==== 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 10-JAN-07 2OI7 . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.R.OLSEN,M.W.VETTING,S.L.RODERICK . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 242 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 6.0 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 . 6 0.7 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 . 108 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 0 1 0 1 6 1 2 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 29 11 3 3 3 0 0 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 4 A N 0 0 160 0, 0.0 2,-0.2 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 145.6 -39.8 42.7 132.3 2 5 A A + 0 0 48 91,-0.3 93,-2.9 43,-0.1 2,-0.3 -0.451 360.0 168.8 -67.5 128.0 -38.7 39.5 134.1 3 6 A M E -a 95 0A 4 41,-0.3 43,-3.0 91,-0.3 44,-0.4 -0.999 15.0-178.4-144.8 136.8 -34.9 39.2 134.5 4 7 A S E -a 96 0A 0 91,-3.1 93,-2.8 -2,-0.3 2,-0.4 -0.956 17.0-138.4-131.0 153.7 -32.5 37.0 136.4 5 8 A V E -ab 97 48A 0 42,-2.7 44,-3.3 -2,-0.3 2,-0.4 -0.894 6.2-159.9-118.4 146.3 -28.7 37.0 136.6 6 9 A V E -ab 98 49A 0 91,-2.8 93,-2.7 -2,-0.4 2,-0.6 -0.984 6.2-164.0-123.0 121.6 -26.1 34.3 136.7 7 10 A I E -ab 99 50A 0 42,-3.6 44,-3.2 -2,-0.4 2,-0.4 -0.920 7.5-153.8-110.4 117.8 -22.6 34.8 138.0 8 11 A L E +ab 100 51A 19 91,-2.1 93,-2.2 -2,-0.6 94,-0.2 -0.753 33.9 144.6 -89.6 131.4 -19.9 32.3 137.1 9 12 A A E + b 0 52A 23 42,-2.0 44,-0.5 -2,-0.4 14,-0.2 0.040 32.0 111.3-156.4 33.0 -17.1 32.0 139.6 10 13 A A + 0 0 10 42,-0.3 42,-0.1 43,-0.1 2,-0.1 0.408 50.6 110.6 -93.0 0.3 -16.1 28.4 139.7 11 14 A G S S- 0 0 54 1,-0.1 2,-0.5 42,-0.1 11,-0.2 -0.376 75.0-109.3 -73.4 153.4 -12.7 29.0 138.0 12 15 A K - 0 0 86 -2,-0.1 2,-1.2 1,-0.1 3,-0.2 -0.737 17.1-149.5 -89.3 127.8 -9.5 28.6 140.0 13 16 A G > + 0 0 25 -2,-0.5 3,-1.6 1,-0.2 5,-0.4 -0.461 35.6 155.5 -91.5 62.4 -7.6 31.9 140.9 14 17 A T G > + 0 0 105 -2,-1.2 3,-2.3 1,-0.3 -1,-0.2 0.915 64.0 58.9 -56.3 -51.5 -4.1 30.4 140.8 15 18 A R G 3 S+ 0 0 130 1,-0.3 211,-0.5 -3,-0.2 -1,-0.3 0.318 92.7 72.2 -66.3 13.2 -2.1 33.5 140.1 16 19 A M G < S- 0 0 2 -3,-1.6 -1,-0.3 209,-0.2 -2,-0.2 0.686 86.3-150.5 -96.1 -22.4 -3.5 35.1 143.3 17 20 A Y < + 0 0 188 -3,-2.3 2,-0.3 -4,-0.4 -2,-0.1 0.937 48.8 137.8 49.9 52.6 -1.4 32.8 145.5 18 21 A S - 0 0 40 -5,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.937 64.3-144.8-133.1 149.7 -4.1 33.0 148.1 19 22 A D S S+ 0 0 174 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.172 87.7 80.5 -92.4 15.8 -5.9 30.7 150.6 20 23 A L S S- 0 0 66 -4,-0.0 -2,-0.1 38,-0.0 5,-0.1 -0.965 97.9 -96.8-123.0 136.5 -9.0 32.8 149.9 21 24 A P > - 0 0 27 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.314 36.2-123.0 -52.6 130.8 -11.3 32.3 146.8 22 25 A K G > S+ 0 0 25 1,-0.3 3,-2.7 2,-0.2 10,-0.3 0.876 109.8 55.3 -40.7 -60.7 -10.3 34.9 144.2 23 26 A V G 3 S+ 0 0 9 1,-0.3 10,-3.1 -14,-0.2 11,-0.4 0.599 100.9 63.0 -54.3 -13.5 -13.8 36.5 143.9 24 27 A L G < S+ 0 0 12 -3,-2.4 -1,-0.3 7,-0.2 2,-0.2 0.588 73.2 112.0 -87.3 -14.4 -13.7 37.1 147.7 25 28 A H S < S- 0 0 19 -3,-2.7 7,-1.9 -4,-0.5 8,-0.1 -0.452 74.3-115.9 -63.7 126.9 -10.6 39.4 147.5 26 29 A T E -J 31 0B 88 5,-0.3 2,-0.3 -2,-0.2 5,-0.3 -0.245 29.9-173.8 -69.3 151.2 -11.9 42.9 148.5 27 30 A L E > S-J 30 0B 0 3,-3.1 3,-1.0 205,-0.0 203,-0.0 -0.944 77.7 -11.1-144.5 116.7 -12.0 46.0 146.3 28 31 A A T 3 S- 0 0 6 -2,-0.3 3,-0.1 1,-0.2 233,-0.0 0.904 136.0 -44.6 58.4 40.9 -13.1 49.3 147.9 29 32 A G T 3 S+ 0 0 51 1,-0.1 2,-0.3 231,-0.1 -1,-0.2 0.477 124.8 73.5 87.9 -2.7 -14.2 47.6 151.0 30 33 A K E < S-J 27 0B 64 -3,-1.0 -3,-3.1 -5,-0.1 -1,-0.1 -0.990 86.9 -85.3-145.5 157.0 -16.1 44.6 149.6 31 34 A A E > -J 26 0B 16 -2,-0.3 4,-1.6 -5,-0.3 3,-0.5 -0.241 37.6-121.7 -58.3 139.3 -15.5 41.3 147.9 32 35 A M H >> S+ 0 0 0 -7,-1.9 4,-1.2 -10,-0.3 3,-0.5 0.918 114.7 50.7 -47.6 -48.5 -15.1 41.5 144.1 33 36 A V H 3> S+ 0 0 0 -10,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.843 102.8 60.0 -61.1 -33.8 -18.1 39.1 143.7 34 37 A Q H 3> S+ 0 0 30 -3,-0.5 4,-2.6 -11,-0.4 -1,-0.2 0.877 100.3 56.1 -61.9 -37.1 -20.2 41.2 146.0 35 38 A H H S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.6 0.975 115.2 35.8 -62.5 -53.9 -27.2 42.4 139.6 41 44 A N H ><5S+ 0 0 54 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.882 113.9 58.3 -67.1 -38.4 -29.8 43.5 142.2 42 45 A E H 3<5S+ 0 0 140 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.798 103.2 53.9 -61.5 -30.4 -29.3 47.2 141.3 43 46 A L H 3<5S- 0 0 14 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.693 128.4 -99.9 -78.5 -17.0 -30.4 46.3 137.7 44 47 A G T <<5 + 0 0 55 -3,-1.1 -41,-0.3 -4,-0.6 -3,-0.2 0.635 56.6 176.8 107.5 19.6 -33.5 44.7 139.1 45 48 A A < - 0 0 11 -5,-2.1 -41,-0.2 -6,-0.2 -1,-0.2 -0.318 19.8-159.5 -58.3 131.1 -32.5 41.0 139.0 46 49 A A S S+ 0 0 51 -43,-3.0 2,-0.4 1,-0.3 -42,-0.2 0.933 79.3 15.7 -76.0 -53.8 -35.2 38.7 140.5 47 50 A H - 0 0 102 -44,-0.4 -42,-2.7 -7,-0.1 2,-0.6 -0.964 66.3-153.9-124.8 142.0 -32.8 35.8 141.2 48 51 A V E -bc 5 68A 0 19,-2.9 