==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PYRIDOXAL PHOSPHATE BINDING 15-JUL-11 3SY1 . COMPND 2 MOLECULE: UPF0001 PROTEIN YGGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.VOROBIEV,M.SU,L.NIVON,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICC . 229 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 0 2 1 1 1 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 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 0 243 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.1 -6.0 9.0 47.2 2 2 A M - 0 0 114 4,-0.0 2,-0.0 3,-0.0 0, 0.0 -0.985 360.0-111.1-134.8 148.3 -3.2 10.4 44.9 3 3 A N > - 0 0 49 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.375 38.5-105.1 -70.3 163.1 -0.0 8.8 43.8 4 4 A D H > S+ 0 0 127 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.898 118.6 50.5 -58.2 -44.5 3.2 10.2 45.2 5 5 A I H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 113.1 45.7 -63.2 -42.7 4.2 12.1 42.0 6 6 A A H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 113.9 49.4 -65.9 -42.2 0.8 13.7 41.7 7 7 A H H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.936 112.7 47.7 -59.3 -48.2 0.7 14.6 45.4 8 8 A N H X S+ 0 0 38 -4,-3.1 4,-2.7 218,-0.2 5,-0.2 0.892 109.4 52.5 -63.3 -41.1 4.2 16.1 45.1 9 9 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.916 109.3 50.2 -60.5 -41.3 3.4 18.1 42.0 10 10 A A H X S+ 0 0 46 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.908 111.8 48.7 -64.0 -39.7 0.4 19.6 43.7 11 11 A Q H X S+ 0 0 91 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 113.4 45.3 -64.6 -47.1 2.6 20.5 46.7 12 12 A V H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.925 112.4 50.9 -65.7 -43.9 5.3 22.1 44.6 13 13 A R H X S+ 0 0 86 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.891 110.2 50.9 -60.0 -39.2 2.8 24.0 42.4 14 14 A D H X S+ 0 0 111 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.906 109.3 49.7 -67.5 -40.4 1.0 25.3 45.6 15 15 A K H X S+ 0 0 88 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 112.8 47.8 -63.0 -41.7 4.3 26.5 47.1 16 16 A I H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.931 111.9 49.8 -63.4 -45.7 5.2 28.3 43.8 17 17 A S H X S+ 0 0 42 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.925 111.5 47.9 -59.1 -47.7 1.7 29.9 43.6 18 18 A A H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.885 112.1 49.6 -61.7 -40.0 1.9 31.1 47.2 19 19 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.922 111.3 49.0 -66.5 -43.3 5.4 32.6 46.6 20 20 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 3,-0.6 0.969 113.9 45.2 -58.3 -53.7 4.3 34.3 43.4 21 21 A T H ><5S+ 0 0 89 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.905 108.4 58.0 -58.3 -42.3 1.3 35.9 45.1 22 22 A R H 3<5S+ 0 0 151 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.831 109.8 43.8 -59.7 -33.8 3.3 36.9 48.2 23 23 A C T <<5S- 0 0 48 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.206 124.0 -99.9-101.8 19.8 5.7 38.9 46.0 24 24 A G T < 5S+ 0 0 71 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.681 83.1 123.0 79.8 19.6 2.9 40.5 43.9 25 25 A R < - 0 0 34 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.760 