==== 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 12-FEB-98 1A5B . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE (ALPHA CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.RHEE,E.W.MILES,D.R.DAVIES . 638 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 1 2 3 1 4 1 1 3 3 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 3 2 1 2 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 . 5 1 0 1 1 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 1 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 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 44 0, 0.0 3,-1.5 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 -78.2 38.7 21.8 29.9 2 2 A E H 3> + 0 0 121 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.779 360.0 56.1 -36.1 -59.0 35.6 23.6 31.3 3 3 A R H 3> S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.767 103.9 54.7 -54.1 -32.4 35.6 26.8 29.2 4 4 A Y H <> S+ 0 0 3 -3,-1.5 4,-3.0 2,-0.2 5,-0.3 0.927 106.7 50.0 -68.9 -44.9 35.6 25.0 25.9 5 5 A E H X S+ 0 0 115 -4,-1.1 4,-2.2 -3,-0.4 5,-0.2 0.959 112.4 48.5 -57.0 -51.4 32.5 23.0 26.8 6 6 A N H X S+ 0 0 76 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.899 114.1 45.9 -56.8 -45.5 30.7 26.2 27.8 7 7 A L H X S+ 0 0 22 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.950 113.8 45.5 -65.1 -53.2 31.8 28.0 24.6 8 8 A F H X S+ 0 0 26 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.826 112.1 53.7 -61.4 -31.1 30.9 25.3 22.1 9 9 A A H X S+ 0 0 50 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.956 112.0 43.8 -68.0 -48.2 27.5 24.7 23.9 10 10 A Q H X S+ 0 0 89 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.930 113.5 50.0 -61.7 -47.3 26.7 28.4 23.6 11 11 A L H <>S+ 0 0 7 -4,-2.9 5,-3.0 1,-0.2 -1,-0.2 0.879 108.5 55.7 -59.1 -37.1 27.8 28.6 20.0 12 12 A N H ><5S+ 0 0 118 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 0.933 104.1 51.1 -61.8 -46.8 25.7 25.5 19.3 13 13 A D H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 113.6 47.2 -62.4 -25.4 22.6 27.2 20.6 14 14 A R T 3<5S- 0 0 108 -4,-1.3 236,-0.4 -3,-0.2 -1,-0.3 0.346 107.5-126.3 -96.6 3.8 23.4 30.1 18.3 15 15 A R T < 5 + 0 0 167 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.847 67.3 142.9 51.1 34.8 24.0 27.8 15.3 16 16 A E < - 0 0 44 -5,-3.0 233,-0.2 -6,-0.2 2,-0.2 -0.784 48.1-134.1-110.5 146.8 27.3 29.8 15.3 17 17 A G - 0 0 1 231,-2.8 2,-0.3 -2,-0.3 195,-0.3 -0.633 24.8-110.8 -96.4 158.8 30.8 28.6 14.5 18 18 A A E -a 212 0A 1 193,-2.9 195,-2.6 -2,-0.2 2,-0.5 -0.687 21.3-161.6 -92.8 138.3 33.9 29.4 16.5 19 19 A F E -a 213 0A 0 -2,-0.3 27,-2.5 25,-0.2 28,-0.8 -0.981 10.3-175.4-119.8 117.7 36.7 31.7 15.2 20 20 A V E -a 214 0A 3 193,-2.8 195,-2.2 -2,-0.5 2,-0.3 -0.944 8.9-156.0-118.0 112.0 40.0 31.3 17.0 21 21 A P E -a 215 0A 0 0, 0.0 28,-2.0 0, 0.0 2,-0.4 -0.645 8.4-142.1 -88.4 146.1 42.9 33.6 16.2 22 22 A F E +e 49 0B 14 193,-2.8 2,-0.3 -2,-0.3 198,-0.2 -0.889 25.5 164.5-107.0 141.6 46.5 32.6 16.8 23 23 A V E -e 50 0B 0 26,-2.0 28,-2.1 -2,-0.4 2,-0.5 -0.976 37.1-113.9-150.9 153.2 49.2 35.1 18.0 24 24 A T E > -e 51 0B 1 -2,-0.3 3,-1.7 26,-0.2 28,-0.2 -0.820 38.7-113.8 -93.3 128.6 52.7 34.8 19.5 25 25 A L T 3 S+ 0 0 0 26,-3.3 5,-0.1 -2,-0.5 56,-0.1 -0.419 100.3 15.8 -60.9 129.6 52.9 36.1 23.1 26 26 A G T 3 S+ 0 0 0 3,-0.3 -1,-0.2 4,-0.2 4,-0.2 0.490 90.0 167.7 85.9 2.7 55.1 39.2 23.2 27 27 A D S < S- 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 9,-0.1 -0.859 75.3 -4.7 -99.1 125.5 55.0 39.9 19.5 28 28 A P S S- 0 0 34 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.987 144.1 -28.0 -84.9 -1.9 56.0 42.6 18.6 29 29 A G > - 0 0 5 1,-0.2 4,-2.6 46,-0.0 -3,-0.3 -0.960 59.9-104.1-166.5 158.2 56.4 43.5 22.3 30 30 A I H > S+ 0 0 43 -2,-0.3 4,-2.2 2,-0.2 -4,-0.2 0.966 120.7 40.0 -54.8 -58.2 54.9 42.6 25.6 31 31 A E H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 118.5 49.1 -57.7 -45.4 52.9 45.8 26.1 32 32 A Q H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 108.9 54.2 -64.1 -32.8 52.0 45.8 22.4 33 33 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.896 104.1 52.5 -71.1 -43.2 51.0 42.1 22.6 34 34 A L H X S+ 0 0 24 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.882 111.0 49.2 -59.9 -39.3 48.5 42.6 25.5 35 35 A K H X S+ 0 0 77 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.955 109.8 50.5 -64.0 -49.9 46.8 45.4 23.4 36 36 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.0 49.7 -53.4 -47.5 46.6 43.1 20.3 37 37 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.899 109.8 49.0 -61.2 -44.1 45.0 40.3 22.4 38 38 A D H X S+ 0 0 43 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.883 111.5 51.1 -63.8 -37.6 42.4 42.6 23.9 39 39 A T H < S+ 0 0 13 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.893 110.2 48.5 -66.1 -40.4 41.6 43.9 20.4 40 40 A L H >X>S+ 0 0 0 -4,-2.3 5,-2.2 -5,-0.2 4,-0.9 0.947 114.2 47.4 -63.3 -49.4 41.2 40.4 19.1 41 41 A I H ><5S+ 0 0 22 -4,-2.6 3,-1.0 1,-0.3 -2,-0.2 0.946 115.6 42.1 -56.8 -54.4 39.0 39.4 22.0 42 42 A D T 3<5S+ 0 0 106 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.437 107.7 63.0 -79.3 4.7 36.7 42.5 21.8 43 43 A A T <45S- 0 0 15 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.630 131.8 -78.7 -97.2 -21.9 36.6 42.2 18.0 44 44 A G T <<5S+ 0 0 22 -3,-1.0 -25,-0.2 -4,-0.9 -3,-0.2 0.420 72.2 154.7 139.7 -0.0 34.9 38.9 18.2 45 45 A A < - 0 0 9 -5,-2.2 -1,-0.2 -6,-0.2 -25,-0.2 -0.373 25.9-162.4 -59.8 130.2 37.4 36.1 18.9 46 46 A D S S- 0 0 25 -27,-2.5 2,-0.3 1,-0.2 -26,-0.2 0.746 72.6 -4.7 -84.9 -29.7 35.7 33.1 20.5 47 47 A A S S- 0 0 1 -28,-0.8 2,-0.3 48,-0.2 50,-0.2 -0.891 71.9-128.2-151.7 176.2 38.9 31.6 21.9 48 48 A L E - f 0 97B 0 48,-1.6 50,-2.4 -2,-0.3 2,-0.5 -0.971 5.1-158.0-137.5 144.8 42.6 32.3 21.6 49 49 A E E -ef 22 98B 6 -28,-2.0 -26,-2.0 -2,-0.3 2,-0.4 -0.985 