==== 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 TRANSFERASE 16-AUG-02 1MGV . COMPND 2 MOLECULE: 7,8-DIAMINO-PELARGONIC ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.C.ELIOT,J.SANDMARK,G.SCHNEIDER,J.F.KIRSCH . 856 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 622 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 60 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 0 0 0 1 2 5 0 0 6 1 3 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 5 4 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 PARALLEL BRIDGES PER LADDER . 8 2 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 3 1 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 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 58 0, 0.0 29,-0.0 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 96.3 45.0 17.2 48.2 2 2 A T > - 0 0 79 1,-0.1 4,-1.7 4,-0.0 3,-0.2 -0.174 360.0-105.0 -55.6 166.0 42.3 16.9 50.8 3 3 A T H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.843 124.5 58.7 -67.7 -34.3 41.9 13.9 53.1 4 4 A D H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.834 102.5 52.7 -63.1 -34.5 38.9 13.0 50.9 5 5 A D H > S+ 0 0 37 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.921 111.1 46.1 -64.7 -45.2 41.3 12.9 47.9 6 6 A L H X S+ 0 0 54 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.832 110.1 54.3 -71.0 -30.8 43.6 10.5 49.8 7 7 A A H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.894 108.5 49.7 -63.4 -42.0 40.6 8.4 50.8 8 8 A F H X S+ 0 0 28 -4,-1.9 4,-2.3 1,-0.2 5,-0.4 0.898 109.4 51.2 -66.0 -39.8 39.6 8.1 47.2 9 9 A D H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 109.8 49.1 -62.3 -47.6 43.1 7.1 46.2 10 10 A Q H < S+ 0 0 108 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.927 119.5 37.6 -61.0 -42.5 43.2 4.3 48.9 11 11 A R H < S+ 0 0 120 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.765 132.4 19.6 -81.9 -27.6 39.9 2.9 47.9 12 12 A H H < S+ 0 0 32 -4,-2.3 523,-3.0 -5,-0.2 2,-0.6 0.618 101.4 81.4-120.5 -19.2 39.9 3.3 44.1 13 13 A I B < -a 535 0A 3 -4,-2.3 2,-0.3 -5,-0.4 523,-0.2 -0.846 61.0-147.9-104.7 114.2 43.5 3.7 42.8 14 14 A L - 0 0 9 521,-2.3 523,-0.4 -2,-0.6 5,-0.1 -0.595 15.8-165.6 -71.8 133.7 45.7 0.7 42.3 15 15 A H > - 0 0 15 -2,-0.3 3,-0.7 3,-0.1 720,-0.2 -0.625 41.3 -61.8-107.7 173.2 49.4 1.3 42.8 16 16 A P T 3 S- 0 0 12 0, 0.0 720,-0.2 0, 0.0 495,-0.1 -0.380 106.8 -20.6 -62.5 136.4 52.2 -1.0 41.7 17 17 A Y T 3 S+ 0 0 77 718,-2.0 2,-0.3 716,-0.4 717,-0.1 0.785 104.0 122.8 37.3 54.9 52.4 -4.5 43.2 18 18 A T < - 0 0 39 -3,-0.7 715,-0.8 715,-0.4 2,-0.3 -0.970 63.4 -97.9-143.1 159.4 50.2 -3.8 46.3 19 19 A S - 0 0 