21,-2.2 -2,-0.4 2,-0.6 -0.918 12.3-160.8-114.8 103.0 -29.1 35.9 141.3 49 52 A H E -bc 6 69A 5 -44,-3.3 -42,-3.6 -2,-0.6 2,-0.6 -0.751 4.4-162.4 -86.8 124.5 -27.6 32.4 140.5 50 53 A L E -bc 7 70A 2 19,-2.5 21,-3.2 -2,-0.6 2,-0.6 -0.927 2.9-156.7-110.5 116.6 -24.0 32.0 141.7 51 54 A V E +bc 8 71A 0 -44,-3.2 -42,-2.0 -2,-0.6 2,-0.3 -0.823 21.3 173.4 -94.7 120.1 -21.9 29.2 140.2 52 55 A Y E -bc 9 72A 35 19,-2.1 21,-2.5 -2,-0.6 -42,-0.3 -0.843 27.4-169.7-124.7 162.8 -19.0 28.1 142.4 53 56 A G - 0 0 17 -44,-0.5 2,-0.2 1,-0.5 -1,-0.1 0.752 69.6 -12.3-114.2 -53.6 -16.4 25.3 142.3 54 57 A H S S+ 0 0 172 -43,-0.2 -1,-0.5 1,-0.1 5,-0.1 -0.782 108.6 52.7-140.1-177.7 -14.6 25.3 145.7 55 58 A G >> + 0 0 15 -2,-0.2 4,-2.4 1,-0.1 3,-0.7 0.651 62.8 146.2 61.5 15.0 -14.2 27.4 148.8 56 59 A G H 3> + 0 0 7 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.743 62.8 61.5 -55.0 -25.1 -18.0 27.4 148.9 57 60 A D H 3> S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.932 108.0 39.9 -67.5 -48.7 -17.8 27.4 152.7 58 61 A L H <> S+ 0 0 65 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.834 115.9 55.9 -67.0 -33.8 -16.0 30.8 152.8 59 62 A L H X S+ 0 0 6 -4,-2.4 4,-3.0 2,-0.2 3,-0.3 0.972 107.8 44.2 -63.8 -55.4 -18.3 32.0 149.9 60 63 A K H < S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.802 115.6 51.4 -61.1 -27.7 -21.6 31.3 151.7 61 64 A Q H < S+ 0 0 128 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.851 115.2 39.8 -78.5 -32.9 -20.0 32.8 154.8 62 65 A A H < S+ 0 0 55 -4,-2.0 2,-0.5 -3,-0.3 -2,-0.2 0.810 114.9 54.6 -83.5 -33.6 -18.9 36.0 153.0 63 66 A L < + 0 0 3 -4,-3.0 -1,-0.1 -5,-0.2 -39,-0.0 -0.886 51.2 161.7-106.7 130.3 -22.1 36.4 150.8 64 67 A K + 0 0 177 -2,-0.5 2,-0.5 -3,-0.0 -4,-0.1 -0.334 13.7 152.7-144.2 59.3 -25.6 36.5 152.3 65 68 A D > - 0 0 31 1,-0.1 3,-2.2 -17,-0.1 -17,-0.1 -0.817 45.3-133.3 -93.5 126.3 -27.9 38.1 149.7 66 69 A D T 3 S+ 0 0 116 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.846 105.3 48.1 -42.1 -49.3 -31.5 36.9 150.1 67 70 A N T 3 S+ 0 0 39 -22,-0.1 -19,-2.9 2,-0.1 2,-0.8 0.022 82.0 127.0 -87.4 28.4 -32.0 36.2 146.3 68 71 A L E < -c 48 0A 19 -3,-2.2 2,-0.7 -21,-0.2 -19,-0.2 -0.774 39.2-170.5 -91.6 103.5 -28.7 34.2 146.1 69 72 A N E -c 49 0A 53 -21,-2.2 -19,-2.5 -2,-0.8 2,-0.4 -0.840 17.0-139.7 -97.7 114.7 -29.2 30.8 144.6 70 73 A W E -c 50 0A 57 -2,-0.7 2,-0.5 -21,-0.2 -19,-0.2 -0.593 19.0-173.5 -78.7 124.4 -26.1 28.7 144.9 71 74 A V E -c 51 0A 6 -21,-3.2 -19,-2.1 -2,-0.4 2,-0.2 -0.967 13.8-144.0-121.5 119.3 -25.2 26.5 