66.2-109.1-109.8 154.4 3.3 38.3 40.9 26 26 A S > - 0 0 48 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.668 24.6-127.9 -76.2 138.7 0.7 36.1 39.2 27 27 A P G > S+ 0 0 33 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.814 108.6 68.6 -53.3 -28.8 1.3 32.4 39.7 28 28 A E G 3 S+ 0 0 154 1,-0.3 -11,-0.0 -11,-0.1 -2,-0.0 0.643 83.6 71.9 -67.9 -14.2 1.1 32.1 35.9 29 29 A E G < S+ 0 0 90 -3,-2.4 2,-0.5 1,-0.1 -1,-0.3 0.676 89.5 71.3 -72.0 -17.2 4.4 34.0 35.7 30 30 A I < - 0 0 13 -3,-1.7 2,-0.5 -4,-0.3 189,-0.2 -0.897 68.7-155.8-110.5 125.1 6.3 31.0 37.0 31 31 A T E -a 219 0A 56 187,-3.1 189,-2.4 -2,-0.5 2,-0.6 -0.845 9.9-145.8 -97.8 125.7 6.8 27.8 34.9 32 32 A L E -a 220 0A 18 -2,-0.5 2,-0.5 187,-0.2 22,-0.3 -0.816 13.2-167.1 -89.2 124.5 7.5 24.6 36.8 33 33 A V E -a 221 0A 1 187,-3.0 189,-2.5 -2,-0.6 2,-0.6 -0.950 15.0-138.9-110.9 128.9 9.8 22.2 35.0 34 34 A A E -ab 222 55A 0 20,-2.3 22,-2.4 -2,-0.5 2,-0.9 -0.794 11.5-141.4 -89.8 119.2 10.0 18.6 36.3 35 35 A V E + b 0 56A 27 187,-2.8 192,-0.2 -2,-0.6 22,-0.2 -0.703 26.8 172.8 -83.7 106.8 13.6 17.4 36.4 36 36 A S > + 0 0 0 20,-2.1 3,-2.3 -2,-0.9 21,-0.2 0.325 20.7 140.7-104.2 7.9 13.2 13.8 35.3 37 37 A K T 3 S+ 0 0 79 19,-0.7 20,-0.1 1,-0.3 -2,-0.0 -0.244 78.0 9.7 -53.1 137.6 16.9 12.7 34.9 38 38 A T T 3 S+ 0 0 89 1,-0.2 -1,-0.3 21,-0.1 -2,-0.1 0.322 104.6 113.5 71.0 -3.3 17.5 9.2 36.2 39 39 A K < - 0 0 38 -3,-2.3 -1,-0.2 1,-0.1 5,-0.1 -0.769 69.7-112.1 -98.9 143.3 13.7 8.6 36.5 40 40 A P >> - 0 0 73 0, 0.0 4,-1.6 0, 0.0 3,-1.3 -0.222 25.6-107.2 -72.7 162.3 12.0 6.0 34.3 41 41 A A H 3> S+ 0 0 27 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.838 119.8 63.7 -52.2 -35.3 9.5 6.8 31.6 42 42 A S H 3> S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.844 101.4 50.1 -60.7 -31.9 6.8 5.4 33.9 43 43 A A H <> S+ 0 0 13 -3,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.915 110.3 48.7 -72.7 -43.0 7.5 8.2 36.4 44 44 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.906 107.7 56.7 -60.8 -39.6 7.2 10.8 33.6 45 45 A A H X S+ 0 0 43 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.896 105.7 49.8 -60.5 -41.1 4.0 9.1 32.6 46 46 A E H X S+ 0 0 80 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.910 110.7 50.3 -62.7 -40.3 2.6 9.6 36.1 47 47 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 3,-0.3 0.916 110.1 49.8 -63.3 -42.2 3.6 13.3 36.0 48 48 A I H ><5S+ 0 0 21 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.904 107.0 54.3 -61.1 -41.3 1.9 13.7 32.6 49 49 A D H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.7 54.1 -63.6 -26.2 -1.2 12.1 34.0 50 50 A A T 3<5S- 0 0 23 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.090 129.8 -97.0 -96.0 19.5 -1.0 14.8 36.7 51 51 A G T < 5S+ 0 0 43 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.397 75.2 143.2 89.7 -2.8 -0.9 17.5 34.1 52 52 A Q < + 0 0 12 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.526 14.3 165.9 -74.3 136.0 2.9 18.1 33.9 53 53 A R + 0 0 108 -2,-0.2 26,-2.7 1,-0.2 2,-0.5 0.585 51.7 70.7-123.9 -20.3 4.0 18.9 30.4 54 54 A Q E + c 0 79A 15 -22,-0.3 -20,-2.3 24,-0.2 2,-0.3 -0.916 57.5 177.5-112.3 128.3 7.6 20.3 30.7 55 55 A F E -bc 34 80A 0 24,-2.4 26,-3.2 -2,-0.5 2,-0.4 -0.930 18.6-145.2-130.6 147.1 10.5 18.1 31.6 56 56 A S E -bc 35 81A 8 -22,-2.4 -20,-2.1 -2,-0.3 -19,-0.7 -0.948 13.7-171.1-115.9 133.9 14.2 18.6 32.0 57 57 A E E - c 0 82A 1 24,-2.7 26,-2.7 -2,-0.4 27,-0.5 -0.935 13.5-167.6-124.5 147.9 16.8 15.9 31.1 58 58 A H S S+ 0 0 58 -2,-0.3 2,-0.4 25,-0.2 -1,-0.1 0.635 72.3 60.5-108.6 -22.4 20.5 16.0 31.9 59 59 A Y S > S- 0 0 119 1,-0.1 4,-2.5 25,-0.1 5,-0.2 -0.941 71.9-142.7-118.3 132.0 21.9 13.1 29.8 60 60 A V H > S+ 0 0 3 -2,-0.4 4,-2.9 2,-0.2 5,-0.2 0.933 95.7 41.2 -64.8 -53.4 21.5 13.1 26.0 61 61 A Q H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 116.3 50.1 -63.2 -45.1 20.8 9.5 25.2 62 62 A E H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 114.3 45.9 -55.2 -48.6 18.5 9.0 28.2 63 63 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.924 111.7 49.7 -62.8 -45.9 16.5 12.1 27.2 64 64 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.902 108.8 53.1 -61.1 -40.6 16.3 11.2 23.5 65 65 A D H X S+ 0 0 80 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.914 111.5 46.3 -62.9 -39.7 15.0 7.7 24.4 66 66 A K H X S+ 0 0 13 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.918 111.2 51.5 -66.7 -43.8 12.3 9.2 26.5 67 67 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.949 112.8 45.4 -58.9 -48.2 11.4 11.8 23.9 68 68 A R H X S+ 0 0 92 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.905 109.5 57.0 -60.7 -42.2 11.1 9.0 21.2 69 69 A H H X S+ 0 0 78 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.935 111.4 40.6 -55.9 -49.0 9.1 6.9 23.7 70 70 A F H X>S+ 0 0 4 -4,-2.3 5,-2.2 2,-0.2 4,-0.5 0.851 112.2 55.6 -74.7 -30.8 6.4 9.5 24.2 71 71 A Q H ><5S+ 0 0 119 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.935 107.7 50.2 -59.4 -45.9 6.4 10.5 20.6 72 72 A E H 3<5S+ 0 0 162 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.824 107.9 52.7 -64.1 -32.0 5.6 6.8 19.7 73 73 A L H 3<5S- 0 0 114 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.565 114.1-121.0 -78.6 -10.5 2.8 6.8 22.2 74 74 A G T <<5 + 0 0 53 -3,-1.2 2,-0.5 -4,-0.5 -3,-0.2 0.710 51.3 164.5 78.0 21.7 1.4 9.9 20.6 75 75 A V < - 0 0 50 -5,-2.2 3,-0.3 2,-0.0 -1,-0.2 -0.615 19.7-160.5 -75.4 121.5 1.5 12.0 23.7 76 76 A T + 0 0 117 -2,-0.5 -1,-0.0 1,-0.2 -5,-0.0 -0.539 56.8 39.4-102.7 164.7 1.1 15.6 22.7 77 77 A G S S+ 0 0 58 1,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.563 74.2 143.4 81.0 10.7 1.9 19.0 24.3 78 78 A L - 0 0 25 -3,-0.3 2,-0.4 -11,-0.1 -1,-0.2 -0.540 33.3-161.3 -84.4 149.7 5.2 18.0 25.8 79 79 A E E -c 54 0A 76 -26,-2.7 -24,-2.4 -2,-0.2 2,-0.5 -0.995 7.4-158.5-128.5 128.2 8.2 20.3 26.1 80 80 A W E -c 55 0A 10 -2,-0.4 19,-2.4 -26,-0.2 20,-2.0 -0.919 2.9-163.3-114.3 126.2 11.6 18.9 26.7 81 81 A N E -cd 56 100A 3 -26,-3.2 -24,-2.7 -2,-0.5 2,-0.6 -0.881 10.4-149.3-105.4 133.1 14.5 20.9 28.1 82 82 A F E +cd 57 101A 2 18,-2.7 20,-2.6 -2,-0.4 21,-0.5 -0.925 27.2 162.6 -98.0 120.9 18.2 19.8 27.9 83 83 A A + 0 0 27 -26,-2.7 -25,-0.2 -2,-0.6 -1,-0.1 0.122 36.3 100.2-130.5 20.4 19.9 21.1 31.0 84 84 A G S S- 0 0 0 -27,-0.5 2,-0.2 1,-0.1 19,-0.2 -0.527 89.2 -82.7 -93.6 169.2 23.1 19.1 31.2 85 85 A P - 0 0 66 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.587 