==== 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 21-APR-08 3CWC . COMPND 2 MOLECULE: PUTATIVE GLYCERATE KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR J.OSIPIUK,M.ZHOU,D.HOLZLE,W.ANDERSON,A.JOACHIMIAK,CENTER FOR . 743 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 44 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 5 2 3 2 3 2 0 1 3 2 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 6 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 . 4 2 2 0 0 0 0 2 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 . 0 2 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 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 0 A A 0 0 97 0, 0.0 2,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 140.3 49.7 52.4 15.0 2 1 A X - 0 0 37 1,-0.1 34,-2.7 285,-0.1 2,-0.6 -0.460 360.0-138.2 -63.1 133.6 46.3 53.4 16.5 3 2 A K E -a 36 0A 79 -2,-0.2 284,-2.8 32,-0.2 285,-1.4 -0.884 22.5-177.4-101.2 121.5 45.7 51.5 19.7 4 3 A I E -ab 37 288A 1 32,-2.8 34,-1.7 -2,-0.6 2,-0.5 -0.982 8.9-161.1-123.3 118.3 42.2 50.2 20.1 5 4 A V E -ab 38 289A 5 283,-2.5 285,-2.7 -2,-0.5 2,-0.6 -0.908 1.7-161.4-102.1 128.8 41.1 48.4 23.3 6 5 A I E +ab 39 290A 0 32,-3.1 34,-2.8 -2,-0.5 285,-0.2 -0.933 20.6 163.3-112.9 107.1 38.0 46.3 23.1 7 6 A A + 0 0 0 283,-2.9 285,-0.4 -2,-0.6 2,-0.2 -0.675 13.2 154.7-133.3 68.8 36.7 45.6 26.6 8 7 A P - 0 0 0 0, 0.0 34,-2.7 0, 0.0 285,-0.2 -0.592 37.8-128.8 -94.4 160.8 33.0 44.4 26.6 9 8 A D - 0 0 8 283,-3.0 34,-0.1 -2,-0.2 11,-0.1 -0.382 45.6 -85.8 -85.5 175.9 30.9 42.4 29.0 10 9 A S - 0 0 20 32,-0.2 284,-2.6 -2,-0.2 2,-0.6 -0.236 31.3-112.8 -79.2 171.4 28.9 39.4 27.6 11 10 A Y B > -c 294 0A 2 4,-3.1 3,-2.2 282,-0.3 284,-0.2 -0.963 41.8-117.2 -99.9 116.0 25.6 39.4 26.0 12 11 A K T 3 S+ 0 0 38 282,-1.9 3,-0.2 -2,-0.6 4,-0.1 -0.335 95.5 5.2 -60.1 128.0 23.3 37.5 28.4 13 12 A E T 3 S+ 0 0 100 1,-0.3 327,-1.9 -2,-0.1 -1,-0.3 0.600 135.8 52.0 69.6 14.0 21.9 34.2 26.9 14 13 A S S < S+ 0 0 18 -3,-2.2 -1,-0.3 1,-0.3 332,-0.1 -0.390 98.4 9.5-143.0-133.8 24.1 35.0 23.9 15 14 A L - 0 0 4 -3,-0.2 -4,-3.1 -2,-0.1 -1,-0.3 -0.203 64.8-123.0 -65.0 138.3 27.7 35.8 23.1 16 15 A S > - 0 0 40 -6,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.304 35.3 -99.3 -65.6 162.6 30.5 35.5 25.8 17 16 A A H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.875 127.1 48.5 -50.1 -45.8 32.6 38.6 26.5 18 17 A L H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.855 108.4 52.1 -64.0 -40.7 35.3 37.2 24.3 19 18 A E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.880 110.5 49.1 -67.5 -35.9 32.9 36.5 21.4 20 19 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.927 112.0 48.8 -60.3 -47.3 31.6 40.1 21.6 21 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.882 111.8 49.5 -65.2 -36.4 35.2 41.4 21.6 22 21 A T H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.919 