141.9 72 75 A L E -c 52 0A 97 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.550 15.4-174.8 -84.6 143.7 -22.4 24.1 142.1 73 76 A Q - 0 0 8 -21,-2.5 9,-0.1 -2,-0.2 -2,-0.0 -0.755 1.6-176.2-133.5 86.5 -20.0 23.3 139.3 74 77 A A S S+ 0 0 73 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.915 74.3 35.7 -46.9 -53.7 -17.7 20.4 140.4 75 78 A E S S- 0 0 120 6,-0.0 2,-1.7 3,-0.0 -1,-0.1 -0.884 77.3-134.7-110.0 138.9 -15.6 20.4 137.2 76 79 A Q + 0 0 78 -2,-0.4 3,-0.1 1,-0.2 -64,-0.1 -0.568 41.7 155.8 -89.9 73.9 -14.7 23.5 135.2 77 80 A L - 0 0 58 -2,-1.7 116,-2.8 1,-0.3 4,-0.3 0.057 66.1 -62.7 -89.4 25.4 -15.5 22.1 131.8 78 81 A G > - 0 0 11 114,-0.2 4,-2.4 2,-0.1 -1,-0.3 -0.212 54.1 -79.2 114.1 156.0 -16.0 25.5 130.4 79 82 A T H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 115,-0.2 0.815 129.1 53.4 -58.0 -33.2 -18.3 28.5 130.7 80 83 A G H > S+ 0 0 0 113,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.932 107.5 48.7 -68.5 -47.1 -20.9 26.6 128.7 81 84 A H H > S+ 0 0 23 112,-0.9 4,-1.0 -4,-0.3 3,-0.2 0.923 111.7 51.8 -56.2 -45.7 -20.8 23.6 131.0 82 85 A A H >X S+ 0 0 3 -4,-2.4 3,-1.0 111,-0.3 4,-0.9 0.930 107.9 50.5 -58.2 -50.1 -21.1 26.1 134.0 83 86 A M H 3X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 3,-0.3 0.801 102.9 61.0 -59.7 -30.1 -24.2 27.7 132.5 84 87 A Q H 3< S+ 0 0 47 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.804 98.3 58.8 -67.7 -28.2 -25.8 24.3 132.0 85 88 A Q H << S+ 0 0 70 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.827 113.9 35.1 -70.1 -33.4 -25.6 23.8 135.7 86 89 A A H >< S+ 0 0 0 -4,-0.9 3,-2.4 -3,-0.3 -2,-0.2 0.733 95.7 89.7 -91.4 -20.9 -27.7 26.8 136.4 87 90 A A G >< S+ 0 0 10 -4,-1.9 3,-2.7 1,-0.3 -2,-0.2 0.833 77.0 64.1 -42.6 -49.2 -29.9 26.4 133.3 88 91 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.786 100.3 54.4 -48.6 -32.9 -32.5 24.2 135.1 89 92 A F G < S+ 0 0 117 -3,-2.4 2,-0.6 -4,-0.1 -2,-0.2 0.197 82.3 113.6 -89.9 16.9 -33.3 27.3 137.4 90 93 A F < - 0 0 4 -3,-2.7 2,-0.4 84,-0.1 6,-0.1 -0.803 67.1-130.5 -92.4 124.5 -34.0 29.6 134.4 91 94 A A > - 0 0 38 -2,-0.6 3,-2.2 1,-0.1 83,-0.4 -0.570 13.3-135.1 -71.8 126.1 -37.6 30.7 134.1 92 95 A D T 3 S+ 0 0 97 -2,-0.4 83,-1.1 1,-0.3 84,-0.3 0.849 104.1 42.5 -50.0 -41.5 -38.9 30.2 130.6 93 96 A D T 3 S+ 0 0 131 81,-0.1 -91,-0.3 80,-0.1 2,-0.3 0.186 102.8 85.0 -95.2 18.0 -40.5 33.6 130.4 94 97 A E S < S- 0 0 10 -3,-2.2 80,-2.9 -93,-0.1 81,-0.3 -0.843 76.6-116.0-116.6 159.1 -37.7 35.5 132.1 95 98 A D E -aD 3 173A 8 -93,-2.9 -91,-3.1 -2,-0.3 