54.2-133.1 -67.2 135.5 26.5 20.3 30.1 86 86 A L - 0 0 5 17,-0.3 2,-0.3 -2,-0.2 5,-0.1 -0.869 11.3-148.1-103.5 121.8 26.5 19.6 26.4 87 87 A Q > - 0 0 83 -2,-0.6 3,-2.2 1,-0.1 4,-0.4 -0.658 21.6-124.4 -82.3 139.2 29.4 17.9 24.8 88 88 A S G > S+ 0 0 56 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.860 108.9 59.6 -46.6 -44.1 30.2 18.8 21.2 89 89 A N G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.595 109.0 43.6 -67.9 -10.4 30.0 15.2 20.1 90 90 A K G <> S+ 0 0 83 -3,-2.2 4,-1.3 1,-0.1 -1,-0.3 0.299 81.8 102.1-115.1 7.8 26.3 14.9 21.3 91 91 A S H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.4 5,-0.2 0.842 74.1 59.6 -64.8 -34.3 25.0 18.2 20.0 92 92 A R H > S+ 0 0 131 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.922 103.0 52.2 -64.0 -41.7 23.2 16.7 17.0 93 93 A L H > S+ 0 0 42 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.892 111.8 47.0 -58.3 -40.8 21.0 14.5 19.2 94 94 A V H >X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 3,-0.9 0.947 112.3 49.4 -65.7 -45.8 20.0 17.5 21.3 95 95 A A H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.800 111.9 49.9 -63.6 -30.2 19.3 19.6 18.2 96 96 A E H 3< S+ 0 0 76 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.652 125.8 19.0 -83.5 -15.1 17.2 16.8 16.7 97 97 A H H << S+ 0 0 28 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.664 98.4 84.8-131.6 -24.8 15.0 16.1 19.7 98 98 A F < - 0 0 1 -4,-2.5 -17,-0.2 -5,-0.2 3,-0.1 -0.484 48.1-157.2 -93.2 159.1 14.8 18.9 22.3 99 99 A D S S+ 0 0 46 -19,-2.4 26,-2.1 1,-0.3 2,-0.3 0.725 81.8 25.0 -98.6 -31.7 12.6 22.0 22.5 100 100 A W E -de 81 125A 6 -20,-2.0 -18,-2.7 24,-0.2 2,-0.5 -0.989 56.6-159.5-132.5 144.2 14.9 24.0 24.9 101 101 A C E -de 82 126A 1 24,-2.6 26,-2.1 -2,-0.3 3,-0.3 -0.987 10.2-177.6-121.9 120.9 18.5 24.0 25.7 102 102 A I E + 0 0 18 -20,-2.6 -19,-0.2 -2,-0.5 100,-0.1 0.568 67.5 63.5 -90.1 -13.4 19.2 25.7 29.0 103 103 A T E + 0 0 14 -21,-0.5 2,-0.7 -19,-0.2 -17,-0.3 -0.212 53.7 150.2-119.6 41.7 23.0 25.5 29.2 104 104 A I E + e 0 128A 1 23,-1.9 25,-2.5 -3,-0.3 37,-0.2 -0.640 9.2 146.1 -76.0 114.9 24.4 27.6 26.4 105 105 A D + 0 0 27 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.253 58.5 46.2-133.4 12.4 27.8 28.9 27.6 106 106 A R > - 0 0 73 1,-0.1 4,-1.7 35,-0.1 3,-0.4 -0.975 69.6-133.0-154.4 143.6 29.9 29.0 24.5 107 107 A L H > S+ 0 0 72 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.862 103.4 62.4 -61.4 -37.2 29.3 30.2 20.9 108 108 A R H > S+ 0 0 183 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 105.4 45.6 -58.8 -40.3 30.7 27.0 19.4 109 109 A I H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.909 112.4 50.5 -72.5 -40.0 28.0 24.9 20.9 110 110 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.911 110.4 51.1 -60.1 -41.7 25.2 27.3 20.0 111 111 A T H X S+ 0 0 45 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 110.0 48.6 -65.2 -42.1 26.6 27.3 16.4 112 112 A R H X S+ 0 0 87 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.927 111.4 49.4 -61.5 -46.7 26.5 23.5 16.2 113 113 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.2 0.929 112.2 49.3 -58.8 -44.5 23.0 23.3 17.6 114 114 A N H >< S+ 0 0 