==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-01 1H5R . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.ROSANO,S.ZUCCOTTI,M.BOLOGNESI . 1160 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 826 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 9.9 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 77 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 6 4 1 6 10 6 7 2 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 7 6 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 . 4 5 5 4 4 3 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 . 8 0 0 0 0 0 0 3 1 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 2 A K 0 0 256 0, 0.0 49,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 18.3 56.1 -7.3 25.9 2 3 A M - 0 0 69 1,-0.1 2,-0.1 47,-0.1 46,-0.1 -0.321 360.0-114.6 -69.4 143.7 54.3 -6.8 29.2 3 4 A R E -a 48 0A 133 44,-0.6 47,-2.4 1,-0.1 46,-1.3 -0.493 38.0-132.9 -70.4 151.2 54.8 -3.6 31.2 4 5 A K E +a 50 0A 36 99,-0.4 101,-1.4 44,-0.2 2,-0.3 -0.756 30.1 161.5-115.0 150.6 56.4 -4.2 34.6 5 6 A G E -ab 51 105A 0 45,-1.9 47,-2.3 -2,-0.3 2,-0.4 -0.981 24.5-135.1-157.9 164.3 55.8 -3.2 38.1 6 7 A I E -ab 52 106A 0 99,-2.5 101,-2.6 -2,-0.3 2,-0.6 -0.974 4.6-154.9-122.6 140.9 56.7 -4.1 41.7 7 8 A I E -ab 53 107A 0 45,-2.6 47,-2.5 -2,-0.4 2,-0.9 -0.957 13.2-152.6-110.8 123.8 54.4 -4.4 44.8 8 9 A L E +ab 54 108A 14 99,-2.1 101,-3.0 -2,-0.6 102,-0.3 -0.830 27.5 162.1-103.9 106.6 56.4 -3.9 47.9 9 10 A A + 0 0 0 45,-3.3 47,-0.4 -2,-0.9 17,-0.2 -0.304 35.6 98.3-124.0 45.7 54.4 -5.8 50.5 10 11 A G + 0 0 16 45,-0.2 16,-0.1 15,-0.1 15,-0.1 0.114 27.7 119.7-111.7-145.4 56.9 -6.3 53.3 11 12 A G S S- 0 0 31 71,-0.1 45,-0.2 1,-0.1 14,-0.2 0.110 70.5 -88.7 98.6 156.2 57.6 -4.6 56.6 12 13 A S - 0 0 88 73,-0.1 13,-0.1 1,-0.1 -1,-0.1 0.972 39.9-147.4 -64.9 -56.2 57.5 -5.9 60.2 13 14 A G > + 0 0 19 11,-0.1 3,-1.5 12,-0.0 7,-0.3 0.445 52.5 136.1 95.6 6.2 53.9 -5.2 60.8 14 15 A T G > + 0 0 76 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.734 56.7 67.8 -60.1 -27.7 54.7 -4.5 64.5 15 16 A R G 3 S+ 0 0 156 1,-0.3 555,-0.4 554,-0.1 -1,-0.3 0.856 104.6 44.9 -64.1 -28.5 52.5 -1.3 64.7 16 17 A L G X> S+ 0 0 4 -3,-1.5 3,-1.7 212,-0.1 4,-0.6 0.220 93.6 178.3 -96.9 5.9 49.4 -3.5 64.3 17 18 A Y T <4 + 0 0 32 -3,-1.5 554,-0.3 1,-0.3 555,-0.1 -0.292 61.1 20.8 -49.1 140.1 50.4 -6.3 66.8 18 19 A P T >> S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.970 118.8 61.6 -97.0 9.9 48.7 -8.7 67.5 19 20 A V T <4 S+ 0 0 1 -3,-1.7 3,-0.4 304,-0.3 -2,-0.2 0.907 112.8 42.3 -59.0 -38.6 46.5 -8.4 64.3 20 21 A T T 3< S+ 0 0 22 -4,-0.6 -1,-0.3 -7,-0.3 5,-0.2 0.358 89.4 91.3 -89.1 2.2 49.7 -9.0 62.3 21 22 A M T <4 S+ 0 0 108 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 0.924 108.4 12.7 -61.1 -44.6 51.2 -11.7 64.5 22 23 A A S < S+ 0 0 18 -4,-0.6 2,-0.4 -3,-0.4 -1,-0.2 0.246 127.0 61.8-115.2 