22.5-174.2-124.8 113.2 45.6 30.2 20.6 50 50 A L E -ef 23 99B 0 48,-3.1 50,-2.7 -2,-0.5 2,-0.3 -0.930 9.9-155.5-114.7 135.3 48.8 31.7 22.0 51 51 A G E -ef 24 100B 4 -28,-2.1 -26,-3.3 -2,-0.4 50,-0.2 -0.810 10.1-140.0-109.7 146.8 52.4 30.6 21.5 52 52 A V - 0 0 8 48,-1.1 2,-0.1 -2,-0.3 50,-0.1 -0.898 39.2 -98.2-102.8 132.5 55.4 31.2 23.7 53 53 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 28,-0.1 -0.295 44.8-171.4 -52.6 116.4 58.6 32.1 21.9 54 54 A F - 0 0 1 -2,-0.1 488,-0.1 1,-0.1 18,-0.1 -0.917 28.4-128.5-112.0 143.1 60.7 29.0 21.5 55 55 A S S S+ 0 0 27 -2,-0.4 -1,-0.1 1,-0.2 487,-0.1 0.789 101.6 34.5 -60.1 -30.9 64.3 29.0 20.2 56 56 A D - 0 0 1 364,-0.0 2,-1.5 -3,-0.0 -1,-0.2 -0.623 69.9-166.8-132.0 79.6 63.7 26.4 17.6 57 57 A P > + 0 0 5 0, 0.0 3,-0.9 0, 0.0 8,-0.1 -0.427 12.8 175.8 -65.3 86.8 60.2 26.4 16.0 58 58 A L T 3 S+ 0 0 14 -2,-1.5 2,-1.5 1,-0.3 366,-0.2 0.983 75.5 42.3 -56.6 -66.8 60.2 23.0 14.3 59 59 A A T 3 S+ 0 0 46 364,-0.1 2,-0.4 365,-0.0 -1,-0.3 -0.141 99.6 104.1 -78.2 44.3 56.6 23.0 13.0 60 60 A N < - 0 0 24 -2,-1.5 364,-0.1 -3,-0.9 0, 0.0 -0.981 50.4-161.2-133.8 138.4 56.7 26.6 11.8 61 61 A G > - 0 0 9 -2,-0.4 4,-2.1 363,-0.1 5,-0.2 -0.156 49.0 -64.8 -94.6-162.3 57.1 28.3 8.5 62 62 A P H > S+ 0 0 66 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.928 123.5 45.8 -50.1 -70.8 58.2 31.9 7.6 63 63 A T H > S+ 0 0 36 1,-0.2 4,-1.4 2,-0.2 -3,-0.0 0.877 118.4 41.7 -46.2 -52.2 55.5 34.2 9.1 64 64 A I H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 112.8 53.1 -66.8 -43.6 55.3 32.5 12.5 65 65 A Q H X S+ 0 0 22 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.878 107.3 52.8 -60.4 -36.2 59.1 32.1 12.8 66 66 A N H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.871 103.4 58.1 -66.9 -34.8 59.5 35.8 12.2 67 67 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.920 105.6 49.1 -60.3 -44.0 57.0 36.5 15.0 68 68 A N H X S+ 0 0 9 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.882 107.5 55.4 -61.9 -41.6 59.2 34.6 17.4 69 69 A L H X S+ 0 0 52 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.934 109.0 47.6 -57.1 -46.3 62.2 36.5 16.3 70 70 A R H X S+ 0 0 35 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.905 112.5 48.4 -62.8 -40.5 60.3 39.7 17.1 71 71 A A H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.3 0.922 113.7 47.1 -65.8 -43.4 59.3 38.4 20.5 72 72 A F H ><5S+ 0 0 70 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.848 106.0 57.5 -65.7 -37.7 62.9 37.3 21.2 73 73 A A H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 106.5 51.6 -61.9 -28.5 64.3 40.7 20.1 74 74 A A T 3<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.393 120.8-115.4 -87.2 0.4 62.0 42.1 22.7 75 75 A G T < 5 + 0 0 41 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.738 49.7 175.5 71.7 26.3 63.5 39.7 25.3 76 76 A V < - 0 0 3 -5,-2.3 -1,-0.2 -50,-0.1 -2,-0.0 -0.452 6.7-171.1 -68.0 127.8 60.3 37.8 