15 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.922 113.3 45.9 -56.7 -47.6 21.9 25.9 15.0 115 115 A D H 3< S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.710 115.5 46.5 -72.9 -19.7 23.6 24.1 12.2 116 116 A Q H 3< S+ 0 0 16 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.430 78.5 117.8-104.6 -1.5 22.2 20.7 13.2 117 117 A R S << S- 0 0 16 -4,-0.8 -21,-0.1 -3,-0.7 -22,-0.1 -0.523 73.6-113.2 -68.1 122.3 18.6 21.7 13.8 118 118 A P > - 0 0 26 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.258 20.2-121.7 -59.3 146.2 16.4 19.8 11.3 119 119 A A T 3 S+ 0 0 95 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.747 107.6 54.6 -60.0 -26.6 14.7 21.9 8.7 120 120 A E T 3 S+ 0 0 158 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.611 93.0 86.7 -89.4 -8.3 11.2 20.8 9.6 121 121 A L S < S- 0 0 50 -3,-1.4 3,-0.1 1,-0.1 -4,-0.0 -0.517 83.8-102.9 -92.2 156.6 11.4 21.7 13.3 122 122 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.292 58.5 -78.1 -62.7 160.5 10.7 25.0 15.1 123 123 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 36,-0.3 -0.296 54.3-104.7 -58.0 149.1 13.8 27.0 16.1 124 124 A L E - f 0 159A 0 34,-2.5 36,-2.5 -3,-0.1 2,-0.3 -0.642 30.4-129.0 -78.9 124.9 15.4 25.6 19.3 125 125 A N E -ef 100 160A 23 -26,-2.1 -24,-2.6 -2,-0.4 2,-0.3 -0.582 33.6-173.1 -71.1 134.0 14.7 27.8 22.4 126 126 A V E -ef 101 161A 0 34,-2.8 36,-2.8 -2,-0.3 37,-0.7 -0.970 19.8-161.4-133.4 148.6 18.0 28.6 24.2 127 127 A L E - f 0 163A 0 -26,-2.1 -23,-1.9 -2,-0.3 2,-0.5 -0.957 24.2-126.8-117.8 144.5 19.0 30.3 27.4 128 128 A I E -ef 104 164A 0 35,-2.3 37,-2.2 -2,-0.4 2,-0.5 -0.811 27.1-135.0 -88.8 126.6 22.5 31.6 28.1 129 129 A Q E - f 0 165A 15 -25,-2.5 12,-2.7 -2,-0.5 2,-0.5 -0.723 16.3-159.1 -88.6 126.2 23.9 30.1 31.3 130 130 A I B -i 141 0B 1 35,-2.9 2,-1.3 -2,-0.5 37,-0.5 -0.890 16.4-142.5-102.8 130.8 25.6 32.5 33.7 131 131 A N + 0 0 14 10,-2.6 12,-0.3 -2,-0.5 9,-0.1 -0.792 35.7 167.2 -84.9 93.7 28.0 31.3 36.4 132 132 A I - 0 0 26 -2,-1.3 -1,-0.2 10,-0.1 11,-0.1 0.807 68.2 -3.9 -83.9 -31.0 26.8 33.8 38.9 133 133 A S S S+ 0 0 38 34,-0.2 2,-0.8 -3,-0.2 -1,-0.1 0.326 94.7 108.4-149.1 11.6 28.3 32.6 42.1 134 134 A D > + 0 0 33 1,-0.2 3,-1.5 5,-0.1 5,-0.1 -0.764 28.1 174.3-111.1 96.6 30.2 29.3 41.7 135 135 A E T 3 S+ 0 0 172 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.636 83.6 59.0 -68.2 -12.5 34.0 29.5 42.0 136 136 A N T 3 S+ 0 0 155 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.189 96.2 75.4-104.4 15.3 34.2 25.7 41.8 137 137 A S < - 0 0 35 -3,-1.5 32,-0.0 1,-0.1 -3,-0.0 -0.949 51.2-167.6-124.9 148.6 32.4 25.4 38.4 138 138 A K + 0 0 195 -2,-0.3 2,-0.4 3,-0.0 -1,-0.1 0.250 63.8 103.6-109.5 7.1 33.5 26.0 34.9 139 139 A S S S+ 0 0 43 -5,-0.1 -5,-0.1 -9,-0.1 -2,-0.1 -0.757 70.0 27.0 -91.0 138.5 30.0 25.9 33.5 140 140 A G S S- 0 0 12 -2,-0.4 -10,-0.3 -37,-0.2 2,-0.2 0.033 85.0 -93.9 91.8 151.9 28.3 29.1 32.6 141 141 A I B -i 130 0B 11 -12,-2.7 -10,-2.6 -37,-0.2 2,-0.2 -0.595 35.7-102.0 -97.0 162.8 29.8 32.4 31.5 142 142 A Q > - 0 0 98 -2,-0.2 3,-2.3 -12,-0.2 4,-0.3 -0.567 34.5-115.9 -74.0 148.4 30.8 35.4 33.6 143 143 A L G > S+ 0 0 68 -12,-0.3 3,-1.9 1,-0.3 4,-0.4 0.844 114.9 