18 -2,-0.3 5,-0.2 3,-0.3 713,-0.1 -0.556 11.8-158.9 -80.8 138.6 47.0 -5.0 47.9 20 20 A M S S+ 0 0 16 702,-0.3 -1,-0.1 -2,-0.3 703,-0.1 0.573 98.1 45.0 -85.0 -11.2 43.7 -3.2 47.4 21 21 A T S S+ 0 0 43 710,-0.2 -1,-0.1 701,-0.2 702,-0.1 0.793 124.1 29.4 -97.3 -36.9 42.4 -4.8 50.7 22 22 A S S S- 0 0 98 709,-0.2 -3,-0.3 704,-0.1 -1,-0.1 -0.352 87.3-177.3-121.3 50.9 45.4 -4.3 52.9 23 23 A P - 0 0 43 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.118 15.6-140.7 -56.6 142.0 46.7 -1.1 51.4 24 24 A L - 0 0 41 -5,-0.2 487,-0.1 1,-0.1 -2,-0.0 -0.734 37.2 -74.5-101.9 154.2 49.9 0.5 52.8 25 25 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.084 43.8-164.8 -51.1 137.9 50.5 4.2 53.2 26 26 A V - 0 0 33 -3,-0.1 486,-0.3 -20,-0.1 485,-0.1 -0.907 15.1-130.1-117.2 158.2 51.2 6.4 50.2 27 27 A Y E -h 512 0B 23 484,-2.4 486,-2.1 -2,-0.3 2,-0.6 -0.908 16.4-126.0-112.9 131.7 52.6 9.9 50.4 28 28 A P E -h 513 0B 21 0, 0.0 12,-1.9 0, 0.0 2,-0.5 -0.620 25.6-168.1 -81.4 114.3 51.0 12.9 48.5 29 29 A V E +I 39 0C 1 484,-2.4 486,-0.4 -2,-0.6 10,-0.3 -0.884 13.4 178.9-103.3 126.0 53.6 14.6 46.3 30 30 A V E - 0 0 62 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.777 65.7 -19.3 -95.6 -31.3 52.6 18.0 44.9 31 31 A S E -I 38 0C 23 7,-1.4 7,-2.8 2,-0.0 -1,-0.3 -0.953 54.4-140.3-163.5 176.0 55.8 18.9 43.0 32 32 A A E +I 37 0C 0 471,-2.0 2,-0.3 -2,-0.3 5,-0.2 -0.993 14.7 176.7-149.8 146.4 59.4 18.1 42.6 33 33 A E E > -I 36 0C 83 3,-2.4 3,-2.4 -2,-0.3 2,-0.3 -0.983 59.9 -21.6-154.7 140.8 62.6 20.1 42.0 34 34 A G B 3 S-L 59 0D 35 25,-1.8 25,-3.2 -2,-0.3 27,-0.1 -0.463 127.8 -29.6 62.3-123.5 66.3 19.4 41.8 35 35 A C T 3 S+ 0 0 6 -2,-0.3 12,-3.2 23,-0.2 2,-0.4 -0.045 119.8 101.8-110.4 27.4 66.7 16.1 43.7 36 36 A E E < -IJ 33 46C 37 -3,-2.4 -3,-2.4 10,-0.2 2,-0.4 -0.924 55.9-153.8-123.1 141.6 63.8 16.8 46.0 37 37 A L E -IJ 32 45C 0 8,-3.0 8,-2.8 -2,-0.4 2,-0.6 -0.898 16.5-148.0-105.3 138.8 60.2 15.7 46.3 38 38 A I E -IJ 31 44C 18 -7,-2.8 -8,-2.5 -2,-0.4 -7,-1.4 -0.929 9.5-150.7-114.3 118.7 57.7 18.1 47.9 39 39 A L E > -I 29 0C 5 4,-2.6 3,-1.8 -2,-0.6 -10,-0.2 -0.287 32.6-100.1 -77.5 168.9 54.8 16.7 49.8 40 40 A S T 3 S+ 0 0 50 -12,-1.9 -11,-0.1 1,-0.3 -1,-0.1 0.722 121.7 56.8 -60.5 -28.4 51.4 18.3 50.3 41 41 A D T 3 S- 0 0 89 -13,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.345 121.8-104.7 -89.0 5.0 52.3 19.5 53.8 42 42 A G S < S+ 0 0 47 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.163 74.0 140.7 98.0 -19.9 55.4 21.4 52.4 43 43 A R - 0 0 109 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.317 43.0-138.0 -59.4 138.4 58.0 18.9 53.6 44 44 A R E -J 38 0C 96 