 129.4 33.1 83.9 14.5 124 134 A W E -cd 145 175B 11 50,-2.9 52,-2.7 -2,-0.4 2,-0.3 -0.877 19.8-179.9-102.5 121.0 32.6 80.2 15.3 125 135 A V E -c 146 0B 6 20,-3.0 22,-1.9 -2,-0.6 2,-0.1 -0.812 29.4-104.9-114.8 154.6 33.4 77.7 12.6 126 136 A S E -c 147 0B 2 -2,-0.3 22,-0.2 20,-0.2 23,-0.1 -0.374 38.4-102.4 -76.7 158.9 33.2 73.9 12.8 127 137 A N E S+c 148 0B 83 20,-1.7 23,-0.8 -2,-0.1 22,-0.8 -0.985 107.2 27.5-128.0 117.4 36.2 71.6 13.0 128 138 A P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 57,-0.1 0.597 92.6 139.7 -81.0 176.7 36.9 70.4 10.5 129 139 A S - 0 0 20 -2,-0.2 -2,-0.0 55,-0.1 -4,-0.0 -0.915 62.2 -51.7-159.8-178.4 35.6 72.8 7.9 130 140 A W > - 0 0 2 53,-0.4 3,-1.8 -2,-0.3 4,-0.4 -0.564 54.7-134.2 -65.5 123.4 36.5 74.3 4.5 131 141 A P T >> S+ 0 0 55 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.811 99.3 61.0 -50.0 -39.9 40.1 75.7 5.2 132 142 A N H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.634 83.6 79.7 -69.3 -14.5 39.4 79.1 3.6 133 143 A H H <> S+ 0 0 0 -3,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.939 95.9 45.8 -57.1 -47.3 36.7 79.9 6.1 134 144 A K H <> S+ 0 0 93 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.870 111.4 51.8 -65.0 -37.6 39.3 80.9 8.6 135 145 A S H X S+ 0 0 55 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.851 107.2 54.0 -67.2 -35.9 41.3 82.9 6.1 136 146 A V H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.949 113.2 39.3 -65.8 -50.1 38.3 84.9 5.0 137 147 A F H ><>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 3,-1.3 0.878 112.2 56.3 -69.6 -37.5 37.2 86.1 8.5 138 148 A N H ><5S+ 0 0 83 -4,-2.0 3,-2.4 1,-0.3 -1,-0.2 0.871 97.9 63.7 -61.1 -37.0 40.8 86.7 9.7 139 149 A S T 3<5S+ 0 0 18 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.740 103.2 48.6 -60.8 -21.0 41.3 89.0 6.7 140 150 A A T < 5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.368 124.3-108.2 -96.3 1.9 38.6 91.3 8.2 141 151 A G T < 5S+ 0 0 67 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.607 71.3 144.0 83.4 10.3 40.4 91.1 11.6 142 152 A L < - 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0 0 5 0, 0.0 4,-0.7 0, 0.0 363,-0.3 -0.479 31.6-152.2 -67.7 128.1 30.8 90.6 -12.9 288 300 A A H > S+ 0 0 1 361,-2.7 4,-2.9 -2,-0.2 5,-0.3 0.879 74.2 70.8 -71.5 -44.9 27.6 90.4 -15.1 289 301 A H H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 101.0 41.2 -44.6 -62.6 28.0 87.2 -17.2 290 302 A G H > S+ 0 0 2 -37,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.925 119.0 45.9 -54.3 -48.9 27.7 84.5 -14.7 291 303 A A H X S+ 0 0 1 -4,-0.7 4,-2.6 -38,-0.2 5,-0.2 0.852 109.4 55.4 -65.1 -35.4 24.8 86.2 -12.8 292 304 A S H X S+ 0 0 17 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.934 108.0 49.6 -61.9 -45.6 23.0 87.0 -16.1 293 305 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.963 113.0 46.0 -56.5 -54.2 23.1 83.3 -17.0 294 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.913 114.0 47.1 -57.9 -46.6 21.7 82.2 -13.7 295 307 A A H X S+ 0 0 8 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.866 111.0 53.3 -64.7 -35.1 18.9 84.8 -13.6 296 308 A T H X S+ 0 0 29 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.906 113.1 43.3 -65.5 -41.2 18.0 84.0 -17.2 297 309 A I H < S+ 0 0 0 -4,-2.3 7,-0.5 1,-0.2 3,-0.3 0.919 113.2 49.4 -71.6 -45.3 17.6 80.3 -16.3 298 310 A L H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.727 114.5 47.4 -66.5 -22.9 15.8 80.8 -13.0 299 311 A S H < S+ 0 0 53 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.2 0.674 97.9 74.6 -92.3 -21.7 13.3 