2,-0.5 -0.641 23.2-145.6 -89.0 149.8 -34.5 37.1 130.7 96 99 A I E -aD 4 172A 1 76,-3.3 76,-2.0 -2,-0.2 2,-0.5 -0.972 9.0-166.1-123.2 119.3 -31.1 35.8 131.8 97 100 A L E -aD 5 171A 0 -93,-2.8 -91,-2.8 -2,-0.5 2,-0.4 -0.900 11.4-150.9-103.7 125.7 -28.1 38.0 132.1 98 101 A M E +aD 6 170A 1 72,-2.8 72,-0.8 -2,-0.5 2,-0.3 -0.817 20.8 171.8-100.5 136.5 -24.7 36.3 132.4 99 102 A L E -a 7 0A 1 -93,-2.7 -91,-2.1 -2,-0.4 2,-0.4 -0.938 29.6-116.6-139.7 160.5 -21.8 38.0 134.4 100 103 A Y E > -a 8 0A 57 -2,-0.3 3,-1.1 -93,-0.2 -91,-0.2 -0.800 13.0-141.2-100.4 141.7 -18.3 37.1 135.6 101 104 A G T 3 S+ 0 0 0 -93,-2.2 -65,-0.2 -2,-0.4 -66,-0.1 0.616 101.5 53.3 -75.8 -11.6 -17.5 37.1 139.3 102 105 A D T 3 S+ 0 0 32 -94,-0.2 121,-1.5 1,-0.1 -1,-0.2 0.024 87.1 83.0-110.3 24.9 -14.1 38.7 138.6 103 106 A V X + 0 0 9 -3,-1.1 3,-0.9 119,-0.2 -3,-0.2 -0.655 50.9 165.0-128.0 76.3 -15.3 41.7 136.7 104 107 A P T 3 + 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -65,-0.1 0.646 61.8 63.3 -67.1 -22.9 -16.3 44.1 139.5 105 108 A L T 3 + 0 0 17 116,-0.4 115,-0.1 113,-0.4 114,-0.1 0.449 63.6 131.2 -89.3 1.1 -16.5 47.4 137.6 106 109 A I < - 0 0 10 -3,-0.9 2,-0.3 115,-0.1 114,-0.1 -0.295 52.1-138.1 -52.5 127.9 -19.4 46.5 135.3 107 110 A S > - 0 0 23 1,-0.1 4,-2.1 -68,-0.0 5,-0.2 -0.653 13.1-132.0 -96.3 152.6 -21.9 49.4 135.5 108 111 A V H > S+ 0 0 32 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.892 106.7 60.3 -64.2 -41.7 -25.7 49.3 135.7 109 112 A E H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 109.3 42.0 -52.0 -50.8 -26.0 51.9 133.0 110 113 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 114.8 50.8 -65.7 -42.1 -24.2 49.7 130.5 111 114 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.877 109.8 50.6 -63.2 -37.1 -26.1 46.5 131.7 112 115 A Q H X S+ 0 0 73 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.842 109.0 52.5 -69.3 -31.3 -29.4 48.4 131.2 113 116 A R H X S+ 0 0 82 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.879 106.9 51.8 -68.7 -39.2 -28.2 49.4 127.7 114 117 A L H X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.867 105.8 56.3 -66.1 -36.9 -27.5 45.7 126.9 115 118 A R H < S+ 0 0 41 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.946 107.3 47.6 -59.7 -50.0 -31.1 44.9 128.1 116 119 A D H < S+ 0 0 118 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.884 109.1 51.9 -60.8 -43.3 -32.7 47.3 125.7 117 120 A A H < S+ 0 0 33 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.786 82.0 111.2 -65.0 -26.2 -30.7 46.2 122.6 118 121 