==== 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 1H5S . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.ROSANO,S.ZUCCOTTI,M.BOLOGNESI . 1161 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 825 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 9.8 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 . 7 0.6 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 . 80 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 168 14.5 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 2 4 10 7 5 4 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 4 6 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 6 6 4 4 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 . 8 0 0 0 0 0 0 2 2 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 0 252 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.3 55.7 -6.9 25.9 2 3 A M - 0 0 76 1,-0.1 46,-0.1 47,-0.1 2,-0.1 -0.113 360.0-126.1 -48.2 128.1 54.2 -7.0 29.4 3 4 A R E -a 48 0A 131 44,-0.6 47,-2.3 1,-0.1 46,-0.9 -0.389 29.4-125.9 -71.0 150.4 55.0 -3.9 31.5 4 5 A K E +a 50 0A 35 99,-0.5 101,-1.8 45,-0.2 2,-0.3 -0.733 30.0 164.6-109.6 154.7 56.6 -4.4 34.9 5 6 A G E -ab 51 105A 0 45,-1.8 47,-2.7 -2,-0.3 2,-0.4 -0.995 23.2-135.5-160.0 158.5 55.9 -3.5 38.5 6 7 A I E -ab 52 106A 0 99,-2.8 101,-3.5 -2,-0.3 2,-0.6 -0.925 4.3-159.0-115.8 136.2 56.8 -4.3 42.1 7 8 A I E -ab 53 107A 0 45,-2.7 47,-3.0 -2,-0.4 2,-0.9 -0.955 11.9-157.3-110.1 117.0 54.5 -4.7 45.1 8 9 A L E +ab 54 108A 13 99,-2.0 101,-3.5 -2,-0.6 102,-0.4 -0.816 25.4 160.9-100.8 103.0 56.5 -4.2 48.3 9 10 A A + 0 0 0 45,-3.3 47,-0.4 -2,-0.9 17,-0.2 -0.354 36.1 101.8-121.1 42.8 54.4 -5.9 50.9 10 11 A G + 0 0 15 45,-0.2 16,-0.1 15,-0.1 45,-0.1 0.008 25.9 112.5-103.0-135.8 57.0 -6.4 53.7 11 12 A G S S- 0 0 33 71,-0.2 45,-0.2 1,-0.1 14,-0.2 0.058 74.9 -88.9 80.0 154.5 57.7 -4.7 57.0 12 13 A S - 0 0 91 1,-0.1 13,-0.2 73,-0.1 -1,-0.1 0.951 34.7-148.9 -60.6 -49.6 57.2 -6.1 60.5 13 14 A G > + 0 0 18 11,-0.1 3,-1.8 12,-0.0 7,-0.3 0.545 50.9 141.9 78.3 13.5 53.5 -5.1 61.0 14 15 A T G > + 0 0 87 1,-0.3 3,-1.7 2,-0.2 6,-0.1 0.766 54.7 63.8 -60.7 -30.1 54.6 -4.9 64.6 15 16 A R G 3 S+ 0 0 166 1,-0.3 556,-0.5 555,-0.1 -1,-0.3 0.730 99.5 56.3 -78.6 -6.7 52.6 -1.8 65.5 16 17 A L G X S+ 0 0 5 -3,-1.8 3,-1.9 212,-0.1 -1,-0.3 0.371 91.7 178.4 -98.6 1.3 49.5 -3.8 64.8 17 18 A Y T < + 0 0 34 -3,-1.7 555,-0.4 1,-0.3 556,-0.1 -0.217 58.3 18.5 -43.3 141.8 50.3 -6.6 67.3 18 19 A P T >> S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.967 117.0 63.7 -99.8 9.8 48.7 -8.9 68.0 19 20 A V T <4 S+ 0 0 3 -3,-1.9 3,-0.3 305,-0.3 -2,-0.2 0.840 111.4 43.2 -54.4 -32.5 46.6 -8.8 65.0 20 21 A T T 34 S+ 0 0 22 -7,-0.3 3,-0.3 -4,-0.2 -1,-0.3 0.298 85.4 99.4 -96.8 7.7 49.7 -9.4 62.8 21 22 A M T <4 S+ 0 0 103 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.942 104.1 11.1 -66.1 -37.4 51.0 -12.1 65.1 22 23 A A S < S+ 0 0 8 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.2 0.097 126.0 55.3-129.6 36.0 49.7 -14.8 62.9 23 24 A V S S- 0 0 12 -3,-0.3 2,-0.2 292,-0.1 -1,-0.1 -0.962 81.2-112.1-156.2 140.6 48.6 -13.1 59.7 24 25 A S >> - 0 0 2 -2,-0.3 3,-2.2 1,-0.1 4,-0.7 -0.540 26.5-129.0 -75.3 137.6 50.5 -10.8 57.2 25 26 A K G >4 S+ 0 0 28 1,-0.3 3,-2.3 -2,-0.2 10,-0.3 0.925 108.1 57.3 -46.7 -49.0 49.1 -7.3 57.3 26 27 A Q G 34 S+ 0 0 11 1,-0.3 10,-2.0 -17,-0.2 -1,-0.3 0.429 102.9 54.2 -77.4 1.9 48.7 -7.2 53.6 27 28 A L G <4 S+ 0 0 6 -3,-2.2 -1,-0.3 8,-0.2 -2,-0.2 0.501 82.7 111.1-100.3 -11.1 46.5 -10.3 53.8 28 29 A L S << S- 0 0 1 -3,-2.3 7,-2.6 -4,-0.7 2,-0.2 -0.303 77.8-103.3 -52.3 144.1 44.1 -8.6 56.3 29 30 A P E -J 34 0B 26 0, 0.0 2,-0.5 0, 0.0 207,-0.1 -0.476 22.1-161.0 -70.5 145.9 40.7 -7.8 54.7 30 31 A I E > S-J 33 0B 0 3,-2.8 3,-0.9 -2,-0.2 2,-0.4 -0.945 74.5 -57.2-117.8 105.3 39.6 -4.4 53.6 31 32 A Y T 3 S- 0 0 18 -2,-0.5 205,-0.1 1,-0.2 206,-0.1 -0.507 127.1 -2.4 57.8-105.6 35.9 -5.0 53.5 32 33 A D T 3 S+ 0 0 0 -2,-0.4 279,-0.3 204,-0.1 -1,-0.2 0.139 126.9 37.2-107.2 21.0 35.4 -7.9 51.1 33 34 A K E < S-J 30 0B 0 -3,-0.9 -3,-2.8 277,-0.1 278,-0.1 -0.982 90.2 -79.1-163.4 155.6 38.9 -8.8 49.8 34 35 A P E > -J 29 0B 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.341 42.4-114.5 -58.9 149.0 42.5 -9.0 51.0 35 36 A M T > S+ 0 0 0 -7,-2.6 3,-2.2 -10,-0.3 -8,-0.2 0.851 112.5 60.9 -50.1 -43.7 44.5 -5.7 51.3 36 37 A I T 3> S+ 0 0 0 -10,-2.0 4,-1.8 1,-0.3 -1,-0.3 0.706 87.4 74.6 -67.0 -20.5 47.0 -6.7 48.6 37 38 A Y H <> S+ 0 0 6 -3,-1.6 4,-2.2 -11,-0.2 -1,-0.3 0.851 92.0 59.0 -57.0 -28.5 44.2 -6.9 46.1 38 39 A Y H <> S+ 0 0 1 -3,-2.2 4,-1.8 -4,-0.4 -2,-0.2 0.979 108.6 35.7 -69.2 -59.7 44.1 -3.1 46.1 39 40 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.891 115.9 58.8 -65.2 -26.6 47.6 -2.1 45.0 40 41 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.3 -2,-0.2 0.955 106.1 47.8 -64.8 -43.5 47.5 -5.2 42.7 41 42 A S H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.825 