11.1 49.6 -14.6 62.5 23 24 A V S S- 0 0 10 -4,-0.2 -1,-0.1 -5,-0.1 5,-0.1 -0.955 80.9-120.6-142.1 129.1 48.5 -12.6 59.4 24 25 A S >> - 0 0 6 -2,-0.4 3,-2.1 1,-0.1 4,-0.7 -0.336 27.0-129.9 -64.4 135.5 50.4 -10.6 56.9 25 26 A K G >4 S+ 0 0 31 1,-0.3 3,-1.5 2,-0.2 10,-0.2 0.897 106.7 55.6 -54.9 -43.9 49.2 -7.1 57.0 26 27 A Q G 34 S+ 0 0 13 1,-0.3 10,-2.3 -17,-0.2 -1,-0.3 0.405 103.6 55.7 -77.9 8.7 48.7 -7.0 53.1 27 28 A L G <4 S+ 0 0 7 -3,-2.1 -1,-0.3 8,-0.2 -2,-0.2 0.464 82.2 111.8-107.8 -8.6 46.4 -10.0 53.3 28 29 A L S << S- 0 0 1 -3,-1.5 7,-2.5 -4,-0.7 2,-0.1 -0.333 77.9 -99.8 -61.6 146.6 44.1 -8.3 55.8 29 30 A P E -I 34 0B 27 0, 0.0 2,-0.6 0, 0.0 207,-0.1 -0.411 23.3-163.0 -71.5 144.0 40.7 -7.5 54.4 30 31 A I E > S-I 33 0B 0 3,-2.8 2,-0.9 -2,-0.1 3,-0.9 -0.933 74.9 -60.3-120.7 98.1 39.6 -4.1 53.2 31 32 A Y T 3 S+ 0 0 21 -2,-0.6 205,-0.1 1,-0.2 206,-0.1 -0.485 126.9 0.2 59.3 -93.9 35.9 -4.7 53.2 32 33 A D T 3 S+ 0 0 0 -2,-0.9 278,-0.3 204,-0.1 -1,-0.2 0.214 126.0 38.1-115.2 16.6 35.4 -7.6 50.8 33 34 A K E < S-I 30 0B 0 -3,-0.9 -3,-2.8 276,-0.1 277,-0.1 -0.978 89.9 -79.5-162.3 153.4 38.9 -8.6 49.5 34 35 A P E > -I 29 0B 0 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.307 45.0-114.4 -56.7 148.6 42.5 -8.9 50.7 35 36 A M T > S+ 0 0 0 -7,-2.5 3,-2.1 1,-0.3 -8,-0.2 0.873 111.5 62.4 -55.4 -39.7 44.4 -5.6 51.0 36 37 A I T 3> S+ 0 0 0 -10,-2.3 4,-2.1 1,-0.3 -1,-0.3 0.731 86.3 74.7 -67.1 -15.8 46.9 -6.5 48.3 37 38 A Y H <> S+ 0 0 6 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.802 91.7 59.4 -61.2 -28.0 44.1 -6.7 45.7 38 39 A Y H <> S+ 0 0 0 -3,-2.1 4,-2.4 -4,-0.4 -2,-0.2 0.987 109.8 34.9 -71.0 -59.2 44.0 -2.9 45.8 39 40 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.890 117.5 56.6 -66.8 -26.1 47.6 -2.0 44.7 40 41 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.956 108.1 46.5 -66.2 -47.1 47.5 -5.0 42.4 41 42 A S H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.895 108.5 58.2 -55.2 -36.9 44.4 -3.6 40.7 42 43 A T H X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.943 108.2 43.1 -61.2 -47.9 46.1 -0.2 40.6 43 44 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-1.0 0.902 112.6 54.7 -63.0 -43.3 49.0 -1.6 38.5 44 45 A M H ><5S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.936 105.2 52.3 -57.3 -41.3 46.6 -3.5 36.4 45 46 A L H 3<5S+ 0 0 49 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.701 103.2 58.7 -69.8 -17.1 44.7 -0.4 35.6 46 47 A A T <<5S- 0 0 7 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.330 125.3-104.7 -88.0 -0.2 47.9 1.3 34.5 47 48 A G T < 5S+ 0 0 10 -3,-2.1 -44,-0.6 1,-0.3 2,-0.5 0.654 74.1 144.4 84.3 21.1 48.3 -1.5 32.0 48 49 A I E < +a 3 0A 4 -5,-2.4 -1,-0.3 -6,-0.1 -44,-0.2 -0.788 12.8 158.9-100.9 125.5 50.9 -3.4 33.9 49 50 A R E + 0 0 73 -46,-1.3 27,-3.1 -2,-0.5 2,-0.7 0.521 56.2 74.0-121.4 -19.5 50.8 -7.2 33.8 50 51 A D E +ac 4 76A 