==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-07 2OI6 . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.R.OLSEN,M.W.VETTING,S.L.RODERICK . 902 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 242 26.8 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 . 1 0.1 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 . 103 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 13.6 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 0 0 2 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 13 4 2 1 1 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 0 128 0, 0.0 2,-0.2 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 136.8 -39.7 42.2 131.4 2 5 A A - 0 0 52 91,-0.4 93,-3.2 43,-0.0 2,-0.3 -0.489 360.0-177.8 -73.7 142.3 -38.6 39.7 134.1 3 6 A M E -a 95 0A 3 41,-0.4 43,-2.8 91,-0.3 2,-0.3 -0.990 17.1-171.5-148.2 135.8 -34.9 39.0 134.5 4 7 A S E -a 96 0A 0 91,-3.1 93,-2.4 -2,-0.3 2,-0.4 -0.880 18.5-136.6-120.2 160.0 -32.5 36.8 136.5 5 8 A V E -ab 97 48A 0 42,-2.6 44,-3.2 -2,-0.3 2,-0.4 -0.908 6.9-159.3-120.3 141.8 -28.8 36.9 136.6 6 9 A V E -ab 98 49A 0 91,-2.9 93,-2.5 -2,-0.4 2,-0.5 -0.985 8.1-160.7-117.3 131.1 -26.2 34.1 136.6 7 10 A I E -ab 99 50A 0 42,-3.5 44,-2.6 -2,-0.4 2,-0.6 -0.939 7.9-149.6-115.2 113.4 -22.7 34.8 137.9 8 11 A L E +ab 100 51A 18 91,-2.6 93,-2.9 -2,-0.5 94,-0.3 -0.721 37.4 146.0 -82.4 120.5 -19.9 32.4 136.9 9 12 A A + 0 0 20 42,-2.1 44,-0.4 -2,-0.6 14,-0.2 -0.002 36.3 102.4-142.6 32.1 -17.4 32.2 139.7 10 13 A A + 0 0 9 42,-0.3 42,-0.1 43,-0.1 66,-0.1 0.437 49.8 110.9-100.1 -1.4 -16.2 28.6 139.5 11 14 A G S S- 0 0 60 1,-0.1 2,-0.4 42,-0.1 42,-0.1 -0.363 75.4-105.1 -70.8 154.1 -12.8 29.2 137.8 12 15 A K - 0 0 85 1,-0.1 2,-1.1 -2,-0.1 3,-0.2 -0.720 18.2-149.1 -86.8 128.6 -9.6 28.6 139.8 13 16 A G > + 0 0 26 -2,-0.4 3,-1.2 1,-0.2 5,-0.3 -0.507 35.5 155.8 -92.0 63.0 -7.7 31.8 140.9 14 17 A T G > + 0 0 103 -2,-1.1 3,-1.4 1,-0.2 -1,-0.2 0.878 63.8 57.0 -58.1 -45.9 -4.2 30.3 140.8 15 18 A R G 3 S+ 0 0 142 1,-0.2 211,-0.5 -3,-0.2 -1,-0.2 0.289 91.1 75.5 -73.8 13.5 -2.1 33.5 140.3 16 19 A M G < S- 0 0 2 -3,-1.2 -1,-0.2 209,-0.2 -2,-0.2 0.724 84.4-149.4 -93.0 -22.6 -3.5 35.0 143.5 17 20 A Y < + 0 0 192 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.1 0.948 49.5 135.7 50.8 56.0 -1.4 32.8 145.8 18 21 A S - 0 0 43 -5,-0.3 -1,-0.2 -4,-0.1 4,-0.1 -0.915 64.6-147.3-134.3 154.6 -4.2 32.8 148.4 19 22 A D S S+ 0 0 170 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.349 89.0 82.2 -95.0 1.9 -6.0 30.5 150.8 20 23 A L S S- 0 0 66 -4,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.912 97.8-102.8-106.9 129.4 -9.0 32.7 150.2 21 24 A P > - 0 0 29 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.200 33.9-119.4 -47.9 135.7 -11.2 32.1 147.0 22 25 A K G > S+ 0 0 24 1,-0.3 3,-2.1 2,-0.2 10,-0.3 0.837 109.2 56.6 -45.2 -51.9 -10.3 34.8 144.4 23 26 A V G 3 S+ 0 0 12 1,-0.3 10,-2.5 -14,-0.2 11,-0.4 0.603 100.1 62.0 -63.8 -10.4 -13.8 36.3 144.1 24 27 A L G < S+ 0 0 12 -3,-2.1 -1,-0.3 7,-0.2 -2,-0.2 0.590 76.0 110.9 -89.2 -11.9 -13.8 37.0 147.9 25 28 A H S < S- 0 0 14 -3,-2.1 7,-2.4 -4,-0.4 8,-0.1 -0.396 72.7-116.6 -63.7 137.9 -10.8 39.3 147.7 26 29 A T E -I 31 0B 81 5,-0.2 2,-0.4 6,-0.1 5,-0.3 -0.406 27.4-171.1 -87.1 154.9 -11.9 42.8 148.4 27 30 A L E > S-I 30 0B 0 3,-3.1 3,-1.7 -2,-0.1 8,-0.0 -0.986 85.8 -7.1-137.9 126.9 -12.1 45.9 146.3 28 31 A A T 3 S- 0 0 5 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.875 133.8 -54.0 52.0 39.9 -13.0 49.1 148.2 29 32 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 249,-0.1 -1,-0.3 0.584 121.7 98.0 75.2 8.0 -13.7 47.0 151.3 30 33 A K E < S-I 27 0B 73 -3,-1.7 -3,-3.1 -5,-0.0 -1,-0.2 -0.985 81.7 -99.5-133.9 139.8 -16.1 44.7 149.5 31 34 A A E >> -I 26 0B 14 -2,-0.4 4,-1.9 -5,-0.3 3,-0.5 -0.224 31.6-124.2 -52.3 137.9 -15.7 41.2 148.0 32 35 A M H 3> S+ 0 0 0 -7,-2.4 4,-1.2 -10,-0.3 3,-0.2 0.916 113.1 48.5 -51.2 -46.2 -15.2 41.4 144.3 33 36 A V H 3> S+ 0 0 0 -10,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.820 104.4 59.8 -68.8 -26.6 -18.2 39.0 143.7 34 37 A Q H <> S+ 0 0 30 -3,-0.5 4,-3.1 -11,-0.4 -1,-0.2 0.887 100.2 55.9 -67.1 -38.9 -20.3 41.1 146.1 35 38 A H H X S+ 0 0 19 -4,-1.9 4,-2.1 -3,-0.2 -1,-0.2 0.906 110.8 45.9 -55.2 -40.6 -19.8 44.1 143.7 36 39 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.887 111.5 49.8 -71.1 -40.7 -21.2 41.9 140.9 37 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.928 109.9 52.3 -63.1 -45.7 -24.1 40.7 143.0 38 41 A D H X S+ 0 0 45 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.914 109.1 49.5 -57.7 -43.9 -24.9 44.4 143.9 39 42 A A H X S+ 0 0 7 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.897 110.0 52.0 -61.8 -41.4 -24.9 45.3 140.2 40 43 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.8 0.944 114.5 40.7 -61.7 -46.8 -27.3 42.4 139.5 41 44 A N H ><5S+ 0 0 51 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.900 112.3 55.6 -68.9 -37.5 -29.8 43.4 142.2 42 45 A E H 3<5S+ 0 0 140 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.733 104.7 54.5 -65.2 -24.0 -29.4 47.0 141.3 43 46 A L H 3<5S- 0 0 13 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.720 128.8 -96.3 -81.9 -20.8 -30.4 46.1 137.7 44 47 A G T <<5 + 0 0 49 -3,-0.8 -41,-0.4 -4,-0.8 -3,-0.2 0.537 57.0 177.1 115.5 15.4 -33.6 44.4 138.9 45 48 A A < - 0 0 11 -5,-2.3 -41,-0.2 -6,-0.2 -1,-0.2 -0.262 19.4-162.9 -55.9 126.7 -32.5 40.8 139.1 46 49 A A S S+ 0 0 48 -43,-2.8 2,-0.4 1,-0.3 -42,-0.2 0.946 79.8 12.4 -73.8 -48.8 -35.3 38.5 140.5 47 50 A H - 0 0 101 -44,-0.3 -42,-2.6 -7,-0.0 