110.5 49.1 -69.6 -41.7 36.1 39.1 18.6 23 22 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.882 112.2 49.1 -64.4 -39.0 33.0 40.3 16.6 24 23 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.907 111.5 48.5 -66.5 -42.9 33.9 43.9 17.3 25 24 A E H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 108.6 53.8 -66.9 -45.6 37.5 43.4 16.2 26 25 A Q H X S+ 0 0 92 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.922 111.4 45.6 -47.9 -51.2 36.5 41.6 13.0 27 26 A G H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.925 112.4 50.8 -62.1 -47.5 34.2 44.6 12.0 28 27 A F H >X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 3,-1.4 0.868 103.8 58.8 -56.0 -39.4 36.9 47.2 12.9 29 28 A R H 3< S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 92.1 68.1 -68.1 -18.6 39.5 45.3 10.8 30 29 A E T << S+ 0 0 96 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.784 118.2 23.0 -66.6 -25.2 37.3 45.8 7.8 31 30 A I T <4 S+ 0 0 31 -3,-1.4 -2,-0.2 -4,-0.5 -3,-0.1 0.787 139.9 26.9-103.8 -45.3 38.0 49.5 8.0 32 31 A W >< + 0 0 32 -4,-3.4 3,-1.2 1,-0.1 -2,-0.2 -0.665 65.5 162.6-123.1 74.4 41.3 49.5 10.0 33 32 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.847 76.4 46.2 -59.3 -37.0 43.1 46.2 9.3 34 33 A D T 3 S+ 0 0 150 2,-0.1 -5,-0.1 -5,-0.1 -2,-0.0 0.235 83.6 112.5 -98.2 6.3 46.5 47.3 10.5 35 34 A A S < S- 0 0 12 -3,-1.2 2,-0.7 -34,-0.1 -32,-0.2 -0.327 76.6-101.7 -67.7 166.5 45.6 49.1 13.8 36 35 A D E -a 3 0A 89 -34,-2.7 -32,-2.8 2,-0.0 2,-0.3 -0.852 42.6-166.2 -92.1 112.4 46.7 47.5 17.1 37 36 A Y E -a 4 0A 32 -2,-0.7 2,-0.4 -34,-0.2 -32,-0.2 -0.755 14.4-175.9-103.3 139.8 43.9 45.6 18.8 38 37 A L E -a 5 0A 75 -34,-1.7 -32,-3.1 -2,-0.3 2,-0.5 -0.975 11.1-157.7-132.3 117.5 43.6 44.4 22.4 39 38 A K E +a 6 0A 68 -2,-0.4 -32,-0.2 -34,-0.2 -21,-0.1 -0.862 13.2 176.6 -93.8 126.5 40.6 42.3 23.4 40 39 A L - 0 0 12 -34,-2.8 2,-0.1 -2,-0.5 12,-0.0 -0.805 17.5-153.9-128.9 86.1 40.0 42.3 27.2 41 40 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 15,-0.2 -0.452 22.0-160.1 -59.4 130.6 36.8 40.4 27.9 42 41 A L - 0 0 3 -34,-2.7 2,-0.3 -2,-0.1 -32,-0.2 -0.621 17.5-174.6-113.5 171.0 35.4 41.8 31.2 43 42 A A - 0 0 2 -2,-0.2 230,-0.1 -34,-0.1 5,-0.1 -0.960 27.5-134.0-158.4 160.1 33.0 40.7 33.9 44 43 A D - 0 0 34 -2,-0.3 226,-0.4 3,-0.3 225,-0.3 0.231 65.5 -86.1-103.6 13.0 31.5 42.3 37.0 45 44 A G S S+ 0 0 7 1,-0.2 90,-0.4 224,-0.2 147,-0.1 0.301 103.4 101.6 94.7 -8.6 32.1 39.3 39.4 46 45 A G S > S- 0 0 24 1,-0.3 3,-1.5 87,-0.1 -1,-0.2 0.145 84.5 -23.0 -84.5-159.3 28.8 37.7 38.3 47 46 A E T 3 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 -3,-0.3 -0.266 131.0 25.5 -47.0 134.5 28.0 34.9 35.9 48 47 A G T 3> S+ 0 0 36 -3,-0.1 4,-1.5 -5,-0.1 -1,-0.2 0.506 82.7 118.9 85.8 7.8 30.9 34.4 33.4 49 48 A T H <> S+ 0 0 7 -3,-1.5 4,-2.0 2,-0.2 5,-0.2 0.875 73.3 51.1 -74.6 -37.8 33.7 35.9 35.6 50 49 A