21 -47,-2.4 -45,-1.9 25,-0.2 2,-0.4 -0.916 68.4 172.7-101.3 106.8 54.3 -8.4 34.7 51 52 A I E -ac 5 77A 0 25,-2.5 27,-2.0 -2,-0.7 2,-0.5 -0.957 27.3-154.0-127.8 138.2 54.5 -7.9 38.4 52 53 A L E -ac 6 78A 4 -47,-2.3 -45,-2.6 -2,-0.4 2,-0.5 -0.921 12.6-154.5-106.7 131.6 57.0 -8.8 41.1 53 54 A I E -ac 7 79A 0 25,-3.2 27,-2.4 -2,-0.5 2,-0.5 -0.874 10.1-168.8-108.8 125.2 55.7 -9.2 44.7 54 55 A I E +ac 8 80A 0 -47,-2.5 -45,-3.3 -2,-0.5 2,-0.2 -0.957 20.3 142.2-115.4 131.9 58.3 -8.6 47.4 55 56 A S E - c 0 81A 0 25,-1.5 27,-3.1 -2,-0.5 -45,-0.2 -0.716 50.2 -61.1-149.5-169.3 57.6 -9.5 51.0 56 57 A T > - 0 0 21 -47,-0.4 4,-2.3 -2,-0.2 -1,-0.1 -0.274 53.5-100.2 -76.2 169.2 59.3 -10.9 54.2 57 58 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 27,-0.0 0.920 124.3 39.5 -58.0 -35.3 60.9 -14.3 54.4 58 59 A Q T 4 S+ 0 0 147 1,-0.1 4,-0.4 2,-0.1 -34,-0.1 0.885 120.6 40.9 -87.0 -32.4 57.8 -15.6 56.2 59 60 A D T >> S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.804 95.8 74.5 -92.5 -22.1 55.0 -13.7 54.3 60 61 A T H 3X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.3 3,-0.5 0.921 94.7 52.7 -56.7 -45.7 56.2 -14.0 50.7 61 62 A P H 3> S+ 0 0 52 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.828 104.5 57.9 -62.8 -31.5 55.2 -17.7 50.4 62 63 A R H <> S+ 0 0 75 -3,-0.8 4,-1.8 -4,-0.4 -2,-0.2 0.879 105.8 47.8 -65.8 -39.4 51.7 -16.8 51.7 63 64 A F H X S+ 0 0 0 -4,-1.5 4,-3.1 -3,-0.5 5,-0.4 0.937 112.1 51.4 -63.3 -39.3 51.2 -14.3 48.8 64 65 A Q H X S+ 0 0 107 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 107.3 52.5 -64.4 -41.5 52.4 -17.0 46.4 65 66 A Q H < S+ 0 0 123 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.896 116.2 40.8 -60.3 -41.6 50.0 -19.5 47.9 66 67 A L H < S+ 0 0 31 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.941 129.0 22.6 -73.5 -44.1 47.1 -17.1 47.3 67 68 A L H >< S- 0 0 2 -4,-3.1 3,-1.2 1,-0.2 5,-0.2 0.626 81.7-171.4-102.3 -23.0 47.9 -15.6 43.9 68 69 A G T 3< - 0 0 28 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.1 -0.194 65.8 -30.6 62.7-140.9 50.1 -18.1 42.1 69 70 A D T 3 S- 0 0 92 7,-0.1 8,-3.4 1,-0.1 -1,-0.2 0.508 81.2-128.0 -94.2 2.5 51.7 -17.2 38.9 70 71 A G S X >S+ 0 0 0 -3,-1.2 5,-2.1 6,-0.2 3,-2.0 0.370 72.3 125.6 71.5 8.1 48.7 -15.0 38.1 71 72 A S G > 5 + 0 0 77 1,-0.3 3,-1.4 3,-0.2 -1,-0.1 0.738 64.2 71.0 -71.7 -16.2 48.0 -16.4 34.7 72 73 A Q G 3 5S+ 0 0 52 1,-0.3 -1,-0.3 -5,-0.2 199,-0.1 0.734 106.0 40.1 -68.7 -22.7 44.5 -17.0 35.8 73 74 A W G < 5S- 0 0 9 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.228 123.7-104.8-104.9 10.4 44.2 -13.2 35.7 74 75 A G T < 5S+ 0 0 13 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.742 87.2 113.5 72.3 25.9 46.2 -12.8 32.5 75 76 A L < - 0 0 7 -5,-2.1 2,-0.5 -73,-0.0 -1,-0.3 -0.662 66.5-128.6-117.0 175.3 49.1 -11.6 34.4 76 77 A N E -c 50 0A 67 -27,-3.1 -25,-2.5 -2,-0.2 2,-0.4 -0.965 30.1-172.6-125.5 