106.9 59.1 -60.4 -39.0 44.5 -3.7 41.0 42 43 A T H X S+ 0 0 3 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.948 107.8 42.6 -58.9 -48.7 46.3 -0.4 40.8 43 44 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-1.3 0.951 113.8 53.1 -64.1 -49.1 49.1 -1.8 38.7 44 45 A M H ><5S+ 0 0 0 -4,-2.6 3,-2.5 1,-0.3 -1,-0.2 0.927 106.2 52.3 -47.5 -47.3 46.7 -3.7 36.6 45 46 A L H 3<5S+ 0 0 50 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.656 105.4 57.5 -68.0 -18.2 44.7 -0.6 35.9 46 47 A A T <<5S- 0 0 8 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.332 124.1-104.0 -88.8 -1.3 48.0 1.0 34.8 47 48 A G T < 5S+ 0 0 13 -3,-2.5 2,-0.6 1,-0.2 -44,-0.6 0.683 76.2 139.9 85.5 22.7 48.5 -1.7 32.2 48 49 A I E < +a 3 0A 4 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.849 13.6 157.5-106.2 117.8 51.1 -3.5 34.2 49 50 A R E + 0 0 70 -46,-0.9 27,-2.5 -2,-0.6 2,-0.8 0.656 53.4 75.0-115.8 -19.8 50.8 -7.3 34.1 50 51 A D E +ac 4 76A 24 -47,-2.3 -45,-1.8 25,-0.2 2,-0.4 -0.854 68.9 178.0 -97.8 107.5 54.3 -8.7 35.0 51 52 A I E -ac 5 77A 0 25,-2.9 27,-2.0 -2,-0.8 2,-0.5 -0.942 28.3-155.4-130.4 135.6 54.6 -8.2 38.7 52 53 A L E -ac 6 78A 1 -47,-2.7 -45,-2.7 -2,-0.4 2,-0.6 -0.908 14.9-155.7-102.5 122.6 57.1 -9.0 41.4 53 54 A I E -ac 7 79A 0 25,-2.8 27,-1.9 -2,-0.5 2,-0.5 -0.890 10.7-165.3-102.5 121.6 55.7 -9.4 45.0 54 55 A I E +ac 8 80A 0 -47,-3.0 -45,-3.3 -2,-0.6 2,-0.2 -0.923 21.8 136.1-109.3 136.2 58.2 -8.7 47.8 55 56 A S E - c 0 81A 0 25,-1.4 27,-3.4 -2,-0.5 -45,-0.2 -0.761 49.6 -57.5-155.0-164.8 57.8 -9.6 51.4 56 57 A T > - 0 0 24 -47,-0.4 4,-2.3 -2,-0.2 -1,-0.1 -0.304 53.3-101.0 -83.9 166.9 59.4 -11.1 54.6 57 58 A P T 4 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 27,-0.0 0.908 124.3 40.4 -53.3 -34.6 60.9 -14.6 54.9 58 59 A Q T 4 S+ 0 0 134 1,-0.1 4,-0.3 2,-0.1 -34,-0.1 0.858 119.7 40.3 -88.8 -33.2 57.7 -15.7 56.7 59 60 A D T >> S+ 0 0 26 1,-0.1 4,-1.5 2,-0.1 3,-1.3 0.808 94.5 75.9 -91.8 -19.0 55.0 -13.9 54.6 60 61 A T H >X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.3 3,-1.0 0.925 93.5 53.0 -59.7 -48.9 56.2 -14.3 51.1 61 62 A P H 3> S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.753 105.0 58.4 -58.5 -18.0 55.2 -18.0 50.8 62 63 A R H <> S+ 0 0 37 -3,-1.3 4,-1.8 -4,-0.3 -2,-0.2 0.886 105.6 47.1 -80.8 -31.9 51.7 -16.9 52.0 63 64 A F H < S- 0 0 2 -4,-2.7 3,-1.5 1,-0.2 5,-0.3 0.703 79.6-170.8-102.0 -25.0 47.9 -15.9 44.1 68 69 A G T 3< - 0 0 32 