65.9 -54.5 -35.6 28.3 38.3 33.3 144 144 A A G 3 S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.710 100.4 51.3 -59.5 -19.9 31.0 40.4 31.7 145 145 A E G <> S+ 0 0 98 -3,-2.3 4,-2.0 1,-0.1 -1,-0.3 0.436 85.7 91.6 -95.0 -3.4 30.9 38.0 28.7 146 146 A L H <> S+ 0 0 5 -3,-1.9 4,-3.1 -4,-0.3 5,-0.3 0.911 79.1 53.6 -63.0 -48.2 27.2 38.2 28.3 147 147 A D H > S+ 0 0 97 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.905 112.5 46.0 -55.0 -44.4 27.0 41.1 25.7 148 148 A E H > S+ 0 0 159 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.938 117.0 41.9 -65.7 -48.5 29.4 39.3 23.4 149 149 A L H X S+ 0 0 14 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.927 113.7 51.9 -67.9 -43.6 27.8 35.9 23.6 150 150 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.900 107.6 52.1 -60.4 -42.4 24.2 37.1 23.4 151 151 A A H < S+ 0 0 38 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.915 113.8 44.1 -62.1 -40.4 24.9 39.2 20.3 152 152 A A H >< S+ 0 0 26 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.910 114.1 48.2 -70.9 -42.1 26.4 36.2 18.5 153 153 A V H >< S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.884 104.4 61.1 -66.7 -36.0 23.6 33.7 19.6 154 154 A A T 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.687 98.6 58.9 -64.0 -18.3 20.9 36.2 18.6 155 155 A E T < S+ 0 0 159 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.361 79.3 98.2 -93.7 4.8 22.3 36.0 15.0 156 156 A L X - 0 0 22 -3,-1.9 3,-1.7 1,-0.1 5,-0.1 -0.830 61.7-160.3 -95.2 108.4 21.7 32.2 14.7 157 157 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.639 83.4 57.0 -74.7 -15.2 18.4 31.9 12.9 158 158 A R T 3 S+ 0 0 62 -35,-0.1 -34,-2.5 -36,-0.0 2,-0.3 0.305 103.1 66.4 -96.2 8.1 17.5 28.3 13.9 159 159 A L E < -f 124 0A 14 -3,-1.7 2,-0.4 -36,-0.3 -34,-0.2 -0.840 69.4-148.1-114.9 160.9 17.7 29.2 17.6 160 160 A R E -f 125 0A 102 -36,-2.5 -34,-2.8 -2,-0.3 2,-0.6 -0.949 14.2-142.8-128.1 110.8 15.5 31.6 19.6 161 161 A L E +f 126 0A 7 -2,-0.4 -34,-0.2 -36,-0.2 3,-0.1 -0.638 27.9 169.5 -72.3 116.0 17.4 33.3 22.5 162 162 A R E - 0 0 48 -36,-2.8 38,-2.4 -2,-0.6 37,-2.1 0.518 48.6 -81.2-110.0 -9.7 14.8 33.4 25.3 163 163 A G E -fg 127 200A 0 -37,-0.7 -35,-2.3 35,-0.2 2,-0.3 -0.999 58.3 -39.4 148.4-145.5 16.8 34.6 28.2 164 164 A L E -fg 128 201A 0 36,-1.6 38,-2.8 -2,-0.3 2,-0.3 -0.836 31.6-167.3-126.9 157.4 19.2 33.4 30.9 165 165 A S E +fg 129 202A 4 -37,-2.2 -35,-2.9 -2,-0.3 2,-0.3 -0.938 9.3 175.1-135.1 161.6 19.8 30.5 33.3 166 166 A A - 0 0 12 36,-1.8 38,-0.5 -2,-0.3 -35,-0.1 -0.940 24.7-156.4-161.4 149.0 22.0 29.9 36.3 167 167 A I - 0 0 90 -37,-0.5 -34,-0.2 -2,-0.3 -33,-0.1 -0.904 29.4-152.6-121.6 96.9 22.7 27.4 38.9 168 168 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.217 31.5 -88.3 -59.6 156.5 24.2 29.3 41.9 169 169 A A - 0 0 28 1,-0.1 -35,-0.0 -32,-0.0 -32,-0.0 -0.404 62.3 -86.2 -55.5 145.2 26.6 27.6 44.3 170 170 A P - 0 0 129 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.342 53.2-164.8 -59.0 140.5 24.6 26.0 47.1 171 171 A E - 0 0 65 1,-0.1 6,-0.1 -3,-0.1 0, 0.0 -0.994 23.2-161.4-139.0 128.4 23.9 28.6 49.8 172 172 A S S S+ 0 0 101 -2,-0.4 2,-0.5 1,-0.0 -1,-0.1 0.723 73.4 75.3 -81.6 -22.7 22.8 28.0 