V H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 113.8 44.7 -65.6 -45.8 35.8 32.6 35.7 51 50 A E H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.838 113.5 49.5 -65.5 -35.8 35.7 32.2 31.9 52 51 A A H X S+ 0 0 4 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.894 111.7 48.8 -72.2 -39.6 36.5 35.9 31.2 53 52 A X H X S+ 0 0 4 -4,-2.0 4,-1.3 2,-0.2 6,-0.2 0.856 109.1 51.5 -67.6 -40.0 39.4 36.0 33.6 54 53 A V H X>S+ 0 0 10 -4,-1.8 5,-2.5 2,-0.2 4,-0.5 0.962 115.2 42.9 -60.0 -50.0 41.0 32.8 32.2 55 54 A E H ><5S+ 0 0 59 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.958 113.8 50.2 -60.3 -55.5 40.8 34.2 28.7 56 55 A A H 3<5S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.705 121.2 36.2 -54.8 -25.1 42.0 37.7 29.8 57 56 A T H 3<5S- 0 0 35 -4,-1.3 25,-1.2 -3,-0.4 -1,-0.3 0.252 106.9-120.4-115.7 8.3 45.0 36.1 31.6 58 57 A A T <<5S+ 0 0 84 -3,-1.5 -3,-0.2 -4,-0.5 -4,-0.1 0.798 72.0 129.2 59.1 31.1 45.7 33.2 29.1 59 58 A G < - 0 0 20 -5,-2.5 2,-0.3 -6,-0.2 22,-0.2 0.161 50.1-110.9 -94.1-146.9 45.0 30.7 32.0 60 59 A R E -G 80 0B 147 20,-1.9 20,-2.7 21,-0.1 2,-0.4 -0.989 11.6-110.8-154.1 157.8 42.8 27.6 32.0 61 60 A I E -G 79 0B 46 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.796 26.7-159.9 -88.8 128.9 39.6 26.0 33.5 62 61 A V E -G 78 0B 26 16,-3.2 16,-1.8 -2,-0.4 2,-0.4 -0.942 6.4-151.2-110.2 120.7 40.1 23.1 35.9 63 62 A H E +G 77 0B 133 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.796 25.0 162.9 -90.2 134.7 37.1 20.7 36.4 64 63 A V E -G 76 0B 37 12,-1.6 12,-2.0 -2,-0.4 2,-0.4 -0.994 36.2-111.1-148.9 153.5 36.8 19.0 39.8 65 64 A E E +G 75 0B 86 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.711 41.9 162.9 -90.9 136.4 34.1 17.2 41.8 66 65 A V E -G 74 0B 0 8,-2.4 8,-2.6 -2,-0.4 2,-0.6 -0.852 45.1 -78.8-140.6 169.9 32.7 18.7 44.9 67 66 A T E -G 73 0B 16 -2,-0.3 47,-0.8 6,-0.2 6,-0.2 -0.682 48.8-141.7 -76.6 119.2 29.8 18.5 47.4 68 67 A G > - 0 0 2 4,-3.8 3,-1.6 -2,-0.6 46,-0.2 -0.092 33.3 -86.7 -69.9 175.6 26.8 20.3 45.9 69 68 A P T 3 S+ 0 0 2 0, 0.0 42,-2.6 0, 0.0 44,-0.1 0.747 129.2 43.4 -63.1 -25.8 24.4 22.4 47.9 70 69 A L T 3 S- 0 0 52 40,-0.2 3,-0.1 29,-0.2 40,-0.1 0.200 126.3 -96.4-102.8 17.2 22.1 19.4 49.0 71 70 A G S < S+ 0 0 25 -3,-1.6 2,-0.1 1,-0.3 39,-0.0 0.233 86.0 122.7 93.6 -9.7 25.2 17.2 49.8 72 71 A H S S- 0 0 136 -5,-0.1 -4,-3.8 1,-0.1 2,-0.3 -0.283 70.5 -87.8 -86.6 167.7 25.4 15.3 46.5 73 72 A R E +G 67 0B 139 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.572 48.4 175.5 -77.5 132.1 28.3 15.1 44.1 74 73 A V E -G 66 0B 17 -8,-2.6 -8,-2.4 -2,-0.3 2,-1.0 -0.983 34.9-119.7-132.0 150.8 28.5 17.8 41.4 75 74 A N E +G 65 0B 97 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.773 44.4 171.2 -89.9 102.2 31.0 18.6 38.7 76 75 A A E -G 64 0B 1 -12,-2.0 -12,-1.6 -2,-1.0 2,-0.3 -0.277 12.9-156.3 -94.3-175.0 32.2 22.1 39.5 77 76 A