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.347 69.4 -28.9 67.7-142.5 50.1 -18.5 42.5 69 70 A D T 3 S- 0 0 92 7,-0.1 8,-2.2 1,-0.1 -1,-0.2 0.414 81.5-126.8 -95.0 10.9 51.7 -17.4 39.2 70 71 A G S X >S+ 0 0 0 -3,-1.5 3,-2.5 6,-0.2 5,-1.7 0.349 74.4 124.7 65.3 -1.5 48.7 -15.1 38.5 71 72 A S G > 5 + 0 0 74 1,-0.3 3,-1.7 3,-0.2 -1,-0.1 0.768 63.3 68.6 -62.4 -18.6 48.1 -16.6 35.1 72 73 A Q G 3 5S+ 0 0 55 1,-0.3 -1,-0.3 -5,-0.3 199,-0.1 0.685 105.5 44.3 -72.3 -16.0 44.5 -17.3 36.1 73 74 A W G < 5S- 0 0 8 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.341 124.7-104.3-102.8 6.6 44.3 -13.5 36.1 74 75 A G T < 5S+ 0 0 13 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.788 87.8 111.8 76.6 27.5 46.1 -13.1 32.8 75 76 A L < - 0 0 7 -5,-1.7 2,-0.5 -25,-0.0 -1,-0.3 -0.768 67.9-126.9-122.9 173.5 49.2 -11.9 34.7 76 77 A N E -c 50 0A 65 -27,-2.5 -25,-2.9 -2,-0.2 2,-0.4 -0.925 31.6-177.8-124.7 112.6 52.7 -13.0 35.5 77 78 A L E +c 51 0A 7 -8,-2.2 2,-0.3 -2,-0.5 -25,-0.2 -0.835 5.6 170.0-113.0 130.9 53.5 -13.1 39.2 78 79 A Q E -c 52 0A 58 -27,-2.0 -25,-2.8 -2,-0.4 2,-0.4 -0.922 18.5-135.5-132.8 171.7 56.8 -14.0 40.8 79 80 A Y E +c 53 0A 32 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.944 19.0 172.0-135.7 150.8 58.1 -13.7 44.4 80 81 A K E -c 54 0A 101 -27,-1.9 -25,-1.4 -2,-0.4 2,-0.3 -0.998 26.7-122.2-154.6 151.0 61.2 -12.6 46.3 81 82 A V E -c 55 0A 62 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.690 4.8-152.1-101.0 140.7 62.1 -12.2 50.0 82 83 A Q - 0 0 9 -27,-3.4 -71,-0.2 -2,-0.3 -22,-0.1 -0.930 11.4-156.5-106.8 111.3 63.3 -9.1 51.8 83 84 A P S S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 0.839 75.4 3.7 -58.4 -42.4 65.3 -10.4 54.7 84 85 A S S S- 0 0 45 -3,-0.1 2,-2.1 -28,-0.1 3,-0.1 -0.986 77.9-108.5-148.9 149.5 64.9 -7.2 56.7 85 86 A P + 0 0 68 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 -0.421 57.2 145.5 -77.9 78.1 63.0 -3.9 56.1 86 87 A D - 0 0 70 -2,-2.1 111,-3.0 1,-0.3 2,-0.1 0.218 67.1 -29.9-107.4 13.5 66.1 -1.8 55.5 87 88 A G > - 0 0 4 109,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.342 46.0-112.2 146.3 139.8 64.4 0.5 53.0 88 89 A L T > S+ 0 0 47 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.827 114.4 61.8 -50.0 -37.6 61.8 1.0 50.2 89 90 A A T >> S+ 0 0 0 108,-1.7 3,-1.3 1,-0.3 4,-0.8 0.663 84.1 78.0 -68.7 -16.9 64.6 1.5 47.6 90 91 A Q H <> S+ 0 0 39 -3,-1.6 4,-3.1 107,-0.4 5,-0.4 0.789 75.9 77.6 -60.6 -18.5 65.7 -2.1 48.4 91 92 A A H <> S+ 0 0 0 