25.8 77 77 A T > - 0 0 42 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.773 38.4-110.7-116.4 162.3 60.8 34.8 28.1 78 78 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.880 121.2 57.6 -58.7 -34.9 58.4 31.9 29.0 79 79 A A H > S+ 0 0 59 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.909 106.7 46.4 -60.2 -44.6 58.3 33.5 32.5 80 80 A Q H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.815 108.5 57.5 -69.2 -29.7 57.0 36.7 31.0 81 81 A C H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.941 104.8 49.3 -66.7 -45.6 54.5 34.8 28.9 82 82 A F H X S+ 0 0 15 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.771 109.2 53.5 -65.1 -24.9 52.9 33.2 32.0 83 83 A E H X S+ 0 0 116 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.867 109.8 47.9 -74.6 -38.5 52.6 36.6 33.6 84 84 A M H X S+ 0 0 4 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.925 108.9 54.3 -65.4 -45.5 50.8 37.9 30.5 85 85 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.813 106.4 51.6 -57.3 -37.1 48.5 34.9 30.5 86 86 A A H X S+ 0 0 27 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.933 111.1 47.5 -67.4 -44.4 47.5 35.6 34.1 87 87 A L H X S+ 0 0 85 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.878 111.7 49.6 -63.2 -43.1 46.7 39.2 33.2 88 88 A I H >X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.6 0.934 113.0 47.1 -62.9 -44.9 44.7 38.2 30.2 89 89 A R H 3< S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.862 107.3 57.9 -64.3 -35.2 42.7 35.7 32.3 90 90 A E H 3< S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.775 112.7 40.3 -65.6 -27.3 42.2 38.3 35.0 91 91 A K H << S+ 0 0 93 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.766 122.4 38.2 -91.0 -29.7 40.5 40.6 32.4 92 92 A H < - 0 0 28 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.837 62.8-179.4-130.2 97.0 38.5 37.9 30.5 93 93 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.726 77.5 33.2 -65.7 -31.3 37.0 35.2 32.8 94 94 A T S S+ 0 0 112 2,-0.1 -87,-0.1 -88,-0.0 -88,-0.1 0.763 82.0 105.9-104.2 -27.5 35.3 33.0 30.2 95 95 A I S S- 0 0 15 1,-0.1 -48,-0.2 -6,-0.1 2,-0.1 -0.342 73.6-118.8 -59.7 124.6 37.2 33.0 26.9 96 96 A P - 0 0 2 0, 0.0 -48,-1.6 0, 0.0 2,-0.5 -0.438 27.0-155.4 -65.5 137.4 39.1 29.7 26.4 97 97 A I E -f 48 0B 1 25,-0.2 27,-2.9 -50,-0.2 28,-1.6 -0.972 10.6-173.2-121.3 119.8 42.8 30.1 26.2 98 98 A G E -fg 49 125B 1 -50,-2.4 -48,-3.1 -2,-0.5 2,-0.4 -0.864 11.6-144.6-111.9 149.5 45.0 27.6 24.5 99 99 A L E -fg 50 126B 1 26,-1.9 28,-3.1 -2,-0.3 2,-0.7 -0.919 4.5-148.9-114.2 138.0 48.8 27.4 24.3 100 100 A L E +fg 51 127B 23 -50,-2.7 -48,-1.1 -2,-0.4 2,-0.3 -0.934 35.8 174.9-103.7 112.0 50.9 26.3 21.4 101 101 A M E - g 0 128B 0 26,-3.3 28,-2.2 -2,-0.7 2,-0.4 -0.789 32.3-135.0-119.6 162.7 54.0 24.8 23.0 102 102 A Y >> - 0 0 6 -2,-0.3 3,-1.1 26,-0.2 4,-0.8 -0.926 35.3-112.9-115.9 137.3 57.1 22.9 22.0 103 103 A A H >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 3,-0.7 0.774 108.8 59.7 -39.1 -41.8 58.0 19.9 24.1 104 104 A N H 3> S+ 0 0 0 423,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.878 102.0 49.9 -63.6 -40.2 61.2 21.3 25.6 105 105 A L H <4 S+ 0 0 13 -3,-1.1 4,-0.3 2,-0.2 -1,-0.2 0.687 116.8 44.5 -71.5 -16.3 59.6 24.3 27.3 106 106 A V H << S+ 0 0 1 -4,-0.8 8,-0.4 -3,-0.7 -2,-0.2 0.853 120.1 39.3 -89.6 -43.4 57.0 22.0 28.8 107 107 A F H >< S+ 0 0 48 -4,-2.8 3,-2.1 -5,-0.2 4,-0.2 0.771 93.2 91.4 -77.3 -31.1 59.5 19.3 29.8 108 108 A N T 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.817 104.2 13.7 -33.1 -70.2 62.3 21.7 31.0 109 109 A N T 3 S- 0 0 122 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 -0.061 138.2 -51.1-106.5 36.8 61.4 22.0 34.6 110 110 A G <> - 0 0 32 -3,-2.1 4,-1.5 3,-0.1 -1,-0.3 0.387 44.1-123.9 100.9 122.9 59.0 19.1 34.8 111 111 A I H >> S+ 0 0 25 -4,-0.2 4,-2.1 2,-0.2 3,-0.7 0.963 113.0 46.7 -58.5 -55.3 56.0 18.3 32.6 112 112 A D H 3> S+ 0 0 63 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.877 109.9 54.3 -56.2 -41.1 53.6 18.1 35.5 113 113 A A H 3> S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.825 106.0 53.9 -64.6 -30.7 55.0 21.4 36.9 114 114 A F H S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-1.3 0.965 110.8 45.6 -64.1 -51.2 49.0 26.5 33.3 119 119 A E H <5S+ 0 0 83 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.900 110.3 56.1 -57.8 -43.0 46.1 25.7 35.6 120 120 A Q H <5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.2 41.9 -58.7 -40.6 47.4 28.3 38.1 121 121 A V H <5S- 0 0 9 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.644 120.5-105.5 -84.2 -14.0 47.3 31.1 35.4 122 122 A G T <5 + 0 0 11 -4,-1.3 -25,-0.2 -3,-0.4 2,-0.2 0.771 60.6 159.1 96.9 28.1 43.9 30.0 33.9 123 123 A V < - 0 0 6 -5,-2.5 -1,-0.2 -6,-0.1 -25,-0.2 -0.588 24.6-162.2 -80.8 148.1 45.0 28.3 30.7 124 124 A D + 0 0 5 -27,-2.9 25,-3.0 1,-0.3 2,-0.3 0.749 61.9 9.3-103.5 -31.6 42.5 25.9 29.3 125 125 A S E -gh 98 149B 0 -28,-1.6 -26,-1.9 23,-0.3 2,-0.4 -0.978 52.6-153.0-149.2 160.9 44.4 23.8 26.8 126 126 A V E -gh 99 150B 2 23,-2.4 25,-1.8 -2,-0.3 2,-0.6 -0.986 2.2-168.0-140.0 125.1 47.9 23.0 25.6 127 127 A L E -g 100 0B 7 -28,-3.1 -26,-3.3 -2,-0.4 2,-1.0 -0.974 11.0-157.3-111.1 114.8 48.9 21.7 22.1 128 128 A V E > -g 101 0B 10 -2,-0.6 3,-1.8 23,-0.5 -26,-0.2 -0.840 7.9-156.4 -94.7 98.5 52.5 20.6 22.1 129 129 A A T 3 S+ 0 0 9 -28,-2.2 139,-0.3 -2,-1.0 -27,-0.2 0.770 85.3 45.9 -46.1 -38.4 53.3 20.9 18.4 130 130 A D T 3 S+ 0 0 0 -29,-0.4 -1,-0.3 137,-0.1 -28,-0.1 0.043 90.7 90.5-101.5 28.7 56.2 18.3 18.4 131 131 A V < - 0 0 11 -3,-1.8 137,-0.2 134,-0.1 -3,-0.2 -0.950 61.1-158.7-124.7 106.1 54.6 15.5 20.4 132 132 A P >> - 0 0 0 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.428 39.0 -97.9 -77.2 164.1 52.7 13.0 18.3 133 133 A V G >4 S+ 0 0 2 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.807 