==== 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 23-APR-01 1IIM . COMPND 2 MOLECULE: GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR W.A.BARTON,J.LESNIAK,J.B.BIGGINS,P.D.JEFFREY,J.JIANG,K.R.RAJ . 578 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 10.2 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 44 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 4 0 0 4 4 5 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 3 1 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 1 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 1 A M 0 0 109 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 129.9 4.1 80.5 59.4 2 2 A K - 0 0 114 1,-0.1 2,-0.6 2,-0.0 102,-0.2 -0.500 360.0-101.5 -76.6 148.1 6.8 80.9 56.8 3 3 A T + 0 0 2 124,-1.8 102,-0.1 -2,-0.2 -1,-0.1 -0.626 51.6 163.2 -73.1 116.6 5.6 81.4 53.2 4 4 A R + 0 0 112 -2,-0.6 47,-0.9 100,-0.4 46,-0.4 0.243 50.4 70.0-119.1 8.2 6.0 77.9 51.6 5 5 A K E -a 51 0A 33 99,-0.3 101,-2.4 45,-0.1 2,-0.3 -0.977 56.3-179.5-128.7 145.1 3.8 78.3 48.6 6 6 A G E -ab 52 106A 0 45,-2.0 47,-2.9 -2,-0.4 2,-0.4 -0.975 14.5-152.8-142.3 155.9 4.3 80.4 45.4 7 7 A I E -ab 53 107A 0 99,-1.8 101,-2.3 -2,-0.3 2,-0.6 -0.993 5.0-156.6-129.7 134.5 2.6 81.2 42.2 8 8 A I E -ab 54 108A 0 45,-2.7 47,-2.5 -2,-0.4 2,-1.2 -0.962 11.3-148.1-111.7 118.0 4.2 82.2 38.9 9 9 A L E +ab 55 109A 16 99,-1.9 101,-2.8 -2,-0.6 102,-0.3 -0.759 32.8 160.4 -84.6 98.8 1.8 84.1 36.6 10 10 A A + 0 0 0 45,-3.0 47,-0.4 -2,-1.2 17,-0.2 -0.149 44.3 72.8-115.3 37.9 3.3 83.0 33.3 11 11 A G + 0 0 11 45,-0.3 16,-0.2 15,-0.1 15,-0.2 0.241 46.3 122.5-115.0-122.0 0.5 83.7 30.8 12 12 A G - 0 0 37 71,-0.1 45,-0.1 1,-0.1 75,-0.1 -0.270 66.5 -87.9 88.0-176.1 -0.8 86.9 29.5 13 13 A S - 0 0 60 73,-0.1 -1,-0.1 -2,-0.1 13,-0.0 0.814 33.4-154.7-103.5 -47.4 -1.2 88.3 25.9 14 14 A G > + 0 0 19 11,-0.1 3,-1.9 2,-0.1 7,-0.3 0.827 31.5 157.3 72.9 31.1 2.1 89.9 25.0 15 15 A T G > + 0 0 83 1,-0.3 3,-1.6 2,-0.2 6,-0.1 0.845 67.8 62.9 -56.9 -37.1 0.7 92.3 22.4 16 16 A R G 3 S+ 0 0 150 1,-0.3 214,-0.4 212,-0.1 -1,-0.3 0.651 105.7 47.4 -64.6 -14.2 3.6 94.7 22.8 17 17 A L G X> S+ 0 0 1 -3,-1.9 3,-1.6 212,-0.1 4,-0.9 0.325 90.1 168.5-109.7 6.7 5.9 91.9 21.5 18 18 A Y T <4 + 0 0 110 -3,-1.6 -4,-0.0 1,-0.3 -3,-0.0 -0.405 62.2 20.5 -60.4 143.7 3.9 90.8 18.5 19 19 A P T >> S+ 0 0 104 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.986 122.3 59.6 -88.7 4.2 4.7 88.9 16.3 20 20 A V G X4 S+ 0 0 65 -3,-1.6 3,-0.6 1,-0.3 -2,-0.2 0.931 112.5 42.3 -53.6 -48.3 7.5 87.6 18.6 21 21 A T G 3< S+ 0 0 16 -4,-0.9 -1,-0.3 -7,-0.3 -3,-0.2 0.222 92.2 86.6 -86.5 14.7 4.9 86.4 21.1 22 22 A M G <4 S+ 0 0 113 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.894 110.6 15.4 -76.9 -42.0 2.5 85.1 18.4 23 23 A A S << S+ 0 0 74 -4,-0.7 2,-0.3 -3,-0.6 -2,-0.2 0.190 128.8 51.6-116.8 13.8 4.3 81.7 18.4 24 24 A