==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-APR-06 2CLI . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.NGO,R.HARRIS,N.KIMMICH,P.CASINO,D.NIKS,L.BLUMENSTEIN, . 652 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 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 . 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 . 41 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 1 0 3 1 4 2 1 4 1 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 4 2 2 1 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 . 4 2 1 0 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 2 2 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 36 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -53.1 38.3 22.0 29.3 2 2 A E H 3> + 0 0 142 1,-0.3 4,-2.7 145,-0.2 5,-0.2 0.875 360.0 54.8 -48.8 -44.8 35.2 23.4 31.0 3 3 A R H 3> S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.868 109.0 47.8 -60.9 -36.5 35.6 26.7 29.1 4 4 A Y H <> S+ 0 0 2 -3,-0.8 4,-3.0 2,-0.2 5,-0.3 0.922 110.6 51.5 -70.0 -43.2 35.6 24.9 25.8 5 5 A E H X S+ 0 0 127 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.954 113.0 44.7 -57.1 -51.2 32.6 22.8 26.7 6 6 A N H X S+ 0 0 79 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.929 114.1 50.6 -59.3 -46.2 30.6 25.9 27.7 7 7 A L H X S+ 0 0 15 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.953 112.1 44.4 -57.2 -55.0 31.7 27.8 24.6 8 8 A F H X S+ 0 0 23 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.822 113.0 52.9 -61.9 -31.0 30.8 25.0 22.1 9 9 A A H X S+ 0 0 52 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.921 112.2 44.7 -69.3 -43.3 27.5 24.5 23.9 10 10 A Q H X S+ 0 0 102 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.878 113.9 49.1 -68.0 -39.7 26.6 28.2 23.6 11 11 A L H ><>S+ 0 0 2 -4,-2.7 5,-2.5 1,-0.2 3,-0.6 0.881 108.8 53.7 -67.3 -38.4 27.8 28.4 20.0 12 12 A N H ><5S+ 0 0 121 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.876 103.2 56.2 -64.3 -37.7 25.7 25.3 19.1 13 13 A D H 3<5S+ 0 0 133 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.738 112.1 43.6 -66.5 -21.1 22.6 26.9 20.6 14 14 A R T <<5S- 0 0 118 -4,-0.7 245,-0.5 -3,-0.6 -1,-0.3 0.295 110.9-124.7-103.7 6.6 23.2 29.8 18.3 15 15 A R T < 5 + 0 0 69 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.870 68.3 126.9 52.4 41.3 24.0 27.5 15.3 16 16 A E < - 0 0 22 -5,-2.5 242,-0.2 242,-0.1 -1,-0.2 -0.899 55.4-124.4-129.3 158.7 27.3 29.3 14.8 17 17 A G - 0 0 1 240,-2.8 2,-0.3 -2,-0.3 204,-0.3 -0.455 28.7-109.2 -93.1 169.6 30.9 28.3 14.5 18 18 A A E -a 221 0A 0 202,-2.1 204,-2.5 -2,-0.1 2,-0.6 -0.762 17.9-151.8-100.2 145.0 33.9 29.5 16.5 19 19 A F E -a 222 0A 0 -2,-0.3 27,-2.2 25,-0.3 28,-0.8 -0.969 15.6-175.0-117.1 116.7 36.6 31.8 15.2 20 20 A V E -a 223 0A 2 202,-3.1 204,-2.1 -2,-0.6 28,-0.2 -0.911 6.1-160.8-117.1 108.1 39.9 31.3 17.0 21 21 A P E -a 224 0A 0 0, 0.0 28,-1.9 0, 0.0 2,-0.4 -0.514 7.8-143.5 -85.3 