2,-0.6 -0.964 66.4-150.6-130.1 144.8 -32.9 35.7 141.3 48 51 A V E -bc 5 68A 0 19,-3.1 21,-3.4 -2,-0.4 2,-0.5 -0.956 12.1-160.3-117.1 112.3 -29.1 35.7 141.4 49 52 A H E -bc 6 69A 6 -44,-3.2 -42,-3.5 -2,-0.6 2,-0.6 -0.816 4.9-163.2 -91.5 126.5 -27.6 32.3 140.5 50 53 A L E -bc 7 70A 1 19,-2.6 21,-3.1 -2,-0.5 2,-0.6 -0.942 2.8-157.9-114.5 116.2 -24.0 31.9 141.7 51 54 A V E +bc 8 71A 0 -44,-2.6 -42,-2.1 -2,-0.6 2,-0.3 -0.828 22.2 167.9 -96.9 118.2 -22.0 29.1 140.1 52 55 A Y E - c 0 72A 38 19,-2.4 21,-2.5 -2,-0.6 -42,-0.3 -0.866 30.1-168.5-128.0 162.2 -19.0 27.9 142.3 53 56 A G S S- 0 0 20 1,-0.4 2,-0.3 -44,-0.4 -43,-0.1 0.621 71.9 -7.2-117.5 -35.6 -16.6 25.0 142.3 54 57 A H S S+ 0 0 167 -43,-0.1 -1,-0.4 1,-0.1 5,-0.0 -0.964 102.1 59.1-155.4 173.6 -14.8 25.3 145.7 55 58 A G > + 0 0 14 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 0.685 61.4 149.1 73.4 21.0 -14.4 27.5 148.8 56 59 A G H > + 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 64.7 54.1 -55.3 -41.3 -18.1 27.1 149.2 57 60 A D H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.967 112.8 41.8 -58.4 -54.0 -17.9 27.3 153.0 58 61 A L H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.897 114.5 53.1 -60.7 -40.8 -16.0 30.6 152.9 59 62 A L H X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.945 108.9 48.3 -59.7 -49.1 -18.3 31.9 150.1 60 63 A K H < S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 110.3 53.7 -61.8 -31.6 -21.5 31.1 152.1 61 64 A Q H < S+ 0 0 114 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.896 115.9 37.6 -69.3 -39.0 -19.9 32.9 155.1 62 65 A A H < S+ 0 0 55 -4,-2.0 2,-0.4 -5,-0.1 -2,-0.2 0.858 111.5 60.1 -81.2 -38.7 -19.2 36.0 153.1 63 66 A L < + 0 0 4 -4,-3.1 -1,-0.1 -5,-0.2 5,-0.0 -0.791 46.3 157.1 -98.6 131.9 -22.3 36.2 150.9 64 67 A K + 0 0 153 -2,-0.4 -1,-0.1 3,-0.0 2,-0.1 0.266 16.6 147.4-133.8 10.5 -25.8 36.5 152.5 65 68 A D > - 0 0 40 1,-0.2 3,-1.7 2,-0.1 -17,-0.1 -0.312 46.6-138.0 -56.1 122.7 -28.0 38.0 149.8 66 69 A D T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.807 98.4 54.5 -49.9 -40.6 -31.5 36.5 150.2 67 70 A N T 3 S+ 0 0 41 -22,-0.1 -19,-3.1 2,-0.1 2,-0.5 0.069 79.6 125.4 -88.3 24.8 -32.1 36.0 146.5 68 71 A L E < -c 48 0A 21 -3,-1.7 2,-0.7 -21,-0.2 -19,-0.2 -0.748 42.6-164.4 -86.6 121.9 -28.9 33.9 145.9 69 72 A N E -c 49 0A 50 -21,-3.4 -19,-2.6 -2,-0.5 2,-0.4 -0.919 16.9-141.3-105.6 111.1 -29.3 30.5 144.3 70 73 A W E -c 50 0A 60 -2,-0.7 2,-0.5 -21,-0.2 -19,-0.2 -0.568 20.0-173.3 -76.2 124.5 -26.1 28.4 144.9 71 74 A V E -c 51 0A 6 -21,-3.1 -19,-2.4 -2,-0.4 2,-0.3 -0.970 12.8-143.3-124.6 122.6 -25.2 26.3 141.9 72 75 A L E -c 52 0A 86 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.662 18.1-179.0 -88.8 139.8 -22.4 23.9 142.0 73 76 A Q - 0 0 8 -21,-2.5 9,-0.1 -2,-0.3 -2,-0.0 -0.847 6.3-179.3-130.0 91.7 -20.0 23.2 139.1 74 77 A A S S+ 0 0 74 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.904 72.6 40.3 -61.6 -41.1 -17.7 20.4 140.5 75 78 A E S S- 0 0 125 -3,-0.1 2,-1.6 6,-0.0 -1,-0.1 -0.935 80.8-135.6-114.1 132.2 -15.6 20.2 137.3 76 79 A Q + 0 0 78 -2,-0.4 3,-0.1 1,-0.2 -64,-0.1 -0.618 40.4 155.6 -87.2 83.3 -14.7 23.3 135.3 77 80 A L - 0 0 60 -2,-1.6 116,-3.0 1,-0.3 -1,-0.2 0.190 64.3 -64.7 -95.1 19.6 -15.4 22.1 131.9 78 81 A G > - 0 0 12 114,-0.2 4,-2.5 1,-0.1 -1,-0.3 -0.309 54.1 -77.3 117.9 156.8 -15.9 25.5 130.4 79 82 A T H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 115,-0.2 0.835 129.4 56.0 -57.0 -32.5 -18.3 28.5 130.7 80 83 A G H > S+ 0 0 0 113,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.912 108.0 47.0 -65.7 -42.8 -20.8 26.6 128.6 81 84 A H H > S+ 0 0 22 112,-0.9 4,-1.4 -3,-0.2 -2,-0.2 0.904 109.9 53.5 -64.7 -45.6 -20.7 23.7 131.1 82 85 A A H >X S+ 0 0 4 -4,-2.5 4,-1.1 111,-0.3 3,-0.6 0.938 108.5 49.7 -57.4 -45.7 -21.1 26.1 134.1 83 86 A M H 3X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.848 104.7 58.9 -63.4 -33.0 -24.2 27.7 132.5 84 87 A Q H 3< S+ 0 0 52 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 100.6 57.1 -64.6 -30.5 -25.7 24.2 132.0 85 88 A Q H << S+ 0 0 66 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.877 116.5 33.9 -68.6 -34.8 -25.4 23.6 135.7 86 89 A A H >< S+ 0 0 0 -4,-1.1 3,-1.8 -3,-0.2 4,-0.3 0.715 96.0 87.2 -90.3 -24.1 -27.6 26.7 136.3 87 90 A A G >< S+ 0 0 8 -4,-2.3 3,-2.8 1,-0.3 -1,-0.1 0.829 77.0 65.2 -45.9 -44.8 -29.9 26.5 133.3 88 91 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.799 101.1 53.6 -52.8 -30.5 -32.5 24.1 134.9 89 92 A F G < S+ 0 0 112 -3,-1.8 -2,-0.2 -4,-0.1 2,-0.2 0.508 84.8 106.3 -83.2 -5.0 -33.3 27.0 137.3 90 93 A F S < S- 0 0 5 -3,-2.8 2,-0.3 -4,-0.3 6,-0.1 -0.522 71.7-125.4 -74.2 143.0 -33.9 29.6 134.5 91 94 A A > - 0 0 34 -2,-0.2 3,-1.3 4,-0.1 83,-0.3 -0.699 11.6-131.2 -86.7 140.8 -37.6 30.5 134.0 92 95 A D T 3 S+ 0 0 99 -2,-0.3 83,-0.9 1,-0.3 84,-0.2 0.775 105.3 46.4 -61.4 -26.9 -38.9 30.1 130.4 93 96 A D T 3 S+ 0 0 124 81,-0.1 -91,-0.4 80,-0.1 2,-0.3 0.051 99.2 81.5-109.0 27.4 -40.4 33.6 130.4 94 97 A E S < S- 0 0 11 -3,-1.3 80,-3.1 -93,-0.1 -91,-0.3 -0.934 76.9-114.0-128.1 153.4 -37.5 35.6 131.9 95 98 A D E -aD 3 173A 5 -93,-3.2 -91,-3.1 -2,-0.3 2,-0.5 -0.578 26.8-147.5 -80.6 148.3 -34.4 37.1 130.5 96 99 A I E -aD 4 172A 1 76,-2.6 76,-1.9 -2,-0.2 2,-0.5 -0.980 9.2-164.1-121.7 122.2 -31.1 35.6 131.8 97 100 A L E -aD 5 171A 0 -93,-2.4 -91,-2.9 -2,-0.5 2,-0.5 -0.908 9.0-149.5-107.5 128.9 -28.0 37.9 132.1 98 101 A M E +aD 6 170A 2 72,-2.8 72,-0.9 -2,-0.5 2,-0.3 -0.884 22.0 168.5-104.6 129.6 -24.6 36.3 132.5 99 102 A L E -a 7 0A 2 -93,-2.5 -91,-2.6 -2,-0.5 2,-0.4 -0.866 31.3-116.8-132.3 163.1 -21.8 38.0 134.4 100 103 A Y E > -a 8 0A 58 -2,-0.3 3,-1.1 -93,-0.2 -91,-0.2 -0.837 12.3-140.1-102.8 139.9 -18.4 37.0 135.8 101 104 A G T 3 S+ 0 0 0 -93,-2.9 -65,-0.2 -2,-0.4 -92,-0.1 0.653 101.9 53.5 -72.3 -14.1 -17.7 37.0 139.5 102 105 A D T 3 S+ 0 0 30 -94,-0.3 121,-2.1 1,-0.1 -1,-0.2 -0.044 87.2 81.7-110.6 29.5 -14.2 38.4 138.9 103 106 A V X + 0 0 7 -3,-1.1 3,-1.0 119,-0.2 -3,-0.2 -0.694 55.6 169.2-131.6 74.7 -15.2 41.6 136.8 104 107 A P T 3 + 0 0 5 0, 0.0 -65,-0.1 0, 0.0 -1,-0.1 0.658 60.2 61.5 -65.8 -21.5 -16.2 43.9 139.7 105 108 A L T 3 + 0 0 17 116,-0.4 115,-0.1 113,-0.4 114,-0.1 0.405 62.7 134.6 -95.4 5.1 -16.6 47.2 137.9 106 109 A I < - 0 0 10 -3,-1.0 2,-0.3 115,-0.1 114,-0.1 -0.234 51.5-134.3 -52.2 126.3 -19.4 46.4 135.5 107 110 A S > - 0 0 21 1,-0.1 4,-2.1 -68,-0.0 3,-0.5 -0.697 9.4-135.8 -93.1 142.4 -21.9 49.3 135.7 108 111 A V H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.860 105.9 61.9 -58.5 -33.2 -25.6 48.9 135.9 109 112 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 105.9 44.0 -61.7 -42.4 -26.0 51.7 133.3 110 113 A T H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.897 113.0 51.8 -68.0 -41.0 -24.1 49.6 130.7 111 114 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.892 109.5 51.1 -62.9 -36.3 -26.1 46.4 131.7 112 115 A Q H X S+ 0 0 73 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.908 108.7 49.6 -66.0 -45.2 -29.3 48.4 131.2 113 116 A R H X S+ 0 0 82 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.910 111.5 50.8 -58.2 -40.3 -28.2 49.5 127.8 114 117 A L H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.906 108.4 51.8 -64.0 -43.8 -27.5 45.8 127.0 115 118 A R H < S+ 0 0 39 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.908 109.7 49.4 -59.0 -41.9 -30.9 44.8 128.2 116 119 A D H < S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.778 108.4 53.2 -70.5 -24.5 -32.5 47.4 125.9 117 120 A A H < S+ 0 0 27 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.715 81.5 106.9 -82.0 -20.1 -30.6 46.3 122.9 118 121 A K < - 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0 0 14 -3,-1.7 2,-0.3 -4,-0.3 9,-0.1 -0.362 35.7-174.6 -66.5 136.9 -23.1 22.3 123.2 185 188 A T - 0 0 76 9,-0.1 9,-0.5 -2,-0.1 7,-0.1 -0.887 26.6-136.4-125.7 157.9 -20.3 20.0 122.2 186 189 A N + 0 0 61 -2,-0.3 2,-1.5 7,-0.1 7,-0.1 -0.037 59.9 125.5-106.4 33.4 -16.6 20.1 123.3 187 190 A N + 0 0 139 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.567 49.5 94.5 -90.9 78.0 -15.0 19.5 119.9 188 191 A N S > S- 0 0 34 -2,-1.5 3,-1.1 4,-0.0 -2,-0.0 -0.886 92.2 -71.0-152.4-179.6 -12.7 22.5 119.8 189 192 A A T 3 S+ 0 0 64 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 0.744 128.6 33.8 -53.3 -34.3 -9.2 23.6 120.7 190 193 A Q T 3 S- 0 0 87 