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.791 13.7-164.1-106.7 138.7 60.9 18.2 51.3 45 45 A L E -J 37 0C 2 -8,-2.8 -8,-3.0 -2,-0.4 2,-0.4 -0.980 20.7-129.5-124.6 131.9 62.4 14.7 50.6 46 46 A V E -Jk 36 388C 0 341,-2.3 343,-3.0 -2,-0.4 2,-0.8 -0.682 32.2-126.6 -75.9 129.9 65.7 14.1 49.1 47 47 A D E + k 0 389C 0 -12,-3.2 343,-0.1 -2,-0.4 3,-0.1 -0.688 35.1 170.3 -90.8 111.7 65.1 11.5 46.3 48 48 A G S S+ 0 0 0 341,-2.2 352,-3.2 -2,-0.8 -1,-0.2 0.441 74.1 55.3 -92.7 1.2 67.3 8.4 46.6 49 49 A M S > S- 0 0 0 340,-0.3 4,-2.2 350,-0.2 3,-0.3 0.617 86.6-135.7-112.4 -15.6 65.4 6.5 43.9 50 50 A S T 4>S- 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-0.3 0.838 73.1 -67.4 56.4 36.7 65.3 8.6 40.7 51 51 A S T >45S- 0 0 0 3,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.954 111.7 -32.6 44.3 56.0 61.6 7.6 40.5 52 52 A W T 345S- 0 0 51 -3,-0.3 2,-0.9 1,-0.2 -2,-0.2 0.997 118.8 -49.5 63.2 67.5 62.8 4.1 39.8 53 53 A W T 3<5S+ 0 0 21 -4,-2.2 -1,-0.2 347,-0.3 -2,-0.2 -0.002 121.1 91.9 77.4 -31.0 66.1 4.6 37.9 54 54 A A T < 5 + 0 0 0 -2,-0.9 2,-2.3 -3,-0.6 3,-0.2 0.807 61.4 71.2 -72.8 -41.1 64.7 7.1 35.4 55 55 A A > < + 0 0 0 -5,-2.6 3,-2.1 1,-0.2 -1,-0.2 -0.356 51.7 155.3 -80.6 61.0 65.1 10.7 36.7 56 56 A I T 3 S+ 0 0 0 -2,-2.3 347,-2.3 1,-0.3 348,-0.6 0.709 76.0 45.2 -62.8 -18.5 68.9 10.7 36.2 57 57 A H T 3 S- 0 0 6 1,-0.4 -1,-0.3 -3,-0.2 -23,-0.1 0.117 112.0-124.2-107.8 16.0 68.8 14.5 35.9 58 58 A G < - 0 0 3 -3,-2.1 -1,-0.4 -23,-0.1 3,-0.3 -0.360 44.8 -46.7 74.8-158.7 66.5 15.0 38.9 59 59 A Y B S+L 34 0D 12 -25,-3.2 -25,-1.8 1,-0.2 -23,-0.1 -0.744 111.2 16.8-118.0 159.5 63.2 16.9 38.6 60 60 A N S S- 0 0 46 -2,-0.2 -1,-0.2 -27,-0.2 -26,-0.1 0.891 75.7-176.4 45.8 46.5 62.1 20.2 37.0 61 61 A H > - 0 0 38 -3,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.597 26.2-137.0 -72.5 127.4 65.3 20.3 35.0 62 62 A P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.887 101.4 46.6 -53.5 -42.0 65.3 23.6 33.0 63 63 A Q H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.976 112.8 46.8 -66.5 -54.8 66.5 22.0 29.9 64 64 A L H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 113.3 51.5 -52.2 -48.2 64.1 19.1 29.9 65 65 A N H X S+ 0 0 21 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.951 110.4 45.9 -54.5 -55.7 61.3 21.5 30.7 66 66 A A H X S+ 0 0 56 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.879 112.6 51.1 -60.4 -39.1 62.0 23.9 27.8 67 67 A A H X S+ 0 0 27 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.934 113.0 46.1 -64.7 -42.0 62.5 21.0 25.3 68 68 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.955 113.8 47.6 -63.5 -51.1 59.1 19.5 26.4 69 69 A K H X S+ 