155.1 42.8 33.6 16.1 22 22 A F E +e 49 0B 15 202,-2.6 2,-0.3 26,-0.2 207,-0.2 -0.945 23.9 163.1-118.7 141.5 46.5 32.8 16.9 23 23 A V E -e 50 0B 2 26,-1.6 28,-2.2 -2,-0.4 2,-0.5 -0.975 38.9-110.0-149.9 156.0 49.2 35.2 17.9 24 24 A T E > -e 51 0B 1 -2,-0.3 3,-1.8 26,-0.2 2,-0.2 -0.787 39.8-114.2 -90.3 127.8 52.6 34.9 19.5 25 25 A L T 3 S+ 0 0 0 26,-2.8 5,-0.1 -2,-0.5 56,-0.1 -0.424 100.1 17.8 -62.5 128.6 52.8 36.2 23.1 26 26 A G T 3 S+ 0 0 0 3,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.491 88.9 166.3 89.7 2.7 55.0 39.3 23.3 27 27 A D S < S- 0 0 1 -3,-1.8 -1,-0.3 1,-0.3 -3,-0.1 -0.881 76.6 -6.1-101.8 123.8 54.9 40.1 19.6 28 28 A P S S- 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.996 142.3 -28.6 -85.0 -6.3 55.9 42.8 18.9 29 29 A G > - 0 0 17 1,-0.1 4,-2.5 46,-0.0 -3,-0.3 -0.972 60.1-100.5-160.8 164.8 56.2 43.7 22.6 30 30 A I H > S+ 0 0 55 -2,-0.3 4,-2.2 2,-0.2 -4,-0.2 0.968 119.9 40.8 -56.4 -58.3 54.6 42.8 25.9 31 31 A E H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.925 118.2 45.6 -57.5 -50.2 52.4 45.9 26.1 32 32 A Q H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 110.8 54.9 -64.5 -34.5 51.4 45.9 22.4 33 33 A S H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.911 106.5 50.5 -65.0 -42.1 50.7 42.2 22.5 34 34 A L H X S+ 0 0 28 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.891 112.2 47.6 -62.7 -38.5 48.3 42.6 25.4 35 35 A K H X S+ 0 0 92 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.896 110.2 52.6 -68.8 -40.1 46.5 45.3 23.4 36 36 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.940 110.3 48.1 -59.4 -48.8 46.4 43.1 20.3 37 37 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.897 110.5 50.1 -61.8 -41.7 44.8 40.3 22.3 38 38 A D H X S+ 0 0 45 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 111.4 50.9 -65.3 -33.2 42.2 42.6 23.9 39 39 A T H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 107.0 52.4 -68.7 -44.6 41.4 43.8 20.4 40 40 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.911 113.4 45.1 -57.4 -43.4 41.0 40.3 19.0 41 41 A I H ><5S+ 0 0 32 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.928 112.6 48.7 -67.6 -45.8 38.6 39.5 21.8 42 42 A D H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.6 57.8 -65.3 -24.5 36.6 42.8 21.5 43 43 A A H 3<5S- 0 0 12 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.648 132.5 -82.4 -80.1 -17.5 36.4 42.1 17.8 44 44 A G T <<5 + 0 0 17 -3,-1.1 -25,-0.3 -4,-0.6 -3,-0.2 0.466 67.3 159.0 131.2 2.3 34.7 38.7 18.2 45 45 A A < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 -25,-0.2 -0.363 23.4-163.4 -58.3 129.2 37.3 36.0 18.9 46 46 A D S S- 0 0 21 -27,-2.2 2,-0.3 1,-0.2 -26,-0.2 0.757 72.3 -4.7 -84.8 -27.7 35.5 33.1 20.6 47 47 A A S S- 0 0 1 -28,-0.8 2,-0.4 48,-0.2 -1,-0.2 -0.942 71.7-122.1-155.5 170.1 38.8 31.6 21.9 48 48 A L E - f 0 97B 0 48,-2.4 50,-2.7 -2,-0.3 2,-0.5 -0.942 6.8-161.9-127.4 146.7 42.5 32.2 21.7 49 49 A E E -ef 22 