83.2 -14.8 300 312 A N X - 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0 0 59 1,-0.1 4,-3.3 -3,-0.1 5,-0.3 -0.453 24.4-105.1 -88.3 164.0 30.7 125.1 -8.3 752 367 B K H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.916 123.1 51.5 -54.2 -44.6 28.7 122.6 -6.3 753 368 B E H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.868 112.5 45.3 -61.9 -37.5 25.7 124.9 -6.2 754 369 B Q H > S+ 0 0 40 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.4 51.7 -71.0 -45.0 25.8 125.4 -9.9 755 370 B V H X S+ 0 0 3 -4,-3.3 4,-1.3 1,-0.2 11,-0.2 0.878 111.3 50.7 -58.0 -36.5 26.3 121.6 -10.5 756 371 B L H X S+ 0 0 91 -4,-2.4 4,-2.9 -5,-0.3 3,-0.3 0.939 108.1 49.4 -67.9 -47.2 23.2 121.2 -8.2 757 372 B R H X>S+ 0 0 91 -4,-2.2 4,-2.9 1,-0.2 5,-0.8 0.875 105.8 58.8 -61.3 -35.9 21.1 123.7 -10.1 758 373 B L H X5S+ 0 0 3 -4,-2.5 6,-2.7 3,-0.2 4,-0.8 0.894 112.7 39.5 -58.9 -40.1 22.0 121.9 -13.4 759 374 B R H X5S+ 0 0 63 -4,-1.3 4,-1.1 -3,-0.3 -2,-0.2 0.971 120.0 43.9 -73.0 -55.0 20.5 118.7 -12.0 760 375 B E H <5S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.900 128.0 22.6 -58.6 -49.7 17.5 120.3 -10.2 761 376 B E H <5S+ 0 0 114 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.784 135.5 26.0 -95.7 -27.5 16.3 122.7 -12.9 762 377 B F H < - 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0 0 0 -3,-1.6 -343,-0.1 -4,-0.2 -339,-0.1 -0.717 49.6-179.0 -91.6 135.7 28.2 114.4 -25.1 778 393 B T >> - 0 0 7 -2,-0.4 4,-1.5 -341,-0.1 3,-0.8 -0.888 44.2-104.5-129.0 160.0 26.7 113.9 -28.6 779 394 B P T 34 S+ 0 0 63 0, 0.0 4,-0.5 0, 0.0 -342,-0.1 0.852 120.7 53.4 -51.2 -34.1 25.9 116.2 -31.5 780 395 B D T 34 S+ 0 0 144 -344,-0.4 3,-0.1 1,-0.2 -343,-0.1 0.789 113.6 35.7 -74.3 -32.7 22.3 116.0 -30.4 781 396 B N T <> S+ 0 0 30 -3,-0.8 4,-2.3 1,-0.1 5,-0.2 0.507 93.0 90.8 -99.9 -4.2 22.5 116.9 -26.7 782 397 B M H X S+ 0 0 5 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.909 87.2 46.6 -56.9 -47.9 25.3 119.5 -27.1 783 398 B A H > S+ 0 0 38 -4,-0.5 4,-2.3 2,-0.2 5,-0.2 0.973 115.2 42.6 -61.9 -58.8 22.9 122.5 -27.6 784 399 B P H > S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.911 116.0 53.9 -53.3 -42.4 20.4 121.8 -24.8 785 400 B L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.895 110.0 43.4 -58.7 -47.6 23.5 121.0 -22.6 786 401 B C H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.817 109.0 57.5 -73.4 -29.4 25.3 124.2 -23.2 787 402 B E H X S+ 0 0 99 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.927 106.4 50.8 -65.7 -41.5 22.2 126.4 -22.8 788 403 B A H X S+ 0 0 3 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.914 111.6 46.5 -61.3 -45.4 21.8 124.9 -19.3 789 404 B I H >X S+ 0 0 9 -4,-1.6 4,-1.3 1,-0.2 3,-1.3 0.967 112.3 48.9 -62.5 -53.0 25.4 125.7 -18.3 790 405 B V H >< S+ 0 0 32 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.888 107.6 57.2 -52.7 -42.4 25.3 129.2 -19.6 791 406 B A H 3< S+ 0 0 53 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.739 112.7 39.5 -61.8 -27.0 22.0 129.8 -17.8 792 408 B V H << 0 0 9 -3,-1.3 -1,-0.2 -4,-1.0 -2,-0.2 0.547 360.0 360.0 -99.4 -10.2 23.6 128.9 -14.5 793 409 B L << 0 0 69 -4,-1.3 -3,-0.0 -3,-0.5 -60,-0.0 -0.080 360.0 360.0 -57.3 360.0 26.9 130.7 -15.2 794 !* 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 0.0 795 413 A X 0 0 2 0, 0.0 -762,-0.1 0, 0.0 -760,-0.1 0.000 360.0 360.0 360.0 360.0 35.5 73.6 -3.1 796 !* 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 0.0 797 1413 B X 0 0 3 0, 0.0 -367,-0.1 0, 0.0 -365,-0.1 0.000 360.0 360.0 360.0 360.0 34.9 106.0 -13.5