0 0 59 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.862 111.4 52.2 -60.4 -35.5 57.3 22.9 26.2 70 70 A S H X S+ 0 0 75 -4,-2.2 4,-1.4 -5,-0.3 3,-0.5 0.932 108.6 48.2 -68.2 -45.8 58.8 23.6 22.8 71 71 A Q H X S+ 0 0 25 -4,-2.3 4,-3.5 1,-0.3 3,-0.4 0.914 106.6 58.9 -60.8 -38.3 57.7 20.3 21.3 72 72 A I H < S+ 0 0 1 -4,-2.3 4,-0.5 1,-0.2 -1,-0.3 0.866 103.1 52.8 -58.1 -35.2 54.2 21.0 22.7 73 73 A D H < S+ 0 0 85 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.823 118.2 35.7 -71.2 -33.5 54.1 24.2 20.7 74 74 A A H < S- 0 0 28 -4,-1.4 387,-1.9 -3,-0.4 -2,-0.2 0.935 139.8 -48.9 -79.6 -57.8 55.0 22.4 17.5 75 75 A M < - 0 0 3 -4,-3.5 -2,-0.2 385,-0.2 -1,-0.2 -0.644 34.8-154.7-179.3 120.9 53.0 19.2 18.2 76 76 A S S S+ 0 0 13 -4,-0.5 239,-2.5 1,-0.2 2,-0.3 0.913 85.6 7.1 -68.9 -36.5 53.0 16.9 21.3 77 77 A H + 0 0 1 237,-0.2 2,-0.3 631,-0.2 -1,-0.2 -0.996 53.8 163.2-150.7 146.8 51.9 14.0 19.0 78 78 A V - 0 0 0 -2,-0.3 5,-0.0 -3,-0.1 380,-0.0 -0.966 46.6 -93.3-149.1 151.2 51.3 12.8 15.5 79 79 A M - 0 0 0 -2,-0.3 231,-0.1 1,-0.1 230,-0.1 -0.200 22.4-144.2 -63.6 153.8 51.0 9.2 14.2 80 80 A F + 0 0 0 229,-0.4 2,-0.7 231,-0.1 3,-0.5 0.382 66.5 106.0-103.6 1.5 54.1 7.4 12.9 81 81 A G S S- 0 0 12 1,-0.2 3,-0.1 363,-0.1 -2,-0.1 -0.774 105.4 -10.6 -86.3 114.4 52.5 5.4 10.0 82 82 A G S S+ 0 0 17 -2,-0.7 374,-3.2 1,-0.2 2,-0.3 0.562 125.5 91.2 75.5 10.0 53.5 7.1 6.7 83 83 A I E -m 456 0E 1 -3,-0.5 2,-0.3 372,-0.3 -1,-0.2 -0.981 49.0-177.9-140.0 141.6 54.9 10.0 8.7 84 84 A T E -m 457 0E 0 372,-1.5 374,-2.4 -2,-0.3 2,-0.3 -0.868 9.9-168.8-132.4 166.8 58.3 10.9 10.2 85 85 A H E > -m 458 0E 0 -2,-0.3 4,-1.8 372,-0.2 3,-0.2 -0.973 34.8 -99.3-156.2 163.6 59.3 14.0 12.2 86 86 A A H > S+ 0 0 50 372,-0.5 4,-3.3 -2,-0.3 5,-0.3 0.905 112.9 51.7 -58.7 -51.6 62.3 15.8 13.6 87 87 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.884 111.6 47.2 -55.5 -41.4 62.4 14.5 17.2 88 88 A A H > S+ 0 0 0 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.920 114.6 47.3 -67.3 -39.7 62.2 10.9 16.2 89 89 A I H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.969 114.8 44.9 -66.2 -51.0 64.9 11.4 13.6 90 90 A E H X S+ 0 0 86 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.914 114.0 50.4 -57.5 -45.9 67.2 13.2 16.0 91 91 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.930 111.0 48.4 -61.5 -42.8 66.5 10.7 18.8 92 92 A C H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.816 106.9 56.2 -70.3 -27.1 67.3 7.8 16.5 93 93 A R H X S+ 0 0 75 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.973 109.8 46.3 -64.9 -50.5 70.5 9.4 15.3 94 94 A K H X S+ 0 0 29 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.906 