F E -G 63 0B 55 -14,-0.2 13,-0.4 13,-0.2 2,-0.3 -0.959 10.3-171.3-154.2 168.5 35.0 24.1 38.0 78 77 A Y E -G 62 0B 20 -16,-1.8 -16,-3.2 -2,-0.3 2,-0.4 -0.950 20.8-116.8-154.5 174.3 37.5 26.9 38.6 79 78 A G E -GH 61 88B 0 9,-2.3 9,-2.7 -2,-0.3 2,-0.3 -0.925 13.2-162.2-122.1 140.5 40.1 29.0 36.8 80 79 A L E -GH 60 87B 4 -20,-2.7 -20,-1.9 -2,-0.4 7,-0.2 -0.896 27.1-116.1-112.1 149.6 43.8 29.4 37.1 81 80 A S > - 0 0 6 5,-2.3 3,-0.9 -2,-0.3 -23,-0.1 -0.256 29.9-104.0 -75.0 169.2 45.7 32.4 35.6 82 81 A G T 3 S+ 0 0 47 -25,-1.2 -24,-0.1 1,-0.2 -1,-0.1 0.858 126.1 45.3 -61.8 -39.0 48.4 32.0 32.9 83 82 A D T 3 S- 0 0 103 -26,-0.2 -1,-0.2 1,-0.0 -25,-0.1 0.475 108.9-127.3 -80.3 -3.0 51.1 32.5 35.5 84 83 A A S < S+ 0 0 49 -3,-0.9 -2,-0.1 2,-0.2 3,-0.1 0.729 83.1 109.8 57.5 28.3 49.4 30.1 37.9 85 84 A R + 0 0 139 42,-0.2 43,-2.6 1,-0.1 44,-1.5 0.487 69.6 51.8-105.9 -11.3 49.5 32.8 40.7 86 85 A S E - i 0 129B 21 41,-0.2 -5,-2.3 42,-0.2 2,-0.4 -0.987 62.1-158.5-130.4 141.6 45.8 33.6 40.7 87 86 A A E -Hi 80 130B 0 42,-2.6 44,-2.9 -2,-0.4 2,-0.5 -0.934 6.9-154.6-112.0 143.2 42.6 31.5 41.1 88 87 A F E -Hi 79 131B 3 -9,-2.7 -9,-2.3 -2,-0.4 2,-0.4 -0.980 17.3-176.7-118.3 120.1 39.1 32.6 39.9 89 88 A I E - i 0 132B 3 42,-3.3 44,-2.6 -2,-0.5 2,-0.6 -0.967 21.1-164.4-122.9 130.4 36.1 31.0 41.7 90 89 A E E > - i 0 133B 27 -2,-0.4 3,-1.5 -13,-0.4 4,-0.5 -0.980 14.9-153.5-103.6 109.7 32.4 31.3 41.2 91 90 A X T >> S+ 0 0 0 42,-2.5 4,-2.6 -2,-0.6 3,-1.5 0.821 90.0 67.9 -37.3 -47.0 30.8 29.9 44.3 92 91 A A H 3> S+ 0 0 16 43,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.708 84.4 69.7 -60.1 -28.3 27.6 29.0 42.3 93 92 A A H <4 S+ 0 0 5 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.907 119.2 20.0 -52.0 -43.8 29.6 26.4 40.4 94 93 A A H <4 S+ 0 0 0 -3,-1.5 -2,-0.2 -4,-0.5 20,-0.2 0.864 143.3 18.0 -91.8 -47.8 29.6 24.4 43.7 95 94 A S H < S+ 0 0 0 -4,-2.6 43,-2.4 -27,-0.2 44,-0.5 -0.032 91.1 134.9-126.1 26.5 26.8 25.7 45.9 96 95 A G B >< -L 137 0C 0 -4,-1.5 3,-1.6 41,-0.2 41,-0.3 -0.387 67.1-115.3 -88.0 160.0 24.6 27.6 43.6 97 96 A L G > S+ 0 0 34 39,-2.1 3,-1.0 1,-0.3 40,-0.1 0.704 112.8 66.7 -56.0 -27.3 20.8 27.8 43.0 98 97 A E G 3 S+ 0 0 128 38,-0.4 -1,-0.3 1,-0.2 39,-0.1 0.726 95.7 57.0 -69.1 -21.0 21.3 26.2 39.5 99 98 A Q G < S+ 0 0 65 -3,-1.6 -1,-0.2 -7,-0.2 -2,-0.2 0.483 99.1 69.8 -84.3 -8.0 22.4 23.0 41.3 100 99 A V S < S- 0 0 1 -3,-1.0 5,-0.1 -4,-0.2 -1,-0.1 -0.940 83.5-132.7-115.2 108.2 19.1 22.8 43.2 101 100 A P > - 0 0 74 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.254 30.9-110.6 -51.5 146.3 15.9 22.0 41.3 102 101 A P G > S+ 0 0 104 0, 0.0 3,-1.2 0, 0.0 -4,-0.0 0.863 116.0 54.4 -51.7 -42.0 13.1 24.4 42.3 103 102 A A G 3 S+ 0 0 85 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.829 108.6 49.4 -59.4 -34.5 11.0 21.8 44.1 104 103 A Q G < S+ 0 0 106 -3,-0.9 2,-0.8 2,-0.0 -1,-0.2 