106.7 52.6 -12.9 35.1 77 78 A L E +c 51 0A 7 -8,-3.4 2,-0.3 -2,-0.5 -25,-0.2 -0.877 7.4 173.4-101.8 138.6 53.4 -12.8 38.9 78 79 A Q E -c 52 0A 63 -27,-2.0 -25,-3.2 -2,-0.4 2,-0.3 -0.929 16.4-140.2-133.0 170.6 56.8 -13.6 40.4 79 80 A Y E +c 53 0A 32 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.934 16.7 175.8-135.4 149.6 58.0 -13.3 44.0 80 81 A K E -c 54 0A 107 -27,-2.4 -25,-1.5 -2,-0.3 2,-0.4 -0.998 25.7-122.9-154.0 145.7 61.1 -12.3 45.9 81 82 A V E -c 55 0A 59 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.732 6.3-154.3 -91.3 135.5 62.1 -11.9 49.5 82 83 A Q - 0 0 11 -27,-3.1 -71,-0.1 -2,-0.4 -22,-0.1 -0.951 13.6-155.2 -98.3 111.9 63.3 -8.8 51.2 83 84 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 0.864 75.1 6.9 -54.3 -43.6 65.4 -10.1 54.2 84 85 A S S S- 0 0 51 -3,-0.1 2,-2.3 -28,-0.1 3,-0.0 -0.985 81.6-109.9-144.7 143.9 65.0 -7.0 56.3 85 86 A P + 0 0 64 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 -0.509 56.7 151.6 -80.3 77.0 62.9 -3.8 55.7 86 87 A D - 0 0 68 -2,-2.3 111,-2.3 1,-0.3 2,-0.1 0.203 62.2 -42.0 -97.3 9.2 65.9 -1.7 55.1 87 88 A G > - 0 0 4 109,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.289 46.3-102.2 138.7 143.4 64.1 0.8 52.8 88 89 A L T > S+ 0 0 46 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.856 115.1 61.2 -54.9 -40.1 61.7 1.3 49.9 89 90 A A T >> S+ 0 0 0 108,-1.9 3,-1.4 1,-0.3 4,-0.7 0.718 85.8 76.4 -64.2 -18.6 64.5 1.9 47.4 90 91 A Q H X> S+ 0 0 40 -3,-1.4 4,-3.0 107,-0.5 3,-0.5 0.789 76.0 77.2 -64.5 -17.8 65.7 -1.6 48.1 91 92 A A H <> S+ 0 0 0 -3,-1.9 4,-2.4 -4,-0.3 -1,-0.3 0.889 94.2 49.6 -54.4 -42.5 62.8 -2.8 46.0 92 93 A F H <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.770 110.6 48.9 -72.2 -23.8 64.8 -1.8 42.9 93 94 A I H X< S+ 0 0 55 -4,-0.7 3,-1.3 -3,-0.5 4,-0.3 0.949 115.7 42.3 -78.7 -47.8 68.0 -3.7 44.1 94 95 A I H 3< S+ 0 0 30 -4,-3.0 3,-0.4 1,-0.3 4,-0.3 0.899 119.2 47.2 -63.8 -36.6 66.1 -6.9 44.9 95 96 A G T 3X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.4 5,-0.3 0.406 78.4 110.3 -88.6 11.2 64.2 -6.4 41.6 96 97 A E H <> S+ 0 0 75 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.890 81.9 42.5 -51.8 -49.3 67.2 -5.7 39.5 97 98 A E H 4 S+ 0 0 181 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.917 114.4 52.1 -65.7 -41.5 67.1 -8.9 37.5 98 99 A F H 4 S+ 0 0 25 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.3 47.1 -63.5 -34.3 63.3 -8.7 37.2 99 100 A I H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.2 -1,-0.2 0.876 78.6 166.2 -76.9 -36.7 63.5 -5.2 35.8 100 101 A G T 3< S- 0 0 43 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.392 72.8 -26.3 55.0-133.4 66.3 -5.8 33.3 101 102 A G T 3 S+ 0 0 61 -4,-0.1 -1,-0.2 -2,-0.1 79,-0.2 0.284 113.4 105.4 -93.4 9.3 66.5 -2.9 30.9 102 103 A D S < S- 0 0 80 -3,-2.1 2,-0.1 1,-0.1 -99,-0.0 -0.329 75.8 -99.2 -96.4 169.9 62.8 -1.9 31.2 103 