A K < - 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0 0 48 -3,-1.4 -22,-0.0 1,-0.1 -23,-0.0 -0.780 52.2-168.2 -87.4 119.2 -18.3 60.6 290.1 614 166 B Q + 0 0 70 -2,-0.6 -33,-2.1 -25,-0.1 2,-0.8 0.551 60.1 95.3 -88.0 -7.4 -16.3 58.8 287.5 615 167 B E E - N 0 580D 33 -35,-0.2 -25,-2.5 -25,-0.2 -35,-0.2 -0.759 62.2-175.2 -85.7 111.1 -18.6 55.7 287.3 616 168 B I E -QN 589 579D 1 -37,-2.5 -37,-1.4 -2,-0.8 2,-0.5 -0.581 30.0-105.0-107.0 167.7 -21.0 56.3 284.5 617 169 B N E - N 0 578D 11 -29,-2.6 -29,-0.4 -2,-0.2 -39,-0.2 -0.796 17.2-159.1 -89.9 126.0 -24.0 54.7 282.9 618 170 B T E - 0 0 5 -41,-1.8 -67,-0.1 -2,-0.5 -1,-0.1 0.618 40.9-119.8 -78.2 -11.2 -23.2 53.0 279.5 619 171 B G E S+ 0 0 2 -42,-0.4 2,-0.5 1,-0.3 -41,-0.1 0.293 78.9 116.0 90.2 -9.6 -26.9 53.2 278.7 620 172 B I E + 0 0 1 -43,-0.4 -43,-2.4 -70,-0.1 2,-0.3 -0.831 34.4 145.7-101.1 129.7 -27.2 49.4 278.4 621 173 B L E -MN 549 576D 1 -72,-1.2 -72,-2.9 -2,-0.5 2,-0.3 -0.984 29.2-148.0-156.9 160.0 -29.4 47.5 280.9 622 174 B I E +MN 548 575D 1 -47,-2.0 -47,-2.9 -2,-0.3 2,-0.3 -0.971 23.0 149.8-135.3 150.1 -31.6 44.5 281.1 623 175 B A E -MN 547 574D 0 -76,-1.5 -76,-4.3 -2,-0.3 -49,-0.1 -0.977 48.5 -69.8-166.5 168.8 -34.7 43.6 283.2 624 176 B N E > -M 546 0D 21 -51,-0.6 4,-2.9 -2,-0.3 -78,-0.2 -0.414 40.6-126.4 -67.9 142.8 -38.0 41.6 283.2 625 177 B G H > S+ 0 0 0 -80,-2.4 4,-2.9 2,-0.2 5,-0.3 0.934 107.7 50.8 -55.2 -50.1 -40.7 42.8 280.8 626 178 B A H > S+ 0 0 28 -83,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.960 114.1 43.5 -53.9 -56.1 -43.4 43.1 283.5 627 179 B D H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.914 112.5 54.2 -55.8 -46.6 -41.2 45.2 285.8 628 180 B M H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.922 108.5 48.1 -54.5 -48.6 -40.0 47.3 282.8 629 181 B K H X S+ 0 0 66 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.888 112.0 52.0 -61.2 -38.6 -43.6 48.1 281.8 630 182 B R H < S+ 0 0 98 -4,-2.2 4,-0.4 -5,-0.3 3,-0.3 0.932 110.1 44.9 -62.2 -50.8 -44.4 49.0 285.4 631 183 B W H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.784 108.4 59.3 -65.4 -29.6 -41.5 51.4 285.9 632 184 B L H >< S+ 0 0 4 -4,-1.8 3,-1.6 -5,-0.3 -1,-0.2 0.857 97.8 57.8 -70.3 -34.3 -42.1 53.1 282.6 633 185 B A T 3< S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.652 103.1 56.8 -70.7 -11.4 -45.7 54.1 283.6 634 186 B K T < S+ 0 0 120 -3,-0.7 -1,-0.3 -4,-0.4 2,-0.2 0.292 81.7 120.4-102.5 9.7 -44.2 56.0 286.5 635 187 B L < + 0 0 17 -3,-1.6 2,-0.2 -104,-0.1 9,-0.1 -0.503 33.0 170.4 -79.9 142.7 -41.9 58.2 284.4 636 188 B T - 0 0 72 -2,-0.2 9,-0.4 9,-0.1 12,-0.1 -0.629 35.4-124.5-132.1-170.0 -42.2 62.0 284.5 637 189 B N + 0 0 64 -2,-0.2 2,-2.1 7,-0.2 5,-0.2 -0.066 54.8 135.4-135.8 34.3 -40.0 64.8 283.1 638 190 B N + 0 0 146 4,-0.1 2,-0.2 3,-0.1 6,-0.0 -0.492 50.5 100.7 -85.2 70.4 -39.2 67.0 286.1 639 191 B N S > S- 0 0 31 -2,-2.1 3,-1.0 4,-0.1 -2,-0.0 -0.854 92.2 -78.4-143.4 176.5 -35.6 67.3 285.1 640 192 B A T 3 S+ 0 0 65 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.0 0.659 128.6 34.5 -55.5 -19.8 -33.1 69.8 283.5 641 193 B Q T 3 S- 0 0 83 2,-0.2 -1,-0.3 -4,-0.0 3,-0.1 0.559 98.8-126.2-113.8 -8.7 -34.3 68.8 280.0 642 194 B G < + 0 0 33 -3,-1.0 2,-0.2 1,-0.3 -2,-0.1 0.685 69.8 126.8 69.1 17.9 -38.0 68.2 280.5 643 195 B E S S- 0 0 66 -7,-0.0 2,-0.9 -112,-0.0 -114,-0.3 -0.514 71.2-103.5-100.7 170.9 -37.5 64.7 278.9 644 196 B Y - 0 0 67 -116,-2.5 -113,-3.0 -2,-0.2 -112,-0.8 -0.832 36.6-150.4 -98.2 98.6 -38.5 61.3 280.1 645 197 B Y > - 0 0 8 -2,-0.9 3,-1.4 -9,-0.4 4,-0.2 -0.562 11.7-159.7 -70.4 120.1 -35.2 59.7 281.3 646 198 B I T > S+ 0 0 0 -2,-0.5 3,-1.9 1,-0.3 4,-0.2 0.828 91.2 72.2 -66.6 -28.5 -35.2 55.9 280.9 647 199 B T T >> S+ 0 0 4 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.559 78.5 78.5 -62.2 -11.2 -32.4 56.0 283.5 648 200 B D H <> S+ 0 0 48 -3,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.702 74.4 74.6 -73.0 -18.8 -35.0 56.9 286.1 649 201 B I H <> S+ 0 0 0 -3,-1.9 4,-3.7 1,-0.2 5,-0.2 0.809 86.8 64.1 -65.0 -25.6 -36.2 53.3 286.4 650 202 B I H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.979 105.6 41.1 -60.6 -58.1 -33.0 52.6 288.4 651 203 B A H X S+ 0 0 36 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.861 116.2 53.9 -57.0 -35.6 -34.0 54.8 291.3 652 204 B L H X S+ 0 0 33 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.977 108.3 46.2 -63.2 -54.8 -37.6 53.4 290.8 653 205 B A H <>S+ 0 0 0 -4,-3.7 5,-1.8 1,-0.2 -2,-0.2 0.916 111.9 54.3 -53.3 -43.0 -36.5 49.8 291.1 654 206 B Y H ><5S+ 0 0 82 -4,-2.7 3,-2.3 -5,-0.2 -1,-0.2 0.947 106.7 48.3 -58.4 -50.5 -34.4 50.8 294.1 655 207 B Q H 3<5S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 104.7 61.5 -59.2 -34.3 -37.3 52.3 296.0 656 208 B E T 3<5S- 0 0 50 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.473 120.1-113.6 -72.2 2.1 -39.3 49.2 295.2 657 209 B G T < 5S+ 0 0 67 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.428 73.1 139.5 79.8 -4.4 -36.7 47.3 297.2 658 210 B R < - 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