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.495 99.5-126.8-102.9 -4.9 -9.5 23.4 124.4 191 194 A G < + 0 0 37 -3,-1.1 2,-0.2 1,-0.2 -5,-0.1 0.828 69.5 121.0 63.3 33.4 -11.9 20.5 124.6 192 195 A E S S- 0 0 67 -7,-0.1 2,-0.7 -111,-0.0 -114,-0.2 -0.682 73.1 -97.8-120.3 172.8 -14.3 22.5 126.8 193 196 A Y - 0 0 61 -116,-3.0 -113,-3.0 -2,-0.2 -112,-0.9 -0.866 38.8-149.9 -98.3 110.4 -18.0 23.6 126.5 194 197 A Y > - 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0 0 51 -3,-1.5 -22,-0.0 -4,-0.3 -3,-0.0 -0.412 51.7-169.6 -63.1 129.4 -18.2 60.5 290.4 615 166 B Q + 0 0 66 -2,-0.1 -33,-2.2 -25,-0.1 2,-0.6 0.531 58.6 95.6-101.4 -5.3 -16.3 58.7 287.7 616 167 B E E - N 0 581E 31 -35,-0.2 -25,-2.3 -25,-0.2 2,-0.3 -0.757 63.1-171.5 -86.3 120.1 -18.5 55.6 287.6 617 168 B I E -QN 590 580E 2 -37,-3.5 -37,-1.5 -2,-0.6 2,-0.5 -0.750 30.3-107.0-118.4 162.0 -20.9 56.1 284.8 618 169 B N E - N 0 579E 10 -29,-2.5 -29,-0.4 -2,-0.3 -39,-0.2 -0.742 19.8-161.4 -82.4 126.9 -23.9 54.6 283.3 619 170 B T E - 0 0 5 -41,-1.9 -1,-0.1 -2,-0.5 -40,-0.1 0.625 42.9-116.8 -82.1 -14.8 -23.0 52.9 279.9 620 171 B G E S+ 0 0 3 -42,-0.4 2,-0.4 1,-0.3 -41,-0.1 0.081 80.2 115.7 99.6 -18.2 -26.7 53.1 279.1 621 172 B I E + 0 0 1 -43,-0.4 -43,-2.3 51,-0.1 -1,-0.3 -0.692 33.4 144.7 -94.0 132.1 -27.1 49.3 278.9 622 173 B L E -MN 550 577E 1 -72,-1.2 -72,-3.0 -2,-0.4 2,-0.3 -0.965 28.0-149.8-154.2 168.1 -29.4 47.5 281.4 623 174 B I E +MN 549 576E 0 -47,-1.9 -47,-2.3 -2,-0.3 2,-0.3 -0.999 20.5 153.5-147.3 146.2 -31.7 44.5 281.7 624 175 B A E -MN 548 575E 0 -76,-2.0 -76,-3.8 -2,-0.3 -49,-0.1 -0.979 48.6 -71.1-161.9 167.2 -34.8 43.7 283.7 625 176 B N E > -M 547 0E 22 -51,-0.5 4,-2.9 -2,-0.3 -78,-0.2 -0.409 43.2-125.6 -63.3 141.8 -38.0 41.6 283.8 626 177 B G H > S+ 0 0 0 -80,-3.0 4,-2.7 -83,-0.3 -82,-0.2 0.897 107.8 49.9 -56.6 -44.7 -40.7 42.8 281.4 627 178 B A H > S+ 0 0 29 -83,-0.9 4,-2.1 -84,-0.2 -1,-0.2 0.940 113.9 45.2 -63.6 -47.1 -43.4 43.2 284.0 628 179 B D H > S+ 0 0 14 -84,-0.2 4,-2.4 2,-0.2 5,-0.3 0.957 111.7 53.2 -59.9 -47.9 -41.2 45.2 286.3 629 180 B M H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.927 108.3 50.3 -52.0 -49.6 -39.9 47.3 283.4 630 181 B K H X S+ 0 0 67 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.912 110.0 51.2 -57.2 -43.0 -43.5 48.2 282.4 631 182 B R H < S+ 0 0 98 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.890 112.4 44.2 -62.8 -43.1 -44.3 49.2 286.1 632 183 B W H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.2 0.854 107.4 59.4 -70.2 -34.2 -41.4 51.5 286.4 633 184 B L H >< S+ 0 0 5 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.874 100.8 56.3 -61.0 -35.8 -42.0 53.1 283.0 634 185 B A T 3< S+ 0 0 87 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 102.8 57.0 -74.3 -11.6 -45.4 54.2 284.1 635 186 B K T < S+ 0 0 108 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.425 79.0 119.6 -97.6 -0.3 -43.9 56.0 287.0 636 187 B L < - 0 0 14 -3,-1.4 2,-0.3 -4,-0.2 9,-0.1 -0.430 37.7-177.7 -70.8 139.9 -41.5 58.3 284.9 637 188 B T - 0 0 86 -2,-0.1 9,-0.5 9,-0.1 7,-0.1 -0.900 29.2-131.2-130.3 159.8 -42.0 62.1 285.2 638 189 B N + 0 0 72 -2,-0.3 2,-1.7 7,-0.1 5,-0.1 -0.078 59.1 130.0-106.3 34.4 -40.0 64.9 283.3 639 190 B N + 0 0 151 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.572 48.3 97.2 -89.1 76.0 -39.2 67.1 286.3 640 191 B N S > S- 0 0 31 -2,-1.7 3,-0.9 4,-0.0 -2,-0.0 -0.858 93.0 -75.4-149.9 179.8 -35.5 67.5 285.5 641 192 B A T 3 S+ 0 0 66 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.636 128.4 37.8 -59.8 -19.7 -33.0 69.8 283.8 642 193 B Q T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.571 99.5-124.4-111.8 -8.0 -34.1 68.7 280.3 643 194 B G S < S+ 0 0 37 -3,-0.9 2,-0.2 1,-0.2 -5,-0.1 0.765 70.8 128.6 67.7 26.4 -37.9 68.3 280.7 644 195 B E S S- 0 0 69 -7,-0.1 2,-0.9 -112,-0.0 -1,-0.2 -0.636 70.1-111.0-111.9 165.5 -37.4 64.7 279.4 645 196 B Y - 0 0 67 -116,-2.5 -113,-2.5 -2,-0.2 -112,-1.0 -0.873 37.5-155.0 -96.0 106.3 -38.5 61.3 280.5 646 197 B Y > - 0 0 9 -2,-0.9 3,-1.5 -9,-0.5 4,-0.2 -0.707 15.4-155.8 -82.8 122.7 -35.1 59.6 281.5 647 198 B I T > S+ 0 0 0 -2,-0.5 3,-2.0 1,-0.2 4,-0.2 0.804 92.6 73.8 -64.2 -25.0 -35.1 55.8 281.4 648 199 B T T >> S+ 0 0 4 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.616 76.4 76.0 -64.6 -14.8 -32.3 56.2 283.9 649 200 B D H <> S+ 0 0 49 -3,-1.5 4,-1.7 1,-0.2 -1,-0.3 0.685 76.9 76.7 -71.7 -15.8 -34.8 57.1 286.6 650 201 B I H <> S+ 0 0 0 -3,-2.0 4,-3.0 1,-0.2 5,-0.3 0.809 84.5 63.4 -67.4 -24.2 -35.9 53.4 286.9 651 202 B I H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.2 -1,-0.2 0.989 107.6 40.2 -61.1 -56.2 -32.8 52.6 288.9 652 203 B A H X S+ 0 0 38 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.830 115.3 54.0 -61.0 -32.9 -33.9 54.9 291.8 653 204 B L H X S+ 0 0 37 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.907 110.2 45.6 -68.4 -40.5 -37.5 53.6 291.3 654 205 B A H ><>S+ 0 0 0 -4,-3.0 5,-2.3 1,-0.2 3,-0.5 0.926 110.7 54.1 -66.9 -41.5 -36.4 50.0 291.7 655 206 B Y H ><5S+ 0 0 70 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.887 105.2 54.3 -59.1 -36.8 -34.2 50.9 294.6 656 207 B Q H 3<5S+ 0 0 143 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 102.5 55.8 -69.4 -30.4 -37.3 52.5 296.3 657 208 B E T <<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.409 123.2-106.8 -80.1 5.3 -39.3 49.4 296.0 658 209 B G T < 5S+ 0 0 69 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.727 74.8 142.6 75.2 20.5 -36.5 47.5 297.8 659 210 B R < - 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