104 A D - 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0 0 95 -2,-0.3 4,-2.0 -3,-0.1 3,-0.2 -0.442 34.9 -89.8-102.1-177.1 38.0 -13.6 28.2 265 266 A V H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 124.5 53.7 -58.7 -45.0 34.4 -14.5 29.2 266 267 A E H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 110.1 47.8 -54.6 -45.9 35.3 -18.2 29.4 267 268 A Q H > S+ 0 0 45 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.848 107.9 53.9 -64.9 -38.2 38.1 -17.5 31.9 268 269 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.948 107.6 52.2 -62.2 -45.7 36.0 -15.2 34.1 269 270 A R H X S+ 0 0 83 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.869 108.4 50.1 -59.6 -40.8 33.4 -17.9 34.4 270 271 A K H >< S+ 0 0 122 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.916 110.2 50.0 -58.5 -48.7 36.1 -20.4 35.5 271 272 A L H 3< S+ 0 0 21 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.832 106.7 58.4 -60.7 -29.5 37.4 -17.9 38.1 272 273 A A H >X S+ 0 0 0 -4,-1.9 3,-1.0 -5,-0.2 4,-0.8 0.843 86.9 78.0 -75.3 -21.1 33.9 -17.5 39.3 273 274 A V G X< S+ 0 0 96 -4,-1.1 3,-1.5 -3,-0.6 4,-0.3 0.903 94.3 43.6 -57.6 -53.4 33.3 -21.1 40.2 274 275 A P G 34 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.751 124.2 40.3 -65.9 -13.3 35.2 -21.3 43.5 275 276 A L G X4 S+ 0 0 8 -3,-1.0 3,-1.8 -4,-0.5 6,-1.3 0.352 84.4 104.3-112.2 -1.8 33.6 -18.0 44.5 276 277 A I T << + 0 0 55 -3,-1.5 -1,-0.2 -4,-0.8 -3,-0.1 0.709 65.8 69.7 -62.4 -18.5 30.2 -18.7 43.1 277 278 A K T 3 S+ 0 0 172 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.405 102.0 44.2 -81.9 -0.1 28.5 -19.3 46.4 278 279 A N S <> S- 0 0 5 -3,-1.8 4,-2.0 29,-0.0 5,-0.2 -0.848 99.5 -87.6-131.8 177.7 28.8 -15.7 47.5 279 280 A N H > S+ 0 0 65 -2,-0.3 4,-3.0 27,-0.2 5,-0.2 0.793 119.4 59.9 -50.2 -32.5 28.2 -12.1 46.2 280 281 A Y H > S+ 0 0 0 28,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.975 109.1 39.3 -71.8 -48.4 31.8 -11.9 44.8 281 282 A G H > S+ 0 0 0 -6,-1.3 4,-3.0 2,-0.2 -5,-0.2 0.884 115.3 54.9 -62.2 -41.2 31.5 -14.9 42.4 282 283 A Q H X S+ 0 0 77 -4,-2.0 4,-3.0 -7,-0.4 5,-0.3 0.955 106.3 51.3 -60.5 -42.1 27.9 -13.8 41.6 283 284 A Y H X S+ 0 0 32 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.940 111.1 48.0 -60.4 -43.4 29.3 -10.4 40.6 284 285 A L H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 3,-0.5 0.975 113.1 48.1 -63.4 -44.3 31.9 -12.0 38.4 285 286 A Y H >< S+ 0 0 79 -4,-3.0 3,-1.8 1,-0.2 4,-0.3 0.928 109.4 52.2 -59.1 -52.7 29.3 -14.2 36.8 286 287 A K H >< S+ 0 0 134 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.773 99.5 64.4 -55.2 -26.3 26.8 -11.4 36.2 287 288 A M H 3< S+ 0 0 25 -4,-1.5 -1,-0.3 -3,-0.5 3,-0.3 0.678 95.3 58.0 -81.2 -9.0 29.3 -9.3 34.5 288 289 A T T << S+ 0 0 22 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.516 115.0 36.4 -92.4 -5.1 29.6 -11.9 31.7 289 290 A K < 0 0 150 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.116 360.0 360.0-123.1 19.9 25.8 -11.5 31.0 290 291 A D 0 0 157 -3,-0.3 -2,-0.2 -4,-0.1 -3,-0.1 0.480 360.0 360.0 118.4 360.0 25.8 -7.7 31.6 291 !