98B 6 -28,-1.9 -26,-1.6 -2,-0.4 2,-0.5 -0.996 23.6-172.6-122.7 117.8 45.5 30.2 20.6 50 50 A L E -ef 23 99B 0 48,-3.3 50,-2.2 -2,-0.5 2,-0.3 -0.959 11.7-148.5-123.6 127.1 48.7 31.7 22.0 51 51 A G E -ef 24 100B 3 -28,-2.2 -26,-2.8 -2,-0.5 50,-0.2 -0.668 9.1-139.7 -94.5 143.6 52.3 30.8 21.2 52 52 A V - 0 0 5 48,-1.4 50,-0.1 -2,-0.3 53,-0.1 -0.886 39.7-101.1 -98.6 123.0 55.2 31.0 23.7 53 53 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 28,-0.1 -0.161 48.1-176.2 -46.3 123.9 58.3 32.3 21.9 54 54 A F - 0 0 2 1,-0.1 18,-0.1 23,-0.1 498,-0.1 -0.966 33.4-129.4-128.6 144.9 60.6 29.4 21.1 55 55 A S S S+ 0 0 23 -2,-0.4 367,-0.2 1,-0.2 -1,-0.1 0.741 102.3 28.7 -63.0 -25.5 64.1 29.3 19.6 56 56 A D + 0 0 0 365,-0.1 2,-2.2 374,-0.0 -1,-0.2 -0.503 61.5 176.8-141.7 73.2 63.2 26.7 17.0 57 57 A P > + 0 0 8 0, 0.0 3,-2.0 0, 0.0 11,-0.1 -0.464 9.4 172.3 -76.6 75.8 59.5 26.6 15.9 58 58 A L T 3 S+ 0 0 7 -2,-2.2 7,-0.0 1,-0.3 44,-0.0 0.352 73.4 57.2 -68.4 6.5 60.0 23.8 13.3 59 59 A A T 3 S+ 0 0 15 2,-0.1 124,-1.4 123,-0.1 2,-0.3 0.372 94.5 83.9-114.9 -0.4 56.2 23.6 12.7 60 60 A D < - 0 0 9 -3,-2.0 124,-0.1 122,-0.2 374,-0.1 -0.807 69.2-132.3-110.3 147.5 55.8 27.2 11.7 61 61 A G > - 0 0 0 -2,-0.3 4,-2.4 122,-0.1 5,-0.2 -0.130 46.1 -78.1 -81.5-176.8 56.2 29.1 8.5 62 62 A P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.887 126.2 56.4 -49.4 -50.2 58.1 32.3 7.8 63 63 A T H > S+ 0 0 31 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.937 114.9 36.4 -50.4 -56.1 55.3 34.6 9.2 64 64 A I H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.835 111.4 62.5 -68.3 -33.0 55.2 32.9 12.6 65 65 A Q H X S+ 0 0 28 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.908 107.3 43.6 -58.2 -42.5 59.0 32.4 12.5 66 66 A N H X S+ 0 0 66 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.776 105.8 62.7 -74.1 -26.6 59.4 36.2 12.5 67 67 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.938 107.3 43.5 -62.9 -45.1 56.7 36.6 15.2 68 68 A N H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.866 112.0 55.2 -66.9 -35.3 58.9 34.6 17.6 69 69 A L H X S+ 0 0 91 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.931 109.1 45.8 -63.1 -46.7 61.9 36.6 16.4 70 70 A R H X S+ 0 0 37 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.892 111.8 52.9 -63.1 -39.9 60.3 39.9 17.2 71 71 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-0.7 0.923 110.8 46.2 -61.8 -44.6 59.2 38.5 20.5 72 72 A F H ><5S+ 0 0 67 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.865 105.7 59.5 -66.1 -35.3 62.7 37.5 21.4 73 73 A A H 3<5S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.754 104.6 52.5 -63.6 -22.0 64.0 40.9 20.2 74 74 A A T <<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.374 119.7-113.6 -93.3 1.7 61.7 42.2 22.9 75 75 A G T < 5 + 0 0 43 -3,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.713 53.9 170.9 73.9 21.1 63.3 40.0 25.5 76 76 A V < - 0 0 2 -5,-2.1 -1,-0.2 -50,-0.1 -2,-0.1 -0.470 8.5-174.2 -69.4 130.4 60.1 38.0 26.0 77 77 A T > - 0 0 42 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.784 40.3-106.5-121.6 164.7 60.6 34.8 28.1 78 78 A P H > S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.891 121.5 55.2 -57.8 -37.9 58.3 31.9 29.1 79 79 A A H > S+ 0 0 57 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.904 108.3 47.0 -61.7 -42.1 58.1 33.4 32.6 80 80 A Q H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.826 107.8 57.8 -69.3 -30.4 56.8 36.7 31.2 81 81 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 104.9 49.9 -65.7 -40.3 54.4 34.8 29.0 82 82 A F H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.822 108.3 53.0 -68.9 -28.8 52.8 33.2 32.0 83 83 A E H X S+ 0 0 124 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.899 110.3 48.0 -70.6 -39.4 52.5 36.6 33.6 84 84 A M H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.913 110.3 52.3 -64.7 -43.1 50.7 37.9 30.5 85 85 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.909 106.4 52.9 -60.5 -43.0 48.5 34.8 30.6 86 86 A A H X S+ 0 0 29 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.921 112.5 45.2 -58.3 -45.1 47.5 35.4 34.2 87 87 A L H X S+ 0 0 65 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.892 109.9 53.6 -66.6 -42.5 46.5 39.0 33.3 88 88 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 3,-0.4 0.919 111.1 47.0 -59.5 -42.8 44.6 38.0 30.2 89 89 A R H < S+ 0 0 22 -4,-2.4 -1,-0.2 32,-0.3 -2,-0.2 0.836 108.1 56.0 -67.4 -33.7 42.6 35.5 32.3 90 90 A E H < S+ 0 0 151 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.761 113.4 41.3 -69.2 -25.7 41.9 38.1 35.0 91 91 A K H < S+ 0 0 82 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.778 125.0 34.0 -90.2 -31.7 40.4 40.4 32.3 92 92 A H < + 0 0 42 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.0 -0.873 63.9 178.0-130.6 97.8 38.5 37.8 30.4 93 93 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.670 77.0 36.0 -75.1 -19.6 37.1 35.0 32.7 94 94 A T S S+ 0 0 113 2,-0.1 -87,-0.1 -88,-0.0 -88,-0.1 0.693 82.8 104.8-109.6 -21.5 35.2 32.9 30.1 95 95 A I S S- 0 0 13 1,-0.1 -48,-0.2 -6,-0.1 2,-0.1 -0.413 74.5-118.1 -65.6 127.6 37.2 32.9 26.9 96 96 A P - 0 0 1 0, 0.0 -48,-2.4 0, 0.0 2,-0.5 -0.452 27.7-157.7 -67.3 136.2 39.0 29.6 26.3 97 97 A I E -f 48 0B 2 25,-0.3 27,-2.8 -50,-0.2 28,-1.6 -0.968 10.9-177.1-120.5 119.9 42.8 30.1 26.2 98 98 A G E -fg 49 125B 0 -50,-2.7 -48,-3.3 -2,-0.5 2,-0.3 -0.922 14.5-143.1-116.9 141.4 44.9 27.5 24.4 99 99 A L E -fg 50 126B 0 26,-2.3 28,-2.7 -2,-0.4 2,-0.7 -0.799 3.4-147.4-103.6 146.2 48.7 27.5 24.2 100 100 A L E +fg 51 127B 25 -50,-2.2 -48,-1.4 -2,-0.3 2,-0.3 -0.960 35.7 172.2-110.0 110.7 50.8 26.4 21.2 101 101 A M E - g 0 128B 2 26,-3.1 28,-2.6 -2,-0.7 2,-0.4 -0.750 33.3-134.1-120.4 166.9 54.0 24.9 22.7 102 102 A Y >> - 0 0 4 -2,-0.3 3,-1.3 26,-0.2 4,-0.8 -0.939 36.0-111.3-117.6 141.3 57.1 23.0 21.6 103 103 A A H >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.1 0.792 109.3 59.2 -42.1 -47.4 58.1 20.0 23.7 104 104 A N H 3> S+ 0 0 0 433,-0.7 4,-2.5 1,-0.3 -1,-0.3 0.849 102.5 53.1 -59.2 -34.1 61.3 21.4 25.2 105 105 A L H <4 S+ 0 0 13 -3,-1.3 4,-0.4 2,-0.2 -1,-0.3 0.738 114.8 42.6 -71.8 -21.6 59.5 24.4 26.9 106 106 A V H << S+ 0 0 1 -3,-1.1 8,-0.4 -4,-0.8 -2,-0.2 0.849 119.8 41.6 -87.9 -40.2 57.1 21.9 28.5 107 107 A F H >< S+ 0 0 44 -4,-2.8 3,-2.0 1,-0.2 4,-0.2 0.783 93.9 88.4 -77.3 -30.2 59.7 19.4 29.5 108 108 A N T 3< S+ 0 0 30 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.839 104.1 16.6 -35.2 -69.5 62.3 21.9 30.7 109 109 A N T 3 S- 0 0 82 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.043 137.1 -59.1-100.4 26.8 61.4 22.4 34.3 110 110 A G <> - 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0 0 6 -2,-2.0 -291,-2.1 -299,-0.2 2,-0.3 0.693 55.2 -9.9 -52.6 -27.1 87.0 10.2 10.9 637 378 B G B -Q 344 0E 3 -293,-0.2 -30,-2.3 -30,-0.1 -299,-0.3 -0.992 69.0 -92.3-165.9 171.0 88.4 12.5 8.3 638 379 B R B -W 606 0I 112 -295,-2.2 3,-0.3 -2,-0.3 -30,-0.2 -0.573 25.9-142.0 -90.0 156.5 91.3 14.3 6.6 639 380 B G > + 0 0 0 -34,-2.8 3,-2.0 -32,-0.2 4,-0.5 0.209 67.3 111.0-107.0 16.3 92.3 17.9 7.6 640 381 B D G > S+ 0 0 92 -35,-0.3 3,-1.1 1,-0.3 4,-0.3 0.863 81.4 58.8 -55.3 -32.0 93.2 19.5 4.3 641 382 B K G 3 S+ 0 0 83 -3,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.683 102.3 53.3 -70.1 -18.7 90.1 21.6 4.8 642 383 B D G <> S+ 0 0 14 -3,-2.0 4,-2.5 1,-0.2 5,-0.3 0.402 76.6 101.7 -98.2 1.1 91.4 22.9 8.1 643 384 B I H <> S+ 0 0 68 -3,-1.1 4,-2.4 -4,-0.5 -1,-0.2 0.912 84.4 44.1 -49.8 -54.2 94.7 24.2 6.8 644 385 B F H > S+ 0 0 155 -4,-0.3 4,-3.1 2,-0.2 5,-0.3 0.907 111.9 53.6 -61.0 -43.7 93.7 27.8 6.8 645 386 B T H > S+ 0 0 57 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.928 112.9 42.5 -57.4 -48.6 92.0 27.6 10.2 646 387 B V H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.886 115.0 52.5 -65.9 -38.9 95.1 26.2 11.8 647 388 B H H X S+ 0 0 120 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.962 105.8 50.9 -61.7 -55.6 97.3 28.7 9.9 648 389 B D H X S+ 0 0 101 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.841 112.7 49.4 -52.4 -36.6 95.4 31.8 10.9 649 390 B I H X S+ 0 0 39 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.2 0.969 109.8 47.1 -68.9 -55.3 95.7 30.8 14.5 650 391 B L H < S+ 0 0 76 -4,-2.4 4,-0.3 1,-0.2 3,-0.2 0.844 117.2 47.9 -54.7 -33.4 99.4 30.0 14.5 651 392 B K H >< S+ 0 0 60 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.948 106.4 53.2 -72.6 -50.8 99.8 33.4 12.8 652 393 B A H 3< S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.566 113.4 48.0 -62.4 -6.8 97.5 35.3 15.2 653 394 B R T 3< 0 0 155 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.442 360.0 360.0-112.0 -4.8 99.7 33.9 17.9 654 395 B G < 0 0 101 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.133 360.0 360.0 72.2 360.0 103.1 34.7 16.4