0.251 75.1 132.2 -96.7 12.4 14.0 20.8 46.4 105 104 A R < + 0 0 78 -3,-1.2 -8,-0.0 -4,-0.3 -35,-0.0 -0.534 21.4 158.8 -70.1 108.0 15.0 24.3 47.5 106 105 A D >> - 0 0 49 -2,-0.8 4,-2.0 1,-0.1 3,-1.3 -0.897 26.3-168.4-133.7 101.6 15.5 24.3 51.2 107 106 A P T 34 S+ 0 0 0 0, 0.0 59,-0.8 0, 0.0 33,-0.4 0.570 88.9 64.5 -67.3 -8.4 17.7 27.0 52.9 108 107 A L T 34 S+ 0 0 17 57,-0.2 59,-1.9 58,-0.2 60,-0.4 0.760 114.8 29.1 -76.4 -29.9 17.7 25.1 56.1 109 108 A K T <4 S+ 0 0 77 -3,-1.3 -1,-0.1 56,-0.2 30,-0.1 0.725 89.3 111.5-104.2 -26.1 19.6 22.2 54.5 110 109 A T < - 0 0 0 -4,-2.0 30,-0.6 28,-0.2 56,-0.4 -0.271 50.8-154.3 -66.5 134.7 21.7 23.8 51.7 111 110 A T - 0 0 0 -42,-2.6 3,-0.3 -43,-0.2 -40,-0.2 -0.885 27.1-156.6-112.3 147.4 25.5 23.7 52.2 112 111 A S >> + 0 0 0 -2,-0.4 3,-1.3 1,-0.2 4,-1.2 0.225 64.4 114.7 -93.9 9.4 28.5 25.8 51.1 113 112 A W H >> S+ 0 0 91 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.913 70.7 59.8 -45.4 -52.5 30.8 22.8 51.7 114 113 A G H 3> S+ 0 0 0 -47,-0.8 4,-1.9 -3,-0.3 -1,-0.3 0.753 100.1 55.5 -45.1 -39.0 31.5 22.6 47.9 115 114 A T H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -1,-0.3 0.862 103.1 54.1 -66.5 -40.7 32.9 26.2 47.8 116 115 A G H <>S+ 0 0 0 -4,-2.1 5,-1.3 -5,-0.2 3,-1.0 0.906 110.9 48.4 -66.6 -43.3 43.1 26.7 44.4 123 122 A L H ><5S+ 0 0 6 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.881 105.2 62.8 -60.9 -35.4 45.3 26.9 47.5 124 123 A D H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.666 96.8 55.9 -62.3 -25.3 46.6 23.5 46.4 125 124 A A T <<5S- 0 0 42 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.163 116.7-114.5 -92.9 15.2 48.0 25.0 43.1 126 125 A G T < 5 + 0 0 46 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.705 53.8 169.0 59.8 25.1 50.0 27.6 45.2 127 126 A V < - 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0 0 0 110,-1.9 111,-0.2 1,-0.3 110,-0.1 0.675 68.6 -67.1 62.6 21.9 26.8 31.6 56.8 143 142 A G T 3> S+ 0 0 0 108,-0.2 4,-2.4 109,-0.1 -1,-0.3 0.633 100.6 136.9 70.5 15.0 29.6 29.9 54.9 144 143 A A H <> S+ 0 0 3 -3,-1.9 4,-2.1 1,-0.2 5,-0.2 0.899 70.0 45.4 -65.2 -43.2 29.6 27.3 57.7 145 144 A G H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 112.4 54.9 -59.4 -43.2 29.9 24.3 55.3 146 145 A X H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.929 111.3 40.8 -57.7 -52.1 32.6 26.2 53.4 147 146 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 -1,-0.2 0.812 111.2 56.7 -70.9 -34.7 34.8 26.8 56.4 148 147 A Q H ><5S+ 0 0 23 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.858 106.2 52.0 -61.4 -37.5 34.2 23.3 57.8 149 148 A A H 3<5S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 106.8 54.1 -68.5 -23.8 35.6 22.1 54.4 150 149 A L T 3<5S- 0 0 5 -4,-0.7 31,-2.7 -5,-0.2 -1,-0.2 0.218 131.5 -93.8 -94.1 13.3 38.6 24.4 55.0 151 150 A G T < 5S+ 0 0 26 -3,-1.2 28,-0.4 1,-0.3 -3,-0.2 0.284 77.3 