123.4 66.3 -52.7 -26.8 50.0 10.8 19.9 134 134 A E G 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.704 111.9 30.5 -68.4 -20.8 52.7 8.1 20.2 135 135 A E G <4 S+ 0 0 19 -3,-2.7 4,-0.3 129,-0.1 -1,-0.2 0.289 94.5 96.7-118.7 5.4 54.7 10.2 22.7 136 136 A S XX + 0 0 1 -4,-0.7 4,-3.0 -3,-0.6 3,-0.7 0.641 49.3 100.0 -74.4 -18.6 51.8 12.1 24.4 137 137 A A H 3> S+ 0 0 32 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.842 87.1 37.9 -36.9 -66.5 51.2 9.9 27.5 138 138 A P H 3> S+ 0 0 61 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.832 119.8 50.5 -61.8 -25.8 53.1 11.9 30.2 139 139 A F H <> S+ 0 0 6 -3,-0.7 4,-2.1 -4,-0.3 -2,-0.2 0.932 114.4 40.7 -75.6 -46.6 51.9 15.2 28.6 140 140 A R H X S+ 0 0 49 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.890 114.0 52.6 -70.8 -38.7 48.2 14.2 28.4 141 141 A Q H X S+ 0 0 92 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.881 113.2 45.5 -64.6 -35.9 48.1 12.5 31.8 142 142 A A H X S+ 0 0 0 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.879 111.4 51.5 -73.6 -41.2 49.6 15.7 33.3 143 143 A A H ><>S+ 0 0 0 -4,-2.1 5,-3.3 2,-0.2 3,-0.6 0.951 111.9 47.8 -60.3 -47.9 47.3 18.0 31.5 144 144 A L H ><5S+ 0 0 65 -4,-2.8 3,-2.6 1,-0.2 -2,-0.2 0.950 106.5 55.6 -59.5 -51.2 44.3 16.0 32.7 145 145 A R H 3<5S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.778 114.1 43.2 -53.8 -26.8 45.5 15.9 36.4 146 146 A H T <<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.202 117.4-109.5-107.3 18.1 45.6 19.7 36.1 147 147 A N T < 5S+ 0 0 100 -3,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.819 73.0 139.6 60.2 33.9 42.3 20.2 34.3 148 148 A I < - 0 0 1 -5,-3.3 -23,-0.3 -6,-0.2 -1,-0.2 -0.860 54.9-123.2-106.6 142.6 44.1 21.3 31.2 149 149 A A E -h 125 0B 0 -25,-3.0 -23,-2.4 -2,-0.4 2,-0.8 -0.772 17.6-141.8 -90.0 120.2 42.8 20.1 27.8 150 150 A P E -h 126 0B 6 0, 0.0 21,-1.2 0, 0.0 2,-0.4 -0.783 20.1-153.8 -84.3 110.6 45.4 18.2 25.7 151 151 A I - 0 0 4 -25,-1.8 -23,-0.5 -2,-0.8 2,-0.4 -0.725 9.2-165.3 -89.3 133.3 44.9 19.2 22.1 152 152 A F - 0 0 16 21,-0.5 23,-1.9 -2,-0.4 2,-0.4 -0.909 17.1-127.7-120.6 144.1 46.0 16.9 19.3 153 153 A I B -b 175 0A 53 -2,-0.4 23,-0.2 21,-0.2 -20,-0.2 -0.729 12.8-153.9 -89.6 134.9 46.4 17.7 15.6 154 154 A C - 0 0 0 21,-3.3 20,-0.0 -2,-0.4 9,-0.0 -0.942 20.3-151.8-109.8 104.8 44.6 15.5 13.1 155 155 A P > - 0 0 2 0, 0.0 3,-1.5 0, 0.0 21,-0.0 -0.303 24.0-114.5 -75.2 164.0 46.6 15.6 9.9 156 156 A P T 3 S+ 0 0 112 0, 0.0 20,-0.0 0, 0.0 -2,-0.0 0.803 118.9 55.4 -66.3 -29.4 45.2 15.1 6.3 157 157 A N T 3 S+ 0 0 45 2,-0.0 2,-0.0 112,-0.0 -3,-0.0 0.193 84.5 132.5 -87.8 14.9 47.3 11.9 6.0 158 158 A A < - 0 0 18 -3,-1.5 2,-0.2 1,-0.1 -4,-0.1 -0.333 40.0-158.7 -68.3 147.9 45.6 10.6 9.2 159 159 A D > - 0 0 93 -2,-0.0 4,-2.6 1,-0.0 5,-0.2 -0.591 35.4 -83.5-117.4-175.7 44.3 7.1 9.2 160 160 A D H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 123.4 50.6 -55.6 -55.5 41.7 5.2 11.3 161 161 A D H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 113.6 47.3 -53.0 -40.1 43.9 4.3 14.3 162 162 A L H > S+ 0 0 10 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.943 109.7 52.9 -67.9 -45.3 45.0 7.9 14.6 163 163 A L H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.916 111.0 47.4 -54.4 -45.4 41.4 9.1 14.3 164 164 A R H X S+ 0 0 121 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.889 114.3 46.9 -64.9 -39.0 40.4 6.8 17.1 165 165 A Q H X S+ 0 0 48 -4,-2.0 4,-2.8 -5,-0.2 5,-0.4 0.936 111.5 48.2 -68.3 -50.7 43.4 7.9 19.3 166 166 A V H X S+ 0 0 1 -4,-3.3 4,-2.1 1,-0.2 22,-0.3 0.878 111.8 54.3 -58.3 -35.3 43.0 11.7 18.7 167 167 A A H < S+ 0 0 8 -4,-1.9 -2,-0.2 -5,-0.4 -1,-0.2 0.948 115.4 35.4 -65.6 -48.7 39.3 11.1 19.6 168 168 A S H < S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.769 124.5 41.6 -78.6 -25.0 40.0 9.4 22.9 169 169 A Y H < S+ 0 0 59 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.842 97.7 82.1 -89.5 -40.4 43.0 11.4 23.9 170 170 A G < - 0 0 4 -4,-2.1 2,-0.3 -5,-0.4 -19,-0.2 -0.330 51.5-179.0 -72.0 153.3 42.0 14.9 22.9 171 171 A R + 0 0 91 -21,-1.2 2,-2.0 2,-0.3 -19,-0.1 -0.931 60.7 22.6-143.0 160.8 39.9 17.3 24.9 172 172 A G S S- 0 0 16 -2,-0.3 2,-0.3 -21,-0.1 -21,-0.1 -0.504 124.4 -15.4 81.7 -74.7 38.6 20.8 24.3 173 173 A Y - 0 0 2 -2,-2.0 2,-0.6 15,-0.2 -21,-0.5 -0.977 61.3-116.6-157.9 160.9 38.9 20.7 20.5 174 174 A T E - c 0 190A 1 15,-2.0 17,-3.1 -2,-0.3 2,-0.8 -0.937 26.8-136.3-105.9 119.3 40.5 18.7 17.7 175 175 A Y E bc 153 191A 47 -23,-1.9 -21,-3.3 -2,-0.6 17,-0.2 -0.697 360.0 360.0 -77.5 109.6 43.0 20.7 15.7 176 176 A L 0 0 33 15,-2.8 16,-0.3 -2,-0.8 -1,-0.2 0.849 360.0 360.0-100.3 360.0 42.2 19.7 12.1 177 ! 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 0.0 178 196 A L > 0 0 81 0, 0.0 4,-3.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -54.4 37.6 13.1 8.8 179 197 A I H > + 0 0 17 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.808 360.0 45.4 -48.7 -42.5 34.9 15.3 10.3 180 198 A E H > S+ 0 0 130 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 114.5 48.2 -71.9 -38.2 32.2 12.6 10.2 181 199 A K H > S+ 0 0 78 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.920 109.0 54.2 -67.1 -43.2 34.6 9.9 11.6 182 200 A L H <>S+ 0 0 5 -4,-3.1 5,-3.1 1,-0.2 -2,-0.2 0.916 110.5 45.4 -56.9 -45.7 35.7 12.3 14.4 183 201 A K H ><5S+ 0 0 111 -4,-1.8 3,-0.9 3,-0.2 -1,-0.2 0.840 109.2 57.9 -67.7 -30.6 32.1 12.8 15.5 184 202 A E H 3<5S+ 0 0 107 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.939 109.4 42.9 -63.8 -45.7 31.6 9.0 15.2 185 203 A Y T 3<5S- 0 0 37 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.397 117.6-117.2 -81.1 4.0 34.4 8.4 17.7 186 204 A H T < 5 + 0 0 160 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.837 50.8 176.0 62.5 38.3 33.0 11.3 19.8 187 205 A A < - 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