111.4 50.5 -57.5 -47.1 71.7 9.7 18.9 95 95 A L H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.932 114.5 43.4 -60.8 -47.1 70.8 6.1 19.8 96 96 A V H < S+ 0 0 26 -4,-2.0 3,-0.5 2,-0.2 -1,-0.2 0.927 116.7 48.3 -60.6 -46.5 72.5 4.6 16.8 97 97 A A H < S+ 0 0 84 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.3 46.0 -62.1 -43.0 75.5 6.9 17.3 98 98 A M H < S+ 0 0 41 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.527 105.9 68.7 -84.2 -5.8 75.9 6.2 21.1 99 99 A T S < S- 0 0 10 -4,-0.9 167,-0.1 -3,-0.5 4,-0.0 -0.701 100.0 -69.0-111.1 161.6 75.6 2.4 20.9 100 100 A P > - 0 0 40 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.027 52.2-106.0 -43.1 149.2 77.8 -0.2 19.4 101 101 A Q T 3 S+ 0 0 189 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.817 112.6 58.2 -50.4 -53.4 78.2 -0.3 15.7 102 102 A P T 3 S+ 0 0 65 0, 0.0 2,-1.0 0, 0.0 188,-0.4 0.596 90.3 81.8 -57.0 -14.5 76.1 -3.3 14.8 103 103 A L < + 0 0 0 -3,-1.7 186,-0.2 1,-0.2 -4,-0.2 -0.807 48.9 131.0 -97.7 98.6 73.1 -1.8 16.4 104 104 A E + 0 0 49 184,-1.7 2,-0.5 -2,-1.0 185,-0.2 0.440 45.0 80.7-130.8 -2.6 71.8 0.6 13.7 105 105 A C E -Q 288 0F 0 183,-2.4 183,-1.9 -3,-0.2 2,-0.5 -0.945 60.3-159.5-114.5 122.8 68.0 -0.1 13.5 106 106 A V E -Qr 287 442F 0 335,-2.5 337,-2.1 -2,-0.5 2,-0.6 -0.882 14.9-171.5-108.1 124.0 65.7 1.5 16.0 107 107 A F E -Q 286 0F 1 179,-3.0 179,-2.1 -2,-0.5 2,-0.3 -0.949 19.9-154.3-105.2 106.7 62.1 0.4 17.0 108 108 A L E +Q 285 0F 1 -2,-0.6 177,-0.2 335,-0.4 2,-0.2 -0.638 22.0 169.5 -79.6 138.6 60.7 3.1 19.2 109 109 A A E -Q 284 0F 0 175,-1.8 175,-2.6 -2,-0.3 203,-0.1 -0.798 41.1-106.2-140.5-176.2 58.0 1.9 21.6 110 110 A D S S+ 0 0 8 173,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.884 86.2 5.8 -89.0 -39.6 56.1 3.2 24.7 111 111 A S S > S- 0 0 5 171,-0.1 4,-1.9 172,-0.1 3,-0.4 -0.932 72.4 -99.8-143.3 165.2 57.5 1.4 27.6 112 112 A G H > S+ 0 0 16 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.875 116.4 51.8 -46.0 -56.0 60.2 -1.1 28.8 113 113 A S H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 111.7 49.5 -55.8 -36.1 58.0 -4.2 28.9 114 114 A V H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.860 105.8 55.8 -72.7 -35.5 57.0 -3.5 25.3 115 115 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.866 110.4 46.2 -64.1 -35.8 60.6 -3.0 24.3 116 116 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.914 110.7 51.6 -71.9 -43.1 61.3 -6.4 25.6 117 117 A E H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.892 110.6 50.3 -58.6 -41.0 58.2 -7.8 23.9 118 118 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.941 109.2 50.2 -62.5 -46.8 