* 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 0.0 292 2 B K 0 0 189 0, 0.0 2,-0.3 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 155.5 34.0 -32.6 87.7 293 3 B M - 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0 0 70 73,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.770 44.0-146.8 -74.3 -35.7 34.3 -23.6 55.0 304 14 B G > + 0 0 24 -3,-0.1 3,-2.2 1,-0.1 7,-0.3 0.289 56.8 129.3 86.0 -5.1 34.8 -19.9 54.9 305 15 B T G > + 0 0 41 1,-0.3 3,-1.9 2,-0.2 6,-0.1 0.788 59.6 67.2 -56.8 -35.5 33.0 -19.6 51.5 306 16 B R G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -28,-0.1 -27,-0.2 0.833 108.5 38.5 -56.3 -26.8 30.6 -16.9 52.7 307 17 B L G X> S+ 0 0 4 -3,-2.2 3,-1.4 212,-0.1 4,-1.1 0.236 94.1 174.6-110.7 14.6 33.5 -14.5 53.0 308 18 B Y T <4 + 0 0 51 -3,-1.9 -28,-0.3 1,-0.3 -27,-0.1 -0.391 59.8 22.0 -61.3 150.5 35.6 -15.5 49.9 309 19 B P T >> S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-1.0 -0.984 121.3 58.2 -89.9 6.9 38.1 -14.3 48.8 310 20 B V H X> S+ 0 0 1 -3,-1.4 4,-1.8 -278,-0.3 3,-1.2 0.970 111.6 46.5 -55.8 -45.8 39.0 -12.7 52.2 311 21 B T H 3< S+ 0 0 14 -4,-1.1 -1,-0.3 -7,-0.3 -3,-0.2 0.405 97.7 68.0 -83.5 8.1 38.9 -16.1 53.7 312 22 B M H <4 S+ 0 0 80 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.744 112.9 35.6 -83.6 -24.4 41.0 -17.7 50.9 313 23 B A H << S+ 0 0 19 -3,-1.2 2,-0.3 -4,-1.0 -2,-0.2 0.806 130.3 17.9 -91.4 -38.6 43.8 -15.4 52.4 314 24 B V S < S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.2 5,-0.1 -1.000 82.2-104.5-142.0 140.5 43.0 -15.5 56.1 315 25 B S >> - 0 0 8 -2,-0.3 3,-2.4 1,-0.1 4,-0.6 -0.379 35.5-121.2 -64.7 147.3 41.0 -17.8 58.4 316 26 B K G >4 S+ 0 0 30 1,-0.3 3,-1.3 2,-0.2 10,-0.2 0.831 111.1 54.1 -58.4 -43.3 37.8 -16.1 59.4 317 27 B Q G 34 S+ 0 0 11 1,-0.3 10,-2.4 -17,-0.2 -1,-0.3 0.455 103.8 55.8 -81.0 4.0 38.6 -16.3 63.1 318 28 B L G <4 S+ 0 0 5 -3,-2.4 -1,-0.3 8,-0.2 -2,-0.2 0.438 80.7 113.6-104.9 1.6 42.0 -14.6 62.6 319 29 B L S << S- 0 0 3 -3,-1.3 7,-2.4 -4,-0.6 2,-0.2 -0.365 76.5-103.5 -69.1 147.7 40.4 -11.6 61.0 320 30 B P E -T 325 0E 21 0, 0.0 2,-0.6 0, 0.0 207,-0.1 -0.440 22.2-162.5 -74.5 140.9 40.8 -8.4 63.0 321 31 B I E > S-T 324 0E 0 3,-2.4 2,-1.1 -2,-0.2 3,-1.0 -0.934 74.8 -61.2-114.8 97.5 37.9 -7.0 65.0 322 32 B Y T 3 S+ 0 0 20 -2,-0.6 205,-0.1 1,-0.2 -90,-0.1 -0.458 125.7 1.6 57.5 -97.8 39.4 -3.6 65.4 323 33 B D T 3 S+ 0 0 2 -2,-1.1 -304,-0.3 204,-0.1 -1,-0.2 0.270 125.8 36.2-107.8 8.6 42.7 -4.2 67.4 324 34 B K E < S-T 321 0E 0 -3,-1.0 -3,-2.4 -306,-0.1 5,-0.1 -0.993 91.1 -79.3-159.0 154.4 42.9 -8.0 67.9 325 35 B P E > -T 320 0E 3 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.266 43.7-114.9 -58.2 150.8 42.1 -11.2 66.1 326 36 B M T > S+ 0 0 0 -7,-2.4 3,-2.1 1,-0.3 -8,-0.2 0.862 112.1 62.7 -53.3 -45.6 38.5 -12.4 66.2 327 37 B I T 3> S+ 0 0 0 -10,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.729 86.5 74.1 -63.4 -16.4 39.3 -15.5 68.2 328 38 B Y H <> S+ 0 0 2 -3,-1.8 4,-1.7 -11,-0.2 -1,-0.3 0.852 92.5 59.0 -62.0 -26.7 40.4 -13.3 71.1 329 39 B Y H <> S+ 0 0 1 -3,-2.1 4,-1.9 -4,-0.4 -2,-0.2 0.976 109.3 34.8 -73.5 -56.5 36.8 -12.6 71.8 330 40 B P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.871 115.6 59.6 -63.2 -34.4 35.3 -16.0 72.4 331 41 B L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 106.2 48.2 -54.8 -42.5 38.5 -17.0 74.1 332 42 B S H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.886 105.6 57.3 -68.6 -38.4 37.9 -14.1 76.5 333 43 B T H X S+ 0 0 2 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.920 108.7 46.2 -51.0 -52.9 34.3 -15.2 77.1 334 44 B L H <>S+ 0 0 1 -4,-2.0 5,-2.3 1,-0.2 3,-0.5 0.909 112.2 51.2 -61.2 -43.0 35.5 -18.7 78.2 335 45 B M H ><5S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.916 106.5 53.8 -57.9 -44.1 38.2 -17.1 80.5 336 46 B L H 3<5S+ 0 0 42 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.732 103.9 56.7 -63.8 -27.7 35.6 -14.9 82.0 337 47 B A T 3<5S- 0 0 17 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.329 124.1-107.6 -76.1 -3.7 33.6 -18.0 82.8 338 48 B G T < 5S+ 0 0 41 -3,-2.3 2,-0.6 1,-0.2 -3,-0.2 0.574 72.0 144.3 85.1 21.6 36.7 -19.3 84.7 339 49 B I < + 0 0 5 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.764 14.5 162.6-100.8 115.3 37.6 -21.9 82.0 340 50 B R + 0 0 104 -2,-0.6 27,-2.8 -46,-0.3 2,-0.6 0.410 57.7 72.7-107.0 -12.4 41.4 -22.3 81.7 341 51 B D E + m 0 367D 36 -47,-0.3 -45,-2.8 25,-0.2 2,-0.4 -0.946 66.6 170.2-114.4 110.0 41.7 -25.6 79.8 342 52 B I E -lm 296 368D 0 25,-2.3 27,-2.2 -2,-0.6 2,-0.6 -0.970 28.6-152.5-135.2 130.8 40.5 -25.1 76.2 343 53 B L E -lm 297 369D 6 -47,-2.9 -45,-2.5 -2,-0.4 2,-0.5 -0.891 14.7-153.7-104.0 124.9 40.6 -27.1 73.0 344 54 B I E -lm 298 370D 0 25,-3.3 27,-2.3 -2,-0.6 2,-0.5 -0.854 9.9-166.1 -98.8 122.6 40.7 -25.1 69.8 345 55 B I E +lm 299 371D 0 -47,-2.6 -45,-3.1 -2,-0.5 2,-0.2 -0.945 20.7 148.0-109.9 121.3 39.2 -26.9 66.8 346 56 B S E - 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0 0 6 -81,-2.6 -79,-0.4 -2,-0.3 4,-0.0 -0.952 29.5-133.2-107.4 103.6 20.4 -12.6 77.0 509 219 B G > - 0 0 26 -2,-0.7 3,-2.2 1,-0.1 189,-0.1 -0.052 16.9-106.8 -65.3 161.8 18.8 -9.1 77.3 510 220 B R T 3 S+ 0 0 87 1,-0.3 -1,-0.1 187,-0.1 318,-0.1 0.600 113.5 74.1 -57.1 -15.1 18.8 -6.2 74.7 511 221 B G T 3 S+ 0 0 11 186,-0.1 187,-0.8 185,-0.1 -104,-0.4 0.565 89.1 73.4 -78.1 -7.6 21.3 -4.4 77.0 512 222 B Y S < S- 0 0 2 -3,-2.2 2,-0.4 185,-0.2 -106,-0.2 -0.805 78.0-137.5-101.8 154.7 23.9 -6.9 75.8 513 223 B A E -U 405 0F 1 -108,-3.2 -108,-3.0 -2,-0.3 2,-0.5 -0.903 15.5-175.6-112.9 130.6 25.5 -6.9 