141.6 99.7 -11.4 39.2 22.7 58.4 152 151 A A < - 0 0 2 -5,-2.5 2,-0.6 27,-0.2 -1,-0.3 -0.419 47.1-136.2 -61.2 137.3 37.3 25.0 60.8 153 152 A R E +M 176 0D 94 23,-2.9 23,-2.9 -2,-0.1 2,-0.5 -0.907 26.2 177.1-104.0 118.2 35.7 22.9 63.5 154 153 A L E +M 175 0D 0 -2,-0.6 8,-2.2 21,-0.2 2,-0.3 -0.987 17.4 161.0-125.4 113.1 32.1 24.1 64.1 155 154 A R E -MN 174 161D 59 19,-1.9 18,-2.7 -2,-0.5 19,-1.4 -0.936 33.8-118.1-143.1 160.4 30.3 22.0 66.7 156 155 A D > - 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0 0 94 -2,-1.5 2,-2.1 0, 0.0 3,-0.4 -0.992 45.6-144.0-128.5 117.7 15.2 49.0 -2.2 676 302 B G > + 0 0 18 -2,-0.5 4,-2.1 1,-0.2 5,-0.3 -0.276 46.6 145.5 -82.3 54.1 17.7 51.7 -1.3 677 303 B K H > S+ 0 0 56 -2,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.887 72.4 37.5 -60.5 -45.5 16.8 53.7 -4.3 678 304 B V H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.980 117.0 47.5 -75.7 -55.9 17.3 57.1 -2.6 679 305 B P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.889 115.0 47.6 -50.7 -40.3 20.3 56.4 -0.3 680 306 B I H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 112.5 47.7 -71.6 -39.9 22.2 54.7 -3.2 681 307 B G H X S+ 0 0 14 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.899 113.0 49.1 -68.5 -40.2 21.4 57.6 -5.7 682 308 B V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 3,-0.3 0.950 112.8 48.1 -57.0 -50.1 22.5 60.1 -3.0 683 309 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.883 107.2 56.4 -63.1 -38.0 25.7 58.0 -2.5 684 310 B N H X S+ 0 0 60 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.884 112.2 41.4 -61.0 -37.1 26.4 57.8 -6.2 685 311 B I H >< S+ 0 0 10 -4,-1.5 3,-0.6 -3,-0.3 4,-0.5 0.924 113.4 52.3 -76.7 -45.6 26.4 61.6 -6.5 686 312 B A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.4 0.844 103.3 58.6 -56.6 -40.3 28.3 62.2 -3.3 687 313 B K H ><5S+ 0 0 121 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.791 96.2 62.1 -65.2 -33.2 31.2 59.8 -4.4 688 314 B R T <<5S+ 0 0 131 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.707 113.6 36.5 -59.5 -23.8 31.7 61.9 -7.5 689 315 B Y T < 5S- 0 0 84 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.223 112.9-121.3-111.7 8.0 32.6 64.7 -5.1 690 316 B N T < 5 + 0 0 145 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.849 56.5 158.1 55.8 38.2 34.3 62.4 -2.6 691 317 B K < - 0 0 49 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.2 -0.741 46.2-113.3 -91.8 141.0 31.9 63.4 0.2 692 318 B P - 0 0 26 0, 0.0 -30,-2.5 0, 0.0 2,-0.4 -0.589 34.8-164.8 -69.4 133.1 31.4 61.0 3.2 693 319 B V E -r 662 0E 2 -2,-0.3 14,-3.3 12,-0.2 15,-1.0 -0.985 8.8-174.1-128.3 130.3 27.9 59.7 3.2 694 320 B I E -rt 663 708E 0 -32,-2.1 -30,-2.6 -2,-0.4 2,-0.4 -0.976 11.4-148.8-123.4 132.4 26.2 58.0 6.2 695 321 B G E -rt 664 709E 0 13,-2.7 15,-2.3 -2,-0.4 2,-0.5 -0.823 10.8-160.6-105.9 141.9 22.8 56.3 6.1 696 