59.5 -6.2 20.7 119 119 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 111.0 49.7 -59.7 -43.2 62.9 -7.7 21.1 120 120 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.865 109.7 50.3 -64.2 -37.9 61.4 -11.2 21.7 121 121 A K H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.801 107.1 55.2 -72.6 -30.1 59.2 -10.9 18.6 122 122 A M H X S+ 0 0 3 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.968 108.6 47.8 -63.2 -51.3 62.2 -9.9 16.5 123 123 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.931 113.5 47.2 -55.8 -48.9 64.1 -13.0 17.5 124 124 A L H X S+ 0 0 7 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.920 116.5 43.5 -60.5 -45.8 61.1 -15.3 16.8 125 125 A Q H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.822 109.1 58.9 -68.0 -33.8 60.5 -13.7 13.4 126 126 A Y H X S+ 0 0 19 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.969 112.1 38.7 -59.6 -50.7 64.2 -13.7 12.6 127 127 A W H <>S+ 0 0 11 -4,-2.3 5,-3.0 1,-0.2 -1,-0.2 0.757 112.5 59.7 -72.8 -23.5 64.3 -17.5 13.0 128 128 A Q H ><5S+ 0 0 40 -4,-1.5 3,-1.2 -5,-0.2 -1,-0.2 0.878 104.4 49.4 -67.2 -40.9 60.9 -17.7 11.3 129 129 A A H 3<5S+ 0 0 34 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.784 108.8 51.7 -72.1 -27.9 62.3 -16.0 8.2 130 130 A K T 3<5S- 0 0 91 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.283 114.6-118.9 -89.9 8.4 65.3 -18.4 8.2 131 131 A G T < 5 + 0 0 71 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.737 66.0 144.9 60.7 26.3 62.8 -21.3 8.4 132 132 A E < - 0 0 82 -5,-3.0 2,-1.7 -6,-0.1 -1,-0.2 -0.793 55.7-127.9-102.2 137.4 64.4 -22.4 11.7 133 133 A A + 0 0 92 -2,-0.4 2,-0.5 -3,-0.1 -5,-0.1 -0.594 54.2 143.3 -82.2 80.7 62.3 -23.9 14.5 134 134 A R + 0 0 9 -2,-1.7 71,-0.2 -10,-0.2 -7,-0.2 -0.946 4.1 133.8-129.2 111.4 63.4 -21.6 17.3 135 135 A Q + 0 0 67 69,-0.9 2,-0.3 -2,-0.5 70,-0.2 0.280 44.0 99.6-136.1 5.4 61.0 -20.5 20.1 136 136 A R E -s 205 0F 56 68,-2.0 70,-3.3 65,-0.1 71,-0.9 -0.770 54.4-151.6 -97.0 146.0 62.8 -21.0 23.3 137 137 A F E -s 207 0F 0 -2,-0.3 36,-2.9 68,-0.2 2,-0.5 -0.901 3.9-150.7-111.0 143.9 64.5 -18.2 25.2 138 138 A L E +st 208 173F 0 69,-2.3 71,-2.3 -2,-0.4 2,-0.2 -0.971 31.1 152.5-113.1 125.3 67.5 -18.9 27.5 139 139 A T E -st 209 174F 1 34,-2.7 36,-2.5 -2,-0.5 2,-0.3 -0.792 39.8 -92.7-139.8-178.1 67.9 -16.5 30.4 140 140 A F E > - t 0 175F 2 69,-0.5 3,-1.0 -2,-0.2 37,-0.2 -0.735 36.7-107.1-100.4 152.3 69.3 -16.2 33.9 141 141 A R T 3 S+ 0 0 107 34,-2.4 3,-0.1 -2,-0.3 -1,-0.1 -0.353 106.2 33.9 -66.5 155.7 67.6 -16.9 37.2 142 142 A N T 3 S+ 0 0 44 1,-0.2 76,-0.3 35,-0.1 -1,-0.2 0.606 90.3 141.0 67.7 16.1 66.9 -13.7 39.1 143 143 A G < - 0 