53.3 173 173 A E >> - 0 0 113 1,-0.1 4,-2.0 2,-0.0 3,-0.6 -0.817 67.2-149.2-102.2 124.7 21.6 31.6 54.0 174 174 A Y H 3> S+ 0 0 106 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.893 98.1 57.9 -51.5 -45.3 18.3 32.9 52.5 175 175 A V H 3> S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 108.0 46.4 -59.7 -36.5 19.7 36.4 52.4 176 176 A R H <> S+ 0 0 104 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.887 109.4 54.2 -72.3 -39.7 22.6 35.3 50.2 177 177 A Q H X S+ 0 0 33 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.932 111.4 46.3 -57.3 -44.6 20.3 33.3 47.9 178 178 A F H X S+ 0 0 70 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.924 110.0 52.2 -66.4 -43.6 18.2 36.4 47.4 179 179 A E H X S+ 0 0 60 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.921 112.9 45.3 -58.5 -44.1 21.2 38.7 46.8 180 180 A V H X S+ 0 0 6 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.925 113.2 49.2 -66.1 -43.4 22.5 36.3 44.1 181 181 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.883 107.6 56.1 -63.3 -37.5 19.1 35.8 42.5 182 182 A R H X S+ 0 0 103 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.888 103.2 54.7 -60.6 -40.4 18.7 39.6 42.5 183 183 A Q H X S+ 0 0 66 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.911 109.6 47.3 -59.5 -42.4 21.9 39.9 40.5 184 184 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.890 109.2 53.6 -65.7 -39.1 20.5 37.5 37.9 185 185 A A H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.884 108.4 50.2 -63.5 -38.2 17.2 39.5 37.8 186 186 A V H X S+ 0 0 86 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.920 111.4 47.4 -65.1 -44.4 19.1 42.7 37.1 187 187 A A H X S+ 0 0 17 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.915 112.9 50.3 -61.7 -42.3 21.1 41.0 34.2 188 188 A F H X S+ 0 0 9 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.925 108.7 50.8 -61.5 -48.0 17.8 39.6 32.9 189 189 A A H X S+ 0 0 53 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.896 111.0 49.5 -58.4 -39.9 16.1 42.9 32.9 190 190 A G H >< S+ 0 0 20 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.917 106.7 54.6 -66.4 -42.4 19.0 44.5 31.1 191 191 A L H >X S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 4,-1.4 0.873 101.2 60.8 -59.2 -37.2 18.9 41.8 28.4 192 192 A K H 3< S+ 0 0 105 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.797 98.6 56.6 -59.2 -31.6 15.3 42.5 27.8 193 193 A T T << S+ 0 0 114 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.588 113.9 39.7 -78.7 -6.8 16.1 46.1 26.8 194 194 A R T <4 S+ 0 0 116 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.621 115.1 39.2-117.0 -17.4 18.5 44.8 24.1 195 195 A Y S >< S- 0 0 52 -4,-1.4 3,-0.5 3,-0.0 -1,-0.2 -0.951 75.0-113.4-138.1 152.4 16.8 41.8 22.5 196 196 A P T 3 S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.395 92.5 17.3 -80.3 162.7 13.3 40.7 21.5 197 197 A H T 3 S+ 0 0 70 1,-0.2 2,-0.9 -2,-0.1 3,-0.1 0.784 72.1 155.3 43.5 39.9 11.4 37.8 23.1 198 198 A I < + 0 0 13 -3,-0.5 -35,-0.2 -6,-0.2 -1,-0.2 -0.860 17.5 132.4 -88.6 105.7 13.6 37.7 26.2 199 199 A D + 0 0 72 -37,-2.1 2,-0.5 -2,-0.9 -36,-0.2 0.339 40.5 82.8-138.6 4.0 11.0 36.2 28.6 200 200 A T E +g 163 0A 6 -38,-2.4 -36,-1.6 -3,-0.1 2,-0.5 -0.963 36.0 173.4-129.1 123.8 12.7 33.4 30.5 201 201 A L E -g 164 0A 0 -2,-0.5 17,-2.4 -38,-0.2 18,-1.7 -0.951 18.8-159.9-123.4 105.0 14.9 33.4 33.6 202 202 A A E +gh 165 219A 13 -38,-2.8 -36,-1.8 -2,-0.5 2,-0.3 -0.788 36.4 135.4 -90.6 105.7 15.6 29.8 34.6 203 203 A L + 0 0 5 16,-1.9 16,-0.2 -2,-0.9 -36,-0.1 -0.957 30.8 42.3-158.0 128.2 16.7 30.0 38.2 204 204 A G - 0 0 8 -38,-0.5 17,-2.1 -2,-0.3 2,-0.2 0.109 36.5-161.9 111.2 139.7 15.9 28.1 41.4 205 205 A Q - 0 0 102 15,-0.2 4,-0.4 17,-0.1 17,-0.2 -0.434 56.3 -66.7-125.7-156.0 15.3 24.6 42.7 206 206 A S S > S+ 0 0 52 1,-0.2 3,-1.0 15,-0.2 4,-0.4 0.952 127.4 47.2 -69.0 -49.3 13.6 23.6 45.9 207 207 A D T 3 S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.723 125.0 30.8 -70.7 -21.3 16.0 25.0 48.6 208 208 A D T 3> S+ 0 0 25 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 0.211 86.2 110.0-119.4 16.8 16.3 28.4 46.9 209 209 A M H <> S+ 0 0 8 -3,-1.0 4,-2.9 -4,-0.4 5,-0.3 0.885 75.8 53.0 -60.5 -44.3 12.9 28.6 45.3 210 210 A E H > S+ 0 0 66 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.937 113.2 43.4 -61.1 -46.9 11.6 31.4 47.6 211 211 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 114.2 51.0 -61.8 -46.7 14.5 33.6 46.9 212 212 A A H X>S+ 0 0 1 -4,-2.5 5,-2.9 1,-0.2 4,-1.4 0.918 112.5 44.8 -60.5 -46.6 14.5 32.9 43.2 213 213 A I H <5S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.932 112.6 50.8 -65.6 -44.5 10.8 33.7 42.8 214 214 A A H <5S+ 0 0 34 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.854 110.8 51.0 -59.7 -33.5 10.9 36.8 44.9 215 215 A A H <5S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.767 130.1 -87.6 -77.1 -27.2 13.9 38.0 42.8 216 216 A G T <5 + 0 0 20 -4,-1.4 -3,-0.2 -3,-0.4 -2,-0.1 0.499 64.8 160.4 131.2 9.7 12.2 37.5 39.5 217 217 A S < - 0 0 0 -5,-2.9 -15,-0.2 -6,-0.2 -1,-0.1 -0.275 17.7-172.1 -57.2 144.9 12.8 33.9 38.3 218 218 A T + 0 0 21 -17,-2.4 -187,-3.1 1,-0.3 2,-0.4 0.515 69.7 41.5-112.3 -9.4 10.3 32.8 35.6 219 219 A M E -ah 31 202A 12 -18,-1.7 -16,-1.9 -189,-0.2 2,-0.4 -0.960 62.6-172.1-146.4 116.9 11.2 29.0 35.4 220 220 A V E -a 32 0A 0 -189,-2.4 -187,-3.0 -2,-0.4 2,-0.5 -0.912 11.5-150.0-115.6 140.6 12.0 26.8 38.3 221 221 A A E -a 33 0A 32 -17,-2.1 2,-0.4 -2,-0.4 -187,-0.2 -0.942 16.6-177.6-118.8 116.8 13.4 23.2 37.9 222 222 A I E +a 34 0A 1 -189,-2.5 -187,-2.8 -2,-0.5 -166,-0.1 -0.949 15.6 155.3-123.7 130.5 12.5 20.6 40.5 223 223 A G S >> S+ 0 0 19 -2,-0.4 4,-2.8 -189,-0.2 3,-1.8 0.734 72.4 34.1-112.3 -78.1 13.6 17.0 40.8 224 224 A T H 3> S+ 0 0 102 1,-0.3 4,-2.2 2,-0.2 -2,-0.1 0.848 113.1 59.3 -56.5 -40.0 13.7 15.3 44.2 225 225 A A H 34 S+ 0 0 39 1,-0.2 -1,-0.3 2,-0.2 -213,-0.2 0.671 118.5 32.0 -67.6 -13.6 10.7 17.2 45.5 226 226 A I H <4 S+ 0 0 0 -3,-1.8 -218,-0.2 -191,-0.1 -2,-0.2 0.816 133.0 24.7-101.7 -50.2 8.6 15.8 42.7 227 227 A F H < S- 0 0 25 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.528 102.4-121.9 -99.8 -8.6 10.1 12.3 42.0 228 228 A G < 0 0 29 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.102 360.0 360.0 85.8 170.0 11.7 11.4 45.3 229 229 A A 0 0 123 -4,-0.1 -1,-0.2 -5,-0.0 -5,-0.1 0.873 360.0 360.0 -63.7 360.0 15.3 10.6 46.0