322 B I E - t 0 710E 0 -32,-2.2 -30,-0.5 -2,-0.4 2,-0.4 -0.890 26.1-167.9-117.8 98.6 20.2 56.0 8.9 697 323 B A E - t 0 711E 28 13,-2.1 15,-2.3 -2,-0.5 2,-0.3 -0.757 9.9-148.7-104.1 122.7 18.0 53.1 7.6 698 324 B G E +st 667 712E 2 -32,-2.6 -30,-1.9 -2,-0.4 2,-0.3 -0.713 26.4 157.4 -93.7 139.9 14.6 52.1 9.2 699 325 B S E - t 0 713E 27 13,-2.2 15,-2.2 -2,-0.3 -30,-0.2 -0.960 51.3-120.4-153.3 166.5 13.3 48.5 9.2 700 326 B L S S+ 0 0 84 -32,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.810 106.0 7.0 -77.7 -35.7 10.9 46.1 10.9 701 327 B T 0 0 113 1,-0.1 -1,-0.2 11,-0.1 11,-0.1 -0.885 360.0 360.0-135.0 164.7 13.9 43.9 11.8 702 328 B A 0 0 80 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.178 360.0 360.0-127.0 360.0 17.7 44.4 11.4 703 ! 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 0.0 704 336 B H 0 0 172 0, 0.0 3,-0.1 0, 0.0 -21,-0.1 0.000 360.0 360.0 360.0 36.7 26.4 50.2 -1.3 705 337 B G + 0 0 45 1,-0.7 -12,-0.2 -22,-0.1 2,-0.2 0.047 360.0 117.4 114.6 -20.6 28.5 53.4 -1.7 706 338 B L - 0 0 32 1,-0.1 -1,-0.7 -14,-0.1 -12,-0.2 -0.546 65.0-141.8 -71.2 144.7 27.5 54.7 1.7 707 339 B D S S- 0 0 69 -14,-3.3 2,-0.3 1,-0.3 -13,-0.2 0.857 82.7 -2.2 -76.1 -34.5 30.5 54.9 4.0 708 340 B A E -t 694 0E 2 -15,-1.0 -13,-2.7 -346,-0.1 2,-0.4 -0.980 61.1-162.0-153.5 150.8 28.4 53.7 6.9 709 341 B V E -t 695 0E 58 -2,-0.3 2,-0.4 -15,-0.2 -13,-0.2 -0.989 5.8-169.1-137.3 133.2 24.8 52.6 7.6 710 342 B F E -t 696 0E 10 -15,-2.3 -13,-2.1 -2,-0.4 2,-0.3 -0.970 19.4-129.0-119.4 144.2 23.1 52.4 11.0 711 343 B S E -t 697 0E 60 -2,-0.4 2,-0.4 -15,-0.2 -13,-0.2 -0.666 14.7-166.8-101.8 145.9 19.7 50.8 11.6 712 344 B V E -t 698 0E 4 -15,-2.3 -13,-2.2 -2,-0.3 2,-0.4 -0.998 18.7-139.7-125.0 125.7 16.6 52.1 13.4 713 345 B I E +t 699 0E 61 -2,-0.4 2,-0.3 -15,-0.2 -13,-0.2 -0.730 35.3 158.8 -85.1 134.8 13.8 49.6 14.2 714 346 B Y - 0 0 10 -15,-2.2 2,-0.3 -2,-0.4 9,-0.1 -0.930 23.8-147.2-146.6 178.3 10.3 51.0 13.7 715 347 B T - 0 0 82 -2,-0.3 2,-0.3 7,-0.2 11,-0.1 -0.833 39.9 -68.9-137.7 174.2 6.7 50.1 13.1 716 348 B I - 0 0 88 -2,-0.3 2,-1.7 1,-0.1 -329,-0.2 -0.553 51.0-119.2 -72.0 134.6 3.5 51.2 11.4 717 349 B C + 0 0 49 -331,-2.0 6,-0.1 -2,-0.3 -1,-0.1 -0.239 65.3 133.2 -82.8 49.1 2.1 54.3 13.0 718 350 B T S S+ 0 0 134 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.053 82.5 42.8 -88.4 30.2 -1.4 53.1 14.2 719 351 B L S S- 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.442 83.7-149.9-127.0 -41.0 -0.6 54.8 17.6 720 352 B E S > S+ 0 0 127 1,-0.0 4,-2.0 0, 0.0 5,-0.1 -0.138 98.4 78.4 79.5 -36.4 1.0 58.2 16.6 721 353 B D H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.819 91.1 52.0 -51.5 -36.6 2.8 57.5 19.9 722 354 B A H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 -7,-0.2 0.808 103.2 56.0 -75.0 -32.0 4.7 55.2 17.5 723 355 B L H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 