0 3 -3,-1.0 13,-2.1 11,-0.1 2,-0.4 -0.545 36.1-161.6 -88.2 153.6 66.2 -11.8 35.9 144 144 A Y + 0 0 49 11,-0.2 72,-0.2 -2,-0.2 73,-0.1 -0.992 21.2 159.7-135.5 129.9 63.5 -9.1 35.4 145 145 A H - 0 0 4 1,-0.5 -29,-0.2 -2,-0.4 2,-0.2 0.297 59.8 -72.0-131.9 6.4 62.3 -8.0 31.9 146 146 A G - 0 0 3 5,-0.2 -1,-0.5 1,-0.1 8,-0.1 -0.641 42.9 -85.3 125.1 179.6 58.8 -6.5 32.6 147 147 A D S S+ 0 0 2 -2,-0.2 -1,-0.1 4,-0.1 2,-0.1 0.424 83.8 101.1-109.2 -6.2 55.3 -7.3 33.5 148 148 A T S > S- 0 0 0 -3,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.397 87.6-100.7 -76.9 161.8 53.6 -8.2 30.1 149 149 A F H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.913 120.6 45.9 -56.2 -49.8 53.2 -11.9 29.3 150 150 A G H >4 S+ 0 0 1 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.952 116.4 46.1 -55.9 -51.5 56.1 -12.2 27.0 151 151 A A H >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 -6,-0.3 0.883 109.2 55.3 -59.9 -38.7 58.4 -10.4 29.4 152 152 A M H >< S+ 0 0 5 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.824 96.1 67.1 -63.9 -28.4 57.1 -12.4 32.3 153 153 A S T << S+ 0 0 1 -4,-1.6 19,-0.5 -3,-0.6 -1,-0.2 0.613 107.3 38.9 -70.8 -12.5 58.1 -15.6 30.5 154 154 A V T < S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.233 97.4 101.9-118.0 9.6 61.8 -14.8 30.8 155 155 A C S < S- 0 0 0 -3,-1.3 -11,-0.2 -4,-0.2 -16,-0.0 -0.564 93.9 -74.0 -87.0 158.5 61.4 -13.3 34.4 156 156 A D > - 0 0 6 -13,-2.1 4,-2.8 -2,-0.2 5,-0.2 -0.314 39.2-136.3 -57.0 121.0 62.5 -15.4 37.4 157 157 A P T 4>S+ 0 0 24 0, 0.0 5,-3.3 0, 0.0 6,-0.4 0.779 102.7 37.1 -49.3 -33.1 59.9 -18.1 38.0 158 158 A D T >45S+ 0 0 121 3,-0.2 3,-2.1 2,-0.2 5,-0.1 0.946 115.5 47.9 -86.1 -58.8 60.0 -17.4 41.7 159 159 A N T 345S+ 0 0 81 1,-0.3 -1,-0.1 2,-0.1 -15,-0.0 0.848 122.4 39.7 -47.8 -37.7 60.5 -13.6 41.9 160 160 A S T 3<5S- 0 0 16 -4,-2.8 -1,-0.3 -8,-0.1 -2,-0.2 0.350 109.9-124.9 -98.1 3.7 57.6 -13.4 39.4 161 161 A M T X 5 - 0 0 67 -3,-2.1 3,-1.5 -5,-0.2 4,-0.5 0.952 32.0-176.6 53.9 63.4 55.5 -16.2 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-90.1-170.8 61.7 -21.1 28.7 173 173 A L E -t 138 0F 14 -36,-2.9 -34,-2.7 -2,-0.0 2,-0.6 -0.889 34.8-163.4-108.8 129.0 65.1 -22.1 29.9 174 174 A F E -t 139 0F 22 -2,-0.5 -34,-0.2 -36,-0.2 3,-0.1 -0.928 1.9-167.5-119.0 113.0 66.6 -20.8 33.1 175 175 A A E -t 140 0F 0 -36,-2.5 -34,-2.4 -2,-0.6 19,-0.0 -0.638 42.8 -79.4 -90.1 150.5 70.3 -21.1 33.9 176 176 A P - 0 0 55 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.099 55.2 -94.8 -45.9 144.1 71.6 -20.3 37.4 177 177 A A - 0 0 18 -37,-0.2 -35,-0.1 1,-0.1 2,-0.1 -0.364 56.0 -82.4 -61.2 139.8 72.0 -16.7 38.4 178 178 