V S S- 0 0 61 -4,-0.2 -1,-0.2 -5,-0.1 5,-0.1 -0.904 81.2-119.0-154.4 123.7 6.3 81.9 21.7 25 25 A S >> - 0 0 7 -2,-0.3 3,-2.3 1,-0.1 4,-0.8 -0.301 24.9-124.2 -58.9 139.4 5.1 82.8 25.2 26 26 A Q G >4 S+ 0 0 25 1,-0.3 3,-1.2 -15,-0.2 10,-0.2 0.907 113.9 57.1 -51.3 -39.5 6.9 85.8 26.6 27 27 A Q G 34 S+ 0 0 6 1,-0.3 10,-2.6 -16,-0.2 -1,-0.3 0.539 103.8 51.5 -72.3 -7.8 7.9 83.5 29.5 28 28 A L G <4 S+ 0 0 41 -3,-2.3 -1,-0.3 8,-0.2 -2,-0.2 0.494 84.0 111.3-102.6 -8.0 9.6 81.1 27.1 29 29 A L S << S- 0 0 12 -3,-1.2 7,-2.8 -4,-0.8 2,-0.2 -0.343 75.7-109.3 -65.6 144.8 11.7 83.8 25.4 30 30 A P E -I 35 0B 82 0, 0.0 2,-0.6 0, 0.0 207,-0.1 -0.509 18.4-158.9 -78.3 145.1 15.4 83.6 26.2 31 31 A I E > S-I 34 0B 0 3,-2.3 2,-1.5 -2,-0.2 3,-0.6 -0.895 73.6 -60.6-120.6 91.0 17.1 86.2 28.4 32 32 A Y T 3 S+ 0 0 101 -2,-0.6 205,-0.1 1,-0.2 206,-0.1 -0.506 127.7 3.5 68.6 -84.4 20.6 85.6 27.1 33 33 A D T 3 S+ 0 0 44 -2,-1.5 -1,-0.2 1,-0.1 248,-0.0 0.258 124.7 35.0-120.1 13.4 21.2 81.9 28.0 34 34 A K E < S-I 31 0B 8 -3,-0.6 -3,-2.3 -5,-0.0 -1,-0.1 -0.989 89.0 -79.1-161.1 155.2 18.0 80.5 29.5 35 35 A P E > -I 30 0B 31 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.251 43.8-115.6 -59.7 144.6 14.2 80.8 29.2 36 36 A M T > S+ 0 0 0 -7,-2.8 3,-1.9 1,-0.3 -8,-0.2 0.856 110.6 63.3 -47.6 -44.9 12.6 83.8 30.8 37 37 A I T 3> S+ 0 0 0 -10,-2.6 4,-1.7 1,-0.3 -1,-0.3 0.689 86.4 74.5 -61.1 -16.7 10.6 81.7 33.4 38 38 A Y H <> S+ 0 0 25 -3,-2.1 4,-1.9 -11,-0.2 -1,-0.3 0.797 92.6 57.0 -63.7 -28.1 13.9 80.4 35.0 39 39 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.4 -2,-0.2 0.985 109.1 38.2 -71.3 -59.1 14.3 83.8 36.6 40 40 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.876 116.0 56.2 -60.0 -31.7 11.1 84.2 38.5 41 41 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.924 108.1 47.5 -62.0 -46.0 11.3 80.5 39.4 42 42 A S H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.872 106.3 58.4 -61.8 -39.4 14.8 81.1 40.9 43 43 A T H X S+ 0 0 1 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.935 109.5 43.2 -59.2 -45.8 13.5 84.1 42.8 44 44 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-1.4 0.954 112.6 52.9 -63.6 -48.7 10.9 81.9 44.6 45 45 A M H ><5S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.885 106.0 53.9 -53.2 -42.5 13.4 79.1 45.1 46 46 A L H 3<5S+ 0 0 48 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.717 101.9 58.6 -66.5 -20.7 15.8 81.6 46.8 47 47 A A T <<5S- 0 0 10 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.376 125.9-105.8 -86.0 2.3 13.1 82.6 49.1 48 48 A G T < 5S+ 0 0 12 -3,-1.9 2,-0.6 1,-0.3 -3,-0.2 0.583 74.3 144.0 84.4 11.2 13.0 78.9 50.2 49 49 A I < + 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.752 13.6 159.1 -90.8 121.3 9.8 78.2 48.3 50 50 A R + 0 0 108 -2,-0.6 27,-2.8 -46,-0.4 2,-0.9 0.584 55.8 76.6-113.9 -20.6 9.6 74.8 46.7 51 51 A D E +ac 5 77A 36 -47,-0.9 -45,-2.0 25,-0.2 2,-0.4 -0.863 67.3 170.2 -99.5 107.0 5.9 74.2 46.3 52 52 A I E -ac 6 78A 0 25,-2.0 27,-2.2 -2,-0.9 2,-0.5 -0.957 29.6-151.0-128.2 134.9 5.0 76.3 43.2 53 53 A L E -ac 7 79A 5 -47,-2.9 -45,-2.7 -2,-0.4 2,-0.6 -0.874 13.6-155.2-102.2 126.5 1.9 76.7 41.0 54 54 A I E -ac 8 80A 1 25,-3.4 27,-2.2 -2,-0.5 2,-0.4 -0.894 10.3-169.4-105.1 121.2 2.6 77.7 37.4 55 55 A I E +ac 9 81A 0 -47,-2.5 -45,-3.0 -2,-0.6 2,-0.2 -0.909 20.4 140.7-110.6 133.8 -0.3 79.5 35.6 56 56 A S E - c 0 82A 0 25,-1.2 27,-3.0 -2,-0.4 -45,-0.3 -0.815 50.5 -58.7-150.7-167.0 -0.3 80.2 31.9 57 57 A T > - 0 0 26 -47,-0.4 4,-2.4 -2,-0.2 -1,-0.1 -0.265 51.9-103.2 -79.8 166.9 -2.7 80.2 28.9 58 58 A P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.956 123.5 41.4 -55.1 -44.7 -4.6 77.2 27.6 59 59 A Q T 4 S+ 0 0 118 1,-0.2 4,-0.4 2,-0.1 23,-0.0 0.907 120.1 39.9 -71.0 -40.6 -2.1 76.8 24.9 60 60 A D T >> S+ 0 0 19 1,-0.2 4,-2.0 2,-0.1 3,-0.5 0.730 92.1 79.7 -86.2 -20.2 1.1 77.5 26.8 61 61 A T H 3X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 3,-0.2 0.935 94.3 50.9 -52.6 -49.4 0.6 75.7 30.1 62 62 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.848 106.6 56.4 -58.6 -31.7 1.4 72.3 28.6 63 63 A R H <> S+ 0 0 98 -3,-0.5 4,-2.1 -4,-0.4 -2,-0.2 0.920 108.1 45.4 -66.8 -42.9 4.6 73.8 27.1 64 64 A F H X S+ 0 0 0 -4,-2.0 4,-3.2 -3,-0.2 5,-0.4 0.880 111.2 54.9 -67.1 -31.4 5.8 74.9 30.5 65 65 A Q H X S+ 0 0 101 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.907 109.7 46.1 -66.6 -39.7 4.8 71.5 31.9 66 66 A Q H < S+ 0 0 169 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.850 115.7 47.2 -70.1 -33.5 7.0 69.9 29.2 67 67 A L H < S+ 0 0 59 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.919 129.5 19.6 -73.0 -44.9 9.8 72.3 30.0 68 68 A L H >< S- 0 0 1 -4,-3.2 3,-1.3 1,-0.2 5,-0.2 0.682 82.6-168.6-102.5 -23.5 9.7 71.9 33.8 69 69 A G T 3< - 0 0 31 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.1 -0.261 67.2 -37.1 62.5-153.5 7.9 68.7 34.6 70 70 A D T 3 S- 0 0 95 7,-0.1 8,-2.5 1,-0.1 -1,-0.2 0.422 80.6-122.5 -84.7 4.6 6.9 68.1 38.2 71 71 A G S X >S+ 0 0 0 -3,-1.3 5,-2.5 6,-0.2 3,-2.0 0.470 75.8 126.7 72.0 2.3 10.1 69.8 39.3 72 72 A S G > 5 + 0 0 70 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.805 62.2 72.3 -62.0 -25.7 11.3 66.8 41.3 73 73 A Q G 3 5S+ 0 0 56 1,-0.3 -1,-0.3 -5,-0.2 199,-0.1 0.758 108.2 35.3 -61.1 -20.6 14.6 67.0 39.3 74 74 A W G < 5S- 0 0 6 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.086 123.4 -99.7-118.0 21.2 15.3 70.1 41.3 75 75 A G T < 5S+ 0 0 21 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.751 85.2 125.1 68.5 24.2 13.7 69.1 44.6 76 76 A L < - 0 0 10 -5,-2.5 2,-0.6 -25,-0.0 -1,-0.2 -0.698 60.2-137.0-113.7 165.6 10.6 71.1 43.9 77 77 A N E -c 51 0A 85 -27,-2.8 -25,-2.0 -2,-0.2 2,-0.4 -0.919 31.6-176.5-120.1 97.9 6.9 70.3 43.7 78 78 A L E +c 