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.3 0.901 95.7 45.2 -57.5 -40.9 62.8 -3.1 46.3 92 93 A F H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.827 112.0 50.6 -78.9 -22.1 64.9 -2.2 43.2 93 94 A I H >< S+ 0 0 56 -4,-0.8 3,-1.4 2,-0.2 4,-0.3 0.971 114.6 43.1 -76.7 -46.8 68.0 -4.0 44.5 94 95 A I H 3< S+ 0 0 23 -4,-3.1 3,-0.3 1,-0.3 4,-0.3 0.866 119.5 45.7 -63.7 -36.6 66.1 -7.2 45.3 95 96 A G T 3X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.4 -1,-0.3 0.297 77.1 110.2 -91.9 12.0 64.3 -6.8 41.9 96 97 A E H <> S+ 0 0 89 -3,-1.4 4,-2.3 1,-0.2 3,-0.3 0.953 83.5 44.1 -52.6 -55.3 67.4 -6.0 39.7 97 98 A E H 4 S+ 0 0 183 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.935 115.2 48.7 -55.4 -47.3 67.2 -9.3 37.9 98 99 A F H 4 S+ 0 0 23 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 113.4 48.2 -70.1 -22.3 63.4 -9.1 37.5 99 100 A I H >< S+ 0 0 1 -4,-2.7 3,-2.2 -3,-0.3 -1,-0.2 0.831 77.9 163.2 -80.0 -35.8 63.7 -5.6 36.2 100 101 A G T 3< S- 0 0 45 -4,-2.3 -1,-0.1 1,-0.3 -2,-0.1 -0.207 73.4 -27.1 54.8-131.0 66.4 -6.2 33.6 101 102 A G T 3 S+ 0 0 62 2,-0.0 -1,-0.3 80,-0.0 79,-0.2 0.257 113.5 101.8 -96.2 12.7 66.6 -3.3 31.2 102 103 A D S < S- 0 0 80 -3,-2.2 2,-0.2 1,-0.1 -99,-0.0 -0.314 77.4 -95.0 -94.9 170.3 62.9 -2.3 31.4 103 104 A D - 0 0 75 77,-0.1 -99,-0.5 76,-0.1 2,-0.3 -0.500 42.9-164.1 -60.7 159.4 60.8 0.4 33.1 104 105 A C E - D 0 178A 3 74,-1.3 74,-1.7 75,-0.2 2,-0.3 -0.971 12.5-153.9-152.6 132.9 59.3 -0.6 36.5 105 106 A A E -bD 5 177A 2 -101,-1.8 -99,-2.8 -2,-0.3 2,-0.4 -0.712 12.0-152.9 -88.9 163.0 56.6 0.8 38.8 106 107 A L E +bD 6 176A 0 70,-3.1 70,-2.4 -2,-0.3 2,-0.4 -0.996 13.1 178.8-135.1 132.6 56.5 0.3 42.5 107 108 A V E -bD 7 175A 0 -101,-3.5 -99,-2.0 -2,-0.4 2,-0.2 -0.993 29.5-119.1-127.6 142.6 53.5 0.2 44.7 108 109 A L E > -b 8 0A 27 66,-2.1 3,-2.0 -2,-0.4 -99,-0.2 -0.561 21.7-128.3 -76.5 136.2 53.4 -0.4 48.5 109 110 A G T 3 S+ 0 0 0 -101,-3.5 -100,-0.2 1,-0.3 -71,-0.2 0.690 106.2 48.7 -60.8 -20.8 51.4 -3.4 49.5 110 111 A D T 3 S+ 0 0 43 -102,-0.4 2,-0.5 -72,-0.1 -1,-0.3 0.242 85.6 113.0-103.2 17.7 49.3 -1.4 52.0 111 112 A N < - 0 0 13 -3,-2.0 2,-0.6 63,-0.1 114,-0.1 -0.802 44.1-168.4 -92.4 130.2 48.3 1.5 49.7 112 113 A I E -K 224 0C 0 112,-0.7 112,-1.9 -2,-0.5 2,-0.4 -0.941 6.9-179.1-122.6 113.2 44.7 2.0 48.5 113 114 A F E +K 223 0C 5 -2,-0.6 2,-0.3 110,-0.2 110,-0.2 -0.896 6.7 165.4-108.9 144.6 43.9 4.4 45.7 114 115 A Y E +K 222 0C 23 108,-2.0 108,-2.7 -2,-0.4 2,-0.2 -0.965 13.3 90.9-157.2 141.9 40.5 5.3 44.3 115 116 A G > - 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0 0 35 71,-0.2 45,-0.1 1,-0.1 14,-0.1 -0.023 66.2 -91.3 102.0 151.6 34.0 -24.0 59.1 304 13 B S - 0 0 69 73,-0.1 -1,-0.1 1,-0.1 44,-0.0 0.943 41.0-151.2 -58.3 -55.9 34.2 -23.8 55.3 305 14 B G > + 0 0 20 11,-0.1 3,-1.3 4,-0.0 7,-0.3 0.466 50.9 133.7 85.0 11.6 34.5 -20.0 55.3 306 15 B T G > + 0 0 50 1,-0.3 3,-2.3 2,-0.2 6,-0.1 0.863 59.8 66.1 -64.5 -40.9 32.8 -19.8 51.9 307 16 B R G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -29,-0.1 -28,-0.2 0.837 108.9 40.5 -51.1 -31.9 30.4 -17.0 52.8 308 17 B L G X> S+ 0 0 4 -3,-1.3 3,-1.8 212,-0.1 4,-0.8 0.249 92.9 176.1-104.4 10.9 33.5 -14.8 53.2 309 18 B Y T <4 + 0 0 58 -3,-2.3 -29,-0.3 1,-0.3 -28,-0.1 -0.346 61.1 18.5 -57.3 146.0 35.6 -15.8 50.2 310 19 B P T >> S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-1.0 -0.963 118.5 61.9 -94.8 14.6 38.1 -14.7 49.3 311 20 B V H X> S+ 0 0 1 -3,-1.8 4,-2.1 1,-0.3 3,-1.0 0.948 110.6 46.7 -56.4 -41.3 39.0 -13.0 52.6 312 21 B T H 3< S+ 0 0 19 -4,-0.8 -1,-0.3 -7,-0.3 5,-0.2 0.149 96.4 70.1 -94.3 13.1 39.0 -16.4 54.1 313 22 B M H <4 S+ 0 0 84 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.594 112.5 32.9 -86.8 -23.5 41.1 -17.9 51.4 314 23 B A H << S+ 0 0 19 -4,-1.0 2,-0.4 -3,-1.0 -2,-0.2 0.845 131.0 24.7 -90.8 -43.1 44.0 -15.8 52.8 315 24 B V S < S- 0 0 7 -4,-2.1 -1,-0.3 -5,-0.2 5,-0.1 -0.985 81.3-109.9-131.6 134.2 43.0 -15.8 56.5 316 25 B S >> - 0 0 6 -2,-0.4 3,-2.3 1,-0.1 4,-0.7 -0.318 34.6-122.9 -50.6 135.1 41.0 -18.1 58.8 317 26 B K G >4 S+ 0 0 30 1,-0.3 3,-1.8 2,-0.2 10,-0.2 0.878 111.0 53.4 -51.7 -43.6 37.7 -16.4 59.7 318 27 B Q G 34 S+ 0 0 13 1,-0.3 10,-2.1 -17,-0.2 -1,-0.3 0.506 103.9 56.8 -79.9 -2.5 38.5 -16.6 63.5 319 28 B L G <4 S+ 0 0 7 -3,-2.3 -1,-0.3 8,-0.2 -2,-0.2 0.475 81.5 116.0 -96.6 -5.6 41.9 -15.0 63.0 320 29 B L S << S- 0 0 5 -3,-1.8 7,-2.3 -4,-0.7 2,-0.2 -0.335 75.7-102.9 -63.4 143.4 40.3 -11.9 61.4 321 30 B P E -U 326 0E 21 0, 0.0 2,-0.6 0, 0.0 207,-0.1 -0.465 23.7-163.5 -65.3 131.0 40.8 -8.7 63.4 322 31 B I E > S-U 325 0E 0 3,-2.7 2,-1.4 -2,-0.2 3,-0.9 -0.910 73.9 -62.1-110.3 99.9 37.9 -7.3 65.4 323 32 B Y T 3 S+ 0 0 18 -2,-0.6 -91,-0.1 1,-0.2 -90,-0.1 -0.537 126.3 1.2 56.6 -90.6 39.3 -3.9 65.8 324 33 B D T 3 S+ 0 0 3 -2,-1.4 -305,-0.3 204,-0.1 -1,-0.2 0.343 126.1 36.4-114.3 11.3 42.5 -4.5 67.7 325 34 B K E < S-U 322 0E 0 -3,-0.9 -3,-2.7 -307,-0.1 -306,-0.1 -0.991 90.4 -77.6-157.2 157.5 42.8 -8.3 68.2 326 35 B P E > -U 321 0E 3 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.295 43.6-118.9 -57.7 137.1 42.0 -11.7 66.5 327 36 B M T > S+ 0 0 0 -7,-2.3 3,-1.7 1,-0.3 -8,-0.2 0.806 110.0 65.2 -44.9 -44.6 38.3 -12.7 66.7 328 37 B I T 3> S+ 0 0 0 -10,-2.1 4,-2.2 1,-0.3 -1,-0.3 0.709 85.5 72.8 -59.8 -23.9 39.1 -15.9 68.6 329 38 B Y H <> S+ 0 0 2 -3,-1.9 4,-2.5 -11,-0.2 -1,-0.3 0.817 93.0 58.4 -56.1 -26.5 40.3 -13.7 71.6 330 39 B Y H <> S+ 0 0 0 -3,-1.7 4,-1.8 -4,-0.4 -1,-0.2 0.976 110.6 34.9 -73.3 -59.5 36.7 -12.9 72.3 331 40 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.903 118.1 55.7 -64.5 -32.6 35.1 -16.4 72.8 332 41 B L H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.6 0.978 107.9 48.9 -60.1 -49.2 38.4 -17.4 74.4 333 42 B S H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.853 105.3 58.9 -62.5 -27.9 37.9 -14.5 76.8 334 43 B T H 3X S+ 0 0 2 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.903 104.8 48.2 -68.0 -43.2 34.4 -15.6 77.4 335 44 B L H X<>S+ 0 0 0 -4,-1.9 5,-1.9 -3,-0.6 3,-1.0 0.933 110.9 52.7 -60.5 -40.9 35.5 -19.1 78.7 336 45 B M H ><5S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.3 -2,-0.2 0.896 104.6 54.0 -63.1 -41.9 38.0 -17.4 80.9 337 46 B L H 3<5S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.724 104.7 55.6 -66.8 -23.5 35.4 -15.1 82.4 338 47 B A T <<5S- 0 0 17 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.374 123.4-108.6 -82.5 -2.9 33.4 -18.3 83.2 339 48 B G T < 5S+ 0 0 41 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.558 71.1 141.9 89.5 12.6 36.5 -19.6 85.1 340 49 B I < + 0 0 6 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.798 17.2 168.0 -95.1 115.3 37.5 -22.3 82.7 341 50 B R + 0 0 102 -2,-0.6 27,-3.0 1,-0.1 2,-0.6 0.366 59.3 73.0-110.1 -1.6 41.3 -22.6 82.3 342 51 B D E + n 0 368D 34 -47,-0.3 -45,-2.5 25,-0.2 2,-0.4 -0.915 66.5 172.4-123.4 107.8 41.6 -25.8 80.4 343 52 B I E -mn 297 369D 0 25,-2.3 27,-2.1 -2,-0.6 2,-0.5 -0.929 26.9-153.7-133.0 132.5 40.5 -25.4 76.8 344 53 B L E -mn 298 370D 3 -47,-2.9 -45,-2.5 -2,-0.4 2,-0.5 -0.890 15.6-153.8-104.1 126.2 40.5 -27.5 73.6 345 54 B I E -mn 299 371D 0 25,-3.0 27,-2.3 -2,-0.5 2,-0.5 -0.895 8.6-165.2-103.5 124.6 40.6 -25.5 70.3 346 55 B I E +mn 300 372D 0 -47,-3.0 -45,-3.1 -2,-0.5 2,-0.3 -0.931 22.1 141.5-110.5 134.0 39.1 -27.2 67.2 347 56 B S E - 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