109.0 47.2 -59.2 -44.7 5.3 58.3 15.2 724 356 B K H X S+ 0 0 98 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.888 112.8 48.6 -63.0 -42.7 6.8 60.0 18.1 725 357 B N H X S+ 0 0 58 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.906 110.1 50.6 -67.7 -42.2 8.9 56.9 18.9 726 358 B A H X S+ 0 0 4 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.942 112.7 48.3 -55.1 -47.7 10.1 56.6 15.3 727 359 B S H X S+ 0 0 46 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.937 113.1 47.5 -55.8 -47.5 11.0 60.3 15.5 728 360 B E H X S+ 0 0 66 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.894 110.7 50.8 -65.8 -44.7 12.9 59.8 18.8 729 361 B N H X S+ 0 0 63 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.888 112.4 45.8 -66.5 -38.7 14.8 56.7 17.6 730 362 B V H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.944 115.1 49.0 -61.2 -48.0 16.0 58.5 14.4 731 363 B R H X S+ 0 0 59 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.958 113.1 45.4 -59.9 -51.2 17.0 61.5 16.5 732 364 B X H X S+ 0 0 68 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.890 113.9 48.1 -63.4 -40.0 18.8 59.5 19.0 733 365 B T H X S+ 0 0 25 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 111.2 51.8 -59.4 -47.4 20.7 57.3 16.4 734 366 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.881 105.8 55.4 -56.4 -42.9 21.6 60.5 14.6 735 367 B R H X S+ 0 0 68 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.908 110.2 45.6 -53.0 -44.8 22.9 61.9 17.9 736 368 B N H X S+ 0 0 20 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.810 109.3 54.2 -76.3 -31.3 25.2 58.9 18.3 737 369 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 112.0 44.9 -64.9 -46.2 26.4 59.0 14.7 738 370 B A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.883 111.0 52.8 -64.4 -42.7 27.4 62.7 15.2 739 371 B A H X S+ 0 0 7 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.848 110.8 48.7 -58.7 -39.8 29.1 61.9 18.5 740 372 B T H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.879 108.9 51.4 -70.6 -43.5 31.1 59.2 16.7 741 373 B L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.955 111.6 49.0 -54.0 -49.7 32.1 61.5 13.9 742 374 B K H X S+ 0 0 87 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.894 108.7 52.1 -56.8 -44.8 33.2 64.0 16.5 743 375 B A H < S+ 0 0 2 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.886 107.3 54.6 -56.7 -43.9 35.2 61.3 18.3 744 376 B G H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.908 102.1 55.9 -57.3 -47.9 36.8 60.5 14.9 745 377 B Q H 3< S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.882 103.9 55.6 -45.8 -43.0 38.0 64.1 14.5 746 378 B Q T 3< 0 0 129 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.518 360.0 360.0 -76.8 -8.6 39.8 63.9 17.8 747 379 B L < 0 0 57 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.176 360.0 360.0 -86.4 360.0 41.7 60.9 16.6