52 0A 8 -8,-2.5 2,-0.3 -2,-0.6 -25,-0.2 -0.811 6.2 177.5-102.2 140.5 5.5 72.1 40.6 79 79 A Q E -c 53 0A 61 -27,-2.2 -25,-3.4 -2,-0.4 2,-0.3 -0.902 13.7-144.3-132.2 162.6 1.9 72.1 39.6 80 80 A Y E +c 54 0A 39 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.956 16.3 173.7-132.6 148.1 0.1 73.8 36.7 81 81 A K E -c 55 0A 71 -27,-2.2 -25,-1.2 -2,-0.3 2,-0.2 -0.987 27.7-120.2-152.2 143.3 -3.2 75.5 36.1 82 82 A V E -c 56 0A 52 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.591 6.6-148.2 -87.7 143.6 -4.7 77.3 33.1 83 83 A Q - 0 0 10 -27,-3.0 -71,-0.1 -2,-0.2 -22,-0.1 -0.947 14.9-152.4-106.2 106.9 -5.9 80.9 33.2 84 84 A P S S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.891 77.3 5.8 -46.5 -49.0 -8.7 80.8 30.6 85 85 A S S S- 0 0 52 -3,-0.1 2,-3.1 -28,-0.1 -72,-0.0 -0.992 81.6-108.1-139.9 143.6 -8.3 84.5 29.7 86 86 A P + 0 0 64 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 -0.356 58.0 152.5 -70.0 69.1 -5.7 87.1 30.8 87 87 A D - 0 0 64 -2,-3.1 111,-2.2 1,-0.3 3,-0.1 0.183 60.7 -52.1 -88.1 16.9 -8.2 88.9 33.0 88 88 A G > - 0 0 5 109,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.202 46.8 -95.0 126.5 144.8 -5.8 90.4 35.6 89 89 A L G > S+ 0 0 55 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.884 117.6 60.7 -55.5 -43.3 -3.0 89.6 38.0 90 90 A A G > S+ 0 0 0 108,-1.7 3,-1.6 1,-0.3 4,-0.4 0.706 85.9 75.8 -60.8 -20.1 -5.3 89.3 40.9 91 91 A Q G X> S+ 0 0 31 -3,-1.4 4,-2.6 107,-0.4 3,-1.1 0.725 75.9 81.7 -65.0 -17.3 -7.1 86.4 39.2 92 92 A A H <> S+ 0 0 0 -3,-2.2 4,-1.9 -4,-0.3 -1,-0.3 0.818 90.0 49.4 -57.5 -31.1 -4.1 84.4 40.2 93 93 A F H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.668 110.7 48.9 -84.8 -15.7 -5.6 83.9 43.7 94 94 A I H X4 S+ 0 0 58 -3,-1.1 3,-1.6 -4,-0.4 4,-0.3 0.914 116.2 42.1 -83.2 -53.9 -8.9 82.7 42.3 95 95 A I H 3< S+ 0 0 16 -4,-2.6 3,-0.4 1,-0.3 4,-0.3 0.911 120.6 44.1 -57.6 -44.3 -7.4 80.2 39.9 96 96 A G T 3X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.3 0.150 79.9 112.7 -90.7 22.0 -4.9 79.1 42.5 97 97 A E H <> S+ 0 0 68 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.904 79.8 43.3 -59.6 -47.1 -7.4 78.9 45.4 98 98 A E H 4 S+ 0 0 130 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.930 114.0 52.4 -65.3 -44.3 -7.3 75.2 45.9 99 99 A F H 4 S+ 0 0 23 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 111.5 46.8 -56.4 -44.8 -3.5 75.1 45.5 100 100 A I H >< S+ 0 0 1 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.892 80.9 167.0 -68.4 -39.2 -3.2 77.8 48.2 101 101 A G T 3< S- 0 0 35 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.436 72.1 -28.8 62.5-127.7 -5.6 76.1 50.7 102 102 A H T 3 S+ 0 0 168 -2,-0.2 -1,-0.2 -4,-0.1 79,-0.2 0.257 114.4 105.2-104.1 7.0 -5.3 77.8 54.1 103 103 A D S < S- 0 0 53 -3,-2.1 2,-0.1 1,-0.1 -100,-0.1 -0.311 74.9-100.1 -92.4 172.7 -1.7 78.8 53.6 104 104 A D - 0 0 14 -102,-0.2 -100,-0.4 -2,-0.1 2,-0.3 -0.452 43.9-167.3 -78.1 159.5 0.4 82.0 53.0 105 105 A C E - D 0 179A 1 74,-2.1 74,-2.5 -2,-0.1 2,-0.3 -0.995 18.1-143.0-156.1 146.2 1.5 82.4 49.4 106 106 A A E -bD 6 178A 0 -101,-2.4 -99,-1.8 -2,-0.3 2,-0.4 -0.737 13.5-155.6-104.5 155.3 3.9 84.5 47.2 107 107 A L E +bD 7 177A 0 70,-2.8 70,-3.2 -2,-0.3 2,-0.4 -0.999 12.3 178.2-131.0 133.5 3.1 85.7 43.7 108 108 A V E -bD 8 176A 0 -101,-2.3 -99,-1.9 -2,-0.4 2,-0.2 -1.000 29.6-120.3-137.0 136.4 5.8 86.6 41.1 109 109 A L E > -b 9 0A 26 66,-2.1 3,-1.6 -2,-0.4 -99,-0.2 -0.552 21.1-128.6 -75.4 138.4 5.2 87.7 37.6 110 110 A G T 3 S+ 0 0 1 -101,-2.8 -71,-0.2 1,-0.3 -69,-0.1 0.667 105.0 50.2 -62.3 -19.2 6.7 85.4 34.9 111 111 A D T 3 S+ 0 0 25 -102,-0.3 2,-0.5 -72,-0.1 116,-0.5 0.221 86.2 110.1-105.6 16.5 8.5 88.2 33.1 112 112 A N E < -J 226 0C 1 -3,-1.6 2,-0.5 114,-0.1 114,-0.2 -0.811 47.5-164.5 -98.9 126.6 10.2 89.8 36.2 113 113 A I E -J 225 0C 1 112,-2.6 112,-2.5 -2,-0.5 2,-0.4 -0.926 6.6-174.7-109.5 120.6 13.9 89.5 36.7 114 114 A F E +J 224 0C 4 -2,-0.5 2,-0.3 110,-0.2 110,-0.2 -0.935 10.9 162.4-114.8 139.7 15.3 90.3 40.2 115 115 A Y E +J 223 0C 24 108,-2.0 108,-3.5 -2,-0.4 2,-0.2 -0.969 13.9 103.8-156.7 137.7 19.1 90.4 40.9 116 116 A G > - 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0 0 15 -5,-0.5 -1,-0.3 -6,-0.3 2,-0.3 -0.970 66.4-127.1-125.7 143.4 28.7 82.4 37.2 250 250 A K > - 0 0 19 -2,-0.4 2,-0.5 -3,-0.1 3,-0.5 -0.682 15.1-130.5 -93.6 141.3 25.1 82.1 36.0 251 251 A V T 3 S- 0 0 7 -2,-0.3 -209,-0.0 1,-0.2 -136,-0.0 -0.786 87.4 -4.6 -88.6 127.1 22.2 84.3 37.2 252 252 A S T 3 S+ 0 0 15 -2,-0.5 -1,-0.2 1,-0.2 -210,-0.2 0.913 76.1 168.9 58.1 51.3 19.2 82.3 38.2 253 253 A C <> - 0 0 1 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 -0.857 23.0-156.3 -93.2 110.0 20.3 78.7 37.3 254 254 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.890 90.4 52.5 -54.4 -45.0 17.7 76.5 38.9 255 255 A E H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 9,-0.1 0.925 112.4 46.1 -58.7 -45.2 20.0 73.4 39.1 256 256 A E H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.913 113.8 46.8 -64.5 -44.9 22.6 75.5 40.9 257 257 A I H X S+ 0 0 15 -4,-2.6 4,-2.0 2,-0.2 6,-0.3 0.912 110.7 52.5 -64.9 -41.1 20.2 77.1 43.3 258 258 A A H <>S+ 0 0 0 -4,-2.9 5,-3.0 -5,-0.2 6,-1.3 0.914 113.5 45.7 -59.9 -41.0 18.6 73.8 44.1 259 259 A F H ><5S+ 0 0 48 -4,-2.0 3,-1.6 -5,-0.2 -2,-0.2 0.940 112.2 48.2 -66.8 -50.3 22.1 72.4 44.8 260 260 A R H 3<5S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 113.6 47.5 -65.8 -24.3 23.3 75.3 46.9 261 261 A K T 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.270 115.2-116.9 -98.2 11.5 20.1 75.3 49.0 262 262 A N T < 5S+ 0 0 121 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.744 76.2 131.9 61.1 27.8 20.4 71.5 49.5 263 263 A F S - 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