72.3 514 224 B W E -U 404 0F 7 -2,-0.4 -110,-0.2 -110,-0.2 2,-0.1 -0.947 29.4-140.8-120.9 99.2 26.0 -10.1 70.4 515 225 B L E -U 403 0F 8 -112,-2.1 -112,-0.6 -2,-0.5 2,-0.5 -0.328 4.2-128.2 -79.1 139.3 27.9 -8.9 67.3 516 226 B D + 0 0 36 6,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.764 29.5 170.4 -83.0 128.7 27.2 -10.4 63.9 517 227 B T + 0 0 6 -2,-0.5 6,-0.1 -116,-0.2 -1,-0.1 0.164 49.0 104.2-118.6 20.2 30.3 -11.6 62.0 518 228 B G S S+ 0 0 25 4,-0.1 2,-0.3 -117,-0.0 -1,-0.1 0.764 78.3 35.2 -68.7 -34.3 28.4 -13.3 59.2 519 229 B T S > S- 0 0 44 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.821 81.6-112.6-117.1 166.5 28.9 -10.8 56.4 520 230 B H H > S+ 0 0 10 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.876 120.0 50.3 -59.4 -43.6 31.7 -8.5 55.3 521 231 B Q H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 109.6 49.1 -64.6 -40.7 29.5 -5.5 56.2 522 232 B S H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.830 107.0 57.3 -67.3 -31.7 28.7 -6.9 59.7 523 233 B L H X S+ 0 0 18 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.934 107.4 47.6 -60.3 -48.4 32.5 -7.5 60.3 524 234 B I H X S+ 0 0 9 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.941 112.0 49.7 -59.9 -39.6 33.1 -3.9 59.7 525 235 B E H X S+ 0 0 26 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.856 108.6 52.1 -68.2 -38.3 30.3 -3.0 62.0 526 236 B A H X S+ 0 0 2 -4,-2.3 4,-2.6 -10,-0.3 -1,-0.2 0.934 111.7 47.9 -63.0 -40.6 31.6 -5.3 64.7 527 237 B S H X S+ 0 0 10 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.914 111.7 48.9 -61.0 -46.1 35.0 -3.6 64.3 528 238 B N H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.874 110.2 52.9 -59.6 -41.1 33.5 -0.1 64.5 529 239 B F H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.952 112.0 43.3 -63.7 -52.6 31.5 -1.1 67.6 530 240 B I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.941 112.7 53.3 -59.5 -43.4 34.5 -2.3 69.5 531 241 B A H X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.915 107.7 51.5 -57.2 -44.6 36.6 0.7 68.4 532 242 B T H X S+ 0 0 21 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.920 112.3 45.3 -62.2 -43.6 34.0 3.1 69.6 533 243 B I H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 6,-0.3 0.966 117.4 43.8 -59.9 -57.6 33.9 1.4 73.0 534 244 B E H X>S+ 0 0 3 -4,-3.0 4,-2.7 1,-0.2 5,-0.6 0.879 113.0 49.1 -61.1 -39.9 37.6 1.2 73.4 535 245 B E H <5S+ 0 0 93 -4,-3.0 187,-0.3 -5,-0.3 -1,-0.2 0.852 113.1 48.9 -74.8 -22.5 38.4 4.7 72.2 536 246 B R H <5S+ 0 0 21 -4,-1.5 186,-1.7 -5,-0.3 187,-0.4 0.953 121.3 33.5 -76.2 -42.9 35.8 6.1 74.5 537 247 B Q H <5S- 0 0 3 -4,-2.4 -2,-0.2 184,-0.3 -3,-0.2 0.732 91.4-133.0 -83.6 -28.9 37.0 4.2 77.6 538 248 B G T <5S+ 0 0 32 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.783 78.4 105.0 74.1 12.7 40.8 4.0 77.0 539 249 B L S - 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