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.292 45.3-171.1 -45.8 116.1 75.5 -15.4 37.9 179 179 A Q + 0 0 126 8,-0.1 -2,-0.0 -3,-0.1 7,-0.0 0.953 59.9 83.9 -77.8 -57.7 77.5 -16.5 40.9 180 180 A S S S- 0 0 7 7,-0.2 44,-1.4 1,-0.1 2,-0.2 -0.216 78.0-133.0 -52.1 131.2 80.8 -14.5 40.4 181 181 A R B > -X 223 0G 83 4,-0.3 3,-1.9 42,-0.3 42,-0.3 -0.553 15.3-125.5 -90.5 152.6 80.5 -11.0 41.6 182 182 A M T 3 S+ 0 0 52 40,-1.3 41,-0.2 1,-0.3 -1,-0.1 0.667 118.8 56.9 -64.2 -15.5 81.5 -7.8 39.7 183 183 A D T 3 S+ 0 0 125 39,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.501 111.0 45.2 -91.4 -8.0 83.5 -7.4 43.0 184 184 A G S < S- 0 0 29 -3,-1.9 -4,-0.0 1,-0.1 2,-0.0 -0.657 84.7 -68.8-137.4-175.1 85.3 -10.7 42.7 185 185 A E - 0 0 163 -2,-0.2 2,-0.5 1,-0.1 -4,-0.3 -0.214 51.0-106.4 -71.5 161.9 87.3 -13.5 40.9 186 186 A W - 0 0 40 -6,-0.1 2,-0.6 -7,-0.0 -1,-0.1 -0.791 23.7-162.7 -99.1 128.8 85.8 -15.7 38.3 187 187 A D > - 0 0 47 -2,-0.5 3,-2.6 1,-0.1 4,-0.3 -0.938 10.2-154.9-110.1 113.3 85.0 -19.4 39.0 188 188 A E G > S+ 0 0 113 -2,-0.6 3,-1.3 1,-0.3 4,-0.4 0.671 92.2 73.8 -63.1 -15.3 84.6 -21.4 35.8 189 189 A R G > S+ 0 0 191 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.727 81.4 74.1 -65.5 -20.1 82.3 -23.8 37.8 190 190 A D G < S+ 0 0 15 -3,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.805 91.2 56.7 -60.1 -29.5 79.8 -20.9 37.5 191 191 A M G <> S+ 0 0 26 -3,-1.3 4,-2.7 -4,-0.3 5,-0.3 0.651 80.0 87.4 -79.9 -20.6 79.4 -21.9 33.8 192 192 A V H <> S+ 0 0 95 -3,-0.9 4,-3.2 -4,-0.4 5,-0.3 0.939 88.5 47.8 -46.8 -65.0 78.3 -25.5 34.2 193 193 A G H > S+ 0 0 25 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.887 115.8 44.8 -42.6 -54.2 74.5 -24.9 34.6 194 194 A F H >> S+ 0 0 4 -4,-0.4 4,-3.2 2,-0.2 3,-0.5 0.959 113.9 48.7 -57.0 -56.6 74.4 -22.5 31.6 195 195 A A H 3X S+ 0 0 48 -4,-2.7 4,-1.7 1,-0.3 5,-0.2 0.908 107.3 56.4 -51.5 -47.2 76.5 -24.8 29.4 196 196 A R H 3X S+ 0 0 181 -4,-3.2 4,-1.5 -5,-0.3 -1,-0.3 0.886 114.3 39.8 -54.3 -40.4 74.3 -27.8 30.3 197 197 A L H < S+ 0 0 56 -4,-1.7 3,-1.5 -5,-0.3 4,-0.4 0.951 109.6 46.6 -84.4 -69.5 73.9 -27.8 24.9 200 200 A A H 3< S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.1 0.613 130.0 28.0 -48.7 -13.7 70.8 -29.9 25.3 201 201 A H T >X S+ 0 0 42 -4,-1.2 3,-3.0 -5,-0.1 4,-1.5 0.322 75.8 115.8-135.3 6.6 68.8 -27.0 23.6 202 202 A R T <4 S+ 0 0 114 -3,-1.5 -2,-0.1 -4,-0.5 -3,-0.1 0.755 81.5 58.5 -48.5 -26.6 71.2 -25.2 21.2 203 203 A H T 34 S+ 0 0 98 -4,-0.4 -1,-0.3 1,-0.2 -70,-0.1 0.681 112.8 37.5 -75.8 -18.8 68.8 -26.5